#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i06 s PRO 2 N 0.00 1.31 0.36 0.00 0.02 -1.26 -4.92 135.00 130.51 3i06 s PRO 2 Ca 0.00 1.59 0.06 0.00 0.02 0.00 0.00 61.00 62.67 3i06 s PRO 2 Cb 0.00 -1.76 0.68 0.00 0.02 0.00 0.00 34.50 33.45 3i06 s PRO 2 CO 0.00 -2.42 1.91 0.00 -0.33 0.00 0.00 177.00 176.16 3i06 h ALA 3 N -1.50 1.45 -2.63 -1.55 0.00 -1.99 -3.45 119.26 109.59 3i06 h ALA 3 Ca -0.44 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 3i06 h ALA 3 Cb 1.27 -0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 3i06 h ALA 3 CO 0.44 0.39 -0.24 0.00 0.00 0.00 0.00 179.25 179.84 3i06 s ALA 4 N -4.98 -0.94 -0.03 0.00 0.00 -1.26 -0.35 121.76 114.21 3i06 s ALA 4 Ca -0.07 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 3i06 s ALA 4 Cb 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3i06 s ALA 4 CO 0.75 -0.23 0.12 0.08 0.00 0.00 0.00 175.76 176.48 3i06 s VAL 5 N -0.51 0.03 -0.25 0.00 1.01 -0.49 -4.99 120.40 115.19 3i06 s VAL 5 Ca -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3i06 s VAL 5 Cb -0.04 -0.24 0.12 0.00 0.00 0.00 0.00 36.38 36.22 3i06 s VAL 5 CO 0.03 -0.12 0.27 -0.62 0.00 0.00 0.00 175.10 174.66 3i06 s ASP 6 N -0.35 1.41 0.33 3.32 3.68 -1.26 -0.96 116.67 122.84 3i06 s ASP 6 Ca -0.04 -0.42 0.25 0.00 2.13 0.00 0.00 52.55 54.47 3i06 s ASP 6 Cb -0.03 0.52 1.17 0.00 -1.45 0.00 0.00 42.92 43.13 3i06 s ASP 6 CO 0.00 -0.35 1.76 -0.50 0.13 0.00 0.00 175.17 176.21 3i06 h TRP 7 N 8.28 0.00 -0.59 -5.34 4.06 -1.57 -0.57 115.95 120.22 3i06 h TRP 7 Ca -0.16 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.80 3i06 h TRP 7 Cb 1.12 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.25 3i06 h TRP 7 CO 0.20 0.00 0.39 0.00 -3.56 0.00 0.00 178.44 175.47 3i06 h ARG 8 N 0.00 0.78 0.00 0.49 3.08 -1.96 -2.07 114.38 114.70 3i06 h ARG 8 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i06 h ARG 8 Cb 0.22 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i06 h ARG 8 CO 0.00 0.52 -0.02 0.00 -1.07 0.00 0.00 179.97 179.40 3i06 h ALA 9 N 1.63 1.02 -0.00 0.04 0.00 -1.50 -1.31 119.26 119.14 3i06 h ALA 9 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i06 h ALA 9 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i06 h ALA 9 CO -0.05 0.02 -0.12 0.54 0.00 0.00 0.00 179.25 179.64 3i06 n ARG 10 N -3.14 0.55 -1.04 0.00 5.12 -0.79 -4.92 116.66 112.44 3i06 n ARG 10 Ca -0.01 -0.18 -0.01 0.00 -1.93 0.00 0.00 57.85 55.72 3i06 n ARG 10 Cb 0.23 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 3i06 n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i06 n GLY 11 N 1.32 0.50 0.52 -0.13 0.00 -0.50 -4.93 105.19 101.96 3i06 n GLY 11 Ca 0.13 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.50 3i06 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i06 n ALA 12 N 1.02 2.74 -3.39 4.61 0.00 -1.12 -4.88 120.51 119.49 3i06 n ALA 12 Ca -0.01 -0.50 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 3i06 n ALA 12 Cb 0.05 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.27 3i06 n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i06 s VAL 13 N -2.14 2.21 0.92 0.00 1.01 -1.26 -3.97 120.40 117.16 3i06 s VAL 13 Ca 0.32 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 3i06 s VAL 13 Cb 0.20 -1.87 0.14 0.00 0.00 0.00 0.00 36.38 34.85 3i06 s VAL 13 CO 0.39 0.55 1.10 0.42 0.00 0.00 0.00 175.10 177.55 3i06 s THR 14 N 0.56 2.46 0.75 3.92 -4.23 -1.26 -4.99 115.64 112.86 3i06 s THR 14 Ca -0.13 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.38 3i06 s THR 14 Cb -0.17 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.00 3i06 s THR 14 CO 0.04 -0.20 0.92 0.00 -0.54 0.00 0.00 174.62 174.84 3i06 n ALA 15 N -3.91 -0.53 -1.94 3.99 0.00 -1.26 -4.92 120.51 111.94 3i06 n ALA 15 Ca 0.06 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 3i06 n ALA 15 Cb 0.56 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 3i06 n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i06 s VAL 16 N -1.93 2.91 0.34 0.00 1.01 -1.26 -5.01 120.40 116.46 3i06 s VAL 16 Ca 0.71 0.75 0.04 0.00 0.00 0.00 0.00 61.98 63.48 3i06 s VAL 16 Cb -0.33 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.62 3i06 s VAL 16 CO 0.53 0.11 0.35 0.29 0.00 0.00 0.00 175.10 176.37 3i06 n LYS 17 N 2.58 0.90 -3.71 2.72 5.02 -1.26 -4.63 118.16 119.78 3i06 n LYS 17 Ca 0.07 -2.04 -0.30 0.00 -2.02 0.00 0.00 58.31 54.03 3i06 n LYS 17 Cb 0.41 0.08 -0.15 0.00 -0.02 0.00 0.00 35.03 35.35 3i06 n LYS 17 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i06 s ASP 18 N -3.07 3.96 0.49 4.39 3.68 -1.26 -1.32 116.67 123.55 3i06 s ASP 18 Ca 0.26 -1.63 0.29 0.00 2.13 0.00 0.00 52.55 53.60 3i06 s ASP 18 Cb -0.02 -0.81 1.02 0.00 -1.45 0.00 0.00 42.92 41.66 3i06 s ASP 18 CO 0.17 -0.41 1.86 0.06 0.13 0.00 0.00 175.17 176.97 3i06 h GLN 19 N 8.09 0.00 0.00 4.34 3.07 -1.56 -3.47 115.11 125.57 3i06 h GLN 19 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.60 3i06 h GLN 19 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 3i06 h GLN 19 CO 0.47 0.08 0.00 0.41 0.09 0.00 0.00 178.83 179.88 3i06 n GLY 20 N 0.30 0.75 2.05 0.06 0.00 -1.26 -3.79 105.19 103.29 3i06 n GLY 20 Ca 0.01 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 3i06 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i06 n GLN 21 N 0.00 1.94 -4.50 1.61 6.02 0.19 -4.80 117.38 117.84 3i06 n GLN 21 Ca 0.00 -1.64 -0.21 0.00 -0.01 0.00 0.00 57.00 55.15 3i06 n GLN 21 Cb 0.00 -1.76 -0.15 0.00 1.02 0.00 0.00 30.24 29.35 3i06 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i06 n GLY 23 N 2.98 4.28 1.24 0.00 0.00 -0.04 -4.51 105.19 109.14 3i06 n GLY 23 Ca -0.16 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.33 3i06 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i06 n SER 24 N 2.67 4.25 -0.25 1.61 3.41 -1.26 -2.99 113.62 121.05 3i06 n SER 24 Ca 0.66 -2.54 0.16 0.00 -0.26 0.00 0.00 58.87 56.89 3i06 n SER 24 Cb 0.39 -0.51 0.45 0.00 -0.26 0.00 0.00 64.21 64.28 3i06 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i06 h TRP 26 N 0.53 0.87 -0.16 0.00 5.08 -1.81 0.69 115.95 121.15 3i06 h TRP 26 Ca 0.47 -0.01 -0.11 0.00 1.08 0.00 0.00 58.89 60.32 3i06 h TRP 26 Cb 0.99 -0.28 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 3i06 h TRP 26 CO -0.00 0.61 -0.31 0.00 -1.28 0.00 0.00 178.44 177.45 3i06 h ALA 27 N 1.49 0.25 -0.52 0.11 0.00 -1.28 -1.96 119.26 117.35 3i06 h ALA 27 Ca 0.23 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3i06 h ALA 27 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3i06 h ALA 27 CO -0.04 0.28 0.14 0.74 0.00 0.00 0.00 179.25 180.37 3i06 h PHE 28 N 0.13 0.81 -0.06 0.00 -1.00 -0.92 -0.55 116.94 115.36 3i06 h PHE 28 Ca 0.01 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 3i06 h PHE 28 Cb 0.90 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.22 3i06 h PHE 28 CO 0.10 0.68 0.01 1.03 -1.61 0.00 0.00 178.31 178.52 3i06 h SER 29 N 0.77 0.09 -0.05 2.17 0.87 -0.85 0.45 113.55 117.00 3i06 h SER 29 Ca 0.17 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3i06 h SER 29 Cb 0.27 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3i06 h SER 29 CO -0.00 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 176.62 3i06 h ALA 30 N 0.78 0.07 -0.49 6.23 0.00 -1.21 -1.83 119.26 122.80 3i06 h ALA 30 Ca 0.02 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3i06 h ALA 30 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i06 h ALA 30 CO 0.00 -0.28 -0.21 0.82 0.00 0.00 0.00 179.25 179.58 3i06 h ILE 31 N -0.18 1.27 -0.90 0.00 1.08 -1.12 -1.53 117.51 116.12 3i06 h ILE 31 Ca 0.02 -1.38 -0.00 0.00 -0.39 0.00 0.00 64.86 63.10 3i06 h ILE 31 Cb 0.30 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 3i06 h ILE 31 CO 0.00 0.48 0.54 1.23 -0.69 0.00 0.00 178.15 179.71 3i06 h GLY 32 N 0.87 1.30 0.94 5.37 0.00 -0.84 0.98 103.07 111.69 3i06 h GLY 32 Ca 0.11 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.92 3i06 h GLY 32 CO 0.07 0.52 0.27 -0.57 0.00 0.00 0.00 176.54 176.83 3i06 h ASN 33 N 1.24 0.45 -0.66 0.19 -0.73 -1.00 -2.30 115.58 112.76 3i06 h ASN 33 Ca 0.32 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.49 3i06 h ASN 33 Cb -0.06 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 3i06 h ASN 33 CO -0.06 0.32 0.40 0.58 -0.37 0.00 0.00 177.43 178.30 3i06 h VAL 34 N 0.54 1.19 -0.54 2.57 2.07 -0.51 -1.38 116.25 120.19 3i06 h VAL 34 Ca 0.17 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3i06 h VAL 34 Cb -0.02 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 3i06 h VAL 34 CO -0.06 0.20 0.21 -0.33 0.02 0.00 0.00 177.57 177.61 3i06 h GLU 35 N 0.90 0.39 -0.20 1.57 5.08 -0.54 0.13 114.58 121.91 3i06 h GLU 35 Ca 0.24 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3i06 h GLU 35 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3i06 h GLU 35 CO -0.04 0.26 0.01 0.00 -1.00 0.00 0.00 179.01 178.23 3i06 h GLN 37 N 0.11 1.14 -0.57 0.00 1.08 -0.84 -1.05 115.11 114.98 3i06 h GLN 37 Ca 0.06 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 3i06 h GLN 37 Cb 0.37 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3i06 h GLN 37 CO 0.01 0.84 0.16 2.35 -0.95 0.00 0.00 178.83 181.24 3i06 h TRP 38 N 1.14 0.93 -0.02 2.96 2.91 -0.64 -0.59 115.95 122.65 3i06 h TRP 38 Ca 0.29 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.21 3i06 h TRP 38 Cb 0.03 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.41 3i06 h TRP 38 CO 0.01 0.79 0.01 0.35 -1.03 0.00 0.00 178.44 178.56 3i06 h PHE 39 N 0.80 0.02 0.00 2.65 3.04 -1.14 -2.90 116.94 119.42 3i06 h PHE 39 Ca 0.18 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 3i06 h PHE 39 Cb 0.31 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 3i06 h PHE 39 CO 0.02 0.01 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.17 3i06 h LEU 40 N 0.02 0.00 -1.03 0.59 3.38 -0.87 -1.62 115.31 115.78 3i06 h LEU 40 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i06 h LEU 40 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i06 h LEU 40 CO -0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3i06 n ALA 41 N -2.27 2.63 -0.97 1.53 0.00 -0.26 -4.85 120.51 116.32 3i06 n ALA 41 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3i06 n ALA 41 Cb 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3i06 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i06 n GLY 42 N 0.37 1.13 3.23 0.00 0.00 -0.62 -5.05 105.19 104.25 3i06 n GLY 42 Ca 0.05 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 3i06 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i06 s HIS 43 N -2.23 1.20 0.65 1.61 3.76 -1.14 -5.06 115.29 114.08 3i06 s HIS 43 Ca 0.00 -0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 53.97 3i06 s HIS 43 Cb 0.00 -0.62 -0.01 0.00 1.11 0.00 0.00 32.58 33.05 3i06 s HIS 43 CO 0.00 0.05 1.30 -2.14 -0.85 0.00 0.00 174.74 173.10 3i06 s PRO 44 N -3.60 2.55 0.05 8.40 0.02 -1.26 -4.28 135.00 136.89 3i06 s PRO 44 Ca 0.14 2.08 -0.31 0.00 0.02 0.00 0.00 61.00 62.93 3i06 s PRO 44 Cb 0.02 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 3i06 s PRO 44 CO -0.00 -1.60 1.52 -1.17 -0.33 0.00 0.00 177.00 175.42 3i06 s LEU 45 N -4.36 4.35 -0.04 -5.54 2.96 -1.26 -4.63 118.68 110.16 3i06 s LEU 45 Ca 0.83 2.34 0.02 0.00 -0.22 0.00 0.00 54.13 57.09 3i06 s LEU 45 Cb -0.38 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.76 3i06 s LEU 45 CO 0.40 -0.79 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.67 3i06 s THR 46 N 2.27 0.72 0.07 3.68 2.01 -1.26 -5.10 115.64 118.02 3i06 s THR 46 Ca 0.69 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 3i06 s THR 46 Cb -0.37 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 3i06 s THR 46 CO 0.30 0.24 1.10 0.21 -0.69 0.00 0.00 174.62 175.78 3i06 s ASN 47 N 0.50 7.23 0.42 3.53 2.47 -1.26 -4.80 114.94 123.04 3i06 s ASN 47 Ca -0.08 1.90 0.07 0.00 0.42 0.00 0.00 52.86 55.18 3i06 s ASN 47 Cb -0.11 -2.58 -0.06 0.00 -1.45 0.00 0.00 41.25 37.05 3i06 s ASN 47 CO 0.01 -0.33 0.12 -0.76 -3.72 0.00 0.00 177.10 172.42 3i06 s LEU 48 N 0.70 2.97 -0.40 3.21 1.43 -1.26 -1.01 118.68 124.32 3i06 s LEU 48 Ca 0.54 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 3i06 s LEU 48 Cb -0.26 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.77 3i06 s LEU 48 CO 0.30 -0.55 0.41 -0.55 0.23 0.00 0.00 176.35 176.19 3i06 s SER 49 N -3.85 6.18 0.21 2.29 0.15 0.07 -3.99 113.70 114.76 3i06 s SER 49 Ca 0.37 -0.60 -0.05 0.00 0.70 0.00 0.00 55.95 56.36 3i06 s SER 49 Cb 0.06 -2.21 0.16 0.00 -1.71 0.00 0.00 66.02 62.32 3i06 s SER 49 CO 0.20 -0.52 1.61 -0.33 1.20 0.00 0.00 173.24 175.41 3i06 h GLU 50 N 8.66 0.80 -0.30 5.44 3.07 -1.87 -3.25 114.58 127.13 3i06 h GLU 50 Ca -0.27 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.25 3i06 h GLU 50 Cb 1.12 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 3i06 h GLU 50 CO 0.77 0.95 0.14 0.37 -1.40 0.00 0.00 179.01 179.84 3i06 h GLN 51 N 0.69 0.41 -0.42 2.33 5.75 -1.84 -1.10 115.11 120.93 3i06 h GLN 51 Ca 0.09 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.64 3i06 h GLN 51 Cb 0.75 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.13 3i06 h GLN 51 CO 0.06 0.33 -0.13 1.98 -2.65 0.00 0.00 178.83 178.41 3i06 h MET 52 N 0.41 -0.03 -0.00 1.69 4.05 -1.79 0.57 114.93 119.82 3i06 h MET 52 Ca 0.11 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3i06 h MET 52 Cb 0.06 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 3i06 h MET 52 CO -0.01 -0.02 -0.00 -0.07 0.23 0.00 0.00 176.91 177.03 3i06 h LEU 53 N -0.03 0.00 -0.61 3.39 3.38 -1.44 -1.14 115.31 118.86 3i06 h LEU 53 Ca 0.21 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3i06 h LEU 53 Cb 0.35 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3i06 h LEU 53 CO -0.45 0.41 0.32 0.58 0.09 0.00 0.00 178.44 179.38 3i06 h VAL 54 N -0.41 0.93 0.16 1.22 2.07 -0.83 -1.75 116.25 117.64 3i06 h VAL 54 Ca 0.00 -0.20 -0.30 0.00 0.82 0.00 0.00 66.70 67.02 3i06 h VAL 54 Cb 0.41 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3i06 h VAL 54 CO 0.00 0.11 -1.39 0.28 0.02 0.00 0.00 177.57 176.59 3i06 h SER 55 N 0.59 0.53 0.00 0.57 0.02 -0.99 -3.36 113.55 110.91 3i06 h SER 55 Ca 0.28 -0.61 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 3i06 h SER 55 Cb 0.21 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3i06 h SER 55 CO -0.19 1.49 -1.70 0.00 -1.14 0.00 0.00 176.83 175.28 3i06 s ASP 57 N -3.96 6.20 0.00 0.00 2.15 -0.67 -4.86 116.67 115.53 3i06 s ASP 57 Ca -0.05 -0.65 0.30 0.00 0.43 0.00 0.00 52.55 52.57 3i06 s ASP 57 Cb 0.06 -2.53 1.40 0.00 -0.30 0.00 0.00 42.92 41.55 3i06 s ASP 57 CO 0.52 -1.73 1.95 0.29 -0.17 0.00 0.00 175.17 176.02 3i06 n LYS 58 N 9.01 1.08 -0.07 4.34 4.76 -1.26 -2.96 118.16 133.07 3i06 n LYS 58 Ca 0.05 -0.37 -0.13 0.00 -2.87 0.00 0.00 58.31 54.98 3i06 n LYS 58 Cb 0.49 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 3i06 n LYS 58 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3i06 h THR 59 N 0.91 1.28 -5.24 -0.18 2.02 -1.95 -3.45 112.91 106.30 3i06 h THR 59 Ca 0.00 -1.72 -0.47 0.00 0.77 0.00 0.00 66.41 64.99 3i06 h THR 59 Cb 0.28 1.62 0.11 0.00 -1.74 0.00 0.00 68.15 68.42 3i06 h THR 59 CO 0.00 0.56 0.18 0.47 0.37 0.00 0.00 175.52 177.10 3i06 n ASP 60 N -4.00 1.12 -1.37 4.18 8.00 -1.16 -5.03 116.55 118.29 3i06 n ASP 60 Ca -0.04 -2.02 -0.04 0.00 0.71 0.00 0.00 54.79 53.40 3i06 n ASP 60 Cb 0.61 -0.74 0.11 0.00 -0.02 0.00 0.00 41.12 41.08 3i06 n ASP 60 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3i06 n SER 61 N -3.11 2.60 0.00 -2.24 7.64 0.02 -4.95 113.62 113.59 3i06 n SER 61 Ca 0.17 -3.43 0.00 0.00 1.01 0.00 0.00 58.87 56.62 3i06 n SER 61 Cb 0.60 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 3i06 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i06 n GLY 62 N -0.73 3.56 0.00 0.23 0.00 -1.22 -0.77 105.19 106.26 3i06 n GLY 62 Ca 0.24 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3i06 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i06 n SER 64 N -1.15 1.40 0.00 0.00 7.64 0.05 -0.86 113.62 120.70 3i06 n SER 64 Ca 0.14 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.87 3i06 n SER 64 Cb 0.14 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3i06 n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i06 n GLY 65 N 1.34 0.87 0.00 0.23 0.00 -1.08 -4.95 105.19 101.61 3i06 n GLY 65 Ca 0.12 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3i06 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i06 n GLY 66 N -1.11 -1.84 2.97 -0.02 0.00 -1.26 -0.80 105.19 103.13 3i06 n GLY 66 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 3i06 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i06 s LEU 67 N 0.00 1.80 0.29 0.99 1.43 -1.26 -4.77 118.68 117.17 3i06 s LEU 67 Ca 0.00 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3i06 s LEU 67 Cb 0.00 -0.43 0.49 0.00 0.03 0.00 0.00 46.19 46.29 3i06 s LEU 67 CO 0.00 0.05 1.91 0.24 0.23 0.00 0.00 176.35 178.78 3i06 h MET 68 N 6.34 1.04 -0.51 1.70 2.86 -1.98 -1.47 114.93 122.91 3i06 h MET 68 Ca -0.32 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.18 3i06 h MET 68 Cb 1.17 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3i06 h MET 68 CO 0.49 0.69 0.01 -0.91 1.06 0.00 0.00 176.91 178.25 3i06 h ASN 69 N 1.07 0.83 -0.27 1.22 2.35 -1.96 -0.17 115.58 118.66 3i06 h ASN 69 Ca 0.40 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 3i06 h ASN 69 Cb 0.17 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3i06 h ASN 69 CO -0.15 0.88 -0.24 0.78 -1.65 0.00 0.00 177.43 177.05 3i06 h ASN 70 N 0.80 0.76 -0.56 5.81 -0.26 -1.79 -2.65 115.58 117.68 3i06 h ASN 70 Ca 0.15 -0.28 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 3i06 h ASN 70 Cb 0.46 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.49 3i06 h ASN 70 CO 0.02 0.98 0.33 0.00 -1.06 0.00 0.00 177.43 177.70 3i06 h ALA 71 N 1.08 0.72 -0.72 -0.83 0.00 -0.51 -0.11 119.26 118.88 3i06 h ALA 71 Ca 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i06 h ALA 71 Cb 0.75 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3i06 h ALA 71 CO 0.06 0.21 0.25 0.74 0.00 0.00 0.00 179.25 180.51 3i06 h PHE 72 N 0.76 1.12 -0.50 0.00 0.04 -1.03 -1.47 116.94 115.85 3i06 h PHE 72 Ca 0.20 -0.09 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 3i06 h PHE 72 Cb -0.00 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.80 3i06 h PHE 72 CO -0.02 0.87 -0.10 0.93 -0.60 0.00 0.00 178.31 179.39 3i06 h GLU 73 N 1.06 0.96 -0.52 1.51 4.39 -1.09 -2.85 114.58 118.05 3i06 h GLU 73 Ca 0.24 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3i06 h GLU 73 Cb 0.25 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3i06 h GLU 73 CO -0.01 1.03 0.33 2.35 -1.16 0.00 0.00 179.01 181.54 3i06 h TRP 74 N 0.82 0.62 -0.12 4.33 7.01 -0.65 0.80 115.95 128.76 3i06 h TRP 74 Ca 0.13 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.19 3i06 h TRP 74 Cb 0.66 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.47 3i06 h TRP 74 CO 0.05 0.37 -0.15 0.82 -2.79 0.00 0.00 178.44 176.74 3i06 h ILE 75 N 0.66 0.60 -0.13 2.65 2.04 -1.21 0.73 117.51 122.85 3i06 h ILE 75 Ca 0.20 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 3i06 h ILE 75 Cb -0.04 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3i06 h ILE 75 CO -0.06 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.61 3i06 h VAL 76 N -0.19 1.31 0.10 1.67 2.07 -1.30 0.23 116.25 120.15 3i06 h VAL 76 Ca 0.09 -1.08 -0.30 0.00 0.82 0.00 0.00 66.70 66.24 3i06 h VAL 76 Cb 0.32 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3i06 h VAL 76 CO -0.23 0.31 -1.50 1.56 0.02 0.00 0.00 177.57 177.73 3i06 h GLN 77 N -0.07 0.21 0.00 1.57 4.20 -0.73 -3.25 115.11 117.02 3i06 h GLN 77 Ca 0.03 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 3i06 h GLN 77 Cb 0.51 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 3i06 h GLN 77 CO 0.02 1.05 -1.72 0.39 -0.67 0.00 0.00 178.83 177.91 3i06 n GLU 78 N -3.41 0.52 -0.10 1.46 4.71 0.21 -4.66 120.64 119.37 3i06 n GLU 78 Ca -0.15 -0.14 0.09 0.00 -0.01 0.00 0.00 57.16 56.96 3i06 n GLU 78 Cb 1.03 -1.37 0.13 0.00 -1.01 0.00 0.00 31.44 30.23 3i06 n GLU 78 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3i06 n ASN 79 N -2.06 2.21 -2.43 1.62 4.05 -0.87 -4.99 115.26 112.79 3i06 n ASN 79 Ca -0.04 -3.04 -0.19 0.00 0.45 0.00 0.00 54.58 51.77 3i06 n ASN 79 Cb 0.43 -0.42 -0.01 0.00 1.23 0.00 0.00 39.78 41.01 3i06 n ASN 79 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3i06 n ASN 80 N -1.35 -5.40 0.00 1.20 3.02 -1.12 -1.34 115.26 110.26 3i06 n ASN 80 Ca 0.15 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3i06 n ASN 80 Cb 0.64 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 3i06 n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i06 n GLY 81 N -0.98 1.78 3.75 7.41 0.00 0.01 -4.92 105.19 112.25 3i06 n GLY 81 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3i06 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i06 s ALA 82 N -3.56 3.34 -0.19 4.61 0.00 -0.45 -1.01 121.76 124.50 3i06 s ALA 82 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3i06 s ALA 82 Cb 0.00 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.02 3i06 s ALA 82 CO 0.00 0.12 -0.18 0.08 0.00 0.00 0.00 175.76 175.78 3i06 s VAL 83 N -0.56 2.00 0.60 0.00 1.01 -0.37 -4.90 120.40 118.18 3i06 s VAL 83 Ca 0.41 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 3i06 s VAL 83 Cb -0.23 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3i06 s VAL 83 CO 0.28 0.44 1.05 -0.31 0.00 0.00 0.00 175.10 176.56 3i06 s TYR 84 N 1.29 3.08 0.60 5.22 2.02 -1.26 -0.48 117.35 127.82 3i06 s TYR 84 Ca 0.03 1.49 -0.18 0.00 -0.37 0.00 0.00 57.07 58.03 3i06 s TYR 84 Cb -0.14 -2.95 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 3i06 s TYR 84 CO -0.11 -1.03 1.18 0.95 -1.57 0.00 0.00 175.55 174.97 3i06 s THR 85 N -2.58 2.78 0.16 -0.71 -4.23 -0.01 -0.75 115.64 110.30 3i06 s THR 85 Ca 0.62 0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 61.44 3i06 s THR 85 Cb -0.15 -3.14 0.04 0.00 1.34 0.00 0.00 72.50 70.60 3i06 s THR 85 CO 0.39 -0.13 1.75 -0.08 -0.54 0.00 0.00 174.62 176.02 3i06 h GLU 86 N 0.75 0.30 -0.90 3.99 4.57 -1.20 -2.00 114.58 120.09 3i06 h GLU 86 Ca -0.50 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.69 3i06 h GLU 86 Cb 1.28 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 3i06 h GLU 86 CO 0.55 0.20 0.59 -0.44 -1.18 0.00 0.00 179.01 178.73 3i06 h ASP 87 N 0.31 0.99 1.03 1.04 3.32 -1.92 -1.62 116.42 119.57 3i06 h ASP 87 Ca 0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3i06 h ASP 87 Cb 0.17 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3i06 h ASP 87 CO -0.19 0.70 -0.39 -1.54 -1.72 0.00 0.00 179.24 176.11 3i06 n SER 88 N -4.42 0.68 -3.10 6.45 3.41 -1.06 -4.35 113.62 111.22 3i06 n SER 88 Ca 0.11 0.25 -0.20 0.00 -0.26 0.00 0.00 58.87 58.77 3i06 n SER 88 Cb 0.07 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3i06 n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i06 n TYR 89 N -2.07 -1.19 -1.71 7.33 -0.00 -0.78 -4.68 117.16 114.07 3i06 n TYR 89 Ca 0.04 -3.07 -0.30 0.00 -0.00 0.00 0.00 57.90 54.57 3i06 n TYR 89 Cb 0.42 0.19 0.07 0.00 -0.00 0.00 0.00 39.34 40.02 3i06 n TYR 89 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3i06 s PRO 90 N -0.58 2.51 -0.15 2.98 0.04 -0.65 -4.36 135.00 134.78 3i06 s PRO 90 Ca 0.34 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 3i06 s PRO 90 Cb 0.16 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 3i06 s PRO 90 CO -0.15 -1.31 1.22 -0.47 0.04 0.00 0.00 177.00 176.33 3i06 s TYR 91 N -3.24 2.98 0.00 0.56 5.04 -1.26 -4.69 117.35 116.74 3i06 s TYR 91 Ca 0.59 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 3i06 s TYR 91 Cb -0.13 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.73 3i06 s TYR 91 CO 0.53 -1.45 0.72 0.00 -1.34 0.00 0.00 175.55 174.02 3i06 n ALA 92 N 6.31 2.06 -0.22 3.97 0.00 -1.26 -4.76 120.51 126.60 3i06 n ALA 92 Ca 0.13 -0.72 0.09 0.00 0.00 0.00 0.00 53.44 52.94 3i06 n ALA 92 Cb 0.45 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.15 3i06 n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i06 n SER 93 N -0.24 3.51 0.29 0.00 7.64 -1.26 -4.62 113.62 118.95 3i06 n SER 93 Ca 0.00 -1.99 0.16 0.00 1.01 0.00 0.00 58.87 58.05 3i06 n SER 93 Cb 0.16 -0.37 0.90 0.00 -1.01 0.00 0.00 64.21 63.90 3i06 n SER 93 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3i06 h GLY 94 N 3.48 0.00 -2.79 0.23 0.00 -1.86 0.20 103.07 102.33 3i06 h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i06 h GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3i06 n GLU 95 N -3.63 3.21 -0.48 4.80 1.02 -1.26 -0.63 120.64 123.66 3i06 n GLU 95 Ca -0.03 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.50 3i06 n GLU 95 Cb 0.14 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 3i06 n GLU 95 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i06 n GLY 96 N 1.29 0.75 3.16 0.62 0.00 0.06 -4.88 105.19 106.19 3i06 n GLY 96 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3i06 n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i06 s ILE 97 N -2.52 2.89 -0.21 -0.61 1.01 -1.25 -4.92 121.20 115.59 3i06 s ILE 97 Ca 0.00 -1.42 -0.27 0.00 0.00 0.00 0.00 60.65 58.96 3i06 s ILE 97 Cb 0.00 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 3i06 s ILE 97 CO 0.00 -0.10 0.95 -0.55 0.00 0.00 0.00 174.94 175.24 3i06 s SER 98 N 1.24 7.03 0.76 3.58 0.15 -1.26 -4.16 113.70 121.04 3i06 s SER 98 Ca -0.06 1.29 -0.15 0.00 0.70 0.00 0.00 55.95 57.73 3i06 s SER 98 Cb -0.20 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 3i06 s SER 98 CO -0.02 -0.56 0.93 -0.81 1.20 0.00 0.00 173.24 173.99 3i06 n PRO 99 N 5.88 0.33 -1.75 5.44 -0.04 -1.26 -4.97 135.00 138.64 3i06 n PRO 99 Ca 0.09 0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.35 3i06 n PRO 99 Cb 0.47 -2.20 0.07 0.00 -0.04 0.00 0.00 33.50 31.80 3i06 n PRO 99 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3i06 s PRO 100 N -3.49 2.56 0.39 0.54 0.02 -1.26 -4.63 135.00 129.13 3i06 s PRO 100 Ca 0.71 2.03 -0.28 0.00 0.02 0.00 0.00 61.00 63.49 3i06 s PRO 100 Cb -0.32 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 3i06 s PRO 100 CO 0.53 -1.58 1.48 0.00 -0.33 0.00 0.00 177.00 177.10 3i06 s THR 102 N -1.13 2.02 -0.19 0.00 -4.23 -1.26 -5.03 115.64 105.82 3i06 s THR 102 Ca 0.54 -1.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.24 3i06 s THR 102 Cb -0.47 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 3i06 s THR 102 CO 0.63 0.55 1.12 0.71 -0.54 0.00 0.00 174.62 177.09 3i06 h THR 103 N 5.64 0.43 -2.66 3.99 1.35 -2.03 -3.48 112.91 116.16 3i06 h THR 103 Ca -0.21 -1.73 -0.54 0.00 -0.55 0.00 0.00 66.41 63.38 3i06 h THR 103 Cb 1.23 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 69.64 3i06 h THR 103 CO 0.47 0.25 -0.41 -0.94 -0.25 0.00 0.00 175.52 174.63 3i06 s SER 104 N -5.91 6.36 0.00 5.36 1.04 -1.26 -4.67 113.70 114.62 3i06 s SER 104 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 3i06 s SER 104 Cb 0.08 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.25 3i06 s SER 104 CO 0.78 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.62 3i06 n GLY 105 N -0.61 0.71 3.98 7.32 0.00 -1.26 -5.05 105.19 110.27 3i06 n GLY 105 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3i06 n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i06 s HIS 106 N -2.68 2.50 -0.14 1.61 4.02 -1.26 -5.03 115.29 114.30 3i06 s HIS 106 Ca 0.00 -0.07 0.00 0.00 1.02 0.00 0.00 55.06 56.01 3i06 s HIS 106 Cb 0.00 -2.83 -0.01 0.00 -1.02 0.00 0.00 32.58 28.72 3i06 s HIS 106 CO 0.00 -1.13 -0.14 0.99 1.02 0.00 0.00 174.74 175.48 3i06 s THR 107 N -2.89 2.90 0.08 1.30 2.01 -1.26 -5.06 115.64 112.72 3i06 s THR 107 Ca 0.60 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 3i06 s THR 107 Cb -0.09 -2.22 -0.07 0.00 0.01 0.00 0.00 72.50 70.13 3i06 s THR 107 CO 0.40 0.52 1.31 -0.69 -0.69 0.00 0.00 174.62 175.47 3i06 s VAL 108 N 0.55 3.64 -0.11 3.82 1.01 -1.26 -0.83 120.40 127.22 3i06 s VAL 108 Ca -0.09 1.17 0.12 0.00 0.00 0.00 0.00 61.98 63.18 3i06 s VAL 108 Cb -0.16 -3.75 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 3i06 s VAL 108 CO 0.04 0.08 0.31 0.61 0.00 0.00 0.00 175.10 176.14 3i06 n GLY 109 N 3.39 -0.47 3.45 4.51 0.00 0.37 -4.72 105.19 111.72 3i06 n GLY 109 Ca 0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3i06 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i06 s ALA 110 N -2.71 -1.66 -0.05 4.61 0.00 -0.95 -4.95 121.76 116.05 3i06 s ALA 110 Ca -0.03 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.69 3i06 s ALA 110 Cb 0.08 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3i06 s ALA 110 CO 0.50 -0.68 -0.15 0.99 0.00 0.00 0.00 175.76 176.42 3i06 s THR 111 N -3.16 1.28 0.17 0.00 2.01 -1.26 -1.24 115.64 113.44 3i06 s THR 111 Ca -0.01 -0.61 0.10 0.00 0.31 0.00 0.00 61.69 61.49 3i06 s THR 111 Cb -0.01 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 3i06 s THR 111 CO -0.08 0.38 -0.22 0.27 -0.69 0.00 0.00 174.62 174.27 3i06 s ILE 112 N 0.25 2.13 -0.45 1.82 -4.36 -0.18 -2.86 121.20 117.54 3i06 s ILE 112 Ca -0.07 -1.93 0.11 0.00 -0.26 0.00 0.00 60.65 58.49 3i06 s ILE 112 Cb -0.13 -1.98 -0.12 0.00 1.25 0.00 0.00 42.46 41.48 3i06 s ILE 112 CO 0.03 -0.16 0.44 0.35 0.24 0.00 0.00 174.94 175.84 3i06 n THR 113 N 0.40 0.00 -3.14 8.37 -2.24 -0.03 -4.33 114.28 113.31 3i06 n THR 113 Ca -0.14 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3i06 n THR 113 Cb 0.56 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3i06 n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i06 n GLY 114 N 1.33 -1.14 3.26 3.38 0.00 -1.23 -5.00 105.19 105.80 3i06 n GLY 114 Ca 0.02 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 3i06 n GLY 114 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i06 s HIS 115 N -3.00 -0.06 0.02 1.61 -0.00 -1.26 -0.76 115.29 111.85 3i06 s HIS 115 Ca 0.00 -0.27 0.02 0.00 -0.00 0.00 0.00 55.06 54.81 3i06 s HIS 115 Cb 0.00 0.11 -0.04 0.00 -0.00 0.00 0.00 32.58 32.66 3i06 s HIS 115 CO 0.00 -0.61 -0.00 0.14 -0.00 0.00 0.00 174.74 174.27 3i06 s VAL 116 N -3.62 4.09 -0.15 -5.38 -7.23 0.84 -4.90 120.40 104.06 3i06 s VAL 116 Ca 0.02 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 3i06 s VAL 116 Cb 0.03 -2.86 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 3i06 s VAL 116 CO -0.10 0.31 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.24 3i06 s GLU 117 N -1.74 3.24 0.35 4.82 2.02 -1.26 -1.27 118.70 124.86 3i06 s GLU 117 Ca 0.21 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 3i06 s GLU 117 Cb -0.12 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 3i06 s GLU 117 CO 0.12 0.06 0.58 -0.51 0.02 0.00 0.00 175.26 175.54 3i06 s LEU 118 N 0.70 3.97 0.73 1.80 1.43 -0.23 -5.00 118.68 122.08 3i06 s LEU 118 Ca -0.07 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 53.47 3i06 s LEU 118 Cb -0.16 -3.46 0.04 0.00 0.03 0.00 0.00 46.19 42.64 3i06 s LEU 118 CO 0.02 -0.31 1.24 -2.84 0.23 0.00 0.00 176.35 174.69 3i06 s PRO 119 N -4.15 2.09 -1.46 1.29 0.02 -1.26 -4.65 135.00 126.88 3i06 s PRO 119 Ca 0.42 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 3i06 s PRO 119 Cb -0.10 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.64 3i06 s PRO 119 CO 0.36 -1.90 2.34 1.04 -0.33 0.00 0.00 177.00 178.51 3i06 n GLN 120 N -2.63 3.23 -3.57 5.54 6.02 -1.26 -4.64 117.38 120.07 3i06 n GLN 120 Ca 0.14 -2.69 -0.06 0.00 -0.01 0.00 0.00 57.00 54.38 3i06 n GLN 120 Cb 0.49 -3.10 -0.08 0.00 1.02 0.00 0.00 30.24 28.58 3i06 n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i06 s ASP 121 N 2.50 -0.42 0.28 1.08 -1.08 -1.26 -4.96 116.67 112.81 3i06 s ASP 121 Ca 0.51 0.97 -0.02 0.00 -0.52 0.00 0.00 52.55 53.49 3i06 s ASP 121 Cb 0.14 1.55 0.41 0.00 -1.46 0.00 0.00 42.92 43.56 3i06 s ASP 121 CO -0.07 -0.24 1.93 -0.33 0.52 0.00 0.00 175.17 176.98 3i06 h GLU 122 N 8.13 1.14 -0.42 4.34 5.08 -1.92 -0.66 114.58 130.27 3i06 h GLU 122 Ca -0.17 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3i06 h GLU 122 Cb 1.12 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3i06 h GLU 122 CO 0.15 0.75 0.20 0.00 -1.00 0.00 0.00 179.01 179.11 3i06 h ALA 123 N 1.46 0.54 -0.30 3.43 0.00 -1.96 -0.40 119.26 122.03 3i06 h ALA 123 Ca 0.36 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3i06 h ALA 123 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i06 h ALA 123 CO -0.11 0.11 -0.29 1.96 0.00 0.00 0.00 179.25 180.92 3i06 h GLN 124 N 0.54 0.62 -0.25 0.00 4.20 -1.81 -0.84 115.11 117.57 3i06 h GLN 124 Ca 0.14 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3i06 h GLN 124 Cb 0.13 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3i06 h GLN 124 CO -0.02 0.84 0.16 0.82 -0.67 0.00 0.00 178.83 179.96 3i06 h ILE 125 N 0.53 1.08 -0.67 2.54 2.04 -0.99 -1.07 117.51 120.96 3i06 h ILE 125 Ca 0.07 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3i06 h ILE 125 Cb 0.77 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3i06 h ILE 125 CO 0.06 0.08 0.41 0.00 0.00 0.00 0.00 178.15 178.70 3i06 h ALA 126 N 1.07 0.86 -0.72 1.87 0.00 -0.88 0.05 119.26 121.51 3i06 h ALA 126 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3i06 h ALA 126 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3i06 h ALA 126 CO -0.02 0.32 0.19 0.00 0.00 0.00 0.00 179.25 179.75 3i06 h ALA 127 N 1.22 0.95 -0.27 0.00 0.00 -0.94 0.61 119.26 120.82 3i06 h ALA 127 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i06 h ALA 127 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i06 h ALA 127 CO -0.05 0.66 0.07 2.35 0.00 0.00 0.00 179.25 182.28 3i06 h TRP 128 N 1.08 0.46 -0.88 0.00 7.01 -0.94 -3.07 115.95 119.61 3i06 h TRP 128 Ca 0.23 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.19 3i06 h TRP 128 Cb 0.35 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.24 3i06 h TRP 128 CO 0.03 0.52 0.58 1.25 -2.79 0.00 0.00 178.44 178.02 3i06 h LEU 129 N 0.27 0.99 -1.47 0.65 6.46 -0.73 0.11 115.31 121.59 3i06 h LEU 129 Ca 0.09 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.90 3i06 h LEU 129 Cb 0.29 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3i06 h LEU 129 CO 0.00 0.71 0.44 0.00 -0.62 0.00 0.00 178.44 178.97 3i06 h ALA 130 N 1.33 1.81 0.08 1.25 0.00 -0.79 -1.57 119.26 121.37 3i06 h ALA 130 Ca 0.33 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.89 3i06 h ALA 130 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3i06 h ALA 130 CO -0.08 0.07 -1.84 0.28 0.00 0.00 0.00 179.25 177.68 3i06 n VAL 131 N -4.48 1.69 0.40 0.00 0.31 -0.97 -4.74 118.33 110.55 3i06 n VAL 131 Ca 0.10 -0.47 0.06 0.00 -0.01 0.00 0.00 64.34 64.02 3i06 n VAL 131 Cb 0.27 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.32 3i06 n VAL 131 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i06 n ASN 132 N -3.75 1.03 0.00 4.52 3.02 0.35 -5.11 115.26 115.32 3i06 n ASN 132 Ca -0.33 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 3i06 n ASN 132 Cb 0.94 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 41.27 3i06 n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i06 n GLY 133 N 1.43 -0.82 3.70 7.41 0.00 -0.60 -4.94 105.19 111.37 3i06 n GLY 133 Ca 0.01 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 3i06 n GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i06 n PRO 134 N -0.23 1.27 -4.71 1.61 -0.02 -1.26 -4.38 135.00 127.27 3i06 n PRO 134 Ca 0.00 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.66 3i06 n PRO 134 Cb 0.00 -2.43 -0.17 0.00 -0.02 0.00 0.00 33.50 30.88 3i06 n PRO 134 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i06 s VAL 135 N -1.38 1.71 0.20 -1.45 1.01 -0.59 -4.89 120.40 115.01 3i06 s VAL 135 Ca 0.76 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3i06 s VAL 135 Cb -0.41 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 3i06 s VAL 135 CO 0.46 0.48 1.25 0.00 0.00 0.00 0.00 175.10 177.29 3i06 s ALA 136 N 0.74 3.48 0.01 5.51 0.00 0.38 -0.40 121.76 131.48 3i06 s ALA 136 Ca -0.11 1.03 0.01 0.00 0.00 0.00 0.00 51.96 52.90 3i06 s ALA 136 Cb -0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3i06 s ALA 136 CO 0.02 -0.45 -0.05 0.14 0.00 0.00 0.00 175.76 175.42 3i06 s VAL 137 N -0.10 0.33 0.30 0.00 -7.23 -0.54 -0.70 120.40 112.46 3i06 s VAL 137 Ca 0.54 -0.50 -0.22 0.00 -1.81 0.00 0.00 61.98 59.99 3i06 s VAL 137 Cb -0.35 -0.34 -0.09 0.00 0.56 0.00 0.00 36.38 36.16 3i06 s VAL 137 CO 0.38 -0.12 0.85 0.00 -0.31 0.00 0.00 175.10 175.90 3i06 s ALA 138 N -0.61 3.27 0.07 1.32 0.00 -1.00 -1.12 121.76 123.69 3i06 s ALA 138 Ca -0.04 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 3i06 s ALA 138 Cb -0.05 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3i06 s ALA 138 CO -0.00 0.24 0.05 0.14 0.00 0.00 0.00 175.76 176.19 3i06 s VAL 139 N -1.68 0.18 -0.52 0.00 -7.23 -0.38 -4.36 120.40 106.42 3i06 s VAL 139 Ca 0.49 -1.62 -0.23 0.00 -1.81 0.00 0.00 61.98 58.81 3i06 s VAL 139 Cb -0.16 -1.52 0.04 0.00 0.56 0.00 0.00 36.38 35.30 3i06 s VAL 139 CO 0.21 -0.83 0.87 -0.62 -0.31 0.00 0.00 175.10 174.42 3i06 s ASP 140 N -2.91 6.35 -0.14 4.85 3.68 0.29 -0.87 116.67 127.92 3i06 s ASP 140 Ca 0.08 -0.34 0.15 0.00 2.13 0.00 0.00 52.55 54.56 3i06 s ASP 140 Cb 0.07 -2.41 0.67 0.00 -1.45 0.00 0.00 42.92 39.80 3i06 s ASP 140 CO -0.09 -1.11 1.55 0.00 0.13 0.00 0.00 175.17 175.65 3i06 n ALA 141 N 7.13 3.28 -0.34 3.66 0.00 -1.26 -4.63 120.51 128.35 3i06 n ALA 141 Ca 0.01 -1.49 0.12 0.00 0.00 0.00 0.00 53.44 52.08 3i06 n ALA 141 Cb 0.47 -1.06 0.30 0.00 0.00 0.00 0.00 19.45 19.17 3i06 n ALA 141 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i06 h SER 142 N 3.59 0.70 -0.16 0.00 0.02 -1.92 -1.15 113.55 114.63 3i06 h SER 142 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3i06 h SER 142 Cb 1.49 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.01 3i06 h SER 142 CO 0.29 0.24 0.00 -1.20 -1.14 0.00 0.00 176.83 175.02 3i06 n SER 143 N -4.81 1.56 -0.29 3.07 7.64 -1.26 -4.40 113.62 115.12 3i06 n SER 143 Ca 0.22 -1.70 0.14 0.00 1.01 0.00 0.00 58.87 58.54 3i06 n SER 143 Cb 0.55 -0.10 0.54 0.00 -1.01 0.00 0.00 64.21 64.19 3i06 n SER 143 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3i06 n TRP 144 N 0.25 0.00 0.85 1.43 7.02 -0.44 -4.10 117.44 122.46 3i06 n TRP 144 Ca 0.16 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.68 3i06 n TRP 144 Cb 0.31 -0.07 0.14 0.00 -2.42 0.00 0.00 31.31 29.27 3i06 n TRP 144 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3i06 n MET 145 N -0.40 1.91 0.00 -0.99 2.81 -1.26 -2.67 117.12 116.52 3i06 n MET 145 Ca 0.17 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.91 3i06 n MET 145 Cb 0.31 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 3i06 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i06 n THR 146 N 0.37 0.26 -2.11 2.03 -2.24 -1.26 -5.07 114.28 106.25 3i06 n THR 146 Ca 0.11 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3i06 n THR 146 Cb 0.34 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 3i06 n THR 146 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3i06 s TYR 147 N -0.26 2.97 0.00 4.78 6.14 -1.09 -4.88 117.35 125.01 3i06 s TYR 147 Ca 0.00 0.77 0.00 0.00 0.64 0.00 0.00 57.07 58.48 3i06 s TYR 147 Cb 0.00 -3.75 0.00 0.00 0.42 0.00 0.00 41.96 38.63 3i06 s TYR 147 CO 0.00 -2.78 0.38 0.25 0.64 0.00 0.00 175.55 174.04 3i06 n THR 148 N 4.28 0.00 0.00 4.34 -2.24 -1.26 -4.14 114.28 115.26 3i06 n THR 148 Ca 0.13 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3i06 n THR 148 Cb 0.42 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3i06 n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i06 n GLY 149 N 0.19 3.85 0.47 3.38 0.00 -1.26 -4.73 105.19 107.09 3i06 n GLY 149 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3i06 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i06 n GLY 150 N -1.89 -2.34 3.46 -0.02 0.00 -1.26 -4.87 105.19 98.26 3i06 n GLY 150 Ca 0.00 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3i06 n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i06 s VAL 151 N -0.25 4.92 0.10 1.61 1.01 -1.26 -4.07 120.40 122.46 3i06 s VAL 151 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 3i06 s VAL 151 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 3i06 s VAL 151 CO 0.00 -0.09 1.15 -0.04 0.00 0.00 0.00 175.10 176.12 3i06 s MET 152 N 1.65 4.50 0.00 2.72 -1.94 -0.38 -4.81 119.30 121.03 3i06 s MET 152 Ca 0.05 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 55.76 3i06 s MET 152 Cb -0.18 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.33 3i06 s MET 152 CO 0.08 -0.12 0.17 0.25 -0.01 0.00 0.00 175.02 175.39 3i06 n THR 153 N 3.34 0.00 -1.99 2.05 -2.24 -1.26 -0.85 114.28 113.32 3i06 n THR 153 Ca 0.06 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.46 3i06 n THR 153 Cb 0.47 1.05 0.13 0.00 -2.10 0.00 0.00 70.33 69.87 3i06 n THR 153 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i06 n SER 154 N -0.52 1.40 -4.77 3.42 3.41 -1.26 -4.98 113.62 110.31 3i06 n SER 154 Ca 0.00 -3.07 -0.38 0.00 -0.26 0.00 0.00 58.87 55.16 3i06 n SER 154 Cb 0.01 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 3i06 n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i06 n VAL 156 N 0.23 0.01 -3.23 0.00 0.31 -1.26 -4.56 118.33 109.84 3i06 n VAL 156 Ca 0.03 -0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.12 3i06 n VAL 156 Cb 0.47 -1.74 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 3i06 n VAL 156 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3i06 n SER 157 N 3.73 0.64 0.00 4.52 7.64 -1.26 -4.46 113.62 124.44 3i06 n SER 157 Ca 0.17 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.26 3i06 n SER 157 Cb 0.31 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3i06 n SER 157 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i06 n GLU 158 N 1.38 0.54 -3.72 1.43 -0.58 -1.26 -4.78 120.64 113.65 3i06 n GLU 158 Ca 0.22 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.83 3i06 n GLU 158 Cb 0.51 -0.79 -0.14 0.00 -0.57 0.00 0.00 31.44 30.46 3i06 n GLU 158 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3i06 s GLN 159 N -1.57 0.13 0.10 3.49 0.74 -1.26 -5.10 119.66 116.18 3i06 s GLN 159 Ca 0.00 0.50 -0.31 0.00 0.05 0.00 0.00 55.36 55.60 3i06 s GLN 159 Cb 0.00 -0.16 -0.09 0.00 1.10 0.00 0.00 33.01 33.87 3i06 s GLN 159 CO 0.00 -0.20 1.62 -0.51 -0.55 0.00 0.00 175.29 175.65 3i06 s LEU 160 N 1.52 4.37 0.00 3.68 1.43 -1.26 -3.97 118.68 124.45 3i06 s LEU 160 Ca -0.06 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 3i06 s LEU 160 Cb -0.11 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3i06 s LEU 160 CO -0.07 -0.86 0.31 -0.90 0.23 0.00 0.00 176.35 175.06 3i06 n ASP 161 N 5.06 0.00 -3.66 2.29 3.85 -0.05 -4.91 116.55 119.12 3i06 n ASP 161 Ca 0.15 -1.00 -0.10 0.00 -0.71 0.00 0.00 54.79 53.14 3i06 n ASP 161 Cb 0.40 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.15 3i06 n ASP 161 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3i06 s HIS 162 N 0.00 -0.30 -0.02 2.11 3.76 -0.84 -4.88 115.29 115.12 3i06 s HIS 162 Ca 0.00 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 3i06 s HIS 162 Cb 0.00 0.57 0.00 0.00 1.11 0.00 0.00 32.58 34.26 3i06 s HIS 162 CO 0.00 -1.01 -0.09 0.20 -0.85 0.00 0.00 174.74 172.99 3i06 s GLY 163 N -2.85 0.50 0.06 -2.22 0.00 -1.26 -1.24 107.32 100.31 3i06 s GLY 163 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.45 3i06 s GLY 163 CO -0.03 -0.14 0.08 3.33 0.00 0.00 0.00 173.10 176.33 3i06 n VAL 164 N 3.18 0.00 -3.80 1.40 0.24 -0.28 -4.52 118.33 114.55 3i06 n VAL 164 Ca -0.17 -0.39 -0.25 0.00 -2.04 0.00 0.00 64.34 61.50 3i06 n VAL 164 Cb 0.55 0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.96 3i06 n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3i06 s LEU 165 N 0.00 0.85 -0.01 1.34 2.96 -0.97 -1.46 118.68 121.39 3i06 s LEU 165 Ca 0.06 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 3i06 s LEU 165 Cb 0.00 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 3i06 s LEU 165 CO 0.05 -0.19 1.29 -0.76 -1.32 0.00 0.00 176.35 175.41 3i06 s LEU 166 N 1.88 4.31 0.00 -0.68 1.43 0.47 -0.60 118.68 125.49 3i06 s LEU 166 Ca 0.04 1.99 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3i06 s LEU 166 Cb -0.13 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 3i06 s LEU 166 CO -0.06 -0.62 0.31 1.33 0.23 0.00 0.00 176.35 177.53 3i06 n VAL 167 N 4.48 0.00 -1.49 -1.59 0.24 -0.06 -1.55 118.33 118.36 3i06 n VAL 167 Ca 0.11 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3i06 n VAL 167 Cb 0.45 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3i06 n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i06 n GLY 168 N 1.13 -1.28 3.68 7.63 0.00 -1.19 -1.19 105.19 113.98 3i06 n GLY 168 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 3i06 n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i06 s TYR 169 N -2.48 -0.32 -0.23 1.61 -0.85 -0.14 -1.11 117.35 113.83 3i06 s TYR 169 Ca 0.00 -0.03 -0.04 0.00 -0.52 0.00 0.00 57.07 56.48 3i06 s TYR 169 Cb 0.00 0.64 0.10 0.00 0.38 0.00 0.00 41.96 43.08 3i06 s TYR 169 CO 0.00 -1.08 0.19 1.21 -1.52 0.00 0.00 175.55 174.36 3i06 s ASN 170 N -2.85 2.02 0.00 -0.18 3.84 -0.12 -1.40 114.94 116.25 3i06 s ASN 170 Ca 0.07 -0.60 0.27 0.00 0.21 0.00 0.00 52.86 52.81 3i06 s ASN 170 Cb -0.04 0.15 0.85 0.00 -0.55 0.00 0.00 41.25 41.66 3i06 s ASN 170 CO -0.01 -0.36 1.65 0.47 -2.79 0.00 0.00 177.10 176.06 3i06 n ASP 171 N 5.30 0.33 0.01 -4.21 10.43 0.53 -1.72 116.55 127.22 3i06 n ASP 171 Ca -0.05 -0.03 0.11 0.00 2.57 0.00 0.00 54.79 57.39 3i06 n ASP 171 Cb 0.47 -0.06 0.08 0.00 1.84 0.00 0.00 41.12 43.46 3i06 n ASP 171 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3i06 n SER 172 N -1.42 0.68 -4.74 -2.24 3.41 -1.26 -4.73 113.62 103.33 3i06 n SER 172 Ca 0.07 -0.47 -0.31 0.00 -0.26 0.00 0.00 58.87 57.90 3i06 n SER 172 Cb 0.33 0.62 0.11 0.00 -0.26 0.00 0.00 64.21 65.01 3i06 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i06 s ALA 173 N -3.05 2.02 0.36 7.33 0.00 -1.26 -4.93 121.76 122.24 3i06 s ALA 173 Ca 0.08 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3i06 s ALA 173 Cb 0.16 -3.33 0.66 0.00 0.00 0.00 0.00 23.12 20.61 3i06 s ALA 173 CO 0.78 -2.06 1.98 0.00 0.00 0.00 0.00 175.76 176.46 3i06 h ALA 174 N -1.33 1.53 -3.55 0.00 0.00 -1.94 -3.17 119.26 110.80 3i06 h ALA 174 Ca -0.43 -0.08 -0.68 0.00 0.00 0.00 0.00 54.91 53.72 3i06 h ALA 174 Cb 1.24 -0.21 -0.35 0.00 0.00 0.00 0.00 17.79 18.47 3i06 h ALA 174 CO 0.48 0.40 -0.70 0.08 0.00 0.00 0.00 179.25 179.51 3i06 s VAL 175 N -5.51 2.78 0.55 0.00 1.01 -1.26 -5.11 120.40 112.86 3i06 s VAL 175 Ca -0.09 -1.65 -0.22 0.00 0.00 0.00 0.00 61.98 60.02 3i06 s VAL 175 Cb 0.17 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3i06 s VAL 175 CO 0.76 -0.23 1.36 -2.16 0.00 0.00 0.00 175.10 174.82 3i06 s PRO 176 N 1.16 3.13 0.04 2.72 0.04 -1.20 -4.88 135.00 136.02 3i06 s PRO 176 Ca -0.02 2.23 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 3i06 s PRO 176 Cb -0.20 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3i06 s PRO 176 CO -0.03 -1.20 0.05 1.52 0.04 0.00 0.00 177.00 177.39 3i06 s TYR 177 N -1.31 0.28 0.23 0.56 -0.85 -0.70 -0.79 117.35 114.78 3i06 s TYR 177 Ca 0.72 -0.65 -0.09 0.00 -0.52 0.00 0.00 57.07 56.53 3i06 s TYR 177 Cb -0.40 -0.20 -0.07 0.00 0.38 0.00 0.00 41.96 41.67 3i06 s TYR 177 CO 0.48 -0.35 0.54 -1.58 -1.52 0.00 0.00 175.55 173.11 3i06 s TRP 178 N -2.83 3.43 -0.22 -3.49 0.52 -0.07 -0.95 118.94 115.34 3i06 s TRP 178 Ca -0.03 0.83 -0.04 0.00 0.02 0.00 0.00 56.10 56.88 3i06 s TRP 178 Cb 0.00 -2.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.08 3i06 s TRP 178 CO -0.06 0.26 -0.02 0.42 0.02 0.00 0.00 176.95 177.57 3i06 s ILE 179 N -1.85 3.56 -0.10 2.03 1.01 -0.27 -2.54 121.20 123.04 3i06 s ILE 179 Ca 0.47 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.71 3i06 s ILE 179 Cb -0.11 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.75 3i06 s ILE 179 CO 0.23 0.41 -0.16 -0.63 0.00 0.00 0.00 174.94 174.79 3i06 s ILE 180 N 1.41 1.55 -0.14 2.92 1.01 -0.07 -0.88 121.20 127.00 3i06 s ILE 180 Ca 0.05 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.75 3i06 s ILE 180 Cb -0.14 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 3i06 s ILE 180 CO -0.01 0.45 0.89 -0.75 0.00 0.00 0.00 174.94 175.52 3i06 s LYS 181 N 0.86 4.35 0.48 2.79 2.20 0.23 -1.21 119.74 129.44 3i06 s LYS 181 Ca -0.09 1.15 0.08 0.00 -0.36 0.00 0.00 55.97 56.75 3i06 s LYS 181 Cb -0.15 -3.56 0.08 0.00 -1.51 0.00 0.00 37.83 32.68 3i06 s LYS 181 CO 0.00 -0.31 0.63 -1.71 -0.36 0.00 0.00 175.35 173.60 3i06 n ASN 182 N 5.10 1.86 -2.29 1.43 2.85 -0.99 -2.29 115.26 120.93 3i06 n ASN 182 Ca 0.06 -2.33 -0.19 0.00 -0.11 0.00 0.00 54.58 52.01 3i06 n ASN 182 Cb 0.49 -0.32 0.02 0.00 1.24 0.00 0.00 39.78 41.22 3i06 n ASN 182 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3i06 n SER 183 N -2.36 4.07 -0.68 1.20 3.41 -1.26 -4.47 113.62 113.52 3i06 n SER 183 Ca 0.12 -3.36 0.04 0.00 -0.26 0.00 0.00 58.87 55.41 3i06 n SER 183 Cb 0.51 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 64.26 3i06 n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3i06 n TRP 184 N -0.62 0.26 -0.65 7.33 8.01 -1.18 -1.30 117.44 129.30 3i06 n TRP 184 Ca 0.34 -1.46 0.08 0.00 -1.31 0.00 0.00 57.50 55.16 3i06 n TRP 184 Cb 0.88 -0.29 -0.03 0.00 -2.01 0.00 0.00 31.31 29.85 3i06 n TRP 184 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3i06 n THR 185 N -1.14 -0.06 1.07 -0.99 -2.24 -0.43 -4.08 114.28 106.39 3i06 n THR 185 Ca 0.22 0.25 0.10 0.00 -2.27 0.00 0.00 64.05 62.36 3i06 n THR 185 Cb 0.77 -0.47 0.55 0.00 -2.10 0.00 0.00 70.33 69.08 3i06 n THR 185 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i06 n THR 186 N -3.28 0.28 1.32 4.28 -2.24 -1.26 -3.43 114.28 109.95 3i06 n THR 186 Ca -0.02 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3i06 n THR 186 Cb 0.31 -0.72 0.43 0.00 -2.10 0.00 0.00 70.33 68.24 3i06 n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i06 n GLN 187 N -1.23 1.72 -4.66 -0.78 1.13 -1.26 -3.15 117.38 109.14 3i06 n GLN 187 Ca 0.11 -1.07 -0.33 0.00 -1.94 0.00 0.00 57.00 53.78 3i06 n GLN 187 Cb 0.15 -1.43 -0.12 0.00 0.11 0.00 0.00 30.24 28.95 3i06 n GLN 187 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 3i06 s TRP 188 N -1.87 2.83 0.00 1.08 -0.00 -1.22 -4.99 118.94 114.77 3i06 s TRP 188 Ca 0.35 -0.07 0.00 0.00 -0.00 0.00 0.00 56.10 56.38 3i06 s TRP 188 Cb 0.19 -1.64 0.00 0.00 -0.00 0.00 0.00 33.47 32.02 3i06 s TRP 188 CO 0.29 0.29 0.00 0.41 -0.00 0.00 0.00 176.95 177.95 3i06 n GLY 189 N 2.03 0.74 3.40 5.86 0.00 -1.26 -0.48 105.19 115.48 3i06 n GLY 189 Ca -0.17 -0.79 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 3i06 n GLY 189 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i06 s GLU 190 N 0.00 3.85 -1.43 1.61 2.02 0.32 -4.40 118.70 120.66 3i06 s GLU 190 Ca 0.00 -2.45 -0.06 0.00 0.02 0.00 0.00 54.97 52.49 3i06 s GLU 190 Cb 0.00 -4.75 0.03 0.00 0.10 0.00 0.00 34.13 29.51 3i06 s GLU 190 CO 0.00 -1.53 0.48 0.39 0.02 0.00 0.00 175.26 174.62 3i06 n GLU 191 N 4.86 -3.98 -0.02 1.61 4.71 -1.25 -1.82 120.64 124.74 3i06 n GLU 191 Ca 0.24 0.74 0.00 0.00 -0.01 0.00 0.00 57.16 58.13 3i06 n GLU 191 Cb 0.45 -5.52 0.00 0.00 -1.01 0.00 0.00 31.44 25.36 3i06 n GLU 191 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i06 n GLY 192 N -1.31 0.35 3.69 0.62 0.00 0.37 -4.56 105.19 104.35 3i06 n GLY 192 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3i06 n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i06 s TYR 193 N -2.05 2.84 0.00 1.61 2.02 -0.76 -2.36 117.35 118.65 3i06 s TYR 193 Ca 0.00 -0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.58 3i06 s TYR 193 Cb 0.00 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 3i06 s TYR 193 CO 0.00 0.57 -0.15 -1.50 -1.57 0.00 0.00 175.55 172.90 3i06 s ILE 194 N -2.10 1.19 -0.22 2.71 2.07 -0.35 -0.52 121.20 123.97 3i06 s ILE 194 Ca 0.31 -0.74 -0.09 0.00 -1.41 0.00 0.00 60.65 58.71 3i06 s ILE 194 Cb -0.08 -1.01 -0.05 0.00 0.13 0.00 0.00 42.46 41.46 3i06 s ILE 194 CO 0.21 0.25 0.13 -0.13 -1.91 0.00 0.00 174.94 173.49 3i06 s ARG 195 N -0.56 4.03 0.13 3.50 0.52 -1.26 -0.89 118.95 124.41 3i06 s ARG 195 Ca 0.05 -0.30 0.11 0.00 -0.52 0.00 0.00 55.73 55.07 3i06 s ARG 195 Cb -0.06 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 3i06 s ARG 195 CO -0.00 0.13 -0.26 0.96 0.02 0.00 0.00 175.30 176.15 3i06 s ILE 196 N 0.83 2.33 0.56 1.52 -4.36 -1.05 -1.25 121.20 119.77 3i06 s ILE 196 Ca 0.06 -1.72 -0.21 0.00 -0.26 0.00 0.00 60.65 58.52 3i06 s ILE 196 Cb -0.13 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 3i06 s ILE 196 CO 0.02 0.10 1.33 0.00 0.24 0.00 0.00 174.94 176.64 3i06 s ALA 197 N -1.06 2.75 -0.09 2.27 0.00 -0.03 -0.89 121.76 124.70 3i06 s ALA 197 Ca 0.14 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3i06 s ALA 197 Cb -0.10 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 3i06 s ALA 197 CO 0.06 -1.36 -0.10 0.21 0.00 0.00 0.00 175.76 174.57 3i06 s LYS 198 N -2.98 3.00 0.00 0.00 2.20 0.03 -4.42 119.74 117.57 3i06 s LYS 198 Ca 0.73 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3i06 s LYS 198 Cb -0.39 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3i06 s LYS 198 CO 0.45 0.47 0.00 0.41 -0.36 0.00 0.00 175.35 176.33 3i06 n GLY 199 N 2.78 0.71 0.14 5.54 0.00 -1.26 -4.71 105.19 108.40 3i06 n GLY 199 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 3i06 n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i06 n SER 200 N 0.00 2.03 -3.99 1.61 3.41 -1.26 -4.99 113.62 110.43 3i06 n SER 200 Ca 0.00 -2.97 -0.31 0.00 -0.26 0.00 0.00 58.87 55.33 3i06 n SER 200 Cb 0.00 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 3i06 n SER 200 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i06 n ASN 201 N -1.24 -3.82 -4.69 4.04 5.15 -1.26 -4.89 115.26 108.54 3i06 n ASN 201 Ca 0.14 -0.86 -0.44 0.00 -0.60 0.00 0.00 54.58 52.81 3i06 n ASN 201 Cb 0.65 -3.51 -0.03 0.00 -0.53 0.00 0.00 39.78 36.36 3i06 n ASN 201 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i06 n GLN 202 N -4.55 2.32 -1.31 1.20 1.13 -1.26 -1.72 117.38 113.18 3i06 n GLN 202 Ca 0.00 0.83 -0.11 0.00 -1.94 0.00 0.00 57.00 55.79 3i06 n GLN 202 Cb 0.54 -2.58 -0.05 0.00 0.11 0.00 0.00 30.24 28.26 3i06 n GLN 202 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i06 n LEU 204 N -1.23 -2.11 0.29 0.00 4.77 -0.70 -0.54 117.00 117.48 3i06 n LEU 204 Ca -0.11 -0.08 0.15 0.00 -0.03 0.00 0.00 56.01 55.94 3i06 n LEU 204 Cb 0.49 -2.92 0.88 0.00 -2.33 0.00 0.00 43.42 39.54 3i06 n LEU 204 CO 0.16 -0.12 1.10 1.62 -1.33 0.00 0.00 177.39 178.82 3i06 h VAL 205 N -0.30 0.53 0.00 4.08 3.04 -1.57 -1.41 116.25 120.62 3i06 h VAL 205 Ca -0.50 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 3i06 h VAL 205 Cb 1.36 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3i06 h VAL 205 CO 0.58 0.02 0.00 2.29 -1.01 0.00 0.00 177.57 179.45 3i06 n LYS 206 N -3.80 0.26 0.11 4.17 2.85 -1.26 -4.43 118.16 116.06 3i06 n LYS 206 Ca -0.03 0.22 -0.04 0.00 -1.05 0.00 0.00 58.31 57.42 3i06 n LYS 206 Cb 0.11 -1.81 0.11 0.00 -0.65 0.00 0.00 35.03 32.79 3i06 n LYS 206 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3i06 h GLU 207 N 0.00 0.09 -1.22 -1.58 4.81 -1.54 -3.38 114.58 111.76 3i06 h GLU 207 Ca 0.00 -0.08 -0.39 0.00 -0.13 0.00 0.00 59.36 58.76 3i06 h GLU 207 Cb 0.73 0.02 -0.27 0.00 0.63 0.00 0.00 28.75 29.85 3i06 h GLU 207 CO 0.00 0.74 -0.80 -1.91 -0.73 0.00 0.00 179.01 176.31 3i06 n GLU 208 N -3.76 0.64 -3.94 1.92 2.13 -1.26 -4.89 120.64 111.47 3i06 n GLU 208 Ca -0.02 -2.54 -0.36 0.00 0.66 0.00 0.00 57.16 54.90 3i06 n GLU 208 Cb 0.67 -1.40 -0.07 0.00 0.27 0.00 0.00 31.44 30.91 3i06 n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i06 s ALA 209 N -0.09 3.69 0.11 4.31 0.00 -1.26 -2.38 121.76 126.14 3i06 s ALA 209 Ca 0.33 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 3i06 s ALA 209 Cb 0.15 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.36 3i06 s ALA 209 CO -0.16 0.47 0.30 -1.12 0.00 0.00 0.00 175.76 175.25 3i06 s SER 210 N -0.57 -0.06 -0.10 0.00 0.01 0.12 -1.06 113.70 112.04 3i06 s SER 210 Ca 0.12 -0.49 -0.16 0.00 1.31 0.00 0.00 55.95 56.73 3i06 s SER 210 Cb -0.12 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.56 3i06 s SER 210 CO 0.02 -0.80 0.40 -0.55 0.41 0.00 0.00 173.24 172.73 3i06 s SER 211 N -2.83 -0.37 0.73 2.44 0.15 -0.40 -0.47 113.70 112.95 3i06 s SER 211 Ca 0.04 0.56 -0.14 0.00 0.70 0.00 0.00 55.95 57.11 3i06 s SER 211 Cb 0.03 0.63 0.04 0.00 -1.71 0.00 0.00 66.02 65.01 3i06 s SER 211 CO -0.11 -0.29 1.15 0.00 1.20 0.00 0.00 173.24 175.18 3i06 s ALA 212 N -0.46 2.18 -0.30 5.45 0.00 -1.26 -0.11 121.76 127.26 3i06 s ALA 212 Ca -0.06 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 3i06 s ALA 212 Cb -0.03 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.74 3i06 s ALA 212 CO 0.03 -1.76 0.01 0.08 0.00 0.00 0.00 175.76 174.12 3i06 s VAL 213 N -2.31 3.09 0.18 0.00 1.01 0.07 -4.78 120.40 117.65 3i06 s VAL 213 Ca 0.69 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3i06 s VAL 213 Cb -0.24 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 3i06 s VAL 213 CO 0.47 -0.10 1.08 -0.69 0.00 0.00 0.00 175.10 175.86 3i06 s VAL 214 N 1.28 3.91 0.00 2.92 1.01 -1.26 -0.85 120.40 127.40 3i06 s VAL 214 Ca -0.05 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.59 3i06 s VAL 214 Cb -0.20 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3i06 s VAL 214 CO -0.01 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.00