#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 1.59 -0.45 2.52 2.01 -1.22 -4.91 115.64 115.17 1o8r s THR 2 Ca 0.00 -1.44 -0.27 0.00 0.31 0.00 0.00 61.69 60.29 1o8r s THR 2 Cb 0.00 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.09 1o8r s THR 2 CO 0.00 -0.05 1.03 -0.69 -0.69 0.00 0.00 174.62 174.22 1o8r s VAL 3 N -1.12 4.36 -0.11 3.82 1.01 0.03 -1.99 120.40 126.41 1o8r s VAL 3 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1o8r s VAL 3 Cb -0.10 -4.50 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 1o8r s VAL 3 CO 0.03 -0.87 -0.11 -1.58 0.00 0.00 0.00 175.10 172.58 1o8r s GLN 4 N 4.04 3.16 0.00 2.72 0.74 -0.80 0.28 119.66 129.81 1o8r s GLN 4 Ca 0.43 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 55.19 1o8r s GLN 4 Cb -0.09 -2.62 0.00 0.00 1.10 0.00 0.00 33.01 31.40 1o8r s GLN 4 CO 0.27 0.37 0.00 -3.47 -0.55 0.00 0.00 175.29 171.91 1o8r n ASP 5 N 3.09 0.00 0.00 6.67 2.03 -1.17 -4.78 116.55 122.39 1o8r n ASP 5 Ca -0.18 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1o8r n ASP 5 Cb 0.53 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o8r n GLY 6 N 1.75 0.59 0.00 0.27 0.00 -1.26 -4.89 105.19 101.66 1o8r n GLY 6 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -4.29 1.61 5.03 -1.26 -4.75 115.26 111.61 1o8r n ASN 7 Ca 0.00 -1.41 -0.32 0.00 0.87 0.00 0.00 54.58 53.72 1o8r n ASN 7 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 38.60 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1o8r s PHE 8 N -2.00 2.51 0.03 3.10 0.08 -1.26 -5.11 117.98 115.33 1o8r s PHE 8 Ca 0.27 -0.72 -0.22 0.00 0.12 0.00 0.00 56.93 56.38 1o8r s PHE 8 Cb 0.12 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1o8r s PHE 8 CO 0.21 -0.22 0.66 0.45 -0.10 0.00 0.00 175.22 176.23 1o8r s SER 9 N -0.09 7.09 -0.16 1.36 0.15 -1.26 -3.06 113.70 117.73 1o8r s SER 9 Ca -0.05 1.30 -0.00 0.00 0.70 0.00 0.00 55.95 57.90 1o8r s SER 9 Cb -0.14 -2.41 -0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1o8r s SER 9 CO 0.04 0.09 -0.14 -0.36 1.20 0.00 0.00 173.24 174.08 1o8r s PHE 10 N -0.29 2.80 0.95 3.44 0.08 0.81 -4.89 117.98 120.88 1o8r s PHE 10 Ca 0.34 -0.96 -0.14 0.00 0.12 0.00 0.00 56.93 56.29 1o8r s PHE 10 Cb -0.19 -1.90 0.16 0.00 -0.57 0.00 0.00 43.02 40.52 1o8r s PHE 10 CO 0.20 -0.43 1.19 0.45 -0.10 0.00 0.00 175.22 176.53 1o8r s SER 11 N 0.78 3.22 0.00 1.36 0.15 -1.26 -0.79 113.70 117.16 1o8r s SER 11 Ca -0.05 0.71 0.20 0.00 0.70 0.00 0.00 55.95 57.50 1o8r s SER 11 Cb -0.15 -1.08 0.35 0.00 -1.71 0.00 0.00 66.02 63.42 1o8r s SER 11 CO 0.01 -2.70 1.29 0.18 1.20 0.00 0.00 173.24 173.21 1o8r n LEU 12 N -3.83 3.15 0.00 3.45 4.32 -1.26 -4.53 117.00 118.30 1o8r n LEU 12 Ca 0.10 -1.48 0.00 0.00 -0.02 0.00 0.00 56.01 54.61 1o8r n LEU 12 Cb 0.60 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1o8r n LEU 12 CO 0.53 0.68 0.17 1.21 -1.22 0.00 0.00 177.39 178.76 1o8r n GLU 13 N 1.23 0.00 -0.25 3.23 2.13 -1.26 -1.71 120.64 124.00 1o8r n GLU 13 Ca 0.16 0.35 0.06 0.00 0.66 0.00 0.00 57.16 58.39 1o8r n GLU 13 Cb 0.53 -1.05 0.19 0.00 0.27 0.00 0.00 31.44 31.38 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1o8r h SER 14 N 0.00 0.01 0.01 4.31 0.02 -1.93 0.05 113.55 116.02 1o8r h SER 14 Ca 0.00 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1o8r h SER 14 Cb 0.00 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1o8r h SER 14 CO 0.00 -0.04 -0.07 0.58 -1.14 0.00 0.00 176.83 176.16 1o8r h VAL 15 N 0.27 0.83 0.05 2.27 2.07 -1.80 1.74 116.25 121.68 1o8r h VAL 15 Ca 0.42 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.97 1o8r h VAL 15 Cb 0.72 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1o8r h VAL 15 CO -0.52 0.00 -0.27 0.50 0.02 0.00 0.00 177.57 177.30 1o8r h LYS 16 N -0.12 -0.43 -0.45 1.57 3.64 -0.29 0.30 116.57 120.80 1o8r h LYS 16 Ca 0.02 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1o8r h LYS 16 Cb 0.15 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1o8r h LYS 16 CO -0.06 -0.28 0.00 1.63 -2.27 0.00 0.00 179.45 178.46 1o8r n LYS 17 N -5.38 1.06 -0.33 1.90 4.76 -0.14 -3.94 118.16 116.10 1o8r n LYS 17 Ca -0.06 -0.07 -0.04 0.00 -2.87 0.00 0.00 58.31 55.28 1o8r n LYS 17 Cb 0.29 -1.24 0.08 0.00 -1.84 0.00 0.00 35.03 32.33 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1o8r h LEU 18 N 0.10 1.10 -0.50 -0.35 5.85 0.66 -2.63 115.31 119.53 1o8r h LEU 18 Ca 0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1o8r h LEU 18 Cb 0.25 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1o8r h LEU 18 CO 0.01 0.87 0.30 0.11 -0.34 0.00 0.00 178.44 179.39 1o8r h LYS 19 N 1.23 0.69 -4.85 1.25 1.57 -1.73 -3.39 116.57 111.34 1o8r h LYS 19 Ca 0.31 -0.07 -0.67 0.00 -1.87 0.00 0.00 60.65 58.35 1o8r h LYS 19 Cb 0.01 -0.14 -0.29 0.00 0.08 0.00 0.00 32.23 31.89 1o8r h LYS 19 CO -0.05 0.51 -0.68 0.34 -0.57 0.00 0.00 179.45 179.00 1o8r s ASP 20 N -5.75 4.77 -0.47 0.86 2.15 -0.99 -5.07 116.67 112.17 1o8r s ASP 20 Ca -0.13 -0.77 -0.18 0.00 0.43 0.00 0.00 52.55 51.90 1o8r s ASP 20 Cb 0.12 -1.79 0.05 0.00 -0.30 0.00 0.00 42.92 41.00 1o8r s ASP 20 CO 0.75 -0.16 0.52 -0.22 -0.17 0.00 0.00 175.17 175.89 1o8r s LEU 21 N 1.42 5.04 0.00 -1.34 1.98 -1.25 -4.78 118.68 119.76 1o8r s LEU 21 Ca 0.02 -0.89 0.00 0.00 -2.89 0.00 0.00 54.13 50.36 1o8r s LEU 21 Cb -0.17 -2.39 0.00 0.00 0.66 0.00 0.00 46.19 44.29 1o8r s LEU 21 CO -0.01 -0.74 0.00 1.67 -1.89 0.00 0.00 176.35 175.39 1o8r n GLN 22 N 5.80 0.00 -3.88 1.98 7.27 -1.26 -5.10 117.38 122.19 1o8r n GLN 22 Ca -0.08 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.90 1o8r n GLN 22 Cb 0.46 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.05 1o8r n GLN 22 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1o8r s GLU 23 N 0.00 1.16 0.70 3.69 1.03 -1.26 -5.15 118.70 118.87 1o8r s GLU 23 Ca 0.00 -1.05 -0.16 0.00 0.03 0.00 0.00 54.97 53.79 1o8r s GLU 23 Cb 0.00 0.41 0.02 0.00 -0.80 0.00 0.00 34.13 33.76 1o8r s GLU 23 CO 0.00 -0.44 1.25 -2.14 -1.33 0.00 0.00 175.26 172.60 1o8r s PRO 24 N -3.92 2.29 0.00 -4.83 0.01 -1.26 -5.01 135.00 122.28 1o8r s PRO 24 Ca 0.13 1.90 0.00 0.00 0.01 0.00 0.00 61.00 63.04 1o8r s PRO 24 Cb 0.02 -1.83 0.00 0.00 0.01 0.00 0.00 34.50 32.70 1o8r s PRO 24 CO -0.03 -1.76 0.00 0.94 0.01 0.00 0.00 177.00 176.17 1o8r n GLN 25 N -2.38 0.00 -3.18 5.54 -0.06 -1.26 -4.82 117.38 111.22 1o8r n GLN 25 Ca 0.15 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.91 1o8r n GLN 25 Cb 0.49 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.62 1o8r n GLN 25 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1o8r n GLU 26 N 0.00 1.90 -0.13 3.69 2.13 -1.26 -4.90 120.64 122.07 1o8r n GLU 26 Ca 0.00 -4.05 -0.00 0.00 0.66 0.00 0.00 57.16 53.77 1o8r n GLU 26 Cb 0.00 -1.87 0.27 0.00 0.27 0.00 0.00 31.44 30.11 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1o8r h PRO 27 N 3.49 0.80 -3.94 5.31 0.13 -2.03 -3.43 132.00 132.34 1o8r h PRO 27 Ca 0.12 -0.10 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 1o8r h PRO 27 Cb 0.75 -0.16 -0.20 0.00 0.13 0.00 0.00 31.00 31.52 1o8r h PRO 27 CO 0.66 0.62 -0.66 1.03 -0.23 0.00 0.00 178.00 179.42 1o8r s ARG 28 N -5.48 0.39 0.02 0.86 1.81 -1.26 -5.16 118.95 110.12 1o8r s ARG 28 Ca -0.10 -0.67 0.07 0.00 -1.72 0.00 0.00 55.73 53.32 1o8r s ARG 28 Cb 0.17 0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.79 1o8r s ARG 28 CO 0.78 -0.07 -0.21 0.08 -0.68 0.00 0.00 175.30 175.19 1o8r s VAL 29 N -1.82 1.68 0.00 3.52 1.01 -1.26 -4.85 120.40 118.68 1o8r s VAL 29 Ca -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1o8r s VAL 29 Cb -0.07 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1o8r s VAL 29 CO -0.02 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1o8r n GLY 30 N 2.17 0.67 3.82 4.51 0.00 -1.26 -5.15 105.19 109.95 1o8r n GLY 30 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1o8r n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o8r s LYS 31 N 0.00 3.02 0.16 1.61 1.02 -1.26 -5.09 119.74 119.20 1o8r s LYS 31 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 1o8r s LYS 31 Cb 0.00 -2.75 -0.07 0.00 -0.52 0.00 0.00 37.83 34.49 1o8r s LYS 31 CO 0.00 0.52 0.89 -1.17 -0.92 0.00 0.00 175.35 174.68 1o8r s LEU 32 N -2.86 4.57 0.00 3.17 2.96 -1.26 -5.06 118.68 120.21 1o8r s LEU 32 Ca 0.31 1.79 0.06 0.00 -0.22 0.00 0.00 54.13 56.06 1o8r s LEU 32 Cb -0.11 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1o8r s LEU 32 CO 0.24 0.08 -0.18 -0.13 -1.32 0.00 0.00 176.35 175.05 1o8r s ARG 33 N -0.68 1.35 0.35 1.98 0.52 -1.26 -5.13 118.95 116.09 1o8r s ARG 33 Ca 0.42 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1o8r s ARG 33 Cb -0.24 -1.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 1o8r s ARG 33 CO 0.29 0.36 0.15 0.54 0.02 0.00 0.00 175.30 176.66 1o8r s ASN 34 N -0.62 2.15 0.17 0.23 4.22 -1.19 -4.30 114.94 115.60 1o8r s ASN 34 Ca 0.06 -1.60 -0.24 0.00 -2.14 0.00 0.00 52.86 48.94 1o8r s ASN 34 Cb -0.07 0.40 0.07 0.00 1.28 0.00 0.00 41.25 42.93 1o8r s ASN 34 CO -0.00 -0.89 0.99 0.12 -2.04 0.00 0.00 177.10 175.28 1o8r s PHE 35 N -3.40 -0.05 0.62 1.54 5.36 -1.26 -4.46 117.98 116.32 1o8r s PHE 35 Ca 0.31 -0.29 -0.19 0.00 -0.96 0.00 0.00 56.93 55.80 1o8r s PHE 35 Cb 0.04 0.66 -0.02 0.00 -0.34 0.00 0.00 43.02 43.36 1o8r s PHE 35 CO 0.17 -0.87 1.31 0.00 -1.46 0.00 0.00 175.22 174.37 1o8r s ALA 36 N -2.88 2.50 0.51 11.12 0.00 -1.26 -4.71 121.76 127.05 1o8r s ALA 36 Ca 0.15 1.24 0.24 0.00 0.00 0.00 0.00 51.96 53.59 1o8r s ALA 36 Cb -0.02 -3.55 1.49 0.00 0.00 0.00 0.00 23.12 21.04 1o8r s ALA 36 CO 0.03 -1.52 2.15 -1.00 0.00 0.00 0.00 175.76 175.42 1o8r h PRO 37 N 0.80 0.00 -4.38 0.00 0.14 -1.96 -3.40 132.00 123.19 1o8r h PRO 37 Ca -0.51 0.00 -0.54 0.00 0.14 0.00 0.00 66.00 65.09 1o8r h PRO 37 Cb 1.33 0.00 -0.36 0.00 0.14 0.00 0.00 31.00 32.10 1o8r h PRO 37 CO 0.54 0.06 -0.81 0.42 0.14 0.00 0.00 178.00 178.35 1o8r s ILE 38 N -4.61 1.18 0.35 -3.56 -1.09 -1.26 -4.94 121.20 107.26 1o8r s ILE 38 Ca -0.04 -0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 57.69 1o8r s ILE 38 Cb 0.15 -1.15 -0.11 0.00 -1.58 0.00 0.00 42.46 39.77 1o8r s ILE 38 CO 0.61 0.39 1.49 -2.84 -1.23 0.00 0.00 174.94 173.35 1o8r s PRO 39 N 1.50 4.14 0.00 2.79 0.02 -1.26 -4.89 135.00 137.30 1o8r s PRO 39 Ca 0.02 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1o8r s PRO 39 Cb -0.13 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1o8r s PRO 39 CO -0.07 -0.51 0.61 0.41 -0.33 0.00 0.00 177.00 177.11 1o8r n GLY 40 N 0.92 0.71 2.56 0.52 0.00 -1.26 -5.00 105.19 103.64 1o8r n GLY 40 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1o8r n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o8r n GLU 41 N 0.00 1.72 -1.83 1.61 0.00 -1.26 -5.09 120.64 115.78 1o8r n GLU 41 Ca 0.00 -4.21 -0.38 0.00 0.00 0.00 0.00 57.16 52.57 1o8r n GLU 41 Cb 0.56 -2.04 0.04 0.00 0.00 0.00 0.00 31.44 29.99 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 1o8r s PRO 42 N -1.60 3.14 0.40 5.31 0.02 -1.26 -4.87 135.00 136.14 1o8r s PRO 42 Ca 0.33 2.16 0.05 0.00 0.02 0.00 0.00 61.00 63.56 1o8r s PRO 42 Cb 0.07 -2.22 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 1o8r s PRO 42 CO -0.11 -1.16 0.03 0.14 -0.33 0.00 0.00 177.00 175.57 1o8r s VAL 43 N -1.34 1.51 -0.76 3.83 -7.23 -1.26 -4.84 120.40 110.31 1o8r s VAL 43 Ca 0.72 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1o8r s VAL 43 Cb -0.39 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1o8r s VAL 43 CO 0.45 0.00 0.64 0.52 -0.31 0.00 0.00 175.10 176.40 1o8r n VAL 44 N -0.93 -3.65 0.09 1.32 0.31 -1.26 -4.47 118.33 109.74 1o8r n VAL 44 Ca -0.07 -0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 1o8r n VAL 44 Cb 0.67 -4.01 -0.08 0.00 -0.91 0.00 0.00 33.84 29.51 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1o8r h PRO 45 N -1.23 -0.16 0.00 5.55 0.13 -1.92 -3.40 132.00 130.97 1o8r h PRO 45 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1o8r h PRO 45 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1o8r h PRO 45 CO 0.32 -0.04 -0.91 -0.89 -0.23 0.00 0.00 178.00 176.25 1o8r n ILE 46 N -5.13 0.00 -3.06 -3.56 5.41 -1.26 -5.03 119.36 106.73 1o8r n ILE 46 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.72 1o8r n ILE 46 Cb 0.12 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1o8r s LEU 47 N -4.09 -0.17 -0.08 1.39 2.96 -1.26 -5.08 118.68 112.36 1o8r s LEU 47 Ca 0.00 0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1o8r s LEU 47 Cb 0.00 0.93 0.02 0.00 0.50 0.00 0.00 46.19 47.64 1o8r s LEU 47 CO 0.00 -0.03 0.09 0.00 -1.32 0.00 0.00 176.35 175.09 1o8r h SER 49 N 4.59 -0.39 -3.57 0.00 0.87 -1.90 -3.41 113.55 109.74 1o8r h SER 49 Ca -0.20 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.81 1o8r h SER 49 Cb 0.52 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.51 1o8r h SER 49 CO 0.01 -0.15 0.92 0.20 -0.53 0.00 0.00 176.83 177.28 1o8r s ASN 50 N -3.77 6.69 0.00 6.23 0.02 -1.26 -4.86 114.94 117.99 1o8r s ASN 50 Ca -0.07 0.66 0.06 0.00 -1.02 0.00 0.00 52.86 52.49 1o8r s ASN 50 Cb 0.01 -2.55 0.26 0.00 0.02 0.00 0.00 41.25 38.99 1o8r s ASN 50 CO 0.20 -1.17 1.15 -0.81 0.02 0.00 0.00 177.10 176.49 1o8r n PRO 51 N 7.61 0.02 -1.23 -0.60 -0.05 -1.26 -1.98 135.00 137.50 1o8r n PRO 51 Ca 0.12 0.36 0.03 0.00 -0.05 0.00 0.00 63.50 63.97 1o8r n PRO 51 Cb 0.48 -1.50 0.10 0.00 -0.05 0.00 0.00 33.50 32.53 1o8r n PRO 51 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1o8r n ASN 52 N -1.45 1.49 -3.09 3.54 5.15 -1.26 -5.03 115.26 114.61 1o8r n ASN 52 Ca 0.02 -2.84 -0.17 0.00 -0.60 0.00 0.00 54.58 50.98 1o8r n ASN 52 Cb 0.06 -0.40 0.12 0.00 -0.53 0.00 0.00 39.78 39.03 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1o8r n PHE 53 N -0.26 -3.86 -0.93 1.20 -1.74 -0.84 -4.75 117.46 106.27 1o8r n PHE 53 Ca 0.13 -0.64 -0.31 0.00 -0.56 0.00 0.00 57.45 56.07 1o8r n PHE 53 Cb 0.94 -0.61 -0.11 0.00 1.52 0.00 0.00 39.48 41.22 1o8r n PHE 53 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 1o8r n PRO 54 N -2.84 0.03 -0.62 3.97 -0.01 -1.26 -4.66 135.00 129.62 1o8r n PRO 54 Ca 0.09 -1.22 0.48 0.00 -0.01 0.00 0.00 63.50 62.85 1o8r n PRO 54 Cb 0.33 -2.98 0.76 0.00 -0.01 0.00 0.00 33.50 31.61 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 7.85 -0.01 0.10 -0.52 2.13 -1.26 0.27 120.64 129.19 1o8r n GLU 55 Ca 0.42 1.12 0.20 0.00 0.66 0.00 0.00 57.16 59.56 1o8r n GLU 55 Cb 0.44 -2.44 0.73 0.00 0.27 0.00 0.00 31.44 30.44 1o8r n GLU 55 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1o8r h GLU 56 N 0.00 0.00 -0.36 5.31 4.57 -1.98 1.53 114.58 123.65 1o8r h GLU 56 Ca 0.90 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 59.08 1o8r h GLU 56 Cb 3.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.99 1o8r h GLU 56 CO -0.16 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 178.95 1o8r n LEU 57 N -3.62 1.08 -0.36 1.64 4.77 0.76 -4.37 117.00 116.89 1o8r n LEU 57 Ca 0.07 -0.54 0.03 0.00 -0.03 0.00 0.00 56.01 55.54 1o8r n LEU 57 Cb 0.65 -0.22 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1o8r n LEU 57 CO 0.26 0.23 0.62 0.29 -1.33 0.00 0.00 177.39 177.46 1o8r n LYS 58 N -0.03 -0.14 -0.20 3.23 4.76 0.52 0.93 118.16 127.23 1o8r n LYS 58 Ca 0.05 1.52 -0.02 0.00 -2.87 0.00 0.00 58.31 56.99 1o8r n LYS 58 Cb 0.21 -2.26 0.09 0.00 -1.84 0.00 0.00 35.03 31.22 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1o8r h PRO 59 N 0.00 0.52 -0.73 1.97 0.10 -1.83 -1.48 132.00 130.56 1o8r h PRO 59 Ca 0.42 -0.03 0.11 0.00 0.10 0.00 0.00 66.00 66.59 1o8r h PRO 59 Cb 0.66 -0.12 -0.08 0.00 0.10 0.00 0.00 31.00 31.57 1o8r h PRO 59 CO -0.99 0.34 0.35 -0.07 0.10 0.00 0.00 178.00 177.73 1o8r h LEU 60 N 0.54 0.42 -1.17 2.35 -0.00 0.23 0.30 115.31 117.98 1o8r h LEU 60 Ca 0.28 0.07 -0.08 0.00 -0.00 0.00 0.00 57.88 58.15 1o8r h LEU 60 Cb 0.24 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1o8r h LEU 60 CO -0.21 0.23 -0.40 0.00 -0.00 0.00 0.00 178.44 178.05 1o8r n LYS 62 N -3.94 1.00 -4.75 0.00 5.02 0.06 -4.68 118.16 110.87 1o8r n LYS 62 Ca -0.02 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.03 1o8r n LYS 62 Cb 0.45 -1.34 -0.15 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.00 1.37 0.08 1.97 -1.05 -0.89 -4.99 118.70 113.19 1o8r s GLU 63 Ca 0.32 -0.71 0.07 0.00 -0.15 0.00 0.00 54.97 54.50 1o8r s GLU 63 Cb 0.15 -1.37 0.34 0.00 -0.44 0.00 0.00 34.13 32.81 1o8r s GLU 63 CO 0.25 0.37 1.20 -2.30 0.95 0.00 0.00 175.26 175.73 1o8r n PRO 64 N 2.40 0.04 0.12 -4.83 -0.02 -1.26 -1.12 135.00 130.32 1o8r n PRO 64 Ca -0.16 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1o8r n PRO 64 Cb 0.54 -1.61 0.37 0.00 -0.02 0.00 0.00 33.50 32.78 1o8r n PRO 64 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1o8r h ASN 65 N 0.00 0.00 -1.05 2.55 2.35 -1.94 -3.29 115.58 114.19 1o8r h ASN 65 Ca 0.00 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.03 1o8r h ASN 65 Cb 0.03 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.31 1o8r h ASN 65 CO 0.00 0.00 0.68 0.00 -1.65 0.00 0.00 177.43 176.46 1o8r h ALA 66 N 2.43 2.26 -0.77 -0.83 0.00 -1.14 0.47 119.26 121.69 1o8r h ALA 66 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1o8r h ALA 66 Cb 0.78 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1o8r h ALA 66 CO 0.00 -0.68 0.37 0.37 0.00 0.00 0.00 179.25 179.31 1o8r h GLN 67 N 0.38 1.10 0.23 0.00 4.15 -1.78 0.33 115.11 119.52 1o8r h GLN 67 Ca 0.61 -0.16 -0.31 0.00 0.77 0.00 0.00 58.65 59.56 1o8r h GLN 67 Cb 1.57 -0.20 0.03 0.00 0.21 0.00 0.00 27.48 29.09 1o8r h GLN 67 CO -0.31 0.85 -1.38 1.49 -1.93 0.00 0.00 178.83 177.56 1o8r h GLU 68 N 1.08 0.49 -0.64 1.69 4.57 -0.65 -3.28 114.58 117.84 1o8r h GLU 68 Ca 0.26 -0.84 -0.06 0.00 -1.18 0.00 0.00 59.36 57.55 1o8r h GLU 68 Cb 0.11 0.31 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1o8r h GLU 68 CO -0.03 1.40 0.17 0.82 -1.18 0.00 0.00 179.01 180.19 1o8r h ILE 69 N 0.04 1.25 -0.00 2.32 2.04 -0.16 -3.04 117.51 119.97 1o8r h ILE 69 Ca -0.24 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 64.75 1o8r h ILE 69 Cb 2.07 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 1o8r h ILE 69 CO 0.25 0.34 -0.31 0.25 0.00 0.00 0.00 178.15 178.67 1o8r h LEU 70 N 0.93 -0.94 -0.19 1.44 7.12 -0.44 -0.27 115.31 122.96 1o8r h LEU 70 Ca 0.20 0.12 0.05 0.00 0.13 0.00 0.00 57.88 58.39 1o8r h LEU 70 Cb 0.34 0.38 -0.07 0.00 -0.53 0.00 0.00 40.66 40.78 1o8r h LEU 70 CO -0.00 -0.38 -0.34 1.56 -0.13 0.00 0.00 178.44 179.15 1o8r h GLN 71 N -0.46 -0.37 0.08 1.25 4.20 -1.60 -0.82 115.11 117.39 1o8r h GLN 71 Ca 0.06 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1o8r h GLN 71 Cb 0.55 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1o8r h GLN 71 CO -0.27 -0.25 -0.40 0.00 -0.67 0.00 0.00 178.83 177.25 1o8r h ARG 72 N -0.38 -0.58 -0.67 1.46 3.08 -1.35 -1.67 114.38 114.27 1o8r h ARG 72 Ca 0.11 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.33 1o8r h ARG 72 Cb 0.56 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.62 1o8r h ARG 72 CO -0.40 -0.39 -0.14 -0.07 -1.07 0.00 0.00 179.97 177.90 1o8r h LEU 73 N -0.60 -0.57 -0.33 3.04 3.38 -0.52 0.26 115.31 119.97 1o8r h LEU 73 Ca 0.03 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1o8r h LEU 73 Cb 0.65 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1o8r h LEU 73 CO -0.26 -0.21 -0.02 -0.33 0.09 0.00 0.00 178.44 177.71 1o8r h GLU 74 N 0.02 0.07 0.31 1.13 4.39 -0.35 0.47 114.58 120.61 1o8r h GLU 74 Ca 0.33 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1o8r h GLU 74 Cb 0.51 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1o8r h GLU 74 CO -0.67 0.05 -0.32 1.49 -1.16 0.00 0.00 179.01 178.39 1o8r h GLU 75 N 0.07 -0.64 -0.77 2.33 4.81 -0.11 -1.63 114.58 118.65 1o8r h GLU 75 Ca 0.16 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1o8r h GLU 75 Cb 0.22 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1o8r h GLU 75 CO -0.28 -0.42 0.50 0.82 -0.73 0.00 0.00 179.01 178.90 1o8r h ILE 76 N -0.66 0.98 -0.07 2.32 1.08 -1.04 0.21 117.51 120.32 1o8r h ILE 76 Ca -0.01 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1o8r h ILE 76 Cb 0.61 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1o8r h ILE 76 CO -0.07 0.14 0.05 0.00 -0.69 0.00 0.00 178.15 177.58 1o8r h ALA 77 N 1.60 2.06 -0.72 1.87 0.00 -0.00 -1.67 119.26 122.40 1o8r h ALA 77 Ca 0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1o8r h ALA 77 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1o8r h ALA 77 CO -0.13 -0.08 0.35 1.49 0.00 0.00 0.00 179.25 180.88 1o8r h GLU 78 N 0.00 1.04 -3.72 0.00 4.81 0.21 -3.14 114.58 113.79 1o8r h GLU 78 Ca 0.03 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1o8r h GLU 78 Cb 0.13 -0.19 -0.15 0.00 0.63 0.00 0.00 28.75 29.17 1o8r h GLU 78 CO -0.00 0.81 -0.37 0.16 -0.73 0.00 0.00 179.01 178.88 1o8r s ASP 79 N -6.14 0.09 0.05 1.04 1.47 -0.63 -4.19 116.67 108.36 1o8r s ASP 79 Ca -0.13 -0.56 -0.31 0.00 1.18 0.00 0.00 52.55 52.74 1o8r s ASP 79 Cb 0.15 0.33 -0.18 0.00 -0.34 0.00 0.00 42.92 42.87 1o8r s ASP 79 CO 0.81 -0.68 1.43 1.55 0.68 0.00 0.00 175.17 178.96 1o8r h PRO 80 N 2.96 -0.86 0.00 2.11 0.14 -1.88 -3.43 132.00 131.04 1o8r h PRO 80 Ca -0.33 0.06 0.00 0.00 0.14 0.00 0.00 66.00 65.87 1o8r h PRO 80 Cb 1.20 0.20 0.00 0.00 0.14 0.00 0.00 31.00 32.53 1o8r h PRO 80 CO 0.54 -0.55 0.00 0.41 0.14 0.00 0.00 178.00 178.54 1o8r n GLY 81 N -1.12 0.62 0.20 1.56 0.00 -1.26 -3.18 105.19 102.00 1o8r n GLY 81 Ca -0.13 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 0.39 -0.20 2.61 1.35 -1.96 -3.30 112.91 111.80 1o8r h THR 82 Ca 0.00 -1.42 0.05 0.00 -0.55 0.00 0.00 66.41 64.49 1o8r h THR 82 Cb 0.00 2.09 -0.06 0.00 -1.73 0.00 0.00 68.15 68.44 1o8r h THR 82 CO 0.00 0.21 -0.23 0.00 -0.25 0.00 0.00 175.52 175.25 1o8r h GLU 84 N -0.26 0.50 -0.60 0.00 4.81 -1.69 -0.35 114.58 117.00 1o8r h GLU 84 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1o8r h GLU 84 Cb 0.44 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1o8r h GLU 84 CO -0.34 0.33 0.00 0.44 -0.73 0.00 0.00 179.01 178.71 1o8r n ILE 85 N -4.47 1.11 -1.21 2.32 -5.35 -0.38 -4.89 119.36 106.49 1o8r n ILE 85 Ca 0.08 -0.84 -0.10 0.00 -0.27 0.00 0.00 62.75 61.62 1o8r n ILE 85 Cb 0.25 0.19 -0.04 0.00 -1.74 0.00 0.00 39.64 38.30 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 0.90 1.44 -2.67 0.00 0.00 -0.27 -4.74 120.51 115.17 1o8r n ALA 87 Ca -0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1o8r n ALA 87 Cb 0.50 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.01 0.63 -2.00 0.00 5.04 -1.25 -5.00 117.35 111.76 1o8r s TYR 88 Ca 0.05 -0.96 0.13 0.00 -2.44 0.00 0.00 57.07 53.85 1o8r s TYR 88 Cb 0.06 -0.15 0.75 0.00 0.35 0.00 0.00 41.96 42.97 1o8r s TYR 88 CO 0.18 -0.76 1.31 0.00 -1.34 0.00 0.00 175.55 174.93 1o8r n ALA 89 N -0.27 2.34 -0.14 3.97 0.00 -1.26 -3.54 120.51 121.61 1o8r n ALA 89 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1o8r n ALA 89 Cb 0.64 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 19.01 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 3.04 1.06 -2.93 0.00 0.00 -1.91 -3.41 119.26 115.10 1o8r h ALA 90 Ca 0.00 -0.26 -0.63 0.00 0.00 0.00 0.00 54.91 54.02 1o8r h ALA 90 Cb 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 17.79 17.43 1o8r h ALA 90 CO 0.00 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 179.39 1o8r s THR 92 N 1.55 3.75 0.00 0.00 -4.23 -0.84 -4.52 115.64 111.35 1o8r s THR 92 Ca 0.09 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1o8r s THR 92 Cb -0.15 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1o8r s THR 92 CO 0.09 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1o8r n GLY 93 N 0.14 3.49 0.00 3.99 0.00 -1.26 -3.44 105.19 108.11 1o8r n GLY 93 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32