#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0i s ARG 2 N 0.00 3.04 0.48 -0.52 3.00 -1.26 -5.11 118.95 118.57 1d0i s ARG 2 Ca 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 55.73 55.34 1d0i s ARG 2 Cb 0.00 -2.84 0.03 0.00 0.00 0.00 0.00 34.95 32.14 1d0i s ARG 2 CO 0.00 0.66 0.59 -1.54 0.00 0.00 0.00 175.30 175.01 1d0i s SER 3 N -1.53 5.26 0.43 0.23 1.04 -1.26 -4.68 113.70 113.19 1d0i s SER 3 Ca 0.20 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 56.03 1d0i s SER 3 Cb -0.12 -0.23 0.95 0.00 0.10 0.00 0.00 66.02 66.72 1d0i s SER 3 CO 0.11 -0.96 2.04 -0.07 0.98 0.00 0.00 173.24 175.34 1d0i h LEU 4 N 0.58 0.40 -0.71 2.42 4.07 -1.92 -1.80 115.31 118.36 1d0i h LEU 4 Ca -0.37 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.48 1d0i h LEU 4 Cb 1.28 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1d0i h LEU 4 CO 0.47 0.28 -0.20 0.00 -1.08 0.00 0.00 178.44 177.91 1d0i h ALA 5 N 1.74 0.89 0.00 1.53 0.00 -1.87 -3.32 119.26 118.23 1d0i h ALA 5 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1d0i h ALA 5 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1d0i h ALA 5 CO -0.05 0.63 -1.10 0.09 0.00 0.00 0.00 179.25 178.83 1d0i n ASN 6 N -4.12 0.64 -3.62 0.00 5.03 -0.74 -4.99 115.26 107.45 1d0i n ASN 6 Ca 0.00 -0.41 -0.16 0.00 0.87 0.00 0.00 54.58 54.88 1d0i n ASN 6 Cb 0.42 0.96 -0.07 0.00 -1.02 0.00 0.00 39.78 40.07 1d0i n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d0i s ALA 7 N -3.16 -1.41 0.65 5.41 0.00 -0.80 -4.89 121.76 117.57 1d0i s ALA 7 Ca 0.04 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1d0i s ALA 7 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1d0i s ALA 7 CO 0.83 -0.32 1.07 -1.25 0.00 0.00 0.00 175.76 176.08 1d0i s PRO 8 N -1.04 3.03 -0.05 0.00 0.04 -1.26 -4.24 135.00 131.48 1d0i s PRO 8 Ca -0.10 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 1d0i s PRO 8 Cb -0.02 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1d0i s PRO 8 CO 0.07 -1.04 0.95 0.42 0.04 0.00 0.00 177.00 177.44 1d0i s ILE 9 N -2.69 4.87 -0.10 0.56 1.01 0.25 -1.75 121.20 123.34 1d0i s ILE 9 Ca 0.62 1.96 -0.29 0.00 0.00 0.00 0.00 60.65 62.94 1d0i s ILE 9 Cb -0.16 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 1d0i s ILE 9 CO 0.45 0.12 0.97 -0.32 0.00 0.00 0.00 174.94 176.16 1d0i s MET 10 N 1.35 4.42 -0.34 2.79 -2.45 -0.12 -0.36 119.30 124.59 1d0i s MET 10 Ca 0.48 1.33 -0.05 0.00 -1.25 0.00 0.00 55.69 56.21 1d0i s MET 10 Cb -0.20 -3.53 0.05 0.00 1.25 0.00 0.00 34.83 32.40 1d0i s MET 10 CO 0.23 -0.27 0.09 0.42 1.05 0.00 0.00 175.02 176.54 1d0i s ILE 11 N 1.88 3.55 -0.17 10.11 -1.09 -0.24 -0.71 121.20 134.53 1d0i s ILE 11 Ca 0.47 -1.28 -0.06 0.00 -2.23 0.00 0.00 60.65 57.56 1d0i s ILE 11 Cb -0.18 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1d0i s ILE 11 CO 0.18 -0.21 0.01 -0.76 -1.23 0.00 0.00 174.94 172.94 1d0i s LEU 12 N 1.34 3.55 -0.12 2.97 1.43 0.55 -1.10 118.68 127.30 1d0i s LEU 12 Ca -0.02 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1d0i s LEU 12 Cb -0.20 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1d0i s LEU 12 CO 0.01 0.17 -0.21 0.20 0.23 0.00 0.00 176.35 176.75 1d0i s ASN 13 N 0.36 2.96 0.32 2.29 0.01 0.32 -1.17 114.94 120.04 1d0i s ASN 13 Ca -0.00 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1d0i s ASN 13 Cb -0.13 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.17 1d0i s ASN 13 CO 0.01 0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 1d0i n GLY 14 N 3.96 -0.67 3.76 0.66 0.00 0.69 -1.24 105.19 112.35 1d0i n GLY 14 Ca -0.20 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 1d0i n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d0i s PRO 15 N -0.85 3.58 0.00 1.61 0.04 -1.07 -3.21 135.00 135.10 1d0i s PRO 15 Ca 0.00 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1d0i s PRO 15 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1d0i s PRO 15 CO 0.00 -0.79 0.00 0.09 0.04 0.00 0.00 177.00 176.34 1d0i n ASN 16 N -0.50 0.00 0.14 6.66 3.02 -1.26 -4.55 115.26 118.77 1d0i n ASN 16 Ca 0.07 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.75 1d0i n ASN 16 Cb 0.45 -0.44 0.43 0.00 -0.61 0.00 0.00 39.78 39.61 1d0i n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1d0i h LEU 17 N 0.00 0.00 -2.07 3.41 3.38 -1.92 -1.65 115.31 116.47 1d0i h LEU 17 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1d0i h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1d0i h LEU 17 CO 0.00 0.00 0.18 -0.55 0.09 0.00 0.00 178.44 178.16 1d0i h ASN 18 N 0.00 0.00 -0.45 -0.43 -1.07 -1.88 -1.86 115.58 109.90 1d0i h ASN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1d0i h ASN 18 Cb 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1d0i h ASN 18 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1d0i n LEU 19 N -4.30 2.69 -4.69 6.14 4.77 -0.62 -4.77 117.00 116.21 1d0i n LEU 19 Ca 0.03 -1.35 -0.44 0.00 -0.03 0.00 0.00 56.01 54.22 1d0i n LEU 19 Cb 0.33 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1d0i n LEU 19 CO 0.33 0.60 1.13 -0.11 -1.33 0.00 0.00 177.39 178.02 1d0i n LEU 20 N 0.79 3.51 0.00 2.23 7.94 -0.70 -0.77 117.00 129.99 1d0i n LEU 20 Ca 0.16 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 1d0i n LEU 20 Cb 0.45 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.92 1d0i n LEU 20 CO 0.12 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 1d0i n GLY 21 N 2.49 3.29 0.09 -3.96 0.00 -1.07 -4.02 105.19 102.01 1d0i n GLY 21 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1d0i n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1d0i n GLN 22 N -1.37 0.62 -4.15 1.61 6.02 0.05 -4.73 117.38 115.43 1d0i n GLN 22 Ca 0.00 0.13 -0.17 0.00 -0.01 0.00 0.00 57.00 56.95 1d0i n GLN 22 Cb 0.00 -1.77 -0.12 0.00 1.02 0.00 0.00 30.24 29.37 1d0i n GLN 22 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1d0i s ARG 23 N -3.14 0.77 -0.92 -1.09 3.03 -1.25 -4.92 118.95 111.43 1d0i s ARG 23 Ca -0.03 -0.94 -0.09 0.00 2.03 0.00 0.00 55.73 56.70 1d0i s ARG 23 Cb 0.09 -0.69 0.01 0.00 -1.03 0.00 0.00 34.95 33.33 1d0i s ARG 23 CO 0.82 0.14 0.65 1.04 -1.13 0.00 0.00 175.30 176.82 1d0i n GLN 24 N 1.22 -1.23 0.11 3.89 6.02 -1.26 -4.59 117.38 121.54 1d0i n GLN 24 Ca -0.21 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1d0i n GLN 24 Cb 0.55 -2.97 0.30 0.00 1.02 0.00 0.00 30.24 29.14 1d0i n GLN 24 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1d0i h PRO 25 N -0.81 0.21 -0.87 -1.09 0.11 -1.92 0.12 132.00 127.75 1d0i h PRO 25 Ca -0.57 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.46 1d0i h PRO 25 Cb 1.35 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 1d0i h PRO 25 CO 0.40 0.49 0.54 1.05 -0.21 0.00 0.00 178.00 180.27 1d0i h GLU 26 N 0.19 1.16 0.00 1.05 4.11 -1.89 0.67 114.58 119.88 1d0i h GLU 26 Ca 0.03 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.22 1d0i h GLU 26 Cb 0.62 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1d0i h GLU 26 CO 0.04 0.80 -0.85 0.82 0.07 0.00 0.00 179.01 179.89 1d0i h ILE 27 N 1.19 0.89 0.00 -1.06 2.04 -1.87 -3.42 117.51 115.28 1d0i h ILE 27 Ca 0.31 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1d0i h ILE 27 Cb -0.08 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1d0i h ILE 27 CO -0.06 0.30 -1.18 -1.22 0.00 0.00 0.00 178.15 175.98 1d0i n TYR 28 N -4.51 0.10 -0.39 1.37 4.01 0.40 -4.45 117.16 113.68 1d0i n TYR 28 Ca -0.23 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1d0i n TYR 28 Cb 0.55 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1d0i n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1d0i n GLY 29 N 1.40 -3.00 0.37 2.72 0.00 0.23 -4.76 105.19 102.16 1d0i n GLY 29 Ca 0.02 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.30 1d0i n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1d0i n SER 30 N -0.35 1.76 -4.77 1.61 3.41 -1.26 -4.02 113.62 110.00 1d0i n SER 30 Ca 0.00 -1.38 -0.36 0.00 -0.26 0.00 0.00 58.87 56.87 1d0i n SER 30 Cb 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1d0i n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1d0i s ASP 31 N -0.82 5.74 0.59 4.04 1.01 -1.26 -4.62 116.67 121.35 1d0i s ASP 31 Ca 0.11 2.23 0.06 0.00 0.71 0.00 0.00 52.55 55.67 1d0i s ASP 31 Cb 0.08 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.51 1d0i s ASP 31 CO 0.12 -1.21 0.81 0.42 0.21 0.00 0.00 175.17 175.53 1d0i s THR 32 N -1.70 2.28 0.24 -1.27 -4.23 -1.26 -2.60 115.64 107.10 1d0i s THR 32 Ca 0.72 -0.88 0.17 0.00 -1.18 0.00 0.00 61.69 60.52 1d0i s THR 32 Cb -0.26 -2.41 0.12 0.00 1.34 0.00 0.00 72.50 71.29 1d0i s THR 32 CO 0.29 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.38 1d0i h LEU 33 N 0.05 0.00 -0.97 4.79 5.85 -1.81 -0.92 115.31 122.30 1d0i h LEU 33 Ca -0.33 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1d0i h LEU 33 Cb 1.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1d0i h LEU 33 CO 0.42 0.39 -0.05 0.00 -0.34 0.00 0.00 178.44 178.86 1d0i h ALA 34 N 1.61 1.14 -0.81 1.25 0.00 -1.94 -0.01 119.26 120.50 1d0i h ALA 34 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1d0i h ALA 34 Cb 0.84 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1d0i h ALA 34 CO 0.05 0.55 0.41 -0.44 0.00 0.00 0.00 179.25 179.82 1d0i h ASP 35 N 0.64 1.04 -0.52 0.00 3.32 -1.57 -1.15 116.42 118.18 1d0i h ASP 35 Ca 0.12 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1d0i h ASP 35 Cb 0.47 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1d0i h ASP 35 CO 0.02 0.87 -0.06 0.58 -1.72 0.00 0.00 179.24 178.93 1d0i h VAL 36 N 1.14 1.27 -0.69 -1.35 2.07 -0.76 -2.25 116.25 115.68 1d0i h VAL 36 Ca 0.28 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1d0i h VAL 36 Cb 0.08 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1d0i h VAL 36 CO -0.04 0.42 0.44 -0.08 0.02 0.00 0.00 177.57 178.34 1d0i h GLU 37 N 0.83 0.86 -0.83 1.57 4.81 -0.62 -1.86 114.58 119.35 1d0i h GLU 37 Ca 0.14 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1d0i h GLU 37 Cb 0.61 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1d0i h GLU 37 CO 0.04 0.57 0.50 0.00 -0.73 0.00 0.00 179.01 179.39 1d0i h ALA 38 N 1.28 1.05 -0.88 2.92 0.00 -0.95 0.44 119.26 123.13 1d0i h ALA 38 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1d0i h ALA 38 Cb -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1d0i h ALA 38 CO -0.08 0.51 0.48 -0.07 0.00 0.00 0.00 179.25 180.08 1d0i h LEU 39 N 1.13 1.09 -0.20 0.00 3.38 -0.79 0.22 115.31 120.15 1d0i h LEU 39 Ca 0.30 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1d0i h LEU 39 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1d0i h LEU 39 CO -0.06 0.88 -0.04 0.00 0.09 0.00 0.00 178.44 179.31 1d0i h VAL 41 N 0.10 1.08 -0.18 0.00 2.07 -0.67 0.22 116.25 118.87 1d0i h VAL 41 Ca 0.05 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1d0i h VAL 41 Cb 0.48 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1d0i h VAL 41 CO 0.02 0.13 0.10 0.50 0.02 0.00 0.00 177.57 178.34 1d0i h LYS 42 N 0.72 0.25 -0.63 1.57 3.64 -0.89 0.05 116.57 121.29 1d0i h LYS 42 Ca 0.24 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1d0i h LYS 42 Cb 0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1d0i h LYS 42 CO -0.10 0.23 0.23 0.00 -2.27 0.00 0.00 179.45 177.54 1d0i h ALA 43 N 1.01 0.83 -0.13 5.00 0.00 -1.01 -2.42 119.26 122.52 1d0i h ALA 43 Ca 0.06 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1d0i h ALA 43 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1d0i h ALA 43 CO -0.01 0.47 -0.53 0.00 0.00 0.00 0.00 179.25 179.17 1d0i h ALA 44 N 1.09 0.84 -0.79 0.00 0.00 -0.77 -3.07 119.26 116.56 1d0i h ALA 44 Ca 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1d0i h ALA 44 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1d0i h ALA 44 CO -0.01 0.68 0.48 0.00 0.00 0.00 0.00 179.25 180.40 1d0i h ALA 45 N 1.13 1.36 0.00 0.00 0.00 -0.63 0.45 119.26 121.58 1d0i h ALA 45 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1d0i h ALA 45 Cb 1.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1d0i h ALA 45 CO 0.09 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1d0i h ALA 46 N 1.45 1.00 -0.43 0.00 0.00 -1.34 -0.86 119.26 119.07 1d0i h ALA 46 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1d0i h ALA 46 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1d0i h ALA 46 CO -0.05 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.92 1d0i n HIS 47 N -2.73 0.58 -1.04 0.00 8.25 -0.66 -4.96 115.22 114.67 1d0i n HIS 47 Ca -0.02 -0.48 -0.01 0.00 -0.26 0.00 0.00 57.72 56.94 1d0i n HIS 47 Cb 0.08 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 1d0i n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d0i n GLY 48 N 0.81 0.50 3.82 -1.41 0.00 -0.33 -4.80 105.19 103.78 1d0i n GLY 48 Ca 0.15 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1d0i n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d0i s GLY 49 N -2.71 2.43 0.27 -0.02 0.00 0.06 -4.19 107.32 103.16 1d0i s GLY 49 Ca 0.00 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.23 1d0i s GLY 49 CO 0.00 -1.94 0.07 -0.51 0.00 0.00 0.00 173.10 170.71 1d0i s THR 50 N -2.69 0.80 0.11 0.90 -4.23 -1.26 -3.37 115.64 105.89 1d0i s THR 50 Ca 0.34 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.90 1d0i s THR 50 Cb 0.00 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 1d0i s THR 50 CO 0.20 -0.08 -0.13 0.68 -0.54 0.00 0.00 174.62 174.76 1d0i s VAL 51 N -3.58 1.16 -0.39 2.29 -7.23 -1.26 -0.59 120.40 110.80 1d0i s VAL 51 Ca 0.35 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1d0i s VAL 51 Cb 0.08 -1.40 0.11 0.00 0.56 0.00 0.00 36.38 35.73 1d0i s VAL 51 CO 0.13 -0.44 0.15 -0.62 -0.31 0.00 0.00 175.10 174.01 1d0i s ASP 52 N -2.34 4.26 -0.23 4.85 -1.08 0.51 -4.83 116.67 117.82 1d0i s ASP 52 Ca 0.06 -2.31 -0.16 0.00 -0.52 0.00 0.00 52.55 49.61 1d0i s ASP 52 Cb -0.05 -1.32 -0.04 0.00 -1.46 0.00 0.00 42.92 40.05 1d0i s ASP 52 CO 0.02 -0.33 0.42 0.12 0.52 0.00 0.00 175.17 175.92 1d0i s PHE 53 N 0.70 3.33 0.03 -5.34 2.19 -1.26 -1.08 117.98 116.56 1d0i s PHE 53 Ca 0.13 0.59 -0.02 0.00 0.33 0.00 0.00 56.93 57.97 1d0i s PHE 53 Cb -0.21 -2.58 -0.02 0.00 -1.31 0.00 0.00 43.02 38.89 1d0i s PHE 53 CO -0.09 -0.11 0.01 1.03 1.83 0.00 0.00 175.22 177.89 1d0i s ARG 54 N 1.67 0.47 -0.01 10.12 0.52 -0.25 -4.99 118.95 126.49 1d0i s ARG 54 Ca 0.19 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1d0i s ARG 54 Cb -0.15 0.17 -0.00 0.00 0.52 0.00 0.00 34.95 35.49 1d0i s ARG 54 CO 0.09 -0.09 0.03 -1.14 0.02 0.00 0.00 175.30 174.20 1d0i s GLN 55 N -2.47 0.12 0.06 3.54 -0.44 -1.26 -0.52 119.66 118.68 1d0i s GLN 55 Ca -0.06 -0.10 -0.15 0.00 -2.50 0.00 0.00 55.36 52.55 1d0i s GLN 55 Cb -0.02 0.05 0.02 0.00 -1.64 0.00 0.00 33.01 31.42 1d0i s GLN 55 CO -0.04 -0.02 0.34 0.45 0.50 0.00 0.00 175.29 176.51 1d0i s SER 56 N -0.34 -0.16 0.00 6.67 0.15 -0.37 -4.96 113.70 114.69 1d0i s SER 56 Ca -0.04 -0.19 0.25 0.00 0.70 0.00 0.00 55.95 56.67 1d0i s SER 56 Cb -0.02 0.39 0.49 0.00 -1.71 0.00 0.00 66.02 65.17 1d0i s SER 56 CO -0.00 -0.66 1.43 0.59 1.20 0.00 0.00 173.24 175.80 1d0i n ASN 57 N 0.42 2.57 -4.42 5.45 3.02 -1.26 -2.59 115.26 118.46 1d0i n ASN 57 Ca -0.18 -1.85 -0.38 0.00 -0.03 0.00 0.00 54.58 52.14 1d0i n ASN 57 Cb 0.60 -0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.61 1d0i n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1d0i s HIS 58 N -1.91 3.17 0.25 3.10 3.76 -1.26 -4.75 115.29 117.66 1d0i s HIS 58 Ca 0.33 -0.66 -0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1d0i s HIS 58 Cb 0.20 -2.33 0.40 0.00 1.11 0.00 0.00 32.58 31.96 1d0i s HIS 58 CO 0.31 -0.48 1.83 1.49 -0.85 0.00 0.00 174.74 177.03 1d0i h GLU 59 N 8.33 0.87 0.00 1.40 4.81 -2.00 -1.46 114.58 126.53 1d0i h GLU 59 Ca -0.32 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.75 1d0i h GLU 59 Cb 1.14 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1d0i h GLU 59 CO 0.61 0.58 -0.51 0.78 -0.73 0.00 0.00 179.01 179.74 1d0i h GLY 60 N 0.90 0.00 1.07 1.92 0.00 -1.99 -1.78 103.07 103.19 1d0i h GLY 60 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.59 1d0i h GLY 60 CO -0.22 0.00 -0.37 -2.09 0.00 0.00 0.00 176.54 173.86 1d0i h GLU 61 N 0.00 0.85 -0.74 4.80 4.81 -1.80 0.04 114.58 122.54 1d0i h GLU 61 Ca -0.01 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1d0i h GLU 61 Cb 0.94 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1d0i h GLU 61 CO 0.07 1.10 0.41 -0.07 -0.73 0.00 0.00 179.01 179.78 1d0i h LEU 62 N 0.64 0.92 -0.43 1.64 3.38 -1.05 0.24 115.31 120.66 1d0i h LEU 62 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1d0i h LEU 62 Cb 0.96 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1d0i h LEU 62 CO 0.09 0.75 0.21 0.58 0.09 0.00 0.00 178.44 180.16 1d0i h VAL 63 N 1.02 1.18 -0.70 1.22 2.07 -1.03 -1.69 116.25 118.31 1d0i h VAL 63 Ca 0.26 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1d0i h VAL 63 Cb 0.03 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1d0i h VAL 63 CO -0.04 0.19 0.39 0.44 0.02 0.00 0.00 177.57 178.57 1d0i h ASP 64 N 0.55 0.58 -0.26 0.57 3.32 -0.48 -1.79 116.42 118.91 1d0i h ASP 64 Ca 0.15 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1d0i h ASP 64 Cb 0.11 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1d0i h ASP 64 CO -0.02 0.37 -0.16 -0.50 -1.72 0.00 0.00 179.24 177.21 1d0i h TRP 65 N 0.71 0.77 -0.64 4.55 6.55 -0.56 -2.17 115.95 125.16 1d0i h TRP 65 Ca 0.32 -0.15 -0.02 0.00 0.95 0.00 0.00 58.89 59.99 1d0i h TRP 65 Cb 0.21 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.29 1d0i h TRP 65 CO -0.08 0.81 0.32 0.82 -1.05 0.00 0.00 178.44 179.27 1d0i h ILE 66 N 0.62 1.21 -0.25 1.49 2.04 -0.83 -1.16 117.51 120.63 1d0i h ILE 66 Ca 0.10 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1d0i h ILE 66 Cb 0.63 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1d0i h ILE 66 CO 0.04 0.24 0.07 0.45 0.00 0.00 0.00 178.15 178.95 1d0i h HIS 67 N 0.87 0.36 -0.38 1.37 3.86 -0.74 -2.52 115.15 117.96 1d0i h HIS 67 Ca 0.22 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.30 1d0i h HIS 67 Cb 0.09 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1d0i h HIS 67 CO -0.00 0.31 -0.24 1.49 0.86 0.00 0.00 177.93 180.35 1d0i h GLU 68 N 0.36 0.76 -0.68 2.45 4.81 -0.68 -2.93 114.58 118.66 1d0i h GLU 68 Ca 0.09 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1d0i h GLU 68 Cb 0.13 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1d0i h GLU 68 CO -0.00 0.92 0.45 0.00 -0.73 0.00 0.00 179.01 179.65 1d0i h ALA 69 N 1.08 1.66 -0.93 2.92 0.00 -0.92 -2.17 119.26 120.90 1d0i h ALA 69 Ca 0.09 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1d0i h ALA 69 Cb 0.75 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 1d0i h ALA 69 CO 0.06 0.26 0.53 0.00 0.00 0.00 0.00 179.25 180.10 1d0i h ARG 70 N 0.78 0.73 0.00 0.00 3.08 -1.39 -0.95 114.38 116.63 1d0i h ARG 70 Ca 0.28 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 1d0i h ARG 70 Cb 0.14 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1d0i h ARG 70 CO -0.08 0.48 -1.93 1.28 -1.07 0.00 0.00 179.97 178.65 1d0i n LEU 71 N -4.78 0.24 -0.00 3.04 4.77 -0.87 -4.66 117.00 114.74 1d0i n LEU 71 Ca 0.19 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.30 1d0i n LEU 71 Cb 0.45 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1d0i n LEU 71 CO 0.23 0.18 -0.04 0.59 -1.33 0.00 0.00 177.39 177.01 1d0i n ASN 72 N -2.58 0.45 -4.37 -1.43 3.02 -0.88 -5.07 115.26 104.39 1d0i n ASN 72 Ca -0.14 -0.57 -0.20 0.00 -0.03 0.00 0.00 54.58 53.64 1d0i n ASN 72 Cb 0.81 1.01 -0.10 0.00 -0.61 0.00 0.00 39.78 40.90 1d0i n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1d0i s HIS 73 N -1.49 1.84 -0.78 3.10 3.76 -0.39 -4.34 115.29 116.98 1d0i s HIS 73 Ca 0.02 -0.53 0.24 0.00 -0.15 0.00 0.00 55.06 54.63 1d0i s HIS 73 Cb 0.03 -0.85 0.35 0.00 1.11 0.00 0.00 32.58 33.23 1d0i s HIS 73 CO 0.19 0.42 1.30 0.00 -0.85 0.00 0.00 174.74 175.81 1d0i n GLY 75 N 1.41 0.74 3.15 0.00 0.00 -1.26 -4.49 105.19 104.75 1d0i n GLY 75 Ca 0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1d0i n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d0i s ILE 76 N -2.00 1.79 -0.29 -0.61 1.01 -0.31 -0.95 121.20 119.84 1d0i s ILE 76 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1d0i s ILE 76 Cb 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1d0i s ILE 76 CO 0.00 0.50 0.16 -0.69 0.00 0.00 0.00 174.94 174.91 1d0i s VAL 77 N 0.52 4.96 -0.08 2.92 1.01 0.11 -1.65 120.40 128.18 1d0i s VAL 77 Ca -0.16 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1d0i s VAL 77 Cb -0.17 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1d0i s VAL 77 CO 0.06 0.20 -0.14 -0.51 0.00 0.00 0.00 175.10 174.71 1d0i s ILE 78 N 1.70 1.29 -0.66 2.22 2.07 -0.16 -0.33 121.20 127.32 1d0i s ILE 78 Ca 0.06 -0.55 -0.06 0.00 -1.41 0.00 0.00 60.65 58.70 1d0i s ILE 78 Cb -0.16 -1.18 0.17 0.00 0.13 0.00 0.00 42.46 41.42 1d0i s ILE 78 CO 0.08 0.39 0.51 0.21 -1.91 0.00 0.00 174.94 174.23 1d0i s ASN 79 N 0.81 5.59 0.00 4.50 3.84 -0.31 -1.02 114.94 128.36 1d0i s ASN 79 Ca -0.11 -2.78 0.14 0.00 0.21 0.00 0.00 52.86 50.32 1d0i s ASN 79 Cb -0.15 -1.94 0.65 0.00 -0.55 0.00 0.00 41.25 39.26 1d0i s ASN 79 CO 0.02 -0.43 1.41 -0.81 -2.79 0.00 0.00 177.10 174.50 1d0i n PRO 80 N 3.65 0.10 0.00 0.43 -0.05 -1.26 -0.22 135.00 137.64 1d0i n PRO 80 Ca 0.08 0.21 0.00 0.00 -0.05 0.00 0.00 63.50 63.74 1d0i n PRO 80 Cb 0.40 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.35 1d0i n PRO 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1d0i n ALA 81 N -1.40 0.00 0.21 0.55 0.00 -1.26 -2.11 120.51 116.50 1d0i n ALA 81 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1d0i n ALA 81 Cb 0.14 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.15 1d0i n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d0i h ALA 82 N -0.48 1.85 0.00 0.00 0.00 -1.94 -1.42 119.26 117.28 1d0i h ALA 82 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d0i h ALA 82 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1d0i h ALA 82 CO 0.00 0.12 0.00 1.88 0.00 0.00 0.00 179.25 181.25 1d0i h TYR 83 N 0.08 0.00 -0.89 0.00 0.05 -1.82 -1.02 116.97 113.37 1d0i h TYR 83 Ca 0.02 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.85 1d0i h TYR 83 Cb 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.79 1d0i h TYR 83 CO 0.00 0.00 0.56 0.77 -1.05 0.00 0.00 178.16 178.44 1d0i h SER 84 N 0.00 0.91 1.32 3.88 0.02 -1.33 0.27 113.55 118.62 1d0i h SER 84 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1d0i h SER 84 Cb 0.20 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1d0i h SER 84 CO 0.00 0.60 -0.31 0.45 -1.14 0.00 0.00 176.83 176.43 1d0i h HIS 85 N 1.05 0.00 0.00 3.45 3.86 -1.35 0.64 115.15 122.80 1d0i h HIS 85 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1d0i h HIS 85 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1d0i h HIS 85 CO -0.02 0.00 -0.58 0.25 0.86 0.00 0.00 177.93 178.44 1d0i n THR 86 N -2.40 0.00 -3.22 2.45 -2.24 -1.09 -4.81 114.28 102.98 1d0i n THR 86 Ca 0.04 -0.11 -0.46 0.00 -2.27 0.00 0.00 64.05 61.26 1d0i n THR 86 Cb 0.46 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1d0i n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1d0i s SER 87 N -1.38 6.47 0.37 3.42 0.15 0.06 -4.82 113.70 117.98 1d0i s SER 87 Ca 0.00 -2.09 0.08 0.00 0.70 0.00 0.00 55.95 54.64 1d0i s SER 87 Cb 0.00 -2.26 0.74 0.00 -1.71 0.00 0.00 66.02 62.79 1d0i s SER 87 CO 0.00 -0.84 1.92 0.58 1.20 0.00 0.00 173.24 176.10 1d0i h VAL 88 N 5.46 1.17 -0.74 4.45 2.07 -1.94 -2.98 116.25 123.74 1d0i h VAL 88 Ca -0.08 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1d0i h VAL 88 Cb 1.06 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1d0i h VAL 88 CO 0.95 0.23 0.47 0.00 0.02 0.00 0.00 177.57 179.25 1d0i h ALA 89 N 1.61 0.96 -0.21 1.67 0.00 -1.97 0.13 119.26 121.45 1d0i h ALA 89 Ca 0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1d0i h ALA 89 Cb 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1d0i h ALA 89 CO 0.01 0.29 -0.49 0.82 0.00 0.00 0.00 179.25 179.88 1d0i h ILE 90 N 0.94 1.31 -0.53 0.00 2.04 -1.90 -0.22 117.51 119.15 1d0i h ILE 90 Ca 0.29 -1.71 0.03 0.00 1.00 0.00 0.00 64.86 64.47 1d0i h ILE 90 Cb -0.02 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1d0i h ILE 90 CO -0.10 0.54 0.32 0.25 0.00 0.00 0.00 178.15 179.16 1d0i h LEU 91 N 0.41 0.51 -0.84 1.44 5.85 -1.33 -1.17 115.31 120.18 1d0i h LEU 91 Ca -0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1d0i h LEU 91 Cb 1.10 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1d0i h LEU 91 CO 0.11 0.36 -0.03 0.44 -0.34 0.00 0.00 178.44 178.98 1d0i h ASP 92 N 0.63 0.82 -0.21 1.25 3.32 -0.43 -1.65 116.42 120.14 1d0i h ASP 92 Ca 0.21 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1d0i h ASP 92 Cb 0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1d0i h ASP 92 CO -0.10 0.90 0.07 0.00 -1.72 0.00 0.00 179.24 178.39 1d0i h ALA 93 N 1.19 0.24 -0.90 3.45 0.00 -0.67 -2.61 119.26 119.96 1d0i h ALA 93 Ca 0.14 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1d0i h ALA 93 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1d0i h ALA 93 CO 0.03 -0.35 0.59 -0.07 0.00 0.00 0.00 179.25 179.45 1d0i h LEU 94 N 0.18 0.97 -0.53 0.00 3.38 -0.79 -1.98 115.31 116.54 1d0i h LEU 94 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1d0i h LEU 94 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1d0i h LEU 94 CO -0.09 0.66 0.00 0.59 0.09 0.00 0.00 178.44 179.69 1d0i n ASN 95 N -4.44 0.65 0.13 -0.43 3.02 -0.66 -3.11 115.26 110.42 1d0i n ASN 95 Ca 0.12 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.42 1d0i n ASN 95 Cb 0.10 -0.79 0.49 0.00 -0.61 0.00 0.00 39.78 38.98 1d0i n ASN 95 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1d0i n THR 96 N -2.20 0.87 -3.64 3.41 -2.24 -0.74 -4.05 114.28 105.69 1d0i n THR 96 Ca 0.03 0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.81 1d0i n THR 96 Cb 0.27 -1.22 -0.13 0.00 -2.10 0.00 0.00 70.33 67.14 1d0i n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d0i h ASP 98 N 7.20 0.56 0.53 0.00 3.32 -1.81 -2.97 116.42 123.25 1d0i h ASP 98 Ca -0.03 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1d0i h ASP 98 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1d0i h ASP 98 CO 0.42 0.22 -0.32 0.61 -1.72 0.00 0.00 179.24 178.45 1d0i n GLY 99 N -1.33 -1.16 3.68 2.75 0.00 -1.26 -4.87 105.19 103.01 1d0i n GLY 99 Ca 0.18 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1d0i n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d0i s LEU 100 N -2.85 4.30 0.22 0.99 2.96 -1.13 -4.96 118.68 118.21 1d0i s LEU 100 Ca 0.16 2.10 -0.32 0.00 -0.22 0.00 0.00 54.13 55.85 1d0i s LEU 100 Cb 0.18 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.20 1d0i s LEU 100 CO 0.61 -0.79 1.70 -2.65 -1.32 0.00 0.00 176.35 173.90 1d0i n PRO 101 N 6.09 2.75 -4.20 0.98 -0.02 -1.26 -4.90 135.00 134.44 1d0i n PRO 101 Ca 0.15 0.99 -0.21 0.00 -2.02 0.00 0.00 63.50 62.41 1d0i n PRO 101 Cb 0.43 -2.82 -0.16 0.00 -0.02 0.00 0.00 33.50 30.93 1d0i n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d0i s VAL 102 N 0.93 0.63 -0.11 -1.45 1.01 -1.26 -1.16 120.40 118.99 1d0i s VAL 102 Ca 0.73 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1d0i s VAL 102 Cb -0.51 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1d0i s VAL 102 CO 0.36 0.25 -0.15 -0.69 0.00 0.00 0.00 175.10 174.87 1d0i s VAL 103 N 0.94 1.47 -0.06 2.92 1.01 -0.66 0.40 120.40 126.43 1d0i s VAL 103 Ca -0.11 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1d0i s VAL 103 Cb -0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1d0i s VAL 103 CO 0.00 0.44 0.40 -0.70 0.00 0.00 0.00 175.10 175.24 1d0i s GLU 104 N 1.09 4.08 -0.07 2.72 2.12 -0.32 -0.99 118.70 127.34 1d0i s GLU 104 Ca -0.04 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.66 1d0i s GLU 104 Cb -0.14 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.95 1d0i s GLU 104 CO -0.03 0.47 -0.10 0.08 -0.54 0.00 0.00 175.26 175.14 1d0i s VAL 105 N -0.35 0.96 -0.15 3.70 1.01 -0.18 -1.08 120.40 124.31 1d0i s VAL 105 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1d0i s VAL 105 Cb -0.16 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1d0i s VAL 105 CO 0.11 0.32 -0.15 -1.00 0.00 0.00 0.00 175.10 174.38 1d0i s HIS 106 N 0.86 2.78 0.07 5.22 3.76 0.10 -4.06 115.29 124.02 1d0i s HIS 106 Ca -0.11 -1.00 -0.21 0.00 -0.15 0.00 0.00 55.06 53.59 1d0i s HIS 106 Cb -0.15 -1.88 -0.11 0.00 1.11 0.00 0.00 32.58 31.55 1d0i s HIS 106 CO 0.01 -0.45 1.54 0.82 -0.85 0.00 0.00 174.74 175.82 1d0i h ILE 107 N 5.64 1.21 -4.33 0.60 2.04 -1.86 -1.57 117.51 119.23 1d0i h ILE 107 Ca -0.31 -0.68 -0.51 0.00 1.00 0.00 0.00 64.86 64.35 1d0i h ILE 107 Cb 1.19 1.36 0.06 0.00 -0.74 0.00 0.00 36.82 38.70 1d0i h ILE 107 CO 0.56 0.21 0.40 -0.94 0.00 0.00 0.00 178.15 178.38 1d0i s SER 108 N -5.68 6.14 -0.95 1.72 1.04 -1.26 -2.42 113.70 112.29 1d0i s SER 108 Ca -0.14 1.36 -0.20 0.00 0.48 0.00 0.00 55.95 57.45 1d0i s SER 108 Cb 0.06 -2.40 0.10 0.00 0.10 0.00 0.00 66.02 63.88 1d0i s SER 108 CO 0.71 -0.91 1.23 0.21 0.98 0.00 0.00 173.24 175.47 1d0i s ASN 109 N -4.20 6.57 0.62 7.02 3.84 -1.26 -1.77 114.94 125.76 1d0i s ASN 109 Ca 0.55 -1.79 0.34 0.00 0.21 0.00 0.00 52.86 52.17 1d0i s ASN 109 Cb -0.11 -2.46 1.95 0.00 -0.55 0.00 0.00 41.25 40.08 1d0i s ASN 109 CO 0.53 -1.23 2.22 0.16 -2.79 0.00 0.00 177.10 175.98 1d0i h ILE 110 N 6.17 0.30 0.00 -5.21 3.07 -1.92 -0.19 117.51 119.73 1d0i h ILE 110 Ca 0.15 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.56 1d0i h ILE 110 Cb 1.02 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 1d0i h ILE 110 CO 1.22 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.73 1d0i n HIS 111 N -3.51 0.00 -0.13 0.16 8.25 -1.26 -2.46 115.22 116.27 1d0i n HIS 111 Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1d0i n HIS 111 Cb 0.18 -0.42 0.24 0.00 1.12 0.00 0.00 29.99 31.10 1d0i n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1d0i n GLN 112 N -1.42 2.61 0.00 -0.41 6.02 -0.08 -4.98 117.38 119.11 1d0i n GLN 112 Ca 0.07 -2.33 0.00 0.00 -0.01 0.00 0.00 57.00 54.73 1d0i n GLN 112 Cb 0.21 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1d0i n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1d0i n ARG 113 N 1.23 3.54 -1.49 -1.09 1.74 -1.03 -5.08 116.66 114.48 1d0i n ARG 113 Ca 0.19 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.91 1d0i n ARG 113 Cb 0.54 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.08 1d0i n ARG 113 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1d0i s GLU 114 N 2.13 2.18 0.47 5.56 8.01 -1.26 -4.88 118.70 130.91 1d0i s GLU 114 Ca 0.00 1.91 0.20 0.00 0.01 0.00 0.00 54.97 57.10 1d0i s GLU 114 Cb 0.00 -1.82 1.21 0.00 -4.31 0.00 0.00 34.13 29.21 1d0i s GLU 114 CO 0.00 -1.84 1.95 -1.35 0.01 0.00 0.00 175.26 174.03 1d0i h PRO 115 N -0.06 0.22 0.00 0.39 0.11 -1.97 0.40 132.00 131.09 1d0i h PRO 115 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1d0i h PRO 115 Cb 1.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1d0i h PRO 115 CO 0.50 0.15 -0.22 0.27 -0.21 0.00 0.00 178.00 178.49 1d0i h PHE 116 N 0.23 0.00 -0.00 0.65 -5.15 -1.97 -2.20 116.94 108.50 1d0i h PHE 116 Ca 0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.10 1d0i h PHE 116 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.13 1d0i h PHE 116 CO -0.00 0.22 -0.00 0.54 -2.00 0.00 0.00 178.31 177.06 1d0i n ARG 117 N -3.45 0.49 0.20 6.09 1.74 0.13 -3.73 116.66 118.14 1d0i n ARG 117 Ca -0.00 -0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.16 1d0i n ARG 117 Cb 0.40 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.63 1d0i n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1d0i h HIS 118 N 0.02 0.00 -3.19 -1.55 3.86 -1.46 -3.44 115.15 109.39 1d0i h HIS 118 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1d0i h HIS 118 Cb 0.26 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.59 1d0i h HIS 118 CO 0.00 0.23 -0.56 -1.58 0.86 0.00 0.00 177.93 176.88 1d0i s HIS 119 N -3.35 3.29 -0.14 2.45 5.65 -1.24 -4.92 115.29 117.04 1d0i s HIS 119 Ca 0.03 0.17 0.02 0.00 0.25 0.00 0.00 55.06 55.53 1d0i s HIS 119 Cb 0.08 -2.01 0.01 0.00 -1.18 0.00 0.00 32.58 29.48 1d0i s HIS 119 CO 0.67 0.30 -0.19 0.45 -0.65 0.00 0.00 174.74 175.32 1d0i s SER 120 N -0.06 2.88 0.24 9.88 0.15 -1.26 -4.21 113.70 121.32 1d0i s SER 120 Ca 0.07 -0.55 -0.04 0.00 0.70 0.00 0.00 55.95 56.13 1d0i s SER 120 Cb -0.12 -1.32 0.27 0.00 -1.71 0.00 0.00 66.02 63.14 1d0i s SER 120 CO 0.01 0.04 1.73 1.88 1.20 0.00 0.00 173.24 178.10 1d0i h TYR 121 N 7.50 0.93 0.00 3.44 0.05 -1.17 -2.90 116.97 124.81 1d0i h TYR 121 Ca -0.34 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1d0i h TYR 121 Cb 1.17 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.66 1d0i h TYR 121 CO 0.47 0.84 -0.05 0.28 -1.05 0.00 0.00 178.16 178.65 1d0i h VAL 122 N 0.81 0.91 0.00 -2.88 2.07 -1.86 -3.01 116.25 112.29 1d0i h VAL 122 Ca 0.16 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1d0i h VAL 122 Cb 0.47 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1d0i h VAL 122 CO 0.02 0.05 -0.06 0.28 0.02 0.00 0.00 177.57 177.88 1d0i h SER 123 N 0.00 0.00 0.69 0.57 0.02 -1.87 -1.24 113.55 111.72 1d0i h SER 123 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1d0i h SER 123 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1d0i h SER 123 CO 0.01 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1d0i n GLN 124 N -4.01 0.03 -0.05 3.45 10.64 -1.14 -3.88 117.38 122.42 1d0i n GLN 124 Ca -0.03 0.20 -0.06 0.00 -1.83 0.00 0.00 57.00 55.29 1d0i n GLN 124 Cb 0.15 -1.55 -0.06 0.00 -0.86 0.00 0.00 30.24 27.91 1d0i n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1d0i n ARG 125 N -1.61 1.67 -1.65 2.61 3.00 -0.71 -5.03 116.66 114.93 1d0i n ARG 125 Ca 0.04 0.02 -0.43 0.00 -0.00 0.00 0.00 57.85 57.49 1d0i n ARG 125 Cb 0.23 -1.23 -0.00 0.00 0.00 0.00 0.00 32.46 31.46 1d0i n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1d0i n ALA 126 N -2.53 0.70 -0.10 5.13 0.00 -0.55 -4.88 120.51 118.28 1d0i n ALA 126 Ca -0.17 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1d0i n ALA 126 Cb 0.76 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 1d0i n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1d0i h ASP 127 N 2.17 0.56 -4.98 0.00 3.32 -0.40 -3.46 116.42 113.63 1d0i h ASP 127 Ca -0.44 -0.35 -0.17 0.00 0.02 0.00 0.00 57.03 56.09 1d0i h ASP 127 Cb 1.31 -0.15 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 1d0i h ASP 127 CO 0.61 0.78 -0.69 -0.83 -1.72 0.00 0.00 179.24 177.39 1d0i s GLY 128 N -3.31 0.51 -0.08 2.75 0.00 -1.22 -5.05 107.32 100.93 1d0i s GLY 128 Ca -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 1d0i s GLY 128 CO 0.78 -1.19 -0.02 0.14 0.00 0.00 0.00 173.10 172.81 1d0i s VAL 129 N -3.15 0.51 -0.17 1.40 1.01 -1.26 -1.18 120.40 117.56 1d0i s VAL 129 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1d0i s VAL 129 Cb 0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1d0i s VAL 129 CO -0.06 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 174.53 1d0i s VAL 130 N 1.81 3.13 0.00 2.92 1.01 -0.24 -4.99 120.40 124.05 1d0i s VAL 130 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1d0i s VAL 130 Cb -0.12 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1d0i s VAL 130 CO -0.05 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 175.52 1d0i s ALA 131 N 0.83 0.10 -0.87 5.51 0.00 -1.26 -0.72 121.76 125.35 1d0i s ALA 131 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1d0i s ALA 131 Cb -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1d0i s ALA 131 CO 0.01 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1d0i n GLY 132 N 2.84 0.97 1.43 0.00 0.00 -0.59 -4.78 105.19 105.06 1d0i n GLY 132 Ca -0.14 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1d0i n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0i n GLY 134 N 0.42 0.75 0.16 0.00 0.00 -1.01 -2.89 105.19 102.61 1d0i n GLY 134 Ca 0.24 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.61 1d0i n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1d0i h VAL 135 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -2.07 116.25 112.40 1d0i h VAL 135 Ca 0.00 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 65.16 1d0i h VAL 135 Cb 0.00 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1d0i h VAL 135 CO 0.00 0.00 -0.10 -0.61 -1.23 0.00 0.00 177.57 175.63 1d0i h GLN 136 N 0.00 0.00 0.00 5.19 4.15 -1.95 -0.27 115.11 122.23 1d0i h GLN 136 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1d0i h GLN 136 Cb 0.39 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1d0i h GLN 136 CO 0.00 0.10 -0.01 0.78 -1.93 0.00 0.00 178.83 177.77 1d0i h GLY 137 N 0.57 0.00 1.62 2.39 0.00 -1.25 -0.10 103.07 106.29 1d0i h GLY 137 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1d0i h GLY 137 CO 0.01 0.00 -0.31 -0.97 0.00 0.00 0.00 176.54 175.28 1d0i h TYR 138 N 0.00 0.49 -0.39 5.60 -1.99 -1.24 -0.93 116.97 118.50 1d0i h TYR 138 Ca -0.00 -0.12 0.01 0.00 2.00 0.00 0.00 58.73 60.62 1d0i h TYR 138 Cb 0.01 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.60 1d0i h TYR 138 CO 0.00 0.70 0.25 0.28 -0.00 0.00 0.00 178.16 179.39 1d0i h VAL 139 N 0.38 1.08 -0.33 -2.88 2.07 -1.16 -0.31 116.25 115.09 1d0i h VAL 139 Ca 0.05 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1d0i h VAL 139 Cb 0.73 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1d0i h VAL 139 CO 0.06 0.09 0.16 -0.26 0.02 0.00 0.00 177.57 177.64 1d0i h PHE 140 N 0.51 0.30 -0.39 1.57 0.04 -1.09 -0.24 116.94 117.64 1d0i h PHE 140 Ca 0.15 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.01 1d0i h PHE 140 Cb -0.04 -0.09 -0.09 0.00 2.20 0.00 0.00 35.95 37.93 1d0i h PHE 140 CO -0.06 0.16 -0.33 0.78 -0.60 0.00 0.00 178.31 178.26 1d0i h GLY 141 N 0.34 -0.27 1.03 -1.45 0.00 -0.85 0.49 103.07 102.35 1d0i h GLY 141 Ca 0.14 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 1d0i h GLY 141 CO -0.10 -0.21 0.42 -2.08 0.00 0.00 0.00 176.54 174.57 1d0i h VAL 142 N -0.26 1.25 -0.76 4.60 2.07 -0.40 -1.29 116.25 121.46 1d0i h VAL 142 Ca 0.17 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1d0i h VAL 142 Cb 0.54 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1d0i h VAL 142 CO -0.53 0.30 0.32 -0.33 0.02 0.00 0.00 177.57 177.34 1d0i h GLU 143 N 1.17 1.12 -0.18 1.57 5.08 -0.57 -0.68 114.58 122.09 1d0i h GLU 143 Ca 0.29 -0.19 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 1d0i h GLU 143 Cb 0.08 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1d0i h GLU 143 CO -0.04 0.90 -0.58 -0.09 -1.00 0.00 0.00 179.01 178.20 1d0i h ARG 144 N 1.10 0.59 -0.48 2.33 9.65 -0.54 -1.66 114.38 125.36 1d0i h ARG 144 Ca 0.26 -0.38 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1d0i h ARG 144 Cb 0.19 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1d0i h ARG 144 CO -0.02 1.00 0.27 0.82 2.80 0.00 0.00 179.97 184.84 1d0i h ILE 145 N 0.44 1.16 -0.41 1.20 1.08 -0.78 -0.40 117.51 119.81 1d0i h ILE 145 Ca 0.00 -0.39 0.03 0.00 -0.39 0.00 0.00 64.86 64.12 1d0i h ILE 145 Cb 1.13 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 1d0i h ILE 145 CO 0.11 0.17 0.20 0.00 -0.69 0.00 0.00 178.15 177.93 1d0i h ALA 146 N 1.12 0.50 -0.60 1.87 0.00 -0.97 0.96 119.26 122.15 1d0i h ALA 146 Ca 0.17 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1d0i h ALA 146 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1d0i h ALA 146 CO -0.03 -0.16 0.06 0.00 0.00 0.00 0.00 179.25 179.12 1d0i h ALA 147 N 1.22 0.98 -0.21 0.00 0.00 -0.84 -2.62 119.26 117.79 1d0i h ALA 147 Ca 0.17 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1d0i h ALA 147 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1d0i h ALA 147 CO -0.13 0.63 -0.65 -0.07 0.00 0.00 0.00 179.25 179.04 1d0i h LEU 148 N 0.93 0.87 -0.80 0.00 3.38 -0.70 -3.23 115.31 115.76 1d0i h LEU 148 Ca 0.18 -0.51 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 1d0i h LEU 148 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1d0i h LEU 148 CO 0.02 1.30 -0.45 0.00 0.09 0.00 0.00 178.44 179.40 1d0i h ALA 149 N 0.71 0.97 0.00 1.53 0.00 -0.80 -3.49 119.26 118.18 1d0i h ALA 149 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1d0i h ALA 149 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1d0i h ALA 149 CO 0.13 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.43