#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8r s THR 2 N 0.00 1.93 -0.25 3.34 2.01 -1.22 -4.89 115.64 116.55 1o8r s THR 2 Ca 0.00 -1.33 -0.21 0.00 0.31 0.00 0.00 61.69 60.45 1o8r s THR 2 Cb 0.00 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1o8r s THR 2 CO 0.00 0.27 0.68 -0.69 -0.69 0.00 0.00 174.62 174.19 1o8r s VAL 3 N -0.83 4.94 -0.04 3.82 1.01 -0.40 -1.94 120.40 126.97 1o8r s VAL 3 Ca 0.10 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.37 1o8r s VAL 3 Cb -0.09 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1o8r s VAL 3 CO 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 175.10 174.95 1o8r s GLN 4 N 2.60 2.40 -0.07 2.72 -2.07 -0.70 0.18 119.66 124.72 1o8r s GLN 4 Ca 0.28 -0.76 0.13 0.00 -1.82 0.00 0.00 55.36 53.20 1o8r s GLN 4 Cb -0.15 -2.30 0.41 0.00 -1.09 0.00 0.00 33.01 29.87 1o8r s GLN 4 CO 0.08 0.61 1.34 -0.40 -1.32 0.00 0.00 175.29 175.60 1o8r n ASP 5 N 2.27 3.38 0.00 12.60 5.68 -1.22 -4.81 116.55 134.45 1o8r n ASP 5 Ca -0.17 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.72 1o8r n ASP 5 Cb 0.52 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o8r n GLY 6 N 0.17 -0.84 0.11 6.12 0.00 -1.26 -4.94 105.19 104.55 1o8r n GLY 6 Ca 0.16 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.46 1o8r n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o8r n ASN 7 N 0.00 0.34 -4.34 1.61 3.02 -1.26 -4.80 115.26 109.82 1o8r n ASN 7 Ca 0.00 -1.43 -0.25 0.00 -0.03 0.00 0.00 54.58 52.86 1o8r n ASN 7 Cb 0.00 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.03 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1o8r s PHE 8 N -1.96 2.02 -0.14 3.10 0.40 -1.26 -5.13 117.98 115.01 1o8r s PHE 8 Ca 0.31 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1o8r s PHE 8 Cb 0.15 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 1o8r s PHE 8 CO 0.24 0.31 0.05 0.45 0.70 0.00 0.00 175.22 176.98 1o8r s SER 9 N -2.20 5.62 -0.07 1.36 0.15 -1.26 -3.44 113.70 113.86 1o8r s SER 9 Ca 0.12 0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.99 1o8r s SER 9 Cb -0.09 -1.83 -0.01 0.00 -1.71 0.00 0.00 66.02 62.39 1o8r s SER 9 CO 0.06 0.28 -0.23 -0.36 1.20 0.00 0.00 173.24 174.20 1o8r s PHE 10 N -0.30 2.28 0.88 3.44 0.08 0.47 -4.91 117.98 119.92 1o8r s PHE 10 Ca 0.08 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.26 1o8r s PHE 10 Cb -0.12 -1.51 0.12 0.00 -0.57 0.00 0.00 43.02 40.93 1o8r s PHE 10 CO 0.02 -0.26 1.11 -1.12 -0.10 0.00 0.00 175.22 174.86 1o8r s SER 11 N 0.05 3.75 0.05 1.36 0.01 -1.26 -1.28 113.70 116.38 1o8r s SER 11 Ca -0.08 1.20 0.23 0.00 1.31 0.00 0.00 55.95 58.61 1o8r s SER 11 Cb -0.15 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 1o8r s SER 11 CO 0.05 -2.43 0.92 0.18 0.41 0.00 0.00 173.24 172.37 1o8r n LEU 12 N -3.71 0.55 0.03 2.44 4.32 -1.26 -4.32 117.00 115.05 1o8r n LEU 12 Ca 0.07 -0.01 -0.01 0.00 -0.02 0.00 0.00 56.01 56.04 1o8r n LEU 12 Cb 0.57 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 42.30 1o8r n LEU 12 CO 0.57 0.02 0.36 -0.33 -1.22 0.00 0.00 177.39 176.79 1o8r h GLU 13 N 0.00 -0.07 -0.95 3.23 5.08 -1.93 -1.06 114.58 118.87 1o8r h GLU 13 Ca 0.00 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1o8r h GLU 13 Cb 0.80 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.90 1o8r h GLU 13 CO 0.00 -0.05 -0.35 0.77 -1.00 0.00 0.00 179.01 178.38 1o8r h SER 14 N -0.10 -1.27 -0.57 1.42 0.02 -1.95 0.68 113.55 111.77 1o8r h SER 14 Ca -0.01 0.30 0.05 0.00 -0.84 0.00 0.00 61.79 61.29 1o8r h SER 14 Cb 0.06 0.70 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 1o8r h SER 14 CO 0.01 -0.30 0.30 -0.37 -1.14 0.00 0.00 176.83 175.34 1o8r h VAL 15 N -0.02 0.98 0.25 2.27 -1.51 -1.75 0.98 116.25 117.45 1o8r h VAL 15 Ca 0.37 -0.20 0.01 0.00 -1.23 0.00 0.00 66.70 65.64 1o8r h VAL 15 Cb 0.62 0.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.09 1o8r h VAL 15 CO -0.96 0.11 -0.41 0.50 -1.23 0.00 0.00 177.57 175.57 1o8r h LYS 16 N 0.58 -0.70 -0.27 5.19 3.64 0.17 0.13 116.57 125.31 1o8r h LYS 16 Ca 0.25 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1o8r h LYS 16 Cb 0.13 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1o8r h LYS 16 CO -0.16 -0.47 0.00 1.63 -2.27 0.00 0.00 179.45 178.19 1o8r n LYS 17 N -5.48 1.03 -0.09 1.90 5.02 -0.13 -3.85 118.16 116.55 1o8r n LYS 17 Ca -0.09 -0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.12 1o8r n LYS 17 Cb 0.39 -1.14 0.16 0.00 -0.02 0.00 0.00 35.03 34.41 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1o8r h LEU 18 N 0.06 0.74 -0.28 -0.35 6.46 0.38 -3.09 115.31 119.24 1o8r h LEU 18 Ca 0.00 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1o8r h LEU 18 Cb 0.15 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1o8r h LEU 18 CO 0.00 0.83 0.04 0.50 -0.62 0.00 0.00 178.44 179.20 1o8r h LYS 19 N 0.70 0.14 -4.84 1.25 3.64 -1.71 -3.43 116.57 112.32 1o8r h LYS 19 Ca 0.13 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.21 1o8r h LYS 19 Cb 0.50 -0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 32.11 1o8r h LYS 19 CO 0.03 0.09 -0.72 -0.51 -2.27 0.00 0.00 179.45 176.06 1o8r s ASP 20 N -5.28 1.31 -0.19 4.20 1.01 -1.17 -4.92 116.67 111.63 1o8r s ASP 20 Ca -0.13 -0.82 -0.02 0.00 0.71 0.00 0.00 52.55 52.29 1o8r s ASP 20 Cb 0.11 0.03 -0.00 0.00 1.01 0.00 0.00 42.92 44.07 1o8r s ASP 20 CO 0.70 -0.30 -0.09 -0.76 0.21 0.00 0.00 175.17 174.92 1o8r s LEU 21 N -2.46 2.69 0.08 1.23 1.43 -1.26 -4.78 118.68 115.61 1o8r s LEU 21 Ca 0.05 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1o8r s LEU 21 Cb -0.02 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1o8r s LEU 21 CO -0.01 0.02 -0.06 -1.10 0.23 0.00 0.00 176.35 175.43 1o8r s GLN 22 N 1.22 0.76 0.23 1.70 -0.21 -1.26 -5.10 119.66 117.00 1o8r s GLN 22 Ca 0.02 -1.27 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1o8r s GLN 22 Cb -0.14 -0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.76 1o8r s GLN 22 CO -0.04 -0.04 0.00 0.39 -2.12 0.00 0.00 175.29 173.49 1o8r n GLU 23 N 0.09 -1.97 -0.34 2.91 1.02 -1.26 -4.76 120.64 116.33 1o8r n GLU 23 Ca -0.13 1.31 -0.29 0.00 -0.02 0.00 0.00 57.16 58.03 1o8r n GLU 23 Cb 0.60 -2.41 0.27 0.00 -0.02 0.00 0.00 31.44 29.88 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1o8r n PRO 24 N -3.05 -3.92 0.00 3.49 -0.01 -1.26 -4.91 135.00 125.35 1o8r n PRO 24 Ca 0.01 -1.15 0.00 0.00 -0.01 0.00 0.00 63.50 62.34 1o8r n PRO 24 Cb 0.61 -1.91 0.00 0.00 -0.01 0.00 0.00 33.50 32.19 1o8r n PRO 24 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 1o8r n GLN 25 N -4.97 0.00 -3.64 -0.52 6.02 -1.26 -4.18 117.38 108.83 1o8r n GLN 25 Ca 0.09 0.30 -0.27 0.00 -0.01 0.00 0.00 57.00 57.11 1o8r n GLN 25 Cb 0.56 -0.83 -0.11 0.00 1.02 0.00 0.00 30.24 30.88 1o8r n GLN 25 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1o8r n GLU 26 N -0.63 1.13 -1.92 -1.09 1.02 -1.26 -4.97 120.64 112.91 1o8r n GLU 26 Ca 0.00 -3.90 -0.42 0.00 -0.02 0.00 0.00 57.16 52.83 1o8r n GLU 26 Cb 0.00 -1.99 -0.02 0.00 -0.02 0.00 0.00 31.44 29.41 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 27 N -0.86 4.21 -0.12 3.49 0.05 -1.26 -4.02 135.00 136.49 1o8r s PRO 27 Ca 0.29 2.40 -0.08 0.00 0.05 0.00 0.00 61.00 63.66 1o8r s PRO 27 Cb 0.01 -3.09 0.01 0.00 0.05 0.00 0.00 34.50 31.48 1o8r s PRO 27 CO -0.17 -0.53 0.15 -2.13 0.05 0.00 0.00 177.00 174.37 1o8r n ARG 28 N 2.69 -0.86 -1.65 4.56 3.00 -1.26 -4.58 116.66 118.55 1o8r n ARG 28 Ca 0.09 1.06 -0.60 0.00 -0.00 0.00 0.00 57.85 58.40 1o8r n ARG 28 Cb 0.39 -1.58 -0.08 0.00 0.00 0.00 0.00 32.46 31.19 1o8r n ARG 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1o8r n VAL 29 N 0.92 0.08 -2.70 5.15 3.14 -1.26 -4.83 118.33 118.83 1o8r n VAL 29 Ca -0.02 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.92 1o8r n VAL 29 Cb 0.50 -0.63 -0.03 0.00 -1.06 0.00 0.00 33.84 32.62 1o8r n VAL 29 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1o8r s GLY 30 N 2.02 1.28 0.52 7.55 0.00 -1.26 -4.88 107.32 112.55 1o8r s GLY 30 Ca 0.96 -0.95 0.18 0.00 0.00 0.00 0.00 44.72 44.92 1o8r s GLY 30 CO 0.66 2.29 2.13 0.50 0.00 0.00 0.00 173.10 178.67 1o8r h LYS 31 N 9.39 0.00 -5.82 2.90 1.57 -2.01 -3.41 116.57 119.20 1o8r h LYS 31 Ca -0.25 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.86 1o8r h LYS 31 Cb 1.06 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.15 1o8r h LYS 31 CO 1.13 0.05 -0.73 -0.51 -0.57 0.00 0.00 179.45 178.82 1o8r s LEU 32 N -8.67 2.94 -0.05 2.94 1.43 -1.26 -5.11 118.68 110.90 1o8r s LEU 32 Ca -0.05 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1o8r s LEU 32 Cb 0.16 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 1o8r s LEU 32 CO 0.65 0.27 -0.22 -0.13 0.23 0.00 0.00 176.35 177.16 1o8r s ARG 33 N -0.27 2.18 0.19 1.70 0.52 -1.26 -5.00 118.95 117.02 1o8r s ARG 33 Ca 0.03 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1o8r s ARG 33 Cb -0.13 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1o8r s ARG 33 CO 0.03 0.34 0.00 -1.71 0.02 0.00 0.00 175.30 173.97 1o8r n ASN 34 N 2.98 -1.64 -3.56 0.23 2.85 -1.25 -4.53 115.26 110.35 1o8r n ASN 34 Ca -0.17 0.37 -0.41 0.00 -0.11 0.00 0.00 54.58 54.25 1o8r n ASN 34 Cb 0.52 1.80 -0.11 0.00 1.24 0.00 0.00 39.78 43.23 1o8r n ASN 34 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1o8r n PHE 35 N -2.90 0.02 -1.91 1.20 -0.00 -1.26 -4.36 117.46 108.24 1o8r n PHE 35 Ca 0.00 -0.46 -0.30 0.00 -0.00 0.00 0.00 57.45 56.69 1o8r n PHE 35 Cb 0.00 -0.76 0.03 0.00 -0.00 0.00 0.00 39.48 38.75 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1o8r s ALA 36 N 6.92 2.99 -1.65 3.13 0.00 -1.26 -4.90 121.76 126.98 1o8r s ALA 36 Ca 0.64 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.41 1o8r s ALA 36 Cb 0.14 -3.02 0.43 0.00 0.00 0.00 0.00 23.12 20.66 1o8r s ALA 36 CO 0.32 -0.97 1.05 -0.35 0.00 0.00 0.00 175.76 175.81 1o8r n PRO 37 N -2.90 0.16 -1.08 0.00 -0.05 -1.26 -4.93 135.00 124.94 1o8r n PRO 37 Ca 0.06 0.13 0.00 0.00 -0.05 0.00 0.00 63.50 63.65 1o8r n PRO 37 Cb 0.56 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.51 1o8r n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1o8r n ILE 38 N -1.18 -5.90 -0.33 0.52 5.41 -1.26 -4.99 119.36 111.63 1o8r n ILE 38 Ca 0.05 1.43 -0.25 0.00 1.00 0.00 0.00 62.75 64.97 1o8r n ILE 38 Cb 0.05 -3.11 0.24 0.00 -0.71 0.00 0.00 39.64 36.10 1o8r n ILE 38 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1o8r n PRO 39 N 0.56 -4.14 0.00 0.38 -0.05 -1.26 -4.58 135.00 125.91 1o8r n PRO 39 Ca 0.00 -1.27 0.00 0.00 -0.05 0.00 0.00 63.50 62.18 1o8r n PRO 39 Cb 0.00 -1.55 0.00 0.00 -0.05 0.00 0.00 33.50 31.90 1o8r n PRO 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1o8r n GLY 40 N -4.62 1.10 2.32 0.55 0.00 -1.26 -5.02 105.19 98.25 1o8r n GLY 40 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1o8r n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1o8r n GLU 41 N -1.71 1.43 -1.84 1.61 0.28 -1.26 -5.10 120.64 114.05 1o8r n GLU 41 Ca 0.00 -3.75 -0.41 0.00 -0.16 0.00 0.00 57.16 52.84 1o8r n GLU 41 Cb 0.00 -1.66 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 1o8r s PRO 42 N -1.98 4.16 0.00 3.44 0.02 -1.26 -4.90 135.00 134.48 1o8r s PRO 42 Ca 0.39 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1o8r s PRO 42 Cb 0.22 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1o8r s PRO 42 CO -0.08 -0.57 0.00 1.55 -0.33 0.00 0.00 177.00 177.56 1o8r n VAL 43 N 2.23 0.00 -3.17 3.83 3.14 -1.26 -5.08 118.33 118.01 1o8r n VAL 43 Ca 0.08 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.23 1o8r n VAL 43 Cb 0.38 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.11 1o8r n VAL 43 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1o8r n VAL 44 N 0.00 0.62 -0.72 1.55 3.14 -1.26 -4.29 118.33 117.37 1o8r n VAL 44 Ca 0.00 -4.70 -0.31 0.00 -2.96 0.00 0.00 64.34 56.37 1o8r n VAL 44 Cb 0.00 -1.20 0.16 0.00 -1.06 0.00 0.00 33.84 31.74 1o8r n VAL 44 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1o8r n PRO 45 N 0.58 -0.39 -0.34 1.45 -0.01 -1.26 -4.67 135.00 130.35 1o8r n PRO 45 Ca 0.26 -0.05 0.27 0.00 -0.01 0.00 0.00 63.50 63.97 1o8r n PRO 45 Cb 0.54 -2.35 0.57 0.00 -0.01 0.00 0.00 33.50 32.25 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 1o8r h ILE 46 N -1.78 0.44 -0.02 4.25 2.04 -2.00 1.90 117.51 122.33 1o8r h ILE 46 Ca -0.43 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1o8r h ILE 46 Cb 1.27 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1o8r h ILE 46 CO 0.41 0.05 0.00 0.18 0.00 0.00 0.00 178.15 178.79 1o8r n LEU 47 N -4.56 0.95 -1.90 1.44 7.99 -1.26 -4.92 117.00 114.73 1o8r n LEU 47 Ca 0.27 -0.33 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 1o8r n LEU 47 Cb 1.03 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 44.33 1o8r n LEU 47 CO 0.27 0.16 -0.48 0.00 -1.51 0.00 0.00 177.39 175.83 1o8r h SER 49 N 2.93 -1.00 -3.52 0.00 0.02 -1.81 -3.40 113.55 106.78 1o8r h SER 49 Ca 0.00 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.41 1o8r h SER 49 Cb 0.00 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 1o8r h SER 49 CO 0.00 -0.68 0.88 0.21 -1.14 0.00 0.00 176.83 176.10 1o8r s ASN 50 N -4.18 6.77 0.00 3.07 3.04 -1.26 -4.86 114.94 117.52 1o8r s ASN 50 Ca -0.18 0.74 0.02 0.00 0.04 0.00 0.00 52.86 53.48 1o8r s ASN 50 Cb 0.02 -2.54 0.10 0.00 -1.54 0.00 0.00 41.25 37.29 1o8r s ASN 50 CO 0.57 -1.07 0.96 -2.65 -3.04 0.00 0.00 177.10 171.87 1o8r n PRO 51 N 7.36 0.02 -2.64 0.43 -0.02 -1.26 -1.99 135.00 136.90 1o8r n PRO 51 Ca 0.12 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 1o8r n PRO 51 Cb 0.48 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.50 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1o8r n ASN 52 N -1.38 2.39 -4.21 2.55 3.02 -1.26 -5.07 115.26 111.30 1o8r n ASN 52 Ca 0.01 -2.47 -0.30 0.00 -0.03 0.00 0.00 54.58 51.79 1o8r n ASN 52 Cb 0.02 -0.45 0.18 0.00 -0.61 0.00 0.00 39.78 38.92 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1o8r s PHE 53 N -3.73 1.73 -0.46 3.10 -0.71 -0.84 -4.79 117.98 112.27 1o8r s PHE 53 Ca 0.33 0.36 -0.26 0.00 -1.04 0.00 0.00 56.93 56.32 1o8r s PHE 53 Cb 0.35 -4.06 -0.28 0.00 -1.21 0.00 0.00 43.02 37.82 1o8r s PHE 53 CO -0.02 -2.56 1.73 -2.30 -1.34 0.00 0.00 175.22 170.73 1o8r n PRO 54 N -3.72 0.04 -0.65 1.99 -0.01 -1.26 -4.65 135.00 126.73 1o8r n PRO 54 Ca 0.14 -1.21 0.50 0.00 -0.01 0.00 0.00 63.50 62.93 1o8r n PRO 54 Cb 0.60 -2.98 0.77 0.00 -0.01 0.00 0.00 33.50 31.88 1o8r n PRO 54 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1o8r n GLU 55 N 7.67 0.00 0.29 -0.52 2.13 -1.26 0.25 120.64 129.20 1o8r n GLU 55 Ca 0.40 1.05 0.15 0.00 0.66 0.00 0.00 57.16 59.42 1o8r n GLU 55 Cb 0.44 -2.44 0.72 0.00 0.27 0.00 0.00 31.44 30.43 1o8r n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1o8r h GLU 56 N 0.00 0.00 -0.27 5.31 5.08 -1.96 2.02 114.58 124.76 1o8r h GLU 56 Ca 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.24 1o8r h GLU 56 Cb 3.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.87 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1o8r n LEU 57 N -2.98 1.44 -0.36 1.33 4.77 0.69 -4.39 117.00 117.50 1o8r n LEU 57 Ca 0.00 -0.72 0.04 0.00 -0.03 0.00 0.00 56.01 55.30 1o8r n LEU 57 Cb 0.50 -0.18 0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1o8r n LEU 57 CO 0.14 0.36 0.64 1.17 -1.33 0.00 0.00 177.39 178.37 1o8r n LYS 58 N 0.28 -0.13 -0.28 3.23 4.81 0.68 0.12 118.16 126.88 1o8r n LYS 58 Ca 0.09 1.55 0.03 0.00 -0.87 0.00 0.00 58.31 59.11 1o8r n LYS 58 Cb 0.23 -2.31 0.16 0.00 0.02 0.00 0.00 35.03 33.14 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1o8r h PRO 59 N 0.00 0.68 -0.75 1.64 0.10 -1.82 -1.11 132.00 130.74 1o8r h PRO 59 Ca 0.44 -0.04 0.04 0.00 0.10 0.00 0.00 66.00 66.54 1o8r h PRO 59 Cb 0.69 -0.15 -0.05 0.00 0.10 0.00 0.00 31.00 31.59 1o8r h PRO 59 CO -1.01 0.45 0.47 -0.07 0.10 0.00 0.00 178.00 177.93 1o8r h LEU 60 N 0.70 0.76 -1.95 2.35 4.07 0.59 -0.18 115.31 121.65 1o8r h LEU 60 Ca 0.39 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.33 1o8r h LEU 60 Cb 0.41 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1o8r h LEU 60 CO -0.27 0.51 -0.10 0.00 -1.08 0.00 0.00 178.44 177.50 1o8r n LYS 62 N -4.05 0.94 -4.69 0.00 5.02 -0.19 -4.50 118.16 110.69 1o8r n LYS 62 Ca -0.02 -0.56 -0.32 0.00 -2.02 0.00 0.00 58.31 55.39 1o8r n LYS 62 Cb 0.19 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1o8r s GLU 63 N -2.44 2.41 0.27 1.97 -1.05 -0.49 -4.99 118.70 114.38 1o8r s GLU 63 Ca 0.26 -0.77 0.21 0.00 -0.15 0.00 0.00 54.97 54.51 1o8r s GLU 63 Cb 0.19 -2.37 1.02 0.00 -0.44 0.00 0.00 34.13 32.53 1o8r s GLU 63 CO 0.50 0.60 1.63 -0.35 0.95 0.00 0.00 175.26 178.59 1o8r n PRO 64 N 1.88 0.14 0.16 -4.83 -0.05 -1.26 -1.69 135.00 129.35 1o8r n PRO 64 Ca -0.16 0.55 0.13 0.00 -0.05 0.00 0.00 63.50 63.96 1o8r n PRO 64 Cb 0.52 -1.89 0.30 0.00 -0.05 0.00 0.00 33.50 32.38 1o8r n PRO 64 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 1o8r h ASN 65 N 0.00 0.00 -0.94 3.54 2.35 -1.94 -3.28 115.58 115.31 1o8r h ASN 65 Ca 0.00 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.94 1o8r h ASN 65 Cb 0.12 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.41 1o8r h ASN 65 CO 0.00 0.00 0.61 0.00 -1.65 0.00 0.00 177.43 176.39 1o8r h ALA 66 N 2.26 1.97 -0.69 -0.83 0.00 -1.41 0.38 119.26 120.94 1o8r h ALA 66 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1o8r h ALA 66 Cb 0.86 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1o8r h ALA 66 CO 0.00 -0.28 0.36 1.96 0.00 0.00 0.00 179.25 181.29 1o8r h GLN 67 N 0.58 0.62 0.17 0.00 4.20 -1.79 1.06 115.11 119.94 1o8r h GLN 67 Ca 0.51 -0.04 -0.30 0.00 0.06 0.00 0.00 58.65 58.88 1o8r h GLN 67 Cb 1.02 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.67 1o8r h GLN 67 CO -0.25 0.41 -1.34 1.49 -0.67 0.00 0.00 178.83 178.46 1o8r h GLU 68 N 0.63 0.36 0.05 1.46 4.81 -1.09 -3.31 114.58 117.49 1o8r h GLU 68 Ca 0.32 -0.61 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1o8r h GLU 68 Cb 0.28 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1o8r h GLU 68 CO -0.23 1.29 -0.02 0.82 -0.73 0.00 0.00 179.01 180.14 1o8r h ILE 69 N 0.10 1.18 -0.55 2.32 2.04 0.26 -3.00 117.51 119.86 1o8r h ILE 69 Ca -0.18 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 64.96 1o8r h ILE 69 Cb 2.04 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 39.74 1o8r h ILE 69 CO 0.22 0.19 -0.41 0.25 0.00 0.00 0.00 178.15 178.41 1o8r h LEU 70 N -0.40 -1.45 -0.49 1.44 7.12 0.10 0.33 115.31 121.97 1o8r h LEU 70 Ca -0.01 0.21 0.10 0.00 0.13 0.00 0.00 57.88 58.31 1o8r h LEU 70 Cb 0.36 0.62 -0.10 0.00 -0.53 0.00 0.00 40.66 41.02 1o8r h LEU 70 CO 0.01 -0.21 -0.25 1.56 -0.13 0.00 0.00 178.44 179.43 1o8r h GLN 71 N -0.10 -0.13 0.12 1.25 4.20 -1.65 -1.31 115.11 117.49 1o8r h GLN 71 Ca 0.09 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1o8r h GLN 71 Cb 0.33 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1o8r h GLN 71 CO -0.57 -0.09 -0.26 0.00 -0.67 0.00 0.00 178.83 177.24 1o8r h ARG 72 N -0.14 -0.46 -0.52 1.46 3.08 -0.81 -1.78 114.38 115.22 1o8r h ARG 72 Ca 0.22 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.41 1o8r h ARG 72 Cb 0.49 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.54 1o8r h ARG 72 CO -0.58 -0.30 -0.25 -0.07 -1.07 0.00 0.00 179.97 177.70 1o8r h LEU 73 N -0.47 -0.88 -0.35 3.04 -0.00 0.47 0.13 115.31 117.26 1o8r h LEU 73 Ca 0.03 0.19 0.07 0.00 -0.00 0.00 0.00 57.88 58.18 1o8r h LEU 73 Cb 0.50 0.46 -0.07 0.00 -0.00 0.00 0.00 40.66 41.56 1o8r h LEU 73 CO -0.15 -0.27 -0.10 -0.33 -0.00 0.00 0.00 178.44 177.59 1o8r h GLU 74 N -0.13 -0.01 0.03 1.13 5.08 -0.82 0.15 114.58 120.00 1o8r h GLU 74 Ca 0.23 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1o8r h GLU 74 Cb 0.50 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1o8r h GLU 74 CO -0.60 -0.01 -0.29 1.49 -1.00 0.00 0.00 179.01 178.60 1o8r h GLU 75 N -0.01 -0.44 -0.72 2.33 4.81 -0.17 0.16 114.58 120.53 1o8r h GLU 75 Ca 0.17 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.53 1o8r h GLU 75 Cb 0.27 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1o8r h GLU 75 CO -0.37 -0.29 0.48 0.82 -0.73 0.00 0.00 179.01 178.91 1o8r h ILE 76 N -0.45 0.91 -0.44 2.32 1.08 -0.53 0.23 117.51 120.63 1o8r h ILE 76 Ca 0.06 -0.20 0.06 0.00 -0.39 0.00 0.00 64.86 64.38 1o8r h ILE 76 Cb 0.53 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 1o8r h ILE 76 CO -0.23 0.11 0.30 0.00 -0.69 0.00 0.00 178.15 177.63 1o8r h ALA 77 N 1.64 1.97 -0.71 1.87 0.00 0.13 -1.17 119.26 122.99 1o8r h ALA 77 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1o8r h ALA 77 Cb 0.52 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1o8r h ALA 77 CO -0.12 -0.06 0.46 0.93 0.00 0.00 0.00 179.25 180.47 1o8r h GLU 78 N 0.34 0.95 -3.46 0.00 5.08 0.15 -3.37 114.58 114.27 1o8r h GLU 78 Ca 0.19 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1o8r h GLU 78 Cb 0.33 -0.21 -0.18 0.00 0.50 0.00 0.00 28.75 29.19 1o8r h GLU 78 CO -0.04 0.64 -0.38 -0.51 -1.00 0.00 0.00 179.01 177.72 1o8r s ASP 79 N -5.87 -0.01 0.08 1.42 1.01 -0.44 -3.75 116.67 109.11 1o8r s ASP 79 Ca -0.13 -0.27 -0.26 0.00 0.71 0.00 0.00 52.55 52.60 1o8r s ASP 79 Cb 0.14 0.29 -0.16 0.00 1.01 0.00 0.00 42.92 44.20 1o8r s ASP 79 CO 0.78 -0.53 1.70 -0.65 0.21 0.00 0.00 175.17 176.68 1o8r h PRO 80 N 3.58 -0.26 0.00 8.23 0.10 -1.85 -3.42 132.00 138.38 1o8r h PRO 80 Ca -0.32 0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.80 1o8r h PRO 80 Cb 1.19 0.06 0.00 0.00 0.10 0.00 0.00 31.00 32.35 1o8r h PRO 80 CO 0.46 -0.17 0.00 0.41 0.10 0.00 0.00 178.00 178.80 1o8r n GLY 81 N -1.19 0.37 0.22 -0.55 0.00 -1.26 -3.37 105.19 99.41 1o8r n GLY 81 Ca -0.09 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.08 1o8r n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1o8r h THR 82 N 0.00 0.00 -0.00 2.61 1.35 -1.97 -3.32 112.91 111.58 1o8r h THR 82 Ca 0.00 -0.97 0.03 0.00 -0.55 0.00 0.00 66.41 64.92 1o8r h THR 82 Cb 0.00 1.97 -0.04 0.00 -1.73 0.00 0.00 68.15 68.34 1o8r h THR 82 CO 0.00 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.03 1o8r h GLU 84 N -0.38 0.04 -0.62 0.00 4.81 -1.73 -0.45 114.58 116.26 1o8r h GLU 84 Ca 0.06 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1o8r h GLU 84 Cb 0.46 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1o8r h GLU 84 CO -0.22 0.03 0.00 0.44 -0.73 0.00 0.00 179.01 178.53 1o8r n ILE 85 N -4.50 1.19 -1.34 2.32 -5.35 -0.51 -4.90 119.36 106.27 1o8r n ILE 85 Ca 0.01 -0.89 -0.12 0.00 -0.27 0.00 0.00 62.75 61.48 1o8r n ILE 85 Cb 0.21 0.20 -0.05 0.00 -1.74 0.00 0.00 39.64 38.26 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r n ALA 87 N 0.37 2.22 -2.17 0.00 0.00 -0.70 -4.82 120.51 115.41 1o8r n ALA 87 Ca -0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1o8r n ALA 87 Cb 0.39 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 1o8r n ALA 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1o8r s TYR 88 N -2.90 0.94 -2.00 0.00 5.04 -1.25 -5.01 117.35 112.17 1o8r s TYR 88 Ca 0.15 -1.16 0.19 0.00 -2.44 0.00 0.00 57.07 53.82 1o8r s TYR 88 Cb 0.17 -0.54 1.13 0.00 0.35 0.00 0.00 41.96 43.07 1o8r s TYR 88 CO 0.46 -0.42 1.57 0.00 -1.34 0.00 0.00 175.55 175.82 1o8r n ALA 89 N -0.12 2.36 -0.16 3.97 0.00 -1.26 -3.47 120.51 121.83 1o8r n ALA 89 Ca -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 1o8r n ALA 89 Cb 0.63 -1.31 0.20 0.00 0.00 0.00 0.00 19.45 18.98 1o8r n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r h ALA 90 N 3.28 1.27 -2.84 0.00 0.00 -1.90 -3.40 119.26 115.67 1o8r h ALA 90 Ca 0.00 -0.17 -0.63 0.00 0.00 0.00 0.00 54.91 54.11 1o8r h ALA 90 Cb 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 17.79 17.39 1o8r h ALA 90 CO 0.00 0.54 -0.40 0.00 0.00 0.00 0.00 179.25 179.38 1o8r s THR 92 N 1.84 4.73 0.00 0.00 -4.23 -0.82 -4.40 115.64 112.76 1o8r s THR 92 Ca 0.10 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1o8r s THR 92 Cb -0.16 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1o8r s THR 92 CO 0.10 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1o8r n GLY 93 N -0.35 1.01 0.00 3.99 0.00 -1.26 -3.43 105.19 105.15 1o8r n GLY 93 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32