#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i76 s ARG 3 N 0.00 3.96 0.46 1.64 1.04 -1.26 -5.08 118.95 119.71 3i76 s ARG 3 Ca 0.00 -0.34 -0.23 0.00 -1.04 0.00 0.00 55.73 54.12 3i76 s ARG 3 Cb 0.00 -3.21 -0.07 0.00 -2.04 0.00 0.00 34.95 29.63 3i76 s ARG 3 CO 0.00 0.29 1.18 0.71 -0.04 0.00 0.00 175.30 177.44 3i76 s TYR 4 N 0.33 2.87 -0.03 5.89 2.02 -1.26 -4.83 117.35 122.33 3i76 s TYR 4 Ca 0.03 1.53 0.09 0.00 -0.37 0.00 0.00 57.07 58.35 3i76 s TYR 4 Cb -0.12 -3.41 -0.13 0.00 -0.40 0.00 0.00 41.96 37.89 3i76 s TYR 4 CO 0.00 -1.57 0.15 0.54 -1.57 0.00 0.00 175.55 173.11 3i76 n ARG 5 N -0.43 0.97 -4.39 -0.62 1.74 0.36 -4.98 116.66 109.31 3i76 n ARG 5 Ca 0.07 -0.06 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 3i76 n ARG 5 Cb 0.48 -1.22 -0.17 0.00 -1.02 0.00 0.00 32.46 30.53 3i76 n ARG 5 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i76 s THR 6 N -2.52 1.01 -0.14 0.55 2.01 -0.83 -1.13 115.64 114.59 3i76 s THR 6 Ca -0.04 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.60 3i76 s THR 6 Cb 0.05 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.61 3i76 s THR 6 CO 0.38 0.34 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.68 3i76 s LEU 7 N 0.91 2.03 -0.26 4.42 1.43 -0.39 -1.67 118.68 125.16 3i76 s LEU 7 Ca -0.10 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 3i76 s LEU 7 Cb -0.15 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 3i76 s LEU 7 CO 0.01 0.05 0.12 -0.76 0.23 0.00 0.00 176.35 176.00 3i76 s LEU 8 N 0.96 3.72 -0.15 1.79 1.43 0.01 -0.76 118.68 125.67 3i76 s LEU 8 Ca -0.04 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3i76 s LEU 8 Cb -0.15 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3i76 s LEU 8 CO -0.04 -0.02 -0.03 -0.36 0.23 0.00 0.00 176.35 176.12 3i76 s PHE 9 N 1.57 3.04 0.74 0.29 0.08 0.41 -1.01 117.98 123.11 3i76 s PHE 9 Ca 0.06 -0.23 -0.14 0.00 0.12 0.00 0.00 56.93 56.74 3i76 s PHE 9 Cb -0.15 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3i76 s PHE 9 CO 0.06 0.02 1.17 0.34 -0.10 0.00 0.00 175.22 176.71 3i76 s ASP 10 N 0.24 4.30 -0.02 1.36 2.15 -0.49 -0.95 116.67 123.26 3i76 s ASP 10 Ca -0.02 2.21 -0.01 0.00 0.43 0.00 0.00 52.55 55.16 3i76 s ASP 10 Cb -0.14 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3i76 s ASP 10 CO 0.03 -2.19 -0.03 0.52 -0.17 0.00 0.00 175.17 173.34 3i76 n VAL 11 N -2.87 0.17 -2.19 1.11 0.31 -1.26 -3.94 118.33 109.65 3i76 n VAL 11 Ca 0.12 0.46 -0.43 0.00 -0.01 0.00 0.00 64.34 64.49 3i76 n VAL 11 Cb 0.51 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.81 3i76 n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i76 s ASP 12 N -3.88 6.54 -1.49 4.52 1.01 -1.26 -1.43 116.67 120.68 3i76 s ASP 12 Ca -0.02 1.64 0.00 0.00 0.71 0.00 0.00 52.55 54.88 3i76 s ASP 12 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3i76 s ASP 12 CO 0.03 -1.12 0.00 0.47 0.21 0.00 0.00 175.17 174.76 3i76 n ASP 13 N 7.89 -4.69 0.03 0.27 8.00 0.41 -4.81 116.55 123.66 3i76 n ASP 13 Ca 0.17 0.30 -0.01 0.00 0.71 0.00 0.00 54.79 55.97 3i76 n ASP 13 Cb 0.45 -3.51 -0.00 0.00 -0.02 0.00 0.00 41.12 38.03 3i76 n ASP 13 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i76 n THR 14 N -2.79 1.00 -0.01 -3.53 -1.04 -0.77 -4.64 114.28 102.51 3i76 n THR 14 Ca -0.15 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3i76 n THR 14 Cb 0.50 -1.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.37 3i76 n THR 14 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3i76 n ILE 15 N -3.46 0.11 -3.99 12.58 -5.35 -0.54 -4.78 119.36 113.93 3i76 n ILE 15 Ca -0.01 -0.11 -0.35 0.00 -0.27 0.00 0.00 62.75 62.01 3i76 n ILE 15 Cb 0.14 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 37.70 3i76 n ILE 15 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i76 s LEU 16 N -3.75 4.20 -0.97 7.28 1.43 -0.51 -1.20 118.68 125.16 3i76 s LEU 16 Ca -0.01 0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 3i76 s LEU 16 Cb 0.02 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.11 3i76 s LEU 16 CO 0.14 0.35 1.31 -0.62 0.23 0.00 0.00 176.35 177.75 3i76 s ASP 17 N -1.36 6.54 0.24 2.29 -1.08 0.15 -0.44 116.67 123.01 3i76 s ASP 17 Ca 0.19 -1.65 0.11 0.00 -0.52 0.00 0.00 52.55 50.68 3i76 s ASP 17 Cb -0.12 -2.50 0.22 0.00 -1.46 0.00 0.00 42.92 39.06 3i76 s ASP 17 CO 0.09 -1.34 1.52 0.15 0.52 0.00 0.00 175.17 176.11 3i76 h PHE 18 N 9.42 0.00 -0.96 -5.34 3.57 -1.90 -2.13 116.94 119.60 3i76 h PHE 18 Ca 0.16 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3i76 h PHE 18 Cb 1.02 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 3i76 h PHE 18 CO 1.22 0.69 0.63 1.96 -2.23 0.00 0.00 178.31 180.59 3i76 h GLN 19 N 0.00 1.23 -0.34 1.11 1.08 -1.98 -0.16 115.11 116.05 3i76 h GLN 19 Ca -0.01 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 56.97 3i76 h GLN 19 Cb 1.28 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 3i76 h GLN 19 CO 0.09 0.81 -0.38 0.00 -0.95 0.00 0.00 178.83 178.40 3i76 h ALA 20 N 1.42 0.69 -0.72 3.87 0.00 -1.88 -2.04 119.26 120.59 3i76 h ALA 20 Ca 0.36 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3i76 h ALA 20 Cb -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3i76 h ALA 20 CO -0.09 0.67 0.42 0.00 0.00 0.00 0.00 179.25 180.25 3i76 h ALA 21 N 0.90 0.92 -0.58 0.00 0.00 -0.96 -1.33 119.26 118.21 3i76 h ALA 21 Ca 0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3i76 h ALA 21 Cb 0.94 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3i76 h ALA 21 CO 0.09 0.40 0.07 0.93 0.00 0.00 0.00 179.25 180.74 3i76 h GLU 22 N 0.99 0.98 -0.27 0.00 5.08 -0.88 -0.13 114.58 120.35 3i76 h GLU 22 Ca 0.26 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3i76 h GLU 22 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3i76 h GLU 22 CO -0.05 0.94 0.08 0.00 -1.00 0.00 0.00 179.01 178.99 3i76 h ALA 23 N 1.00 0.36 -0.21 3.43 0.00 -1.18 -1.17 119.26 121.48 3i76 h ALA 23 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i76 h ALA 23 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i76 h ALA 23 CO 0.02 -0.01 0.10 1.25 0.00 0.00 0.00 179.25 180.61 3i76 h LEU 24 N 0.28 0.28 -1.44 0.00 5.85 -1.16 -2.63 115.31 116.48 3i76 h LEU 24 Ca 0.09 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3i76 h LEU 24 Cb 0.25 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3i76 h LEU 24 CO -0.00 0.34 0.19 0.00 -0.34 0.00 0.00 178.44 178.62 3i76 h ALA 25 N 0.96 1.57 -0.25 1.25 0.00 -0.88 -0.54 119.26 121.37 3i76 h ALA 25 Ca 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3i76 h ALA 25 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i76 h ALA 25 CO -0.01 0.35 -0.21 1.25 0.00 0.00 0.00 179.25 180.63 3i76 h LEU 26 N 0.57 0.61 -0.41 0.00 5.85 -1.14 0.10 115.31 120.89 3i76 h LEU 26 Ca 0.14 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3i76 h LEU 26 Cb 0.07 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3i76 h LEU 26 CO -0.02 0.94 0.23 -0.09 -0.34 0.00 0.00 178.44 179.16 3i76 h ARG 27 N 0.30 0.45 -0.32 1.25 2.43 -1.09 -2.17 114.38 115.23 3i76 h ARG 27 Ca 0.05 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3i76 h ARG 27 Cb 0.75 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3i76 h ARG 27 CO 0.05 0.30 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.66 3i76 h LEU 28 N 0.46 0.51 -0.33 3.80 3.38 -0.87 -0.75 115.31 121.51 3i76 h LEU 28 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i76 h LEU 28 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3i76 h LEU 28 CO -0.09 0.64 0.15 0.25 0.09 0.00 0.00 178.44 179.48 3i76 h LEU 29 N 0.50 0.43 -0.47 1.67 5.85 -0.46 -0.04 115.31 122.79 3i76 h LEU 29 Ca 0.10 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 3i76 h LEU 29 Cb 0.45 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3i76 h LEU 29 CO 0.02 0.44 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.91 3i76 h PHE 30 N 0.39 1.00 -0.58 1.25 -1.00 -1.20 -0.97 116.94 115.83 3i76 h PHE 30 Ca 0.11 -0.30 0.04 0.00 2.81 0.00 0.00 57.97 60.63 3i76 h PHE 30 Cb 0.12 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 3i76 h PHE 30 CO -0.02 1.09 0.33 0.93 -1.61 0.00 0.00 178.31 179.03 3i76 h GLU 31 N 0.68 0.61 -0.72 1.51 5.08 -1.07 0.82 114.58 121.50 3i76 h GLU 31 Ca 0.06 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3i76 h GLU 31 Cb 0.96 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 3i76 h GLU 31 CO 0.09 0.41 0.48 0.22 -1.00 0.00 0.00 179.01 179.20 3i76 h ASP 32 N 0.63 0.82 0.41 1.42 3.58 -0.46 -2.52 116.42 120.30 3i76 h ASP 32 Ca 0.25 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3i76 h ASP 32 Cb 0.09 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.94 3i76 h ASP 32 CO -0.14 0.60 -0.20 0.00 -2.88 0.00 0.00 179.24 176.62 3i76 n GLN 33 N -4.59 0.56 -3.43 0.28 1.13 -0.42 -4.94 117.38 105.98 3i76 n GLN 33 Ca 0.07 -0.25 -0.21 0.00 -1.94 0.00 0.00 57.00 54.67 3i76 n GLN 33 Cb 0.02 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 28.94 3i76 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i76 n ASN 34 N -1.00 -5.90 -4.23 1.08 3.02 0.18 -4.99 115.26 103.41 3i76 n ASN 34 Ca 0.12 -0.46 -0.33 0.00 -0.03 0.00 0.00 54.58 53.88 3i76 n ASN 34 Cb 0.31 -4.54 -0.16 0.00 -0.61 0.00 0.00 39.78 34.79 3i76 n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i76 s ILE 35 N -3.27 2.50 0.25 2.41 1.01 -0.58 -5.04 121.20 118.47 3i76 s ILE 35 Ca 0.50 -0.83 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 3i76 s ILE 35 Cb -0.22 -2.04 -0.12 0.00 0.01 0.00 0.00 42.46 40.08 3i76 s ILE 35 CO 0.62 0.52 1.58 -2.65 0.00 0.00 0.00 174.94 175.01 3i76 n PRO 36 N 4.11 2.51 -3.76 2.79 -0.02 -1.26 -4.54 135.00 134.83 3i76 n PRO 36 Ca -0.19 0.90 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 3i76 n PRO 36 Cb 0.52 -2.66 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 3i76 n PRO 36 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i76 s LEU 37 N 0.13 3.81 0.31 2.45 2.96 -1.26 -5.09 118.68 121.99 3i76 s LEU 37 Ca 0.69 -0.64 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3i76 s LEU 37 Cb -0.55 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 3i76 s LEU 37 CO 0.44 -0.17 0.38 0.42 -1.32 0.00 0.00 176.35 176.10 3i76 s THR 38 N 1.52 4.12 0.22 3.68 -4.23 -1.26 -4.99 115.64 114.69 3i76 s THR 38 Ca 0.03 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 3i76 s THR 38 Cb -0.17 -3.41 0.18 0.00 1.34 0.00 0.00 72.50 70.44 3i76 s THR 38 CO 0.03 -0.20 1.87 -1.13 -0.54 0.00 0.00 174.62 174.64 3i76 h ASN 39 N 1.09 0.86 -0.68 3.99 -1.24 -1.99 -0.59 115.58 117.01 3i76 h ASN 39 Ca -0.47 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.55 3i76 h ASN 39 Cb 1.25 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 40.07 3i76 h ASN 39 CO 0.56 0.60 0.45 -0.78 -1.29 0.00 0.00 177.43 176.97 3i76 h ASP 40 N 1.01 0.77 -0.66 1.15 3.58 -1.99 -1.34 116.42 118.94 3i76 h ASP 40 Ca 0.31 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.76 3i76 h ASP 40 Cb -0.02 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3i76 h ASP 40 CO -0.10 0.55 0.43 0.24 -2.88 0.00 0.00 179.24 177.48 3i76 h MET 41 N 0.91 0.85 -0.66 0.28 2.86 -1.78 -0.72 114.93 116.66 3i76 h MET 41 Ca 0.26 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3i76 h MET 41 Cb -0.08 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.36 3i76 h MET 41 CO -0.07 0.56 0.41 0.87 1.06 0.00 0.00 176.91 179.74 3i76 h LYS 42 N 0.87 0.90 -0.39 1.72 1.57 -0.81 0.15 116.57 120.58 3i76 h LYS 42 Ca 0.25 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3i76 h LYS 42 Cb -0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3i76 h LYS 42 CO -0.06 0.63 0.23 0.00 -0.57 0.00 0.00 179.45 179.68 3i76 h ALA 43 N 1.21 0.50 -0.46 3.86 0.00 -0.73 -1.83 119.26 121.81 3i76 h ALA 43 Ca 0.24 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3i76 h ALA 43 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3i76 h ALA 43 CO -0.05 -0.01 -0.15 1.96 0.00 0.00 0.00 179.25 181.01 3i76 h GLN 44 N 0.51 0.88 -0.63 0.00 1.08 -0.88 -2.29 115.11 113.78 3i76 h GLN 44 Ca 0.14 -0.33 0.02 0.00 -1.45 0.00 0.00 58.65 57.03 3i76 h GLN 44 Cb 0.01 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3i76 h GLN 44 CO -0.03 0.97 0.40 -0.92 -0.95 0.00 0.00 178.83 178.31 3i76 h TYR 45 N 0.78 0.75 -0.34 2.96 3.20 -0.51 -0.35 116.97 123.46 3i76 h TYR 45 Ca 0.12 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.06 3i76 h TYR 45 Cb 0.68 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 3i76 h TYR 45 CO 0.04 0.44 0.07 -0.22 -1.64 0.00 0.00 178.16 176.86 3i76 h LYS 46 N 0.79 0.19 -0.39 1.82 3.64 -1.02 0.15 116.57 121.75 3i76 h LYS 46 Ca 0.25 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3i76 h LYS 46 Cb -0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3i76 h LYS 46 CO -0.09 0.13 0.15 1.15 -2.27 0.00 0.00 179.45 178.52 3i76 h THR 47 N 0.20 1.20 -0.04 1.00 2.02 -1.01 -0.13 112.91 116.15 3i76 h THR 47 Ca 0.16 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3i76 h THR 47 Cb 0.17 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3i76 h THR 47 CO -0.21 0.22 -0.14 0.40 0.37 0.00 0.00 175.52 176.16 3i76 h ILE 48 N 0.49 0.63 -0.23 3.11 2.04 -0.81 -0.64 117.51 122.10 3i76 h ILE 48 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 3i76 h ILE 48 Cb 0.20 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3i76 h ILE 48 CO -0.01 0.00 0.13 -1.13 0.00 0.00 0.00 178.15 177.14 3i76 h ASN 49 N -0.22 0.29 -0.78 1.72 -1.24 -0.54 -0.52 115.58 114.28 3i76 h ASN 49 Ca 0.06 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 3i76 h ASN 49 Cb 0.31 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 3i76 h ASN 49 CO -0.17 0.27 0.43 1.56 -1.29 0.00 0.00 177.43 178.23 3i76 h GLN 50 N 0.28 1.11 -0.34 6.67 4.20 -0.87 -1.65 115.11 124.51 3i76 h GLN 50 Ca 0.08 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3i76 h GLN 50 Cb 0.05 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3i76 h GLN 50 CO -0.01 0.81 -0.19 0.78 -0.67 0.00 0.00 178.83 179.55 3i76 h GLY 51 N 1.14 0.68 0.72 3.46 0.00 -0.68 -1.37 103.07 107.01 3i76 h GLY 51 Ca 0.28 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 3i76 h GLY 51 CO -0.04 0.49 -0.18 1.41 0.00 0.00 0.00 176.54 178.22 3i76 h LEU 52 N 0.56 0.37 -1.20 3.11 3.38 -0.41 -1.44 115.31 119.68 3i76 h LEU 52 Ca 0.09 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.58 3i76 h LEU 52 Cb 0.64 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3i76 h LEU 52 CO 0.04 0.82 0.55 -0.50 0.09 0.00 0.00 178.44 179.44 3i76 h TRP 53 N -0.07 1.00 -0.45 1.13 4.06 -1.26 -0.45 115.95 119.91 3i76 h TRP 53 Ca 0.01 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.01 3i76 h TRP 53 Cb 0.73 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 3i76 h TRP 53 CO 0.10 0.57 0.27 0.00 -3.56 0.00 0.00 178.44 175.82 3i76 h ARG 54 N 1.03 0.52 -0.87 0.49 3.08 -1.11 0.15 114.38 117.67 3i76 h ARG 54 Ca 0.34 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.38 3i76 h ARG 54 Cb 0.05 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3i76 h ARG 54 CO -0.10 0.35 0.56 0.00 -1.07 0.00 0.00 179.97 179.71 3i76 h ALA 55 N 1.20 1.13 -0.06 0.04 0.00 -0.41 0.08 119.26 121.24 3i76 h ALA 55 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i76 h ALA 55 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3i76 h ALA 55 CO -0.08 0.43 0.03 0.35 0.00 0.00 0.00 179.25 179.98 3i76 h PHE 56 N 1.11 0.08 -0.05 0.00 3.57 -0.68 -0.09 116.94 120.89 3i76 h PHE 56 Ca 0.34 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 3i76 h PHE 56 Cb -0.03 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3i76 h PHE 56 CO -0.02 0.18 -0.09 0.93 -2.23 0.00 0.00 178.31 177.08 3i76 h GLU 57 N -0.03 0.07 -0.14 1.11 5.08 -0.24 -1.50 114.58 118.93 3i76 h GLU 57 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3i76 h GLU 57 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i76 h GLU 57 CO -0.00 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.57 3i76 n GLU 58 N -4.39 1.55 -0.74 2.33 1.02 -0.03 -4.94 120.64 115.44 3i76 n GLU 58 Ca -0.02 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 3i76 n GLU 58 Cb 0.19 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3i76 n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i76 n GLY 59 N 1.02 0.60 0.01 0.62 0.00 -0.56 -4.94 105.19 101.92 3i76 n GLY 59 Ca 0.14 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3i76 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i76 n LYS 60 N -2.74 0.25 -3.78 1.61 4.76 -0.08 -4.96 118.16 113.22 3i76 n LYS 60 Ca 0.00 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.25 3i76 n LYS 60 Cb 0.00 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 31.57 3i76 n LYS 60 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3i76 s MET 61 N -3.19 0.39 0.68 1.97 1.75 -1.21 -4.97 119.30 114.72 3i76 s MET 61 Ca 0.02 0.22 -0.13 0.00 -1.25 0.00 0.00 55.69 54.55 3i76 s MET 61 Cb 0.15 0.18 0.01 0.00 2.84 0.00 0.00 34.83 38.01 3i76 s MET 61 CO 0.87 -0.07 1.09 0.95 -0.65 0.00 0.00 175.02 177.22 3i76 s THR 62 N -0.22 3.46 0.26 10.11 -4.23 -1.26 -4.22 115.64 119.54 3i76 s THR 62 Ca -0.03 0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 3i76 s THR 62 Cb -0.03 -3.14 0.27 0.00 1.34 0.00 0.00 72.50 70.94 3i76 s THR 62 CO 0.01 -0.50 1.89 -0.09 -0.54 0.00 0.00 174.62 175.39 3i76 h ARG 63 N -0.28 1.17 -0.68 3.99 2.43 -1.98 -2.20 114.38 116.82 3i76 h ARG 63 Ca -0.46 -0.07 0.12 0.00 -0.81 0.00 0.00 59.98 58.76 3i76 h ARG 63 Cb 1.23 -0.26 -0.08 0.00 -0.42 0.00 0.00 29.97 30.43 3i76 h ARG 63 CO 0.54 0.77 0.26 0.22 -1.51 0.00 0.00 179.97 180.25 3i76 h ASP 64 N 1.21 0.24 -0.22 -3.80 -0.00 -2.00 -2.21 116.42 109.63 3i76 h ASP 64 Ca 0.42 0.10 -0.10 0.00 -0.00 0.00 0.00 57.03 57.45 3i76 h ASP 64 Cb 0.12 0.08 -0.00 0.00 -0.00 0.00 0.00 39.33 39.52 3i76 h ASP 64 CO -0.16 0.11 -0.26 -0.08 -0.00 0.00 0.00 179.24 178.86 3i76 h GLU 65 N 0.42 0.56 -0.05 0.28 4.81 -1.83 -1.71 114.58 117.05 3i76 h GLU 65 Ca 0.36 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3i76 h GLU 65 Cb 0.50 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 3i76 h GLU 65 CO -0.36 0.91 -0.50 0.28 -0.73 0.00 0.00 179.01 178.60 3i76 h VAL 66 N 0.24 0.05 -0.02 0.32 2.07 -0.99 -1.41 116.25 116.51 3i76 h VAL 66 Ca 0.03 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.41 3i76 h VAL 66 Cb 0.82 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3i76 h VAL 66 CO 0.06 0.00 -0.64 -0.37 0.02 0.00 0.00 177.57 176.64 3i76 h VAL 67 N -0.61 1.44 -0.01 2.57 -1.51 -1.41 -2.33 116.25 114.38 3i76 h VAL 67 Ca 0.03 -2.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.36 3i76 h VAL 67 Cb 0.69 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 3i76 h VAL 67 CO -0.38 0.62 -0.04 0.59 -1.23 0.00 0.00 177.57 177.14 3i76 n ASN 68 N -3.81 1.44 -0.00 4.19 3.02 -0.65 -3.94 115.26 115.52 3i76 n ASN 68 Ca -0.02 -1.42 0.02 0.00 -0.03 0.00 0.00 54.58 53.13 3i76 n ASN 68 Cb 0.64 0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.80 3i76 n ASN 68 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i76 n THR 69 N 0.06 0.00 -0.32 3.41 -2.24 -0.54 -3.28 114.28 111.37 3i76 n THR 69 Ca 0.18 -0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3i76 n THR 69 Cb 0.36 0.62 0.13 0.00 -2.10 0.00 0.00 70.33 69.34 3i76 n THR 69 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3i76 h ARG 70 N 0.00 1.01 0.24 -0.78 0.11 -1.54 -0.16 114.38 113.27 3i76 h ARG 70 Ca 0.00 -0.06 -0.34 0.00 0.10 0.00 0.00 59.98 59.68 3i76 h ARG 70 Cb 0.13 -0.23 0.03 0.00 1.11 0.00 0.00 29.97 31.01 3i76 h ARG 70 CO 0.00 0.67 -1.54 0.74 0.10 0.00 0.00 179.97 179.94 3i76 h PHE 71 N 1.05 0.93 -0.45 4.08 0.04 -1.86 -2.33 116.94 118.39 3i76 h PHE 71 Ca 0.37 -0.68 -0.05 0.00 2.80 0.00 0.00 57.97 60.41 3i76 h PHE 71 Cb 0.09 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3i76 h PHE 71 CO -0.02 1.59 0.08 0.66 -0.60 0.00 0.00 178.31 180.01 3i76 h SER 72 N 0.14 0.65 -0.42 2.17 4.64 -1.83 -1.25 113.55 117.66 3i76 h SER 72 Ca -0.27 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 60.80 3i76 h SER 72 Cb 2.16 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 64.07 3i76 h SER 72 CO 0.26 0.67 -0.21 0.00 -0.87 0.00 0.00 176.83 176.68 3i76 h ALA 73 N 1.41 0.76 0.16 5.18 0.00 -1.03 -1.11 119.26 124.64 3i76 h ALA 73 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3i76 h ALA 73 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3i76 h ALA 73 CO 0.00 0.66 -0.08 1.25 0.00 0.00 0.00 179.25 181.09 3i76 h LEU 74 N 0.80 -0.18 -1.53 0.00 5.85 -1.25 -3.01 115.31 115.99 3i76 h LEU 74 Ca 0.11 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3i76 h LEU 74 Cb 0.77 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3i76 h LEU 74 CO 0.06 0.03 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.98 3i76 h LEU 75 N -0.40 0.11 -1.22 2.25 3.38 -1.05 -2.50 115.31 115.88 3i76 h LEU 75 Ca -0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3i76 h LEU 75 Cb 0.31 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3i76 h LEU 75 CO 0.04 0.28 -0.04 0.50 0.09 0.00 0.00 178.44 179.30 3i76 h LYS 76 N 0.11 0.49 0.00 1.13 3.64 -1.07 -0.64 116.57 120.24 3i76 h LYS 76 Ca 0.02 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3i76 h LYS 76 Cb 0.34 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3i76 h LYS 76 CO 0.02 0.54 0.00 0.93 -2.27 0.00 0.00 179.45 178.68 3i76 h GLU 77 N 0.46 0.00 -0.24 1.90 5.08 -1.40 -2.47 114.58 117.91 3i76 h GLU 77 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3i76 h GLU 77 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3i76 h GLU 77 CO 0.02 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.69 3i76 n TYR 78 N -2.94 0.48 -0.98 4.33 4.02 -0.35 -4.97 117.16 116.75 3i76 n TYR 78 Ca -0.02 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.24 3i76 n TYR 78 Cb 0.13 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 3i76 n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i76 n GLY 79 N -0.06 0.40 3.54 2.72 0.00 -0.93 -5.04 105.19 105.81 3i76 n GLY 79 Ca 0.13 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 3i76 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i76 s TYR 80 N -2.00 3.06 -0.13 1.61 2.02 -0.56 -5.01 117.35 116.33 3i76 s TYR 80 Ca 0.00 -0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 3i76 s TYR 80 Cb 0.00 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3i76 s TYR 80 CO 0.00 0.08 0.41 -2.00 -1.57 0.00 0.00 175.55 172.47 3i76 s GLU 81 N 0.09 4.31 0.20 -0.62 2.12 -1.26 -3.15 118.70 120.39 3i76 s GLU 81 Ca 0.00 0.32 -0.17 0.00 0.36 0.00 0.00 54.97 55.48 3i76 s GLU 81 Cb -0.13 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.85 3i76 s GLU 81 CO 0.02 0.19 0.51 0.00 -0.54 0.00 0.00 175.26 175.44 3i76 s ALA 82 N 0.57 -0.84 -0.38 6.30 0.00 -1.26 -5.09 121.76 121.06 3i76 s ALA 82 Ca 0.22 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 3i76 s ALA 82 Cb -0.14 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3i76 s ALA 82 CO 0.08 -0.81 0.67 0.34 0.00 0.00 0.00 175.76 176.04 3i76 s ASP 83 N -2.89 6.42 0.45 0.00 -1.08 -1.26 -4.74 116.67 113.57 3i76 s ASP 83 Ca 0.11 0.06 0.20 0.00 -0.52 0.00 0.00 52.55 52.40 3i76 s ASP 83 Cb -0.01 -2.34 1.18 0.00 -1.46 0.00 0.00 42.92 40.29 3i76 s ASP 83 CO -0.02 -0.67 1.89 1.23 0.52 0.00 0.00 175.17 178.12 3i76 h GLY 84 N 9.55 0.61 1.30 2.66 0.00 -1.94 -2.05 103.07 113.20 3i76 h GLY 84 Ca -0.26 -0.14 -0.33 0.00 0.00 0.00 0.00 47.33 46.61 3i76 h GLY 84 CO 0.87 0.01 -1.46 0.00 0.00 0.00 0.00 176.54 175.95 3i76 h ALA 85 N 1.62 -0.13 -0.09 3.60 0.00 -1.89 -0.35 119.26 122.02 3i76 h ALA 85 Ca 0.42 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i76 h ALA 85 Cb 1.19 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i76 h ALA 85 CO -0.12 0.73 0.05 1.25 0.00 0.00 0.00 179.25 181.17 3i76 h LEU 86 N 0.14 0.12 -0.19 0.00 6.46 -1.87 -0.25 115.31 119.72 3i76 h LEU 86 Ca -0.24 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.45 3i76 h LEU 86 Cb 2.15 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 42.04 3i76 h LEU 86 CO 0.27 0.16 0.10 -0.07 -0.62 0.00 0.00 178.44 178.27 3i76 h LEU 87 N 0.07 0.16 -0.87 2.25 3.38 -1.37 -1.46 115.31 117.46 3i76 h LEU 87 Ca 0.03 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3i76 h LEU 87 Cb 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3i76 h LEU 87 CO -0.01 0.12 0.57 -0.08 0.09 0.00 0.00 178.44 179.13 3i76 h GLU 88 N 0.21 1.10 -0.84 1.13 4.57 -1.02 0.15 114.58 119.89 3i76 h GLU 88 Ca 0.08 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3i76 h GLU 88 Cb 0.01 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.31 3i76 h GLU 88 CO -0.05 0.73 0.42 0.37 -1.18 0.00 0.00 179.01 179.30 3i76 h GLN 89 N 1.13 1.19 -0.21 1.92 -0.00 -0.69 0.72 115.11 119.17 3i76 h GLN 89 Ca 0.33 -0.16 -0.07 0.00 -0.00 0.00 0.00 58.65 58.75 3i76 h GLN 89 Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.19 3i76 h GLN 89 CO -0.09 0.90 -0.15 0.87 0.00 0.00 0.00 178.83 180.36 3i76 h LYS 90 N 1.18 0.48 -0.34 1.69 1.57 -0.94 -3.04 116.57 117.17 3i76 h LYS 90 Ca 0.29 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3i76 h LYS 90 Cb 0.09 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 3i76 h LYS 90 CO -0.04 0.79 0.00 -0.92 -0.57 0.00 0.00 179.45 178.71 3i76 h TYR 91 N 0.17 -0.01 0.00 -1.35 3.20 -0.44 -1.12 116.97 117.43 3i76 h TYR 91 Ca 0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3i76 h TYR 91 Cb 0.67 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3i76 h TYR 91 CO 0.07 -0.06 -0.24 0.07 -1.64 0.00 0.00 178.16 176.37 3i76 h ARG 92 N 0.10 0.00 0.09 1.82 0.11 -0.87 -1.26 114.38 114.37 3i76 h ARG 92 Ca 0.16 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.97 3i76 h ARG 92 Cb 0.22 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.32 3i76 h ARG 92 CO -0.27 0.24 -1.17 0.00 0.10 0.00 0.00 179.97 178.86 3i76 h ARG 93 N 0.00 0.50 0.00 0.08 2.47 -1.30 -3.14 114.38 112.99 3i76 h ARG 93 Ca -0.00 -0.66 -0.02 0.00 -1.26 0.00 0.00 59.98 58.04 3i76 h ARG 93 Cb 0.55 0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 3i76 h ARG 93 CO 0.03 1.28 -0.09 0.74 0.56 0.00 0.00 179.97 182.49 3i76 h PHE 94 N 0.22 0.00 -0.08 3.04 0.04 -0.41 -1.54 116.94 118.21 3i76 h PHE 94 Ca -0.15 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.64 3i76 h PHE 94 Cb 1.85 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.99 3i76 h PHE 94 CO 0.09 0.09 0.08 -0.07 -0.60 0.00 0.00 178.31 177.90 3i76 h LEU 95 N 0.00 0.00 -2.08 1.54 3.38 -1.20 -1.99 115.31 114.95 3i76 h LEU 95 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3i76 h LEU 95 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i76 h LEU 95 CO 0.01 0.00 0.34 -0.33 0.09 0.00 0.00 178.44 178.55 3i76 h GLU 96 N 0.00 0.00 0.00 1.13 5.08 -1.39 -2.67 114.58 116.73 3i76 h GLU 96 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3i76 h GLU 96 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3i76 h GLU 96 CO -0.00 0.00 -0.34 0.39 -1.00 0.00 0.00 179.01 178.06 3i76 n GLU 97 N -3.74 0.01 -3.08 2.33 -0.58 -0.75 -4.57 120.64 110.27 3i76 n GLU 97 Ca 0.05 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.36 3i76 n GLU 97 Cb 0.49 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.79 3i76 n GLU 97 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i76 s GLY 98 N -3.03 1.68 -0.08 0.62 0.00 -1.01 -4.86 107.32 100.65 3i76 s GLY 98 Ca 0.12 -1.51 0.17 0.00 0.00 0.00 0.00 44.72 43.50 3i76 s GLY 98 CO 0.64 1.61 1.16 -2.39 0.00 0.00 0.00 173.10 174.12 3i76 n HIS 99 N 6.47 0.00 -2.23 1.90 1.44 -1.26 -4.86 115.22 116.68 3i76 n HIS 99 Ca -0.04 -0.80 -0.37 0.00 -2.01 0.00 0.00 57.72 54.50 3i76 n HIS 99 Cb 0.46 -0.17 -0.01 0.00 0.12 0.00 0.00 29.99 30.40 3i76 n HIS 99 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3i76 s GLN 100 N -1.32 3.78 0.17 -1.40 -1.52 -1.26 -4.43 119.66 113.68 3i76 s GLN 100 Ca 0.31 1.83 -0.02 0.00 -1.95 0.00 0.00 55.36 55.53 3i76 s GLN 100 Cb 0.32 -2.46 -0.05 0.00 -0.22 0.00 0.00 33.01 30.60 3i76 s GLN 100 CO -0.10 -0.54 0.37 -0.51 -0.25 0.00 0.00 175.29 174.26 3i76 s LEU 101 N -2.93 4.25 0.51 2.90 1.43 -1.26 -0.67 118.68 122.90 3i76 s LEU 101 Ca 0.63 0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 53.96 3i76 s LEU 101 Cb -0.30 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 3i76 s LEU 101 CO 0.37 0.01 1.23 -0.63 0.23 0.00 0.00 176.35 177.56 3i76 s ILE 102 N -1.77 2.72 0.05 -0.59 -1.09 -0.34 -4.43 121.20 115.74 3i76 s ILE 102 Ca 0.39 0.52 -0.34 0.00 -2.23 0.00 0.00 60.65 58.99 3i76 s ILE 102 Cb -0.12 -3.26 -0.13 0.00 -1.58 0.00 0.00 42.46 37.38 3i76 s ILE 102 CO 0.27 -0.02 1.70 -0.67 -1.23 0.00 0.00 174.94 175.00 3i76 n ASP 103 N -0.82 3.20 0.00 3.58 2.03 -1.26 -1.63 116.55 121.64 3i76 n ASP 103 Ca 0.09 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3i76 n ASP 103 Cb 0.47 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 3i76 n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i76 n GLY 104 N 3.83 0.68 0.16 0.27 0.00 -1.26 -4.53 105.19 104.34 3i76 n GLY 104 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3i76 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i76 h ALA 105 N 0.00 0.35 -0.22 4.61 0.00 -1.62 -2.43 119.26 119.93 3i76 h ALA 105 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i76 h ALA 105 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i76 h ALA 105 CO 0.00 0.11 0.14 0.35 0.00 0.00 0.00 179.25 179.85 3i76 h PHE 106 N 0.23 0.29 -0.44 0.00 3.57 -1.91 -0.15 116.94 118.52 3i76 h PHE 106 Ca 0.07 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3i76 h PHE 106 Cb 0.47 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3i76 h PHE 106 CO 0.04 0.20 0.04 -0.44 -2.23 0.00 0.00 178.31 175.92 3i76 h ASP 107 N 0.29 0.72 0.14 0.41 3.32 -1.97 -0.57 116.42 118.75 3i76 h ASP 107 Ca 0.08 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3i76 h ASP 107 Cb -0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3i76 h ASP 107 CO -0.02 0.82 -0.10 0.25 -1.72 0.00 0.00 179.24 178.48 3i76 h LEU 108 N 0.60 -0.25 -0.58 1.55 5.85 -1.27 -0.66 115.31 120.55 3i76 h LEU 108 Ca 0.13 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3i76 h LEU 108 Cb 0.43 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3i76 h LEU 108 CO 0.01 -0.16 0.25 0.40 -0.34 0.00 0.00 178.44 178.60 3i76 h ILE 109 N -0.24 1.22 -0.32 4.05 1.08 -0.91 0.18 117.51 122.56 3i76 h ILE 109 Ca -0.01 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.81 3i76 h ILE 109 Cb 0.21 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 3i76 h ILE 109 CO -0.00 0.26 0.16 -1.28 -0.69 0.00 0.00 178.15 176.60 3i76 h SER 110 N 0.80 0.24 -0.42 1.72 0.87 -0.96 -1.23 113.55 114.56 3i76 h SER 110 Ca 0.20 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3i76 h SER 110 Cb 0.18 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3i76 h SER 110 CO -0.02 0.18 0.09 0.78 -0.53 0.00 0.00 176.83 177.33 3i76 h ASN 111 N 0.33 0.65 0.79 6.23 2.35 -0.88 -3.17 115.58 121.89 3i76 h ASN 111 Ca 0.13 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 3i76 h ASN 111 Cb 0.05 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3i76 h ASN 111 CO -0.09 0.72 -0.33 -0.07 -1.65 0.00 0.00 177.43 176.01 3i76 h LEU 112 N 0.55 0.00 -1.59 1.61 3.38 -0.60 -2.75 115.31 115.91 3i76 h LEU 112 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3i76 h LEU 112 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3i76 h LEU 112 CO 0.00 0.33 -0.06 -0.61 0.09 0.00 0.00 178.44 178.19 3i76 h GLN 113 N 0.00 0.18 0.00 1.13 -0.00 -1.20 0.50 115.11 115.73 3i76 h GLN 113 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 3i76 h GLN 113 Cb 0.82 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.26 3i76 h GLN 113 CO 0.04 0.26 0.00 1.04 0.00 0.00 0.00 178.83 180.17 3i76 n GLN 114 N -4.36 0.22 0.00 1.69 6.02 -1.04 -4.07 117.38 115.84 3i76 n GLN 114 Ca -0.01 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 3i76 n GLN 114 Cb 0.20 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.59 3i76 n GLN 114 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i76 n GLN 115 N -2.27 2.92 -4.23 -1.09 6.02 -0.73 -5.09 117.38 112.90 3i76 n GLN 115 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 3i76 n GLN 115 Cb 0.27 -0.28 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 3i76 n GLN 115 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i76 s PHE 116 N -0.46 1.19 -0.23 1.08 0.08 0.09 -4.99 117.98 114.74 3i76 s PHE 116 Ca 0.00 -1.03 -0.19 0.00 0.12 0.00 0.00 56.93 55.83 3i76 s PHE 116 Cb 0.00 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 3i76 s PHE 116 CO 0.00 -0.23 0.54 -0.51 -0.10 0.00 0.00 175.22 174.92 3i76 s ASP 117 N -3.16 6.52 -0.13 1.36 1.01 -0.28 -4.53 116.67 117.45 3i76 s ASP 117 Ca 0.24 0.63 -0.05 0.00 0.71 0.00 0.00 52.55 54.08 3i76 s ASP 117 Cb 0.06 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3i76 s ASP 117 CO 0.04 -0.25 0.04 -0.76 0.21 0.00 0.00 175.17 174.45 3i76 s LEU 118 N 2.02 3.78 0.13 1.23 1.43 -1.26 -1.26 118.68 124.76 3i76 s LEU 118 Ca 0.23 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3i76 s LEU 118 Cb -0.16 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3i76 s LEU 118 CO 0.09 0.29 -0.12 -0.31 0.23 0.00 0.00 176.35 176.53 3i76 s TYR 119 N -0.35 1.34 -0.13 0.29 2.02 0.06 -1.22 117.35 119.36 3i76 s TYR 119 Ca 0.08 -0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 3i76 s TYR 119 Cb -0.12 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 3i76 s TYR 119 CO 0.02 0.13 -0.02 0.42 -1.57 0.00 0.00 175.55 174.52 3i76 s ILE 120 N -2.55 4.06 -0.20 2.71 -1.09 -0.89 -0.44 121.20 122.81 3i76 s ILE 120 Ca 0.11 -0.32 -0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3i76 s ILE 120 Cb -0.02 -2.75 0.05 0.00 -1.58 0.00 0.00 42.46 38.16 3i76 s ILE 120 CO 0.02 0.54 -0.05 0.68 -1.23 0.00 0.00 174.94 174.90 3i76 s VAL 121 N -0.16 1.29 -0.06 2.92 -7.23 -0.12 -1.11 120.40 115.92 3i76 s VAL 121 Ca 0.04 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.30 3i76 s VAL 121 Cb -0.13 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.34 3i76 s VAL 121 CO 0.02 0.03 0.14 0.28 -0.31 0.00 0.00 175.10 175.26 3i76 s THR 122 N 1.54 -0.04 -0.22 5.32 -1.32 -0.84 -3.88 115.64 116.19 3i76 s THR 122 Ca -0.02 0.14 -0.27 0.00 -1.21 0.00 0.00 61.69 60.33 3i76 s THR 122 Cb -0.17 -0.22 -0.00 0.00 -1.51 0.00 0.00 72.50 70.60 3i76 s THR 122 CO -0.07 0.06 0.91 0.20 -2.21 0.00 0.00 174.62 173.51 3i76 s ASN 123 N 0.90 6.97 0.00 8.08 0.01 -1.26 -0.60 114.94 129.04 3i76 s ASN 123 Ca -0.07 1.21 0.00 0.00 -0.71 0.00 0.00 52.86 53.29 3i76 s ASN 123 Cb -0.09 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.09 3i76 s ASN 123 CO -0.04 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.61 3i76 n GLY 124 N 3.51 -0.98 3.76 0.66 0.00 -1.26 -4.92 105.19 105.96 3i76 n GLY 124 Ca 0.08 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 3i76 n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i76 s VAL 125 N -3.00 5.12 0.10 1.61 1.01 -1.26 -3.35 120.40 120.64 3i76 s VAL 125 Ca 0.00 0.91 -0.27 0.00 0.00 0.00 0.00 61.98 62.62 3i76 s VAL 125 Cb 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 3i76 s VAL 125 CO 0.00 0.42 1.65 -1.28 0.00 0.00 0.00 175.10 175.89 3i76 h SER 126 N 6.01 -0.65 -0.81 3.32 0.87 -1.94 -0.95 113.55 119.39 3i76 h SER 126 Ca -0.45 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.22 3i76 h SER 126 Cb 1.19 0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 63.34 3i76 h SER 126 CO 0.71 -0.33 0.52 -0.74 -0.53 0.00 0.00 176.83 176.45 3i76 h HIS 127 N -0.47 0.97 -0.34 2.24 -0.00 -2.00 -1.69 115.15 113.86 3i76 h HIS 127 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3i76 h HIS 127 Cb 0.46 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 3i76 h HIS 127 CO -0.19 0.55 0.19 1.15 -0.00 0.00 0.00 177.93 179.63 3i76 h THR 128 N 1.00 1.14 -0.23 6.26 2.02 -1.87 -1.88 112.91 119.36 3i76 h THR 128 Ca 0.33 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 3i76 h THR 128 Cb 0.02 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3i76 h THR 128 CO -0.12 0.14 -0.33 1.56 0.37 0.00 0.00 175.52 177.15 3i76 h GLN 129 N 0.43 0.62 -0.37 6.66 1.08 -0.90 -2.12 115.11 120.52 3i76 h GLN 129 Ca 0.12 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 3i76 h GLN 129 Cb 0.06 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 3i76 h GLN 129 CO -0.02 0.98 0.20 1.88 -0.95 0.00 0.00 178.83 180.92 3i76 h TYR 130 N 0.32 0.51 -0.26 2.96 -1.99 -1.30 -0.23 116.97 116.98 3i76 h TYR 130 Ca 0.02 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.77 3i76 h TYR 130 Cb 0.91 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 39.45 3i76 h TYR 130 CO 0.08 0.40 0.06 -0.22 -0.00 0.00 0.00 178.16 178.48 3i76 h LYS 131 N 0.47 0.16 -0.82 4.88 3.64 -1.29 0.41 116.57 124.02 3i76 h LYS 131 Ca 0.13 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3i76 h LYS 131 Cb 0.06 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3i76 h LYS 131 CO -0.02 0.11 0.40 0.00 -2.27 0.00 0.00 179.45 177.67 3i76 h ARG 132 N 0.17 1.18 -0.57 1.90 3.08 -1.28 0.24 114.38 119.10 3i76 h ARG 132 Ca 0.12 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3i76 h ARG 132 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3i76 h ARG 132 CO -0.14 0.90 0.03 -0.07 -1.07 0.00 0.00 179.97 179.62 3i76 h LEU 133 N 1.16 0.96 -0.00 3.04 3.38 -0.60 -0.17 115.31 123.08 3i76 h LEU 133 Ca 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i76 h LEU 133 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3i76 h LEU 133 CO -0.04 1.02 -0.00 0.03 0.09 0.00 0.00 178.44 179.54 3i76 h ARG 134 N 0.87 0.00 0.00 1.13 3.08 -0.66 -2.05 114.38 116.76 3i76 h ARG 134 Ca 0.16 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3i76 h ARG 134 Cb 0.51 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3i76 h ARG 134 CO 0.02 0.35 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.66 3i76 h ASP 135 N -0.34 0.00 1.10 7.04 3.32 -0.48 -1.47 116.42 125.59 3i76 h ASP 135 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i76 h ASP 135 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3i76 h ASP 135 CO 0.00 0.18 0.00 -1.54 -1.72 0.00 0.00 179.24 176.16 3i76 n SER 136 N -4.14 0.32 0.00 6.45 3.41 -0.08 -4.92 113.62 114.66 3i76 n SER 136 Ca -0.02 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3i76 n SER 136 Cb 0.25 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3i76 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i76 n GLY 137 N 1.21 0.78 0.12 5.00 0.00 -0.55 -4.94 105.19 106.80 3i76 n GLY 137 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3i76 n GLY 137 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i76 h LEU 138 N 0.00 0.00 -0.62 0.99 3.38 -1.62 -3.40 115.31 114.04 3i76 h LEU 138 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3i76 h LEU 138 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 3i76 h LEU 138 CO 0.00 0.49 -0.22 0.15 0.09 0.00 0.00 178.44 178.94 3i76 h PHE 139 N 0.00 -0.55 0.00 1.13 3.57 -1.72 -2.42 116.94 116.95 3i76 h PHE 139 Ca -0.08 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3i76 h PHE 139 Cb 1.44 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.52 3i76 h PHE 139 CO 0.00 -0.32 0.00 -0.35 -2.23 0.00 0.00 178.31 175.41 3i76 n PRO 140 N -5.44 0.07 0.00 6.41 -0.05 -1.26 -2.60 135.00 132.13 3i76 n PRO 140 Ca 0.07 0.25 0.14 0.00 -0.05 0.00 0.00 63.50 63.90 3i76 n PRO 140 Cb 0.35 -1.50 0.56 0.00 -0.05 0.00 0.00 33.50 32.86 3i76 n PRO 140 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3i76 n PHE 141 N -1.41 0.00 -4.35 0.54 3.72 -0.91 -4.86 117.46 110.19 3i76 n PHE 141 Ca 0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.10 3i76 n PHE 141 Cb 0.12 -0.23 -0.11 0.00 -0.94 0.00 0.00 39.48 38.32 3i76 n PHE 141 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3i76 s PHE 142 N -2.61 3.11 0.15 1.38 0.08 -1.07 -4.62 117.98 114.39 3i76 s PHE 142 Ca 0.24 -0.01 -0.17 0.00 0.12 0.00 0.00 56.93 57.11 3i76 s PHE 142 Cb 0.20 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3i76 s PHE 142 CO 0.51 0.24 1.75 0.87 -0.10 0.00 0.00 175.22 178.49 3i76 h LYS 143 N 5.93 0.24 -3.28 0.44 6.56 -1.50 -3.47 116.57 121.50 3i76 h LYS 143 Ca -0.42 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.15 3i76 h LYS 143 Cb 1.19 -0.05 -0.09 0.00 -0.57 0.00 0.00 32.23 32.70 3i76 h LYS 143 CO 0.60 0.16 0.05 0.34 -2.06 0.00 0.00 179.45 178.54 3i76 s ASP 144 N -5.35 -0.26 -0.05 0.86 -1.08 -1.25 -5.09 116.67 104.46 3i76 s ASP 144 Ca -0.13 -0.52 -0.02 0.00 -0.52 0.00 0.00 52.55 51.36 3i76 s ASP 144 Cb 0.11 0.60 0.03 0.00 -1.46 0.00 0.00 42.92 42.21 3i76 s ASP 144 CO 0.70 -1.10 0.09 -0.63 0.52 0.00 0.00 175.17 174.75 3i76 s ILE 145 N -3.89 -0.12 -0.50 4.11 1.01 -1.26 -2.09 121.20 118.45 3i76 s ILE 145 Ca 0.10 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.13 3i76 s ILE 145 Cb -0.02 -0.18 0.13 0.00 0.01 0.00 0.00 42.46 42.40 3i76 s ILE 145 CO -0.01 0.14 0.24 -0.36 0.00 0.00 0.00 174.94 174.95 3i76 s PHE 146 N 1.82 3.28 -0.03 3.97 0.08 -0.27 -4.96 117.98 121.88 3i76 s PHE 146 Ca -0.00 -3.13 -0.26 0.00 0.12 0.00 0.00 56.93 53.66 3i76 s PHE 146 Cb -0.12 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 3i76 s PHE 146 CO -0.04 -0.78 0.79 0.08 -0.10 0.00 0.00 175.22 175.18 3i76 s VAL 147 N -0.11 4.94 0.24 -0.44 1.01 -1.26 -2.00 120.40 122.78 3i76 s VAL 147 Ca 0.16 1.66 -0.06 0.00 0.00 0.00 0.00 61.98 63.74 3i76 s VAL 147 Cb -0.25 -4.14 0.24 0.00 0.00 0.00 0.00 36.38 32.23 3i76 s VAL 147 CO -0.01 0.25 1.67 0.77 0.00 0.00 0.00 175.10 177.78 3i76 h SER 148 N 6.57 -0.09 -0.92 3.32 4.64 -1.06 0.96 113.55 126.97 3i76 h SER 148 Ca -0.42 0.16 0.20 0.00 -0.47 0.00 0.00 61.79 61.26 3i76 h SER 148 Cb 1.20 0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 63.46 3i76 h SER 148 CO 0.74 -0.08 0.60 -0.08 -0.87 0.00 0.00 176.83 177.15 3i76 h GLU 149 N 0.22 0.46 0.00 4.77 4.81 -1.75 -0.65 114.58 122.43 3i76 h GLU 149 Ca 0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3i76 h GLU 149 Cb 0.70 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3i76 h GLU 149 CO -0.54 0.30 0.00 -0.44 -0.73 0.00 0.00 179.01 177.60 3i76 h ASP 150 N 0.47 0.00 0.00 1.04 3.32 -1.13 -3.34 116.42 116.78 3i76 h ASP 150 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3i76 h ASP 150 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3i76 h ASP 150 CO -0.21 0.00 -1.57 0.35 -1.72 0.00 0.00 179.24 176.09 3i76 n THR 151 N -2.31 0.00 -0.27 0.35 -2.24 -0.26 -4.98 114.28 104.57 3i76 n THR 151 Ca 0.05 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3i76 n THR 151 Cb 0.39 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3i76 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i76 n GLY 152 N 1.41 1.66 0.51 3.38 0.00 -1.15 -5.01 105.19 105.98 3i76 n GLY 152 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3i76 n GLY 152 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i76 n PHE 153 N -2.00 -0.03 -3.62 1.61 3.72 -1.25 -5.07 117.46 110.82 3i76 n PHE 153 Ca 0.00 -0.42 -0.14 0.00 -0.05 0.00 0.00 57.45 56.84 3i76 n PHE 153 Cb 0.00 0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.50 3i76 n PHE 153 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3i76 s GLN 154 N -2.23 0.96 0.30 -1.08 -2.07 -1.26 -4.37 119.66 109.91 3i76 s GLN 154 Ca 0.04 -0.22 -0.29 0.00 -1.82 0.00 0.00 55.36 53.07 3i76 s GLN 154 Cb 0.00 0.44 -0.13 0.00 -1.09 0.00 0.00 33.01 32.23 3i76 s GLN 154 CO 0.03 -0.33 1.33 1.63 -1.32 0.00 0.00 175.29 176.63 3i76 n LYS 155 N 0.59 2.07 -0.56 9.60 5.02 -1.26 -1.18 118.16 132.44 3i76 n LYS 155 Ca -0.19 0.73 0.06 0.00 -2.02 0.00 0.00 58.31 56.89 3i76 n LYS 155 Cb 0.59 -2.33 0.29 0.00 -0.02 0.00 0.00 35.03 33.56 3i76 n LYS 155 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i76 n PRO 156 N 1.19 3.45 -1.90 1.97 -0.04 -1.26 -4.87 135.00 133.54 3i76 n PRO 156 Ca 0.08 -2.26 -0.42 0.00 -0.04 0.00 0.00 63.50 60.86 3i76 n PRO 156 Cb 0.34 -1.89 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 3i76 n PRO 156 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i76 s MET 157 N -2.01 4.20 0.41 0.54 -1.94 -0.32 -4.48 119.30 115.71 3i76 s MET 157 Ca 0.40 2.42 0.16 0.00 -1.71 0.00 0.00 55.69 56.96 3i76 s MET 157 Cb 0.28 -3.09 1.04 0.00 2.01 0.00 0.00 34.83 35.07 3i76 s MET 157 CO 0.16 -0.55 1.87 -0.22 -0.01 0.00 0.00 175.02 176.27 3i76 h LYS 158 N 5.49 0.43 0.00 2.03 3.64 -1.93 -0.52 116.57 125.71 3i76 h LYS 158 Ca -0.45 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 3i76 h LYS 158 Cb 1.21 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3i76 h LYS 158 CO 0.82 0.29 -0.47 0.93 -2.27 0.00 0.00 179.45 178.75 3i76 h GLU 159 N 0.45 0.00 0.23 1.90 3.07 -1.92 0.10 114.58 118.40 3i76 h GLU 159 Ca 0.45 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 3i76 h GLU 159 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3i76 h GLU 159 CO -0.17 0.47 -0.11 -0.92 -1.40 0.00 0.00 179.01 176.88 3i76 h TYR 160 N 0.00 -0.28 -0.47 4.33 3.20 -1.35 -2.20 116.97 120.19 3i76 h TYR 160 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3i76 h TYR 160 Cb 0.93 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 3i76 h TYR 160 CO 0.00 -0.07 0.00 0.74 -1.64 0.00 0.00 178.16 177.19 3i76 h PHE 161 N -0.44 0.83 -0.88 -3.82 0.04 -1.19 -1.53 116.94 109.94 3i76 h PHE 161 Ca -0.03 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 3i76 h PHE 161 Cb 0.33 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 3i76 h PHE 161 CO -0.02 0.76 0.52 -0.91 -0.60 0.00 0.00 178.31 178.06 3i76 h ASN 162 N 0.73 1.07 -0.76 2.17 2.35 -0.83 0.18 115.58 120.49 3i76 h ASN 162 Ca 0.14 -0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 3i76 h ASN 162 Cb 0.44 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 3i76 h ASN 162 CO 0.02 0.83 0.47 0.22 -1.65 0.00 0.00 177.43 177.32 3i76 h TYR 163 N 1.22 0.87 0.06 1.19 3.20 -0.71 -1.86 116.97 120.95 3i76 h TYR 163 Ca 0.32 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 3i76 h TYR 163 Cb -0.03 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.95 3i76 h TYR 163 CO 0.00 0.48 -0.03 0.28 -1.64 0.00 0.00 178.16 177.25 3i76 h VAL 164 N 0.90 1.15 -0.73 1.81 2.07 -0.61 -3.27 116.25 117.56 3i76 h VAL 164 Ca 0.31 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3i76 h VAL 164 Cb 0.07 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3i76 h VAL 164 CO -0.13 0.18 0.42 -0.26 0.02 0.00 0.00 177.57 177.80 3i76 h PHE 165 N -0.42 0.98 -0.51 1.57 0.04 -0.57 -1.49 116.94 116.55 3i76 h PHE 165 Ca -0.01 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.90 3i76 h PHE 165 Cb 0.37 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3i76 h PHE 165 CO 0.04 0.67 0.46 0.93 -0.60 0.00 0.00 178.31 179.81 3i76 h GLU 166 N 1.02 0.00 -0.38 1.51 5.08 -1.39 -2.65 114.58 117.77 3i76 h GLU 166 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3i76 h GLU 166 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i76 h GLU 166 CO -0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.50 3i76 n ARG 167 N -3.93 3.29 -3.86 2.33 1.74 -0.57 -4.84 116.66 110.82 3i76 n ARG 167 Ca 0.10 -2.72 -0.36 0.00 -0.77 0.00 0.00 57.85 54.10 3i76 n ARG 167 Cb 0.67 -1.78 -0.13 0.00 -1.02 0.00 0.00 32.46 30.20 3i76 n ARG 167 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i76 s ILE 168 N -2.25 3.35 0.28 0.55 1.01 -1.00 -5.04 121.20 118.10 3i76 s ILE 168 Ca 0.41 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 3i76 s ILE 168 Cb 0.30 -2.77 -0.11 0.00 0.01 0.00 0.00 42.46 39.89 3i76 s ILE 168 CO 0.14 0.07 1.53 -2.16 0.00 0.00 0.00 174.94 174.52 3i76 s PRO 169 N 1.38 4.18 -1.10 2.79 0.04 -1.26 -2.65 135.00 138.38 3i76 s PRO 169 Ca -0.00 2.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.46 3i76 s PRO 169 Cb -0.18 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3i76 s PRO 169 CO -0.01 -0.55 0.62 1.04 0.04 0.00 0.00 177.00 178.14 3i76 n GLN 170 N 2.17 -4.51 -1.97 4.56 1.13 -1.26 -4.89 117.38 112.61 3i76 n GLN 170 Ca 0.07 0.65 -0.42 0.00 -1.94 0.00 0.00 57.00 55.37 3i76 n GLN 170 Cb 0.39 -5.03 -0.03 0.00 0.11 0.00 0.00 30.24 25.68 3i76 n GLN 170 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3i76 s PHE 171 N -3.10 3.09 -0.24 1.08 2.19 -1.09 -4.99 117.98 114.92 3i76 s PHE 171 Ca 0.31 0.69 -0.02 0.00 0.33 0.00 0.00 56.93 58.23 3i76 s PHE 171 Cb -0.13 -3.89 0.08 0.00 -1.31 0.00 0.00 43.02 37.77 3i76 s PHE 171 CO 0.38 -3.24 0.07 0.45 1.83 0.00 0.00 175.22 174.71 3i76 s SER 172 N 1.10 3.33 0.32 6.13 0.15 -1.26 -5.02 113.70 118.44 3i76 s SER 172 Ca 0.69 -1.13 0.05 0.00 0.70 0.00 0.00 55.95 56.26 3i76 s SER 172 Cb -0.43 -0.63 0.70 0.00 -1.71 0.00 0.00 66.02 63.96 3i76 s SER 172 CO 0.32 -0.36 1.84 0.00 1.20 0.00 0.00 173.24 176.23 3i76 h ALA 173 N 8.23 1.69 -0.06 5.45 0.00 -1.94 -0.76 119.26 131.87 3i76 h ALA 173 Ca -0.16 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i76 h ALA 173 Cb 1.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3i76 h ALA 173 CO 0.39 0.04 0.02 1.49 0.00 0.00 0.00 179.25 181.20 3i76 h GLU 174 N 0.82 0.08 -0.50 0.00 4.81 -1.96 -2.46 114.58 115.37 3i76 h GLU 174 Ca 0.50 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.63 3i76 h GLU 174 Cb 0.68 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 3i76 h GLU 174 CO -0.27 0.07 0.08 0.72 -0.73 0.00 0.00 179.01 178.88 3i76 n HIS 175 N -4.51 1.72 -5.03 0.92 8.25 -0.30 -4.93 115.22 111.33 3i76 n HIS 175 Ca -0.02 -1.03 -0.28 0.00 -0.26 0.00 0.00 57.72 56.13 3i76 n HIS 175 Cb 0.10 -0.50 -0.16 0.00 1.12 0.00 0.00 29.99 30.55 3i76 n HIS 175 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i76 s THR 176 N -2.92 1.66 -0.05 1.59 2.01 -0.93 -0.49 115.64 116.52 3i76 s THR 176 Ca 0.50 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.64 3i76 s THR 176 Cb 0.40 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3i76 s THR 176 CO 0.11 0.47 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.14 3i76 s LEU 177 N -0.41 1.84 -0.16 4.42 2.96 -0.67 -3.67 118.68 122.98 3i76 s LEU 177 Ca 0.06 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3i76 s LEU 177 Cb -0.09 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 3i76 s LEU 177 CO -0.00 0.11 0.09 -0.51 -1.32 0.00 0.00 176.35 174.72 3i76 s ILE 178 N 0.23 5.07 -0.23 6.68 2.07 -0.74 -0.81 121.20 133.47 3i76 s ILE 178 Ca -0.07 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 3i76 s ILE 178 Cb -0.12 -3.26 0.04 0.00 0.13 0.00 0.00 42.46 39.25 3i76 s ILE 178 CO 0.03 0.51 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.79 3i76 s ILE 179 N -0.07 2.08 0.29 2.00 1.09 -0.18 -0.22 121.20 126.19 3i76 s ILE 179 Ca 0.08 -1.34 -0.20 0.00 -1.10 0.00 0.00 60.65 58.10 3i76 s ILE 179 Cb -0.12 -2.08 0.02 0.00 -1.06 0.00 0.00 42.46 39.22 3i76 s ILE 179 CO 0.01 0.19 0.71 -0.83 -0.10 0.00 0.00 174.94 174.91 3i76 s GLY 180 N 1.19 0.00 0.00 6.18 0.00 -0.74 -1.40 107.32 112.57 3i76 s GLY 180 Ca -0.03 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 44.51 3i76 s GLY 180 CO -0.08 -0.15 0.88 2.09 0.00 0.00 0.00 173.10 175.83 3i76 n ASP 181 N -0.54 0.70 -4.56 1.64 5.75 -1.26 -0.68 116.55 117.59 3i76 n ASP 181 Ca -0.04 -0.60 -0.39 0.00 -0.01 0.00 0.00 54.79 53.74 3i76 n ASP 181 Cb 0.59 1.10 -0.11 0.00 -1.03 0.00 0.00 41.12 41.68 3i76 n ASP 181 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3i76 s SER 182 N -3.47 6.06 0.27 -1.12 0.15 -1.26 -4.77 113.70 109.57 3i76 s SER 182 Ca 0.04 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 3i76 s SER 182 Cb 0.15 -2.14 0.45 0.00 -1.71 0.00 0.00 66.02 62.77 3i76 s SER 182 CO 0.85 -0.15 1.87 -0.07 1.20 0.00 0.00 173.24 176.94 3i76 h LEU 183 N 8.46 1.01 0.15 3.45 3.38 -1.96 -1.48 115.31 128.32 3i76 h LEU 183 Ca -0.33 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.38 3i76 h LEU 183 Cb 1.17 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.74 3i76 h LEU 183 CO 0.60 0.61 -1.36 0.71 0.09 0.00 0.00 178.44 179.09 3i76 h THR 184 N 1.13 1.14 0.10 0.22 1.35 -1.95 0.17 112.91 115.06 3i76 h THR 184 Ca 0.45 -2.48 -0.15 0.00 -0.55 0.00 0.00 66.41 63.68 3i76 h THR 184 Cb 0.26 2.85 0.01 0.00 -1.73 0.00 0.00 68.15 69.55 3i76 h THR 184 CO -0.20 0.74 -0.69 0.00 -0.25 0.00 0.00 175.52 175.12 3i76 h ALA 185 N 0.03 -0.03 0.00 6.62 0.00 -1.89 -3.20 119.26 120.78 3i76 h ALA 185 Ca -0.27 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 53.79 3i76 h ALA 185 Cb 1.84 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 3i76 h ALA 185 CO 0.12 0.34 -1.07 -0.25 0.00 0.00 0.00 179.25 178.39 3i76 n ASP 186 N -4.23 1.85 0.03 0.00 8.00 -0.62 -3.54 116.55 118.05 3i76 n ASP 186 Ca -0.15 0.49 -0.12 0.00 0.71 0.00 0.00 54.79 55.73 3i76 n ASP 186 Cb 0.74 -0.90 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 3i76 n ASP 186 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3i76 h ILE 187 N -1.00 1.05 -0.48 0.53 1.08 -1.44 0.43 117.51 117.68 3i76 h ILE 187 Ca -0.22 -1.20 -0.03 0.00 -0.39 0.00 0.00 64.86 63.02 3i76 h ILE 187 Cb 1.00 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.47 3i76 h ILE 187 CO -0.13 0.26 0.19 0.50 -0.69 0.00 0.00 178.15 178.28 3i76 h LYS 188 N -0.77 0.71 -0.24 2.37 3.64 -1.05 -1.30 116.57 119.92 3i76 h LYS 188 Ca -0.02 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3i76 h LYS 188 Cb 0.55 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 3i76 h LYS 188 CO 0.03 0.64 -0.06 0.78 -2.27 0.00 0.00 179.45 178.56 3i76 h GLY 189 N 0.63 0.17 0.98 5.01 0.00 -1.60 -1.21 103.07 107.07 3i76 h GLY 189 Ca 0.16 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 3i76 h GLY 189 CO -0.01 -0.09 0.21 -1.33 0.00 0.00 0.00 176.54 175.32 3i76 h GLY 190 N -0.00 0.50 0.85 4.60 0.00 -0.68 -2.39 103.07 105.96 3i76 h GLY 190 Ca 0.12 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.25 3i76 h GLY 190 CO -0.25 0.20 -0.08 -1.61 0.00 0.00 0.00 176.54 174.80 3i76 h GLN 191 N 0.46 -0.16 -0.07 4.80 4.15 -1.00 0.80 115.11 124.09 3i76 h GLN 191 Ca 0.13 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 3i76 h GLN 191 Cb -0.00 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3i76 h GLN 191 CO -0.02 -0.10 -0.10 -0.07 -1.93 0.00 0.00 178.83 176.60 3i76 h LEU 192 N -0.16 0.09 -2.18 -2.39 3.38 -1.16 -0.92 115.31 111.96 3i76 h LEU 192 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i76 h LEU 192 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i76 h LEU 192 CO -0.05 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.69 3i76 n ALA 193 N -2.51 2.91 -1.18 1.53 0.00 -0.80 -4.92 120.51 115.54 3i76 n ALA 193 Ca -0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 53.44 52.40 3i76 n ALA 193 Cb 0.21 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 3i76 n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i76 n GLY 194 N 0.82 0.39 3.83 0.00 0.00 -0.35 -5.03 105.19 104.85 3i76 n GLY 194 Ca 0.17 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3i76 n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i76 s LEU 195 N -0.04 4.01 0.60 0.99 1.43 0.21 -4.63 118.68 121.25 3i76 s LEU 195 Ca 0.00 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 3i76 s LEU 195 Cb 0.00 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 3i76 s LEU 195 CO 0.00 0.16 1.19 -1.81 0.23 0.00 0.00 176.35 176.12 3i76 s ASP 196 N -2.52 5.18 0.00 2.29 1.01 -1.24 -4.06 116.67 117.32 3i76 s ASP 196 Ca 0.32 2.35 0.02 0.00 0.71 0.00 0.00 52.55 55.95 3i76 s ASP 196 Cb -0.12 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 3i76 s ASP 196 CO 0.24 -1.60 -0.08 0.42 0.21 0.00 0.00 175.17 174.36 3i76 s THR 197 N -1.67 0.63 -0.19 -1.27 -4.23 -1.26 -1.79 115.64 105.85 3i76 s THR 197 Ca 0.76 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3i76 s THR 197 Cb -0.29 -0.55 0.04 0.00 1.34 0.00 0.00 72.50 73.04 3i76 s THR 197 CO 0.34 0.12 -0.12 0.00 -0.54 0.00 0.00 174.62 174.41 3i76 s TRP 199 N 1.40 3.19 -0.51 0.00 -0.00 0.32 -1.78 118.94 121.55 3i76 s TRP 199 Ca 0.00 0.33 -0.25 0.00 -0.00 0.00 0.00 56.10 56.18 3i76 s TRP 199 Cb -0.15 -2.95 0.03 0.00 -0.00 0.00 0.00 33.47 30.40 3i76 s TRP 199 CO -0.09 -0.52 0.97 1.41 -0.00 0.00 0.00 176.95 178.72 3i76 s MET 200 N 2.48 3.45 -0.42 5.86 -2.45 0.14 -1.17 119.30 127.20 3i76 s MET 200 Ca 0.21 0.01 0.09 0.00 -1.25 0.00 0.00 55.69 54.75 3i76 s MET 200 Cb -0.15 -3.99 0.28 0.00 1.25 0.00 0.00 34.83 32.22 3i76 s MET 200 CO 0.13 -1.39 0.61 -1.71 1.05 0.00 0.00 175.02 173.71 3i76 n ASN 201 N 7.46 0.86 0.25 1.11 5.15 -0.11 -4.29 115.26 125.69 3i76 n ASN 201 Ca 0.05 -2.89 0.08 0.00 -0.60 0.00 0.00 54.58 51.22 3i76 n ASN 201 Cb 0.48 -0.63 0.62 0.00 -0.53 0.00 0.00 39.78 39.71 3i76 n ASN 201 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3i76 h PRO 202 N 3.72 0.00 -0.59 1.20 0.13 -1.70 -2.69 132.00 132.07 3i76 h PRO 202 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3i76 h PRO 202 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3i76 h PRO 202 CO 0.52 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 3i76 n ASP 203 N -4.35 3.27 -3.84 1.44 8.00 -1.26 -4.94 116.55 114.87 3i76 n ASP 203 Ca -0.03 -2.08 -0.27 0.00 0.71 0.00 0.00 54.79 53.12 3i76 n ASP 203 Cb 0.16 -0.42 0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3i76 n ASP 203 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i76 n MET 204 N 1.11 -5.17 -1.76 -1.24 2.81 -1.01 -4.91 117.12 106.95 3i76 n MET 204 Ca 0.20 0.59 -0.41 0.00 -1.81 0.00 0.00 57.70 56.27 3i76 n MET 204 Cb 0.54 -5.32 -0.00 0.00 -0.71 0.00 0.00 33.22 27.73 3i76 n MET 204 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3i76 n LYS 205 N -4.51 2.61 -2.32 0.03 5.02 -1.26 -4.96 118.16 112.76 3i76 n LYS 205 Ca -0.11 0.92 -0.35 0.00 -2.02 0.00 0.00 58.31 56.75 3i76 n LYS 205 Cb 0.59 -2.63 -0.01 0.00 -0.02 0.00 0.00 35.03 32.96 3i76 n LYS 205 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i76 s PRO 206 N -1.83 3.46 -1.32 1.97 0.04 -1.26 -4.91 135.00 131.15 3i76 s PRO 206 Ca 0.55 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 3i76 s PRO 206 Cb -0.49 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.15 3i76 s PRO 206 CO 0.61 -0.75 1.91 -1.71 0.04 0.00 0.00 177.00 177.11 3i76 n ASN 207 N -1.23 4.79 0.05 6.66 2.85 -1.26 -4.82 115.26 122.30 3i76 n ASN 207 Ca 0.11 -3.02 -0.11 0.00 -0.11 0.00 0.00 54.58 51.45 3i76 n ASN 207 Cb 0.51 -1.55 -0.05 0.00 1.24 0.00 0.00 39.78 39.94 3i76 n ASN 207 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3i76 h VAL 208 N 3.99 0.35 0.00 3.44 2.07 -1.98 -1.80 116.25 122.33 3i76 h VAL 208 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 3i76 h VAL 208 Cb 0.67 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3i76 h VAL 208 CO 1.64 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 178.42 3i76 n PRO 209 N -5.39 0.74 -3.88 1.57 -0.04 -1.26 -4.86 135.00 121.88 3i76 n PRO 209 Ca -0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.15 3i76 n PRO 209 Cb 0.31 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 3i76 n PRO 209 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i76 n GLU 210 N -0.75 -4.56 -3.14 0.54 1.02 -0.68 -4.91 120.64 108.16 3i76 n GLU 210 Ca 0.09 0.54 -0.45 0.00 -0.02 0.00 0.00 57.16 57.32 3i76 n GLU 210 Cb 0.04 -5.12 -0.05 0.00 -0.02 0.00 0.00 31.44 26.30 3i76 n GLU 210 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i76 s ILE 211 N -3.58 4.88 -0.35 -3.67 1.01 -1.26 -5.03 121.20 113.19 3i76 s ILE 211 Ca 0.28 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.68 3i76 s ILE 211 Cb -0.15 -4.46 -0.00 0.00 0.01 0.00 0.00 42.46 37.86 3i76 s ILE 211 CO 0.85 -1.08 0.61 -0.63 0.00 0.00 0.00 174.94 174.68 3i76 s ILE 212 N 2.53 4.93 0.75 2.92 -1.09 -1.26 -4.96 121.20 125.01 3i76 s ILE 212 Ca 0.10 0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 58.98 3i76 s ILE 212 Cb -0.25 -4.04 0.04 0.00 -1.58 0.00 0.00 42.46 36.63 3i76 s ILE 212 CO 0.06 -0.26 1.09 -2.16 -1.23 0.00 0.00 174.94 172.43 3i76 s PRO 213 N 2.62 2.48 0.13 2.79 0.04 -1.26 -4.98 135.00 136.82 3i76 s PRO 213 Ca 0.23 0.67 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 3i76 s PRO 213 Cb -0.15 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 3i76 s PRO 213 CO 0.14 -1.35 1.59 1.15 0.04 0.00 0.00 177.00 178.57 3i76 h THR 214 N -0.89 1.25 -3.95 1.26 2.02 -1.53 -3.45 112.91 107.62 3i76 h THR 214 Ca -0.46 -0.94 -0.23 0.00 0.77 0.00 0.00 66.41 65.55 3i76 h THR 214 Cb 1.25 1.06 -0.19 0.00 -1.74 0.00 0.00 68.15 68.53 3i76 h THR 214 CO 0.60 0.32 -0.71 -0.31 0.37 0.00 0.00 175.52 175.78 3i76 s TYR 215 N -5.10 0.67 -0.04 3.16 2.02 -0.13 -5.00 117.35 112.94 3i76 s TYR 215 Ca -0.13 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 55.92 3i76 s TYR 215 Cb 0.10 -0.41 0.01 0.00 -0.40 0.00 0.00 41.96 41.26 3i76 s TYR 215 CO 0.79 -0.14 -0.08 -2.00 -1.57 0.00 0.00 175.55 172.55 3i76 s GLU 216 N -2.43 1.08 0.14 -0.62 2.12 -1.26 -0.52 118.70 117.21 3i76 s GLU 216 Ca -0.03 -0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.10 3i76 s GLU 216 Cb -0.04 -0.99 -0.04 0.00 0.26 0.00 0.00 34.13 33.32 3i76 s GLU 216 CO -0.02 0.02 -0.13 0.96 -0.54 0.00 0.00 175.26 175.55 3i76 s ILE 217 N 0.58 1.30 -0.25 -3.70 -4.36 -0.32 -4.93 121.20 109.52 3i76 s ILE 217 Ca -0.09 -1.87 0.19 0.00 -0.26 0.00 0.00 60.65 58.61 3i76 s ILE 217 Cb -0.13 -1.67 -0.27 0.00 1.25 0.00 0.00 42.46 41.65 3i76 s ILE 217 CO 0.01 -0.55 0.51 0.54 0.24 0.00 0.00 174.94 175.69 3i76 n ARG 218 N 0.21 0.67 -3.53 0.37 5.12 -1.26 -0.94 116.66 117.30 3i76 n ARG 218 Ca -0.13 -0.13 -0.13 0.00 -1.93 0.00 0.00 57.85 55.53 3i76 n ARG 218 Cb 0.59 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 30.42 3i76 n ARG 218 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3i76 s LYS 219 N -3.16 1.11 0.36 5.56 -2.85 -1.26 -3.97 119.74 115.53 3i76 s LYS 219 Ca -0.03 -0.32 0.05 0.00 -1.00 0.00 0.00 55.97 54.66 3i76 s LYS 219 Cb 0.13 0.51 0.70 0.00 -2.06 0.00 0.00 37.83 37.10 3i76 s LYS 219 CO 0.78 -0.43 1.97 -0.07 0.10 0.00 0.00 175.35 177.70 3i76 h LEU 220 N 2.52 0.55 -2.07 2.77 3.38 -1.94 -1.62 115.31 118.91 3i76 h LEU 220 Ca -0.32 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3i76 h LEU 220 Cb 1.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3i76 h LEU 220 CO 0.41 0.48 0.00 -0.33 0.09 0.00 0.00 178.44 179.09 3i76 h GLU 221 N 0.62 0.00 0.00 1.13 3.07 -1.89 -1.48 114.58 116.02 3i76 h GLU 221 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3i76 h GLU 221 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3i76 h GLU 221 CO -0.02 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.52 3i76 h GLU 222 N 0.00 0.00 0.00 2.33 5.08 -1.71 -2.29 114.58 117.98 3i76 h GLU 222 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3i76 h GLU 222 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3i76 h GLU 222 CO 0.00 0.00 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.72 3i76 h LEU 223 N 0.00 0.00 -1.03 1.33 3.38 -1.45 -2.69 115.31 114.85 3i76 h LEU 223 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3i76 h LEU 223 Cb 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3i76 h LEU 223 CO 0.00 0.22 0.64 1.88 0.09 0.00 0.00 178.44 181.27 3i76 h TYR 224 N 0.00 1.19 -0.21 1.13 0.05 -1.61 -0.74 116.97 116.78 3i76 h TYR 224 Ca -0.00 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 3i76 h TYR 224 Cb 0.40 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3i76 h TYR 224 CO 0.00 0.62 -0.22 1.25 -1.05 0.00 0.00 178.16 178.76 3i76 h HIS 225 N 1.16 0.62 -0.86 4.88 2.76 -1.66 -0.96 115.15 121.09 3i76 h HIS 225 Ca 0.43 -0.19 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 3i76 h HIS 225 Cb 0.16 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.94 3i76 h HIS 225 CO -0.00 0.87 0.54 0.82 -1.30 0.00 0.00 177.93 178.86 3i76 h ILE 226 N 0.19 1.08 -0.02 6.26 2.04 -1.30 -1.30 117.51 124.47 3i76 h ILE 226 Ca 0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3i76 h ILE 226 Cb 0.77 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3i76 h ILE 226 CO 0.05 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.57 3i76 n LEU 227 N -4.59 0.80 -3.59 1.44 4.77 -0.32 -4.95 117.00 110.56 3i76 n LEU 227 Ca 0.12 -0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 3i76 n LEU 227 Cb 0.14 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3i76 n LEU 227 CO 0.32 0.14 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.27 3i76 n ASN 228 N -0.36 -3.89 -2.87 -1.43 5.15 -0.49 -4.98 115.26 106.39 3i76 n ASN 228 Ca 0.21 -0.87 -0.16 0.00 -0.60 0.00 0.00 54.58 53.16 3i76 n ASN 228 Cb 0.23 -4.08 -0.06 0.00 -0.53 0.00 0.00 39.78 35.34 3i76 n ASN 228 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3i76 n ILE 229 N -4.00 0.00 -1.70 -1.44 -5.35 -0.47 -5.04 119.36 101.36 3i76 n ILE 229 Ca -0.17 -2.04 0.00 0.00 -0.27 0.00 0.00 62.75 60.27 3i76 n ILE 229 Cb 0.63 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 3i76 n ILE 229 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95