#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fb0 n ASN -1 N 0.00 6.20 0.00 0.00 4.13 -1.26 -5.19 115.26 119.14 2fb0 n ASN -1 Ca 0.00 -2.79 0.00 0.00 1.68 0.00 0.00 54.58 53.47 2fb0 n ASN -1 Cb 0.00 -1.36 0.00 0.00 -1.54 0.00 0.00 39.78 36.88 2fb0 n ASN -1 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2fb0 n SER 0 N 1.97 0.00 -3.66 6.41 2.88 -1.26 -4.83 113.62 115.13 2fb0 n SER 0 Ca 0.50 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.96 2fb0 n SER 0 Cb 0.68 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.06 2fb0 n SER 0 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2fb0 s ILE 2 N 0.00 -0.13 -0.20 2.46 -1.09 0.29 -4.20 121.20 118.33 2fb0 s ILE 2 Ca 0.00 0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.38 2fb0 s ILE 2 Cb 0.00 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.97 2fb0 s ILE 2 CO 0.00 0.01 0.06 -0.60 -1.23 0.00 0.00 174.94 173.18 2fb0 s ARG 3 N 1.74 3.87 -0.10 2.79 6.06 0.43 -0.34 118.95 133.39 2fb0 s ARG 3 Ca -0.09 -0.39 -0.01 0.00 -2.50 0.00 0.00 55.73 52.74 2fb0 s ARG 3 Cb -0.07 -3.23 -0.03 0.00 0.06 0.00 0.00 34.95 31.68 2fb0 s ARG 3 CO -0.18 0.14 -0.06 -0.51 -2.50 0.00 0.00 175.30 172.19 2fb0 s LEU 4 N 0.73 3.15 -0.26 -0.88 1.43 -0.24 -0.64 118.68 121.97 2fb0 s LEU 4 Ca 0.03 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2fb0 s LEU 4 Cb -0.13 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.41 2fb0 s LEU 4 CO 0.02 0.28 -0.07 0.20 0.23 0.00 0.00 176.35 177.01 2fb0 s ASN 5 N -0.31 4.37 -0.32 2.29 0.01 -0.17 -1.15 114.94 119.65 2fb0 s ASN 5 Ca 0.04 -1.06 -0.02 0.00 -0.71 0.00 0.00 52.86 51.11 2fb0 s ASN 5 Cb -0.13 -1.63 0.06 0.00 0.41 0.00 0.00 41.25 39.96 2fb0 s ASN 5 CO 0.02 -0.16 0.05 -0.69 -1.51 0.00 0.00 177.10 174.81 2fb0 s VAL 6 N 1.25 3.07 -0.03 1.60 1.01 0.61 -1.01 120.40 126.91 2fb0 s VAL 6 Ca -0.03 -1.53 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 2fb0 s VAL 6 Cb -0.18 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2fb0 s VAL 6 CO -0.05 -0.24 0.49 -0.36 0.00 0.00 0.00 175.10 174.94 2fb0 s PHE 7 N 1.23 3.66 -0.10 5.22 0.08 -0.11 0.09 117.98 128.04 2fb0 s PHE 7 Ca -0.02 1.04 0.02 0.00 0.12 0.00 0.00 56.93 58.09 2fb0 s PHE 7 Cb -0.20 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 2fb0 s PHE 7 CO -0.02 0.42 -0.15 0.08 -0.10 0.00 0.00 175.22 175.46 2fb0 s VAL 8 N -0.35 1.43 -0.19 -0.44 1.01 0.45 -0.50 120.40 121.81 2fb0 s VAL 8 Ca 0.26 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2fb0 s VAL 8 Cb -0.17 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2fb0 s VAL 8 CO 0.14 0.43 0.02 -0.60 0.00 0.00 0.00 175.10 175.08 2fb0 s ARG 9 N 0.92 3.75 -0.04 2.72 3.00 -0.16 -1.28 118.95 127.84 2fb0 s ARG 9 Ca -0.08 -0.46 -0.04 0.00 -1.00 0.00 0.00 55.73 54.14 2fb0 s ARG 9 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 34.95 31.71 2fb0 s ARG 9 CO -0.00 0.13 0.12 0.54 0.00 0.00 0.00 175.30 176.09 2fb0 s VAL 10 N 0.70 0.00 0.91 7.11 0.11 0.17 -1.29 120.40 128.11 2fb0 s VAL 10 Ca 0.01 -0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 2fb0 s VAL 10 Cb -0.14 -0.18 0.14 0.00 -1.53 0.00 0.00 36.38 34.66 2fb0 s VAL 10 CO 0.02 -0.02 1.15 0.54 -3.33 0.00 0.00 175.10 173.47 2fb0 s ASN 11 N -0.00 3.54 0.29 3.54 2.20 -1.26 -4.40 114.94 118.86 2fb0 s ASN 11 Ca -0.01 0.88 0.04 0.00 -0.94 0.00 0.00 52.86 52.83 2fb0 s ASN 11 Cb -0.01 -1.40 0.46 0.00 -2.00 0.00 0.00 41.25 38.30 2fb0 s ASN 11 CO 0.00 -2.52 1.74 -0.08 -2.94 0.00 0.00 177.10 173.30 2fb0 h GLU 12 N -1.48 0.43 -0.90 3.55 4.57 -1.98 -0.50 114.58 118.28 2fb0 h GLU 12 Ca -0.49 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 57.52 2fb0 h GLU 12 Cb 1.32 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 2fb0 h GLU 12 CO 0.60 0.65 0.51 1.15 -1.18 0.00 0.00 179.01 180.74 2fb0 h THR 13 N 0.38 1.26 -0.01 0.32 2.02 -2.00 -3.22 112.91 111.66 2fb0 h THR 13 Ca 0.06 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2fb0 h THR 13 Cb 0.65 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2fb0 h THR 13 CO 0.05 0.28 -0.64 0.59 0.37 0.00 0.00 175.52 176.16 2fb0 n ASN 14 N -4.36 1.51 0.17 4.18 3.02 -1.01 -4.68 115.26 114.08 2fb0 n ASN 14 Ca 0.10 -1.22 -0.15 0.00 -0.03 0.00 0.00 54.58 53.28 2fb0 n ASN 14 Cb 0.08 0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 39.80 2fb0 n ASN 14 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2fb0 h ARG 15 N 1.36 -0.66 -0.86 3.52 2.43 -1.10 -1.00 114.38 118.07 2fb0 h ARG 15 Ca 0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2fb0 h ARG 15 Cb 0.63 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 2fb0 h ARG 15 CO 0.00 -0.44 0.43 1.49 -1.51 0.00 0.00 179.97 179.95 2fb0 h GLU 16 N -0.68 1.23 -0.45 0.20 4.22 -1.83 -1.83 114.58 115.44 2fb0 h GLU 16 Ca 0.00 -0.17 -0.07 0.00 0.08 0.00 0.00 59.36 59.20 2fb0 h GLU 16 Cb 0.67 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2fb0 h GLU 16 CO -0.16 0.93 -0.00 0.87 -2.18 0.00 0.00 179.01 178.47 2fb0 h LYS 17 N 1.22 0.80 -0.48 1.92 1.57 -1.78 -0.69 116.57 119.13 2fb0 h LYS 17 Ca 0.30 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2fb0 h LYS 17 Cb 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2fb0 h LYS 17 CO -0.04 0.86 0.11 0.00 -0.57 0.00 0.00 179.45 179.81 2fb0 h ALA 18 N 0.91 0.63 -0.53 3.86 0.00 -0.98 -1.64 119.26 121.51 2fb0 h ALA 18 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2fb0 h ALA 18 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2fb0 h ALA 18 CO 0.02 0.32 0.27 0.82 0.00 0.00 0.00 179.25 180.68 2fb0 h ILE 19 N 0.64 1.19 -0.37 0.00 2.04 -1.25 -1.12 117.51 118.63 2fb0 h ILE 19 Ca 0.15 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2fb0 h ILE 19 Cb 0.33 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2fb0 h ILE 19 CO 0.00 0.21 -0.01 -0.33 0.00 0.00 0.00 178.15 178.02 2fb0 h GLU 20 N 0.70 0.60 -0.50 2.37 4.39 -1.02 0.18 114.58 121.30 2fb0 h GLU 20 Ca 0.18 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 2fb0 h GLU 20 Cb 0.09 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2fb0 h GLU 20 CO -0.03 0.63 -0.18 0.00 -1.16 0.00 0.00 179.01 178.27 2fb0 h ALA 21 N 1.42 0.69 -0.53 3.43 0.00 -1.03 -1.13 119.26 122.12 2fb0 h ALA 21 Ca 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2fb0 h ALA 21 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2fb0 h ALA 21 CO 0.01 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.05 2fb0 h ALA 22 N 0.88 0.70 -0.73 0.00 0.00 -0.69 -0.57 119.26 118.85 2fb0 h ALA 22 Ca 0.12 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2fb0 h ALA 22 Cb 0.76 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2fb0 h ALA 22 CO 0.06 0.40 0.46 0.87 0.00 0.00 0.00 179.25 181.04 2fb0 h LYS 23 N 0.74 0.88 -0.49 0.00 1.57 -0.55 0.25 116.57 118.97 2fb0 h LYS 23 Ca 0.16 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2fb0 h LYS 23 Cb 0.34 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2fb0 h LYS 23 CO 0.00 0.58 -0.13 0.93 -0.57 0.00 0.00 179.45 180.26 2fb0 h GLU 24 N 0.90 0.94 -0.38 3.15 4.39 -1.02 -2.10 114.58 120.46 2fb0 h GLU 24 Ca 0.29 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2fb0 h GLU 24 Cb 0.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2fb0 h GLU 24 CO -0.10 1.01 -0.02 1.25 -1.16 0.00 0.00 179.01 179.98 2fb0 h LEU 25 N 0.83 0.59 0.16 1.33 5.85 -0.70 -2.05 115.31 121.32 2fb0 h LEU 25 Ca 0.13 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2fb0 h LEU 25 Cb 0.68 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2fb0 h LEU 25 CO 0.05 0.68 -0.08 0.74 -0.34 0.00 0.00 178.44 179.49 2fb0 h THR 26 N 0.59 0.85 -0.93 1.05 2.02 -0.24 0.30 112.91 116.53 2fb0 h THR 26 Ca 0.12 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2fb0 h THR 26 Cb 0.41 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 2fb0 h THR 26 CO 0.02 0.01 0.60 0.00 0.37 0.00 0.00 175.52 176.52 2fb0 h ALA 27 N 0.60 1.24 -0.18 6.16 0.00 -1.22 -1.94 119.26 123.92 2fb0 h ALA 27 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2fb0 h ALA 27 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2fb0 h ALA 27 CO 0.04 0.46 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 2fb0 h SER 29 N 0.05 0.90 -0.00 0.00 0.02 -0.76 -2.66 113.55 111.10 2fb0 h SER 29 Ca 0.05 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2fb0 h SER 29 Cb 0.45 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2fb0 h SER 29 CO 0.01 0.99 0.03 -0.07 -1.14 0.00 0.00 176.83 176.66 2fb0 h LEU 30 N 0.83 0.00 -0.03 5.07 3.38 -1.41 -0.00 115.31 123.14 2fb0 h LEU 30 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2fb0 h LEU 30 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2fb0 h LEU 30 CO 0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.86 2fb0 n LYS 31 N -3.14 0.20 -2.57 1.13 5.02 -1.00 -4.80 118.16 113.01 2fb0 n LYS 31 Ca -0.03 0.18 -0.41 0.00 -2.02 0.00 0.00 58.31 56.03 2fb0 n LYS 31 Cb 0.10 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.33 2fb0 n LYS 31 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2fb0 s GLU 32 N -3.09 4.59 0.19 1.97 2.02 -0.02 -4.96 118.70 119.41 2fb0 s GLU 32 Ca 0.11 1.63 -0.10 0.00 0.02 0.00 0.00 54.97 56.63 2fb0 s GLU 32 Cb 0.14 -3.33 0.12 0.00 0.10 0.00 0.00 34.13 31.16 2fb0 s GLU 32 CO 0.57 0.04 1.79 1.49 0.02 0.00 0.00 175.26 179.17 2fb0 h GLU 33 N 5.65 0.99 -0.00 1.61 4.57 -1.87 -2.11 114.58 123.43 2fb0 h GLU 33 Ca -0.43 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 2fb0 h GLU 33 Cb 1.21 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2fb0 h GLU 33 CO 0.74 0.77 -0.00 0.41 -1.18 0.00 0.00 179.01 179.75 2fb0 n GLY 34 N -0.99 -1.05 3.59 1.92 0.00 -1.26 -4.69 105.19 102.71 2fb0 n GLY 34 Ca 0.06 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2fb0 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fb0 h ILE 36 N 6.04 1.17 -2.77 0.00 2.04 -1.04 -3.47 117.51 119.49 2fb0 h ILE 36 Ca -0.23 -2.58 -0.09 0.00 1.00 0.00 0.00 64.86 62.96 2fb0 h ILE 36 Cb 1.07 2.94 -0.18 0.00 -0.74 0.00 0.00 36.82 39.91 2fb0 h ILE 36 CO 1.04 0.80 -0.08 0.00 0.00 0.00 0.00 178.15 179.91 2fb0 s ALA 37 N -2.55 -1.14 -0.29 1.87 0.00 -0.90 -4.94 121.76 113.81 2fb0 s ALA 37 Ca -0.13 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 2fb0 s ALA 37 Cb 0.04 0.18 0.14 0.00 0.00 0.00 0.00 23.12 23.48 2fb0 s ALA 37 CO 0.88 -0.38 0.89 -0.47 0.00 0.00 0.00 175.76 176.68 2fb0 s TYR 38 N -1.79 -0.79 0.10 0.00 5.04 -1.26 -0.32 117.35 118.34 2fb0 s TYR 38 Ca -0.09 1.48 -0.20 0.00 -2.44 0.00 0.00 57.07 55.82 2fb0 s TYR 38 Cb -0.02 0.47 0.05 0.00 0.35 0.00 0.00 41.96 42.81 2fb0 s TYR 38 CO 0.03 -0.39 0.49 0.34 -1.34 0.00 0.00 175.55 174.67 2fb0 s ASP 39 N 1.92 -0.38 -0.16 4.32 2.15 -0.60 -4.95 116.67 118.98 2fb0 s ASP 39 Ca -0.07 -0.07 -0.07 0.00 0.43 0.00 0.00 52.55 52.78 2fb0 s ASP 39 Cb -0.06 0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 43.03 2fb0 s ASP 39 CO -0.17 -0.83 0.06 -0.89 -0.17 0.00 0.00 175.17 173.17 2fb0 s THR 40 N -3.28 4.78 -0.06 1.71 2.01 -1.26 -1.76 115.64 117.78 2fb0 s THR 40 Ca -0.01 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2fb0 s THR 40 Cb 0.00 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.40 2fb0 s THR 40 CO -0.08 0.50 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.87 2fb0 s PHE 41 N 0.06 1.33 -0.10 4.92 0.08 -1.26 -5.02 117.98 117.98 2fb0 s PHE 41 Ca 0.05 -0.45 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 2fb0 s PHE 41 Cb -0.12 -0.98 -0.05 0.00 -0.57 0.00 0.00 43.02 41.30 2fb0 s PHE 41 CO 0.01 -0.24 0.23 -1.21 -0.10 0.00 0.00 175.22 173.91 2fb0 s GLU 42 N 0.59 3.75 0.26 0.44 2.02 -1.26 -4.50 118.70 119.99 2fb0 s GLU 42 Ca -0.12 0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 2fb0 s GLU 42 Cb -0.14 -3.25 -0.11 0.00 0.10 0.00 0.00 34.13 30.72 2fb0 s GLU 42 CO 0.03 0.64 1.55 0.45 0.02 0.00 0.00 175.26 177.95 2fb0 s SER 43 N -0.71 6.49 0.20 -0.19 0.15 -0.66 -4.89 113.70 114.09 2fb0 s SER 43 Ca 0.17 2.82 0.26 0.00 0.70 0.00 0.00 55.95 59.90 2fb0 s SER 43 Cb -0.13 -2.62 0.81 0.00 -1.71 0.00 0.00 66.02 62.36 2fb0 s SER 43 CO 0.06 -0.84 1.77 -1.20 1.20 0.00 0.00 173.24 174.22 2fb0 n SER 44 N 2.56 0.78 -0.01 5.45 7.64 -1.26 -4.15 113.62 124.63 2fb0 n SER 44 Ca 0.09 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2fb0 n SER 44 Cb 0.38 -0.75 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 2fb0 n SER 44 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2fb0 n THR 45 N -2.23 0.14 -3.87 0.44 -2.24 -1.26 -4.96 114.28 100.29 2fb0 n THR 45 Ca 0.06 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 2fb0 n THR 45 Cb 0.43 -0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.35 2fb0 n THR 45 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2fb0 s ARG 46 N -2.25 1.26 0.49 -0.78 0.52 -1.26 -5.01 118.95 111.90 2fb0 s ARG 46 Ca -0.02 -1.05 0.24 0.00 -0.52 0.00 0.00 55.73 54.39 2fb0 s ARG 46 Cb 0.02 -2.46 1.30 0.00 0.52 0.00 0.00 34.95 34.33 2fb0 s ARG 46 CO 0.21 -0.74 1.90 0.00 0.02 0.00 0.00 175.30 176.69 2fb0 h ARG 47 N 7.98 0.17 -0.20 3.54 2.47 -1.93 -1.98 114.38 124.43 2fb0 h ARG 47 Ca -0.15 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2fb0 h ARG 47 Cb 1.06 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2fb0 h ARG 47 CO 0.43 0.11 0.00 -0.40 0.56 0.00 0.00 179.97 180.67 2fb0 n ASP 48 N -4.39 1.99 -4.23 7.04 5.75 -1.26 -4.85 116.55 116.60 2fb0 n ASP 48 Ca 0.17 -1.76 -0.32 0.00 -0.01 0.00 0.00 54.79 52.87 2fb0 n ASP 48 Cb 0.77 -0.13 -0.17 0.00 -1.03 0.00 0.00 41.12 40.57 2fb0 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2fb0 s VAL 49 N -1.75 2.15 0.00 2.12 1.01 -0.75 -0.66 120.40 122.53 2fb0 s VAL 49 Ca 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2fb0 s VAL 49 Cb 0.18 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2fb0 s VAL 49 CO 0.27 0.56 0.00 2.22 0.00 0.00 0.00 175.10 178.15 2fb0 n PHE 50 N 3.57 0.00 -3.69 5.22 -1.74 -0.40 -1.65 117.46 118.76 2fb0 n PHE 50 Ca -0.19 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.55 2fb0 n PHE 50 Cb 0.53 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.38 2fb0 n PHE 50 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2fb0 s ILE 52 N -0.51 -0.21 -0.17 1.97 1.01 0.11 -0.42 121.20 122.99 2fb0 s ILE 52 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 2fb0 s ILE 52 Cb 0.00 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 2fb0 s ILE 52 CO 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 174.94 175.04 2fb0 s GLU 54 N 0.48 0.56 -0.07 0.00 2.02 -0.30 -1.55 118.70 119.83 2fb0 s GLU 54 Ca -0.02 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.31 2fb0 s GLU 54 Cb -0.14 -0.40 0.02 0.00 0.10 0.00 0.00 34.13 33.71 2fb0 s GLU 54 CO 0.02 0.08 -0.11 0.99 0.02 0.00 0.00 175.26 176.27 2fb0 s THR 55 N -1.13 1.08 -0.03 3.63 2.01 0.56 -1.08 115.64 120.68 2fb0 s THR 55 Ca -0.07 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.57 2fb0 s THR 55 Cb -0.09 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2fb0 s THR 55 CO 0.01 0.35 -0.17 0.26 -0.69 0.00 0.00 174.62 174.37 2fb0 s TRP 56 N 0.90 2.61 0.29 4.92 0.52 0.54 -0.45 118.94 128.27 2fb0 s TRP 56 Ca -0.10 -0.23 -0.01 0.00 0.02 0.00 0.00 56.10 55.78 2fb0 s TRP 56 Cb -0.15 -1.57 0.46 0.00 -1.15 0.00 0.00 33.47 31.06 2fb0 s TRP 56 CO 0.01 0.16 1.91 0.37 0.02 0.00 0.00 176.95 179.42 2fb0 h GLN 57 N 5.21 1.08 -2.62 4.98 4.15 -1.36 0.84 115.11 127.39 2fb0 h GLN 57 Ca -0.46 -0.06 0.12 0.00 0.77 0.00 0.00 58.65 59.02 2fb0 h GLN 57 Cb 1.15 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.56 2fb0 h GLN 57 CO 0.49 0.71 0.49 0.54 -1.93 0.00 0.00 178.83 179.14 2fb0 s ASN 58 N -6.02 -0.03 0.40 -0.69 2.20 -1.26 -4.54 114.94 104.99 2fb0 s ASN 58 Ca -0.12 -0.74 0.08 0.00 -0.94 0.00 0.00 52.86 51.14 2fb0 s ASN 58 Cb 0.20 0.58 0.81 0.00 -2.00 0.00 0.00 41.25 40.84 2fb0 s ASN 58 CO 0.80 -1.15 1.98 0.00 -2.94 0.00 0.00 177.10 175.80 2fb0 h ALA 59 N 2.00 1.59 0.06 3.54 0.00 -1.90 -2.81 119.26 121.75 2fb0 h ALA 59 Ca -0.28 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 2fb0 h ALA 59 Cb 1.23 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2fb0 h ALA 59 CO 0.35 0.31 -1.09 0.93 0.00 0.00 0.00 179.25 179.75 2fb0 h GLU 60 N 0.40 0.47 0.00 0.00 4.39 -1.97 -1.36 114.58 116.51 2fb0 h GLU 60 Ca 0.10 -0.58 -0.09 0.00 0.34 0.00 0.00 59.36 59.12 2fb0 h GLU 60 Cb 0.16 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2fb0 h GLU 60 CO -0.00 1.22 -0.44 -0.39 -1.16 0.00 0.00 179.01 178.24 2fb0 h VAL 61 N 0.23 1.27 -0.21 3.13 -1.51 -1.93 -1.54 116.25 115.69 2fb0 h VAL 61 Ca -0.12 -1.54 -0.05 0.00 -1.23 0.00 0.00 66.70 63.76 2fb0 h VAL 61 Cb 1.75 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 32.75 2fb0 h VAL 61 CO 0.19 0.43 -0.05 0.25 -1.23 0.00 0.00 177.57 177.17 2fb0 h LEU 62 N 0.00 0.40 -0.56 4.19 5.85 -1.44 -1.12 115.31 122.63 2fb0 h LEU 62 Ca -0.00 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2fb0 h LEU 62 Cb 0.81 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2fb0 h LEU 62 CO 0.06 0.67 0.30 0.00 -0.34 0.00 0.00 178.44 179.13 2fb0 h ALA 63 N 0.74 0.73 -0.66 1.25 0.00 -1.10 -1.50 119.26 118.72 2fb0 h ALA 63 Ca 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2fb0 h ALA 63 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2fb0 h ALA 63 CO 0.02 -0.03 0.30 0.00 0.00 0.00 0.00 179.25 179.54 2fb0 h ALA 64 N 1.29 0.86 -0.78 0.00 0.00 -1.26 -2.62 119.26 116.74 2fb0 h ALA 64 Ca 0.25 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2fb0 h ALA 64 Cb 0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 2fb0 h ALA 64 CO -0.16 0.44 0.37 1.25 0.00 0.00 0.00 179.25 181.15 2fb0 h HIS 65 N 0.93 0.65 0.00 0.00 6.17 -0.52 -1.81 115.15 120.56 2fb0 h HIS 65 Ca 0.23 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.34 2fb0 h HIS 65 Cb 0.15 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 29.92 2fb0 h HIS 65 CO 0.01 0.15 0.00 0.39 0.71 0.00 0.00 177.93 179.19 2fb0 n GLU 66 N -4.91 0.13 0.00 5.26 1.02 -0.63 -2.01 120.64 119.50 2fb0 n GLU 66 Ca 0.15 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.53 2fb0 n GLU 66 Cb 0.39 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.34 2fb0 n GLU 66 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2fb0 n LYS 67 N -1.40 1.66 -2.07 3.49 5.02 -0.69 -4.78 118.16 119.40 2fb0 n LYS 67 Ca 0.07 -1.33 -0.32 0.00 -2.02 0.00 0.00 58.31 54.70 2fb0 n LYS 67 Cb 0.19 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2fb0 n LYS 67 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2fb0 s THR 68 N -2.11 4.11 0.14 -0.18 -4.23 -0.85 -4.96 115.64 107.56 2fb0 s THR 68 Ca 0.21 0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 61.50 2fb0 s THR 68 Cb 0.17 -3.52 0.02 0.00 1.34 0.00 0.00 72.50 70.51 2fb0 s THR 68 CO 0.42 -0.65 1.70 0.00 -0.54 0.00 0.00 174.62 175.55 2fb0 h ALA 69 N 0.36 0.58 -0.64 3.99 0.00 -1.94 -2.40 119.26 119.20 2fb0 h ALA 69 Ca -0.46 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2fb0 h ALA 69 Cb 1.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2fb0 h ALA 69 CO 0.59 0.17 0.30 1.12 0.00 0.00 0.00 179.25 181.42 2fb0 h HIS 70 N 0.58 0.91 0.58 0.00 2.07 -1.93 0.66 115.15 118.01 2fb0 h HIS 70 Ca 0.15 -0.04 -0.03 0.00 -2.85 0.00 0.00 60.37 57.61 2fb0 h HIS 70 Cb 0.17 -0.29 0.01 0.00 2.57 0.00 0.00 27.41 29.87 2fb0 h HIS 70 CO -0.00 0.67 -0.28 0.35 -3.07 0.00 0.00 177.93 175.61 2fb0 h PHE 71 N 0.91 -0.72 -0.72 6.12 3.04 -1.79 -1.26 116.94 122.53 2fb0 h PHE 71 Ca 0.22 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.23 2fb0 h PHE 71 Cb 0.11 0.24 -0.06 0.00 2.56 0.00 0.00 35.95 38.80 2fb0 h PHE 71 CO 0.01 -0.43 0.39 0.00 -2.02 0.00 0.00 178.31 176.26 2fb0 h ALA 72 N -0.40 0.99 0.67 2.41 0.00 -1.16 -0.20 119.26 121.57 2fb0 h ALA 72 Ca -0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2fb0 h ALA 72 Cb 0.61 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2fb0 h ALA 72 CO 0.13 0.04 -0.32 0.37 0.00 0.00 0.00 179.25 179.47 2fb0 h GLN 73 N 0.69 -0.86 0.07 0.00 4.15 -0.81 -1.66 115.11 116.69 2fb0 h GLN 73 Ca 0.34 0.06 -0.25 0.00 0.77 0.00 0.00 58.65 59.57 2fb0 h GLN 73 Cb 0.28 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2fb0 h GLN 73 CO -0.22 -0.54 -1.09 1.88 -1.93 0.00 0.00 178.83 176.92 2fb0 h TYR 74 N -1.01 0.54 -0.48 3.99 -1.99 -1.14 -2.05 116.97 114.83 2fb0 h TYR 74 Ca -0.09 -0.34 -0.09 0.00 2.00 0.00 0.00 58.73 60.21 2fb0 h TYR 74 Cb 0.72 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.39 2fb0 h TYR 74 CO -0.01 1.21 -0.05 0.28 -0.00 0.00 0.00 178.16 179.59 2fb0 h VAL 75 N 0.15 1.27 -0.45 -2.88 2.07 -1.14 -0.71 116.25 114.56 2fb0 h VAL 75 Ca -0.11 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 66.36 2fb0 h VAL 75 Cb 1.77 1.04 -0.09 0.00 -1.52 0.00 0.00 31.29 32.49 2fb0 h VAL 75 CO 0.18 0.40 -0.10 1.23 0.02 0.00 0.00 177.57 179.30 2fb0 h GLY 76 N 0.74 0.34 0.83 2.17 0.00 -1.25 0.93 103.07 106.84 2fb0 h GLY 76 Ca 0.13 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.62 2fb0 h GLY 76 CO 0.03 -0.17 -0.02 -2.22 0.00 0.00 0.00 176.54 174.16 2fb0 h ILE 77 N 0.01 0.91 -0.71 2.60 2.04 -1.01 -2.04 117.51 119.30 2fb0 h ILE 77 Ca 0.22 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 2fb0 h ILE 77 Cb 0.33 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2fb0 h ILE 77 CO -0.46 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.42 2fb0 h ILE 78 N -0.01 1.24 0.00 -0.67 2.04 -0.71 -2.03 117.51 117.37 2fb0 h ILE 78 Ca 0.04 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2fb0 h ILE 78 Cb 0.07 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2fb0 h ILE 78 CO -0.08 0.28 -0.12 1.56 0.00 0.00 0.00 178.15 179.79 2fb0 h GLN 79 N 1.00 0.00 0.00 2.37 4.20 -0.63 0.22 115.11 122.27 2fb0 h GLN 79 Ca 0.24 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.78 2fb0 h GLN 79 Cb 0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2fb0 h GLN 79 CO -0.03 0.12 -0.83 1.49 -0.67 0.00 0.00 178.83 178.91 2fb0 h GLU 80 N 0.00 0.00 0.00 1.46 4.57 -0.78 -3.32 114.58 116.51 2fb0 h GLU 80 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2fb0 h GLU 80 Cb 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2fb0 h GLU 80 CO 0.02 0.83 -1.36 1.28 -1.18 0.00 0.00 179.01 178.60 2fb0 n LEU 81 N -3.43 0.62 -3.88 1.64 4.77 -0.76 -5.05 117.00 110.91 2fb0 n LEU 81 Ca 0.00 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2fb0 n LEU 81 Cb 0.83 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.91 2fb0 n LEU 81 CO 0.45 -0.06 0.43 0.00 -1.33 0.00 0.00 177.39 176.87 2fb0 s ALA 82 N -3.29 -0.69 0.52 -1.18 0.00 0.71 -4.65 121.76 113.18 2fb0 s ALA 82 Ca -0.03 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2fb0 s ALA 82 Cb 0.10 0.83 0.03 0.00 0.00 0.00 0.00 23.12 24.08 2fb0 s ALA 82 CO 0.82 -0.97 0.38 -1.21 0.00 0.00 0.00 175.76 174.79 2fb0 s GLU 83 N -3.13 2.28 -0.30 0.00 0.41 -0.41 -4.37 118.70 113.18 2fb0 s GLU 83 Ca 0.16 -1.96 -0.19 0.00 -0.41 0.00 0.00 54.97 52.57 2fb0 s GLU 83 Cb -0.04 -2.11 0.18 0.00 -1.78 0.00 0.00 34.13 30.38 2fb0 s GLU 83 CO 0.11 -0.54 1.26 0.21 -0.49 0.00 0.00 175.26 175.81 2fb0 s LYS 85 N -4.24 0.04 -0.14 1.61 2.20 0.34 -0.99 119.74 118.56 2fb0 s LYS 85 Ca 0.36 0.08 -0.15 0.00 -0.36 0.00 0.00 55.97 55.90 2fb0 s LYS 85 Cb -0.02 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 2fb0 s LYS 85 CO 0.22 -0.02 0.34 -1.17 -0.36 0.00 0.00 175.35 174.36 2fb0 s LEU 86 N 2.48 4.26 -0.06 5.43 0.20 -1.26 -0.94 118.68 128.80 2fb0 s LEU 86 Ca -0.04 0.61 0.05 0.00 0.69 0.00 0.00 54.13 55.44 2fb0 s LEU 86 Cb -0.04 -2.46 -0.01 0.00 -0.43 0.00 0.00 46.19 43.25 2fb0 s LEU 86 CO -0.12 0.09 -0.22 -1.61 -0.29 0.00 0.00 176.35 174.20 2fb0 s GLU 87 N 0.41 2.34 -0.05 1.98 2.02 -0.18 -5.01 118.70 120.22 2fb0 s GLU 87 Ca 0.19 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.44 2fb0 s GLU 87 Cb -0.14 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 2fb0 s GLU 87 CO 0.06 0.31 -0.24 0.21 0.02 0.00 0.00 175.26 175.62 2fb0 s LYS 88 N -0.04 2.46 0.02 1.61 2.20 -1.26 -1.00 119.74 123.73 2fb0 s LYS 88 Ca -0.05 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.68 2fb0 s LYS 88 Cb -0.13 -2.17 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 2fb0 s LYS 88 CO 0.04 0.45 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.37 2fb0 s PHE 89 N -0.32 0.39 -0.06 4.03 0.40 0.18 -5.01 117.98 117.60 2fb0 s PHE 89 Ca 0.01 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.90 2fb0 s PHE 89 Cb -0.13 -0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 2fb0 s PHE 89 CO 0.02 -0.11 0.12 -1.21 0.70 0.00 0.00 175.22 174.75 2fb0 s GLU 90 N -1.17 3.31 0.00 0.44 2.02 -1.26 -0.43 118.70 121.61 2fb0 s GLU 90 Ca -0.10 -0.29 0.13 0.00 0.02 0.00 0.00 54.97 54.73 2fb0 s GLU 90 Cb -0.08 -3.05 0.76 0.00 0.10 0.00 0.00 34.13 31.86 2fb0 s GLU 90 CO -0.00 0.71 1.19 1.19 0.02 0.00 0.00 175.26 178.37