#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 1.96 -0.42 1.55 2.01 -1.17 -4.94 115.64 114.63 1o8r s THR 2 Ca 0.00 -1.81 -0.27 0.00 0.31 0.00 0.00 61.69 59.91 1o8r s THR 2 Cb 0.00 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.69 1o8r s THR 2 CO 0.00 -0.15 1.02 -0.69 -0.69 0.00 0.00 174.62 174.11 1o8r s VAL 3 N -1.58 4.42 -0.19 3.82 1.01 0.29 -1.99 120.40 126.17 1o8r s VAL 3 Ca 0.14 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 1o8r s VAL 3 Cb -0.08 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1o8r s VAL 3 CO 0.07 -0.76 -0.05 -1.58 0.00 0.00 0.00 175.10 172.77 1o8r s GLN 4 N 3.90 3.45 0.00 2.72 0.74 -0.69 0.28 119.66 130.05 1o8r s GLN 4 Ca 0.42 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 55.22 1o8r s GLN 4 Cb -0.10 -2.94 0.00 0.00 1.10 0.00 0.00 33.01 31.07 1o8r s GLN 4 CO 0.24 -0.05 0.01 -3.47 -0.55 0.00 0.00 175.29 171.48 1o8r n ASP 5 N 4.36 0.00 0.00 6.67 2.03 -1.14 -4.76 116.55 123.71 1o8r n ASP 5 Ca -0.18 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1o8r n ASP 5 Cb 0.51 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 2.32 0.51 0.10 0.27 0.00 -1.26 -4.88 105.19 102.25 1o8r n GLY 6 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.31 -4.39 1.61 3.02 -1.26 -4.76 115.26 109.79 1o8r n ASN 7 Ca 0.00 -1.42 -0.33 0.00 -0.03 0.00 0.00 54.58 52.80 1o8r n ASN 7 Cb 0.00 -0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.97 2.76 -0.05 3.10 0.08 -1.26 -5.10 117.98 115.54 1o8r s PHE 8 Ca 0.31 -0.53 -0.24 0.00 0.12 0.00 0.00 56.93 56.59 1o8r s PHE 8 Cb 0.15 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1o8r s PHE 8 CO 0.24 -0.11 0.74 -1.54 -0.10 0.00 0.00 175.22 174.45 1o8r s SER 9 N 0.03 7.05 -0.10 1.36 1.04 -1.26 -2.89 113.70 118.93 1o8r s SER 9 Ca -0.05 1.26 0.03 0.00 0.48 0.00 0.00 55.95 57.68 1o8r s SER 9 Cb -0.14 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.54 1o8r s SER 9 CO 0.04 -0.13 -0.22 -0.36 0.98 0.00 0.00 173.24 173.55 1o8r s PHE 10 N 0.81 2.61 0.90 5.02 0.08 0.78 -4.89 117.98 123.29 1o8r s PHE 10 Ca 0.40 -0.95 -0.12 0.00 0.12 0.00 0.00 56.93 56.37 1o8r s PHE 10 Cb -0.18 -1.74 0.13 0.00 -0.57 0.00 0.00 43.02 40.66 1o8r s PHE 10 CO 0.20 -0.37 1.15 -1.54 -0.10 0.00 0.00 175.22 174.56 1o8r s SER 11 N 0.32 3.61 0.00 1.36 1.04 -1.26 -0.55 113.70 118.23 1o8r s SER 11 Ca -0.17 0.92 0.24 0.00 0.48 0.00 0.00 55.95 57.42 1o8r s SER 11 Cb -0.17 -1.47 0.24 0.00 0.10 0.00 0.00 66.02 64.71 1o8r s SER 11 CO 0.08 -2.48 1.23 0.18 0.98 0.00 0.00 173.24 173.23 1o8r n LEU 12 N -3.72 1.36 0.00 2.42 4.32 -1.26 -4.38 117.00 115.75 1o8r n LEU 12 Ca 0.07 -0.47 0.00 0.00 -0.02 0.00 0.00 56.01 55.59 1o8r n LEU 12 Cb 0.59 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1o8r n LEU 12 CO 0.57 0.27 0.21 -0.62 -1.22 0.00 0.00 177.39 176.60 1o8r n GLU 13 N -0.66 0.00 -0.29 3.23 1.02 -1.26 -1.71 120.64 120.97 1o8r n GLU 13 Ca 0.09 0.42 -0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1o8r n GLU 13 Cb 0.39 -1.15 0.06 0.00 -0.02 0.00 0.00 31.44 30.73 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1o8r h SER 14 N 0.00 -1.04 -0.24 1.62 0.02 -1.94 0.23 113.55 112.20 1o8r h SER 14 Ca 0.00 0.26 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1o8r h SER 14 Cb 0.00 0.59 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1o8r h SER 14 CO 0.00 -0.29 0.00 -0.37 -1.14 0.00 0.00 176.83 175.03 1o8r h VAL 15 N -0.05 0.84 -0.11 2.27 -1.51 -1.76 1.28 116.25 117.20 1o8r h VAL 15 Ca 0.34 -0.03 0.04 0.00 -1.23 0.00 0.00 66.70 65.82 1o8r h VAL 15 Cb 0.59 0.75 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 1o8r h VAL 15 CO -0.84 0.01 -0.13 0.50 -1.23 0.00 0.00 177.57 175.88 1o8r h LYS 16 N 0.08 -0.17 -0.14 5.19 3.64 0.20 0.30 116.57 125.67 1o8r h LYS 16 Ca 0.11 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1o8r h LYS 16 Cb 0.14 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1o8r h LYS 16 CO -0.19 -0.11 0.00 1.63 -2.27 0.00 0.00 179.45 178.51 1o8r n LYS 17 N -5.28 1.04 0.04 1.90 5.02 0.39 -3.76 118.16 117.51 1o8r n LYS 17 Ca -0.03 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1o8r n LYS 17 Cb 0.20 -1.08 0.31 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.09 0.40 -0.66 -0.35 5.85 0.55 -2.63 115.31 118.57 1o8r h LEU 18 Ca 0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1o8r h LEU 18 Cb 0.08 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1o8r h LEU 18 CO 0.00 0.53 0.33 0.50 -0.34 0.00 0.00 178.44 179.46 1o8r h LYS 19 N 0.40 0.95 -5.10 1.25 3.64 -1.71 -3.40 116.57 112.59 1o8r h LYS 19 Ca 0.08 -0.13 -0.63 0.00 -1.27 0.00 0.00 60.65 58.69 1o8r h LYS 19 Cb 0.39 -0.17 -0.19 0.00 -0.41 0.00 0.00 32.23 31.85 1o8r h LYS 19 CO 0.02 0.74 -0.59 -0.51 -2.27 0.00 0.00 179.45 176.84 1o8r s ASP 20 N -6.05 5.38 -0.14 4.20 1.01 -0.99 -5.08 116.67 115.01 1o8r s ASP 20 Ca -0.13 -0.07 -0.16 0.00 0.71 0.00 0.00 52.55 52.90 1o8r s ASP 20 Cb 0.14 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 1o8r s ASP 20 CO 0.79 0.06 0.40 -0.22 0.21 0.00 0.00 175.17 176.42 1o8r s LEU 21 N 1.05 4.26 0.30 1.23 2.96 -1.26 -4.85 118.68 122.36 1o8r s LEU 21 Ca 0.04 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1o8r s LEU 21 Cb -0.14 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 1o8r s LEU 21 CO 0.03 0.04 0.10 -1.10 -1.32 0.00 0.00 176.35 174.10 1o8r s GLN 22 N 0.57 1.55 0.83 1.98 -0.21 -1.26 -5.12 119.66 118.00 1o8r s GLN 22 Ca 0.22 -1.86 -0.17 0.00 0.02 0.00 0.00 55.36 53.57 1o8r s GLN 22 Cb -0.14 -0.41 -0.12 0.00 1.00 0.00 0.00 33.01 33.33 1o8r s GLN 22 CO 0.08 -0.31 -0.36 0.39 -2.12 0.00 0.00 175.29 172.97 1o8r n GLU 23 N -0.58 0.01 -0.20 2.91 4.71 -1.26 -4.53 120.64 121.70 1o8r n GLU 23 Ca -0.01 0.01 -0.08 0.00 -0.01 0.00 0.00 57.16 57.08 1o8r n GLU 23 Cb 0.66 -1.18 -0.01 0.00 -1.01 0.00 0.00 31.44 29.90 1o8r n GLU 23 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1o8r n PRO 24 N 1.46 0.46 -5.16 3.49 -0.05 -1.26 -4.79 135.00 129.15 1o8r n PRO 24 Ca 0.03 -0.75 -0.30 0.00 -0.05 0.00 0.00 63.50 62.43 1o8r n PRO 24 Cb 0.53 -2.13 -0.16 0.00 -0.05 0.00 0.00 33.50 31.68 1o8r n PRO 24 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 1o8r s GLN 25 N 4.76 2.39 -0.44 0.54 -0.21 -1.26 -5.06 119.66 120.38 1o8r s GLN 25 Ca 0.13 -0.83 0.09 0.00 0.02 0.00 0.00 55.36 54.76 1o8r s GLN 25 Cb 0.03 -2.02 0.29 0.00 1.00 0.00 0.00 33.01 32.31 1o8r s GLN 25 CO 0.01 0.33 0.66 0.39 -2.12 0.00 0.00 175.29 174.57 1o8r n GLU 26 N 3.04 1.34 -1.65 2.91 -0.58 -1.26 -5.05 120.64 119.39 1o8r n GLU 26 Ca -0.18 -3.67 -0.35 0.00 -0.42 0.00 0.00 57.16 52.54 1o8r n GLU 26 Cb 0.52 -1.63 0.07 0.00 -0.57 0.00 0.00 31.44 29.84 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1o8r s PRO 27 N -1.99 2.43 -0.06 3.49 0.05 -1.26 -5.02 135.00 132.65 1o8r s PRO 27 Ca 0.39 1.88 0.00 0.00 0.05 0.00 0.00 61.00 63.32 1o8r s PRO 27 Cb 0.23 -1.85 -0.03 0.00 0.05 0.00 0.00 34.50 32.89 1o8r s PRO 27 CO -0.09 -1.64 -0.04 1.03 0.05 0.00 0.00 177.00 176.31 1o8r s ARG 28 N -3.62 2.79 -0.04 4.56 0.52 -1.26 -5.11 118.95 116.79 1o8r s ARG 28 Ca 0.78 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.50 1o8r s ARG 28 Cb -0.32 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1o8r s ARG 28 CO 0.41 0.66 -0.21 0.08 0.02 0.00 0.00 175.30 176.27 1o8r s VAL 29 N -0.88 1.68 0.46 3.52 1.01 -1.26 -5.00 120.40 119.93 1o8r s VAL 29 Ca 0.14 -0.87 0.18 0.00 0.00 0.00 0.00 61.98 61.43 1o8r s VAL 29 Cb -0.11 -1.43 0.36 0.00 0.00 0.00 0.00 36.38 35.20 1o8r s VAL 29 CO 0.03 0.48 1.96 1.23 0.00 0.00 0.00 175.10 178.80 1o8r h GLY 30 N 6.05 0.46 -3.22 4.51 0.00 -2.07 -3.41 103.07 105.38 1o8r h GLY 30 Ca -0.34 -0.12 -0.51 0.00 0.00 0.00 0.00 47.33 46.36 1o8r h GLY 30 CO 0.48 0.05 0.50 1.25 0.00 0.00 0.00 176.54 178.82 1o8r s LYS 31 N -5.28 4.15 -0.10 4.80 2.20 -1.26 -4.99 119.74 119.25 1o8r s LYS 31 Ca -0.07 1.83 -0.24 0.00 -0.36 0.00 0.00 55.97 57.14 1o8r s LYS 31 Cb 0.20 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 1o8r s LYS 31 CO 0.75 -0.24 0.72 -1.17 -0.36 0.00 0.00 175.35 175.06 1o8r s LEU 32 N -2.34 4.27 0.24 5.43 2.96 -1.26 -5.03 118.68 122.95 1o8r s LEU 32 Ca 0.55 1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 55.32 1o8r s LEU 32 Cb -0.31 -3.10 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 1o8r s LEU 32 CO 0.39 -0.18 1.15 -0.13 -1.32 0.00 0.00 176.35 176.26 1o8r s ARG 33 N 1.16 4.56 0.00 1.98 0.52 -1.26 -4.89 118.95 121.02 1o8r s ARG 33 Ca 0.37 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1o8r s ARG 33 Cb -0.17 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.09 1o8r s ARG 33 CO 0.16 0.05 0.55 0.27 0.02 0.00 0.00 175.30 176.36 1o8r n ASN 34 N 1.78 0.00 -1.81 0.23 6.94 -1.25 -4.71 115.26 116.45 1o8r n ASN 34 Ca 0.01 -1.17 0.08 0.00 -0.02 0.00 0.00 54.58 53.48 1o8r n ASN 34 Cb 0.45 -0.03 0.39 0.00 -2.36 0.00 0.00 39.78 38.22 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1o8r n PHE 35 N 0.00 1.91 -1.69 -2.53 3.72 -1.24 -4.36 117.46 113.27 1o8r n PHE 35 Ca 0.00 -0.68 -0.44 0.00 -0.05 0.00 0.00 57.45 56.28 1o8r n PHE 35 Cb 0.53 -0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o8r n ALA 36 N 0.77 1.32 -1.00 4.37 0.00 -1.26 -4.98 120.51 119.74 1o8r n ALA 36 Ca 0.27 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1o8r n ALA 36 Cb 1.11 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1o8r n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1o8r n PRO 37 N 1.64 2.15 -4.17 0.00 -0.05 -1.26 -4.58 135.00 128.73 1o8r n PRO 37 Ca 0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 63.50 63.19 1o8r n PRO 37 Cb 0.33 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.70 1o8r n PRO 37 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1o8r s ILE 38 N 0.00 4.79 1.38 0.52 1.09 -1.26 -4.82 121.20 122.89 1o8r s ILE 38 Ca 0.00 -0.07 -0.22 0.00 -1.10 0.00 0.00 60.65 59.27 1o8r s ILE 38 Cb 0.00 -3.05 0.35 0.00 -1.06 0.00 0.00 42.46 38.70 1o8r s ILE 38 CO 0.00 0.61 0.96 -2.16 -0.10 0.00 0.00 174.94 174.25 1o8r s PRO 39 N -0.89 -2.61 0.00 2.79 0.05 -1.26 -4.56 135.00 128.51 1o8r s PRO 39 Ca 0.14 0.14 0.00 0.00 0.05 0.00 0.00 61.00 61.33 1o8r s PRO 39 Cb -0.12 -1.41 0.00 0.00 0.05 0.00 0.00 34.50 33.02 1o8r s PRO 39 CO 0.03 -4.67 0.00 0.41 0.05 0.00 0.00 177.00 172.82 1o8r n GLY 40 N 1.02 1.07 3.80 0.56 0.00 -1.26 -5.07 105.19 105.31 1o8r n GLY 40 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1o8r n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o8r s GLU 41 N -0.62 4.39 0.07 1.61 2.02 -1.26 -4.98 118.70 119.92 1o8r s GLU 41 Ca 0.00 1.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.77 1o8r s GLU 41 Cb 0.00 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.38 1o8r s GLU 41 CO 0.00 0.30 1.83 -2.14 0.02 0.00 0.00 175.26 175.26 1o8r s PRO 42 N -2.16 4.15 0.05 0.39 0.02 -1.26 -4.94 135.00 131.26 1o8r s PRO 42 Ca 0.48 2.51 -0.03 0.00 0.02 0.00 0.00 61.00 63.99 1o8r s PRO 42 Cb -0.17 -3.83 -0.03 0.00 0.02 0.00 0.00 34.50 30.50 1o8r s PRO 42 CO 0.21 -0.86 0.03 0.08 -0.33 0.00 0.00 177.00 176.13 1o8r s VAL 43 N 3.43 0.18 -1.05 3.83 1.01 -1.26 -4.91 120.40 121.64 1o8r s VAL 43 Ca 0.81 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1o8r s VAL 43 Cb -0.42 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1o8r s VAL 43 CO 0.37 -0.83 0.88 0.52 0.00 0.00 0.00 175.10 176.04 1o8r n VAL 44 N 0.33 -5.78 0.00 2.92 0.31 -1.26 -4.82 118.33 110.02 1o8r n VAL 44 Ca -0.16 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 1o8r n VAL 44 Cb 0.60 -4.94 0.00 0.00 -0.91 0.00 0.00 33.84 28.60 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1o8r n PRO 45 N -3.68 2.61 0.15 5.55 -0.05 -1.26 -4.72 135.00 133.60 1o8r n PRO 45 Ca -0.23 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.24 1o8r n PRO 45 Cb 0.64 0.00 0.37 0.00 -0.05 0.00 0.00 33.50 34.46 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 1o8r h ILE 46 N 0.00 1.22 -1.06 0.52 1.08 -1.96 -3.36 117.51 113.95 1o8r h ILE 46 Ca 0.00 -1.02 -0.37 0.00 -0.39 0.00 0.00 64.86 63.08 1o8r h ILE 46 Cb 0.00 1.44 -0.26 0.00 -3.07 0.00 0.00 36.82 34.93 1o8r h ILE 46 CO 0.00 0.30 -0.77 0.00 -0.69 0.00 0.00 178.15 177.00 1o8r n LEU 47 N -4.19 -1.60 -1.82 1.44 -0.00 -1.26 -5.10 117.00 104.47 1o8r n LEU 47 Ca -0.01 -3.88 0.00 0.00 -0.00 0.00 0.00 56.01 52.12 1o8r n LEU 47 Cb 0.34 0.73 0.00 0.00 -0.00 0.00 0.00 43.42 44.49 1o8r n LEU 47 CO 0.39 2.01 -0.36 0.00 -0.00 0.00 0.00 177.39 179.43 1o8r n SER 49 N 0.54 0.00 -4.61 0.00 2.88 -1.26 -4.65 113.62 106.52 1o8r n SER 49 Ca 0.00 0.52 -0.43 0.00 -1.33 0.00 0.00 58.87 57.63 1o8r n SER 49 Cb 0.00 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 1o8r n SER 49 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1o8r s ASN 50 N -2.73 6.54 0.00 -3.46 0.02 -1.26 -4.85 114.94 109.20 1o8r s ASN 50 Ca 0.00 0.87 0.05 0.00 -1.02 0.00 0.00 52.86 52.77 1o8r s ASN 50 Cb 0.00 -2.54 0.23 0.00 0.02 0.00 0.00 41.25 38.96 1o8r s ASN 50 CO 0.00 -1.25 1.17 -2.65 0.02 0.00 0.00 177.10 174.39 1o8r n PRO 51 N 7.72 0.00 -1.14 -0.60 -0.02 -1.26 -1.91 135.00 137.79 1o8r n PRO 51 Ca 0.15 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 62.06 1o8r n PRO 51 Cb 0.48 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.51 1.83 -3.82 2.55 3.02 -1.26 -5.02 115.26 111.05 1o8r n ASN 52 Ca 0.01 -3.22 -0.28 0.00 -0.03 0.00 0.00 54.58 51.06 1o8r n ASN 52 Cb 0.06 -0.44 0.20 0.00 -0.61 0.00 0.00 39.78 38.99 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1o8r n PHE 53 N -0.57 -3.99 -1.05 3.10 -1.74 -0.80 -4.79 117.46 107.61 1o8r n PHE 53 Ca 0.17 -1.13 -0.28 0.00 -0.56 0.00 0.00 57.45 55.65 1o8r n PHE 53 Cb 0.86 -0.98 -0.12 0.00 1.52 0.00 0.00 39.48 40.76 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 -3.69 0.04 -0.49 3.97 -0.02 -1.26 -4.65 135.00 128.91 1o8r n PRO 54 Ca 0.16 -1.32 0.41 0.00 -2.02 0.00 0.00 63.50 60.73 1o8r n PRO 54 Cb 0.55 -3.17 0.64 0.00 -0.02 0.00 0.00 33.50 31.50 1o8r n PRO 54 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1o8r n GLU 55 N 7.94 0.01 0.26 -0.52 2.13 -1.26 0.26 120.64 129.46 1o8r n GLU 55 Ca 0.43 1.02 0.12 0.00 0.66 0.00 0.00 57.16 59.39 1o8r n GLU 55 Cb 0.44 -2.44 0.66 0.00 0.27 0.00 0.00 31.44 30.38 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 -0.42 5.31 4.39 -1.95 1.58 114.58 123.49 1o8r h GLU 56 Ca 0.73 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.43 1o8r h GLU 56 Cb 3.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.97 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.12 1o8r n LEU 57 N -2.56 2.29 -0.36 1.33 4.77 0.72 -4.48 117.00 118.70 1o8r n LEU 57 Ca -0.02 -1.13 0.03 0.00 -0.03 0.00 0.00 56.01 54.87 1o8r n LEU 57 Cb 0.32 -0.28 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1o8r n LEU 57 CO 0.11 0.57 0.62 0.29 -1.33 0.00 0.00 177.39 177.64 1o8r n LYS 58 N 0.75 -0.14 -0.28 3.23 4.76 0.54 0.14 118.16 127.15 1o8r n LYS 58 Ca 0.15 1.52 0.04 0.00 -2.87 0.00 0.00 58.31 57.14 1o8r n LYS 58 Cb 0.36 -2.26 0.18 0.00 -1.84 0.00 0.00 35.03 31.47 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 0.67 -0.92 1.97 0.10 -1.82 0.37 132.00 132.37 1o8r h PRO 59 Ca 0.42 -0.04 0.06 0.00 0.10 0.00 0.00 66.00 66.55 1o8r h PRO 59 Cb 0.67 -0.15 -0.06 0.00 0.10 0.00 0.00 31.00 31.56 1o8r h PRO 59 CO -0.99 0.44 0.60 1.25 0.10 0.00 0.00 178.00 179.40 1o8r h LEU 60 N 0.69 0.93 -1.70 2.35 6.46 0.87 -0.28 115.31 124.63 1o8r h LEU 60 Ca 0.41 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 58.14 1o8r h LEU 60 Cb 0.46 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1o8r h LEU 60 CO -0.29 0.60 -0.17 0.00 -0.62 0.00 0.00 178.44 177.96 1o8r n LYS 62 N -4.23 2.15 -4.60 0.00 5.02 -0.16 -4.76 118.16 111.58 1o8r n LYS 62 Ca -0.02 -3.09 -0.23 0.00 -2.02 0.00 0.00 58.31 52.95 1o8r n LYS 62 Cb 0.24 -2.08 -0.16 0.00 -0.02 0.00 0.00 35.03 33.02 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1o8r s GLU 63 N -3.31 1.26 0.49 1.97 8.01 -0.76 -5.01 118.70 121.36 1o8r s GLU 63 Ca 0.54 -0.45 0.22 0.00 0.01 0.00 0.00 54.97 55.28 1o8r s GLU 63 Cb 0.46 -1.15 1.27 0.00 -4.31 0.00 0.00 34.13 30.40 1o8r s GLU 63 CO 0.07 0.20 2.04 -1.00 0.01 0.00 0.00 175.26 176.59 1o8r h PRO 64 N 6.19 0.00 0.00 0.39 0.14 -1.92 -1.66 132.00 135.14 1o8r h PRO 64 Ca -0.33 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.81 1o8r h PRO 64 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1o8r h PRO 64 CO 0.48 0.15 -0.07 0.09 0.14 0.00 0.00 178.00 178.79 1o8r n ASN 65 N -3.93 0.23 -0.34 1.44 5.03 -1.26 -3.84 115.26 112.59 1o8r n ASN 65 Ca -0.02 0.42 0.21 0.00 0.87 0.00 0.00 54.58 56.07 1o8r n ASN 65 Cb 0.24 -0.46 0.46 0.00 -1.02 0.00 0.00 39.78 39.00 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1o8r h ALA 66 N 2.89 2.04 -0.94 5.41 0.00 -1.46 0.53 119.26 127.73 1o8r h ALA 66 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1o8r h ALA 66 Cb 0.55 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1o8r h ALA 66 CO 0.00 -0.51 0.61 1.96 0.00 0.00 0.00 179.25 181.31 1o8r h GLN 67 N 0.45 1.10 0.24 0.00 4.20 -1.78 0.59 115.11 119.91 1o8r h GLN 67 Ca 0.64 -0.07 -0.33 0.00 0.06 0.00 0.00 58.65 58.95 1o8r h GLN 67 Cb 1.46 -0.25 0.03 0.00 0.30 0.00 0.00 27.48 29.03 1o8r h GLN 67 CO -0.41 0.72 -1.48 1.49 -0.67 0.00 0.00 178.83 178.49 1o8r h GLU 68 N 1.13 0.51 0.11 1.46 4.81 -0.40 -3.24 114.58 118.96 1o8r h GLU 68 Ca 0.40 -0.87 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1o8r h GLU 68 Cb 0.11 0.33 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1o8r h GLU 68 CO -0.15 1.42 -0.05 0.82 -0.73 0.00 0.00 179.01 180.31 1o8r h ILE 69 N 0.14 1.02 -0.37 2.32 2.04 -0.12 -2.98 117.51 119.57 1o8r h ILE 69 Ca -0.25 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.17 1o8r h ILE 69 Cb 2.15 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 39.49 1o8r h ILE 69 CO 0.27 0.12 -0.50 0.25 0.00 0.00 0.00 178.15 178.29 1o8r h LEU 70 N -0.38 -1.64 -0.72 1.44 7.12 0.05 0.34 115.31 121.53 1o8r h LEU 70 Ca -0.01 0.23 0.14 0.00 0.13 0.00 0.00 57.88 58.36 1o8r h LEU 70 Cb 0.31 0.68 -0.14 0.00 -0.53 0.00 0.00 40.66 40.99 1o8r h LEU 70 CO 0.02 -0.40 -0.25 -0.61 -0.13 0.00 0.00 178.44 177.08 1o8r h GLN 71 N -0.39 -0.05 0.56 1.25 4.15 -1.57 -0.46 115.11 118.59 1o8r h GLN 71 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1o8r h GLN 71 Cb 0.61 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 1o8r h GLN 71 CO -0.56 -0.03 -0.33 0.00 -1.93 0.00 0.00 178.83 175.98 1o8r h ARG 72 N -0.05 -0.80 -0.53 1.69 2.47 -0.94 -1.16 114.38 115.06 1o8r h ARG 72 Ca 0.32 0.05 0.10 0.00 -1.26 0.00 0.00 59.98 59.20 1o8r h ARG 72 Cb 0.55 0.18 -0.11 0.00 -1.65 0.00 0.00 29.97 28.95 1o8r h ARG 72 CO -0.76 -0.54 -0.28 -0.07 0.56 0.00 0.00 179.97 178.88 1o8r h LEU 73 N -0.83 -0.97 -0.48 3.04 3.38 0.16 0.39 115.31 119.99 1o8r h LEU 73 Ca -0.07 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1o8r h LEU 73 Cb 0.67 0.50 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1o8r h LEU 73 CO 0.08 -0.28 0.24 -0.33 0.09 0.00 0.00 178.44 178.23 1o8r h GLU 74 N -0.15 0.45 0.24 1.13 5.08 -0.96 0.21 114.58 120.59 1o8r h GLU 74 Ca 0.23 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1o8r h GLU 74 Cb 0.52 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1o8r h GLU 74 CO -0.62 0.30 -0.20 1.49 -1.00 0.00 0.00 179.01 178.98 1o8r h GLU 75 N 0.46 -0.44 -0.38 2.33 4.81 0.25 -1.74 114.58 119.88 1o8r h GLU 75 Ca 0.21 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1o8r h GLU 75 Cb 0.13 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1o8r h GLU 75 CO -0.16 -0.29 0.20 0.82 -0.73 0.00 0.00 179.01 178.85 1o8r h ILE 76 N -0.46 1.12 -0.52 2.32 2.04 -0.72 -0.78 117.51 120.52 1o8r h ILE 76 Ca -0.01 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1o8r h ILE 76 Cb 0.41 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1o8r h ILE 76 CO -0.02 0.14 0.34 0.00 0.00 0.00 0.00 178.15 178.61 1o8r h ALA 77 N 1.70 1.91 -0.83 1.87 0.00 0.28 -1.20 119.26 122.99 1o8r h ALA 77 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1o8r h ALA 77 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1o8r h ALA 77 CO -0.02 0.00 0.45 1.49 0.00 0.00 0.00 179.25 181.17 1o8r h GLU 78 N 0.45 1.16 -3.56 0.00 4.81 -0.50 -3.39 114.58 113.56 1o8r h GLU 78 Ca 0.22 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1o8r h GLU 78 Cb 0.32 -0.22 -0.17 0.00 0.63 0.00 0.00 28.75 29.30 1o8r h GLU 78 CO -0.06 0.86 -0.37 -0.51 -0.73 0.00 0.00 179.01 178.20 1o8r s ASP 79 N -6.17 0.02 0.05 1.04 1.11 -0.45 -3.67 116.67 108.61 1o8r s ASP 79 Ca -0.13 -0.38 -0.29 0.00 0.18 0.00 0.00 52.55 51.93 1o8r s ASP 79 Cb 0.16 0.30 -0.16 0.00 1.07 0.00 0.00 42.92 44.29 1o8r s ASP 79 CO 0.82 -0.58 1.44 -0.65 1.18 0.00 0.00 175.17 177.37 1o8r h PRO 80 N 3.35 -0.97 0.00 8.23 0.10 -1.87 -3.42 132.00 137.42 1o8r h PRO 80 Ca -0.32 0.07 0.00 0.00 0.10 0.00 0.00 66.00 65.84 1o8r h PRO 80 Cb 1.19 0.22 0.00 0.00 0.10 0.00 0.00 31.00 32.51 1o8r h PRO 80 CO 0.49 -0.65 0.00 0.41 0.10 0.00 0.00 178.00 178.35 1o8r n GLY 81 N -1.51 0.49 0.19 -0.55 0.00 -1.26 -3.32 105.19 99.23 1o8r n GLY 81 Ca -0.12 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 0.21 -0.02 2.61 1.35 -1.97 -3.33 112.91 111.76 1o8r h THR 82 Ca 0.00 -1.30 0.03 0.00 -0.55 0.00 0.00 66.41 64.59 1o8r h THR 82 Cb 0.00 2.06 -0.05 0.00 -1.73 0.00 0.00 68.15 68.43 1o8r h THR 82 CO 0.00 0.12 -0.26 0.00 -0.25 0.00 0.00 175.52 175.13 1o8r h GLU 84 N -0.39 0.13 -0.65 0.00 4.81 -1.71 -0.17 114.58 116.61 1o8r h GLU 84 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1o8r h GLU 84 Cb 0.48 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1o8r h GLU 84 CO -0.24 0.08 0.00 0.44 -0.73 0.00 0.00 179.01 178.56 1o8r n ILE 85 N -4.48 1.18 -1.34 2.32 -5.35 -0.45 -4.90 119.36 106.35 1o8r n ILE 85 Ca 0.03 -0.94 -0.13 0.00 -0.27 0.00 0.00 62.75 61.44 1o8r n ILE 85 Cb 0.26 0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 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 0.68 1.48 -2.78 0.00 0.00 -0.31 -4.78 120.51 114.81 1o8r n ALA 87 Ca -0.13 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1o8r n ALA 87 Cb 0.47 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1o8r n ALA 87 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1o8r s TYR 88 N -3.19 1.01 -2.00 0.00 1.51 -1.25 -5.01 117.35 108.42 1o8r s TYR 88 Ca 0.04 -1.23 0.17 0.00 -1.01 0.00 0.00 57.07 55.03 1o8r s TYR 88 Cb 0.08 -0.17 1.00 0.00 -0.11 0.00 0.00 41.96 42.76 1o8r s TYR 88 CO 0.26 -1.01 1.51 0.00 -1.11 0.00 0.00 175.55 175.20 1o8r n ALA 89 N -0.49 2.39 0.10 3.71 0.00 -1.26 -3.53 120.51 121.43 1o8r n ALA 89 Ca 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.38 1o8r n ALA 89 Cb 0.62 -1.27 0.43 0.00 0.00 0.00 0.00 19.45 19.23 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 3.25 1.63 -3.12 0.00 0.00 -1.92 -3.41 119.26 115.69 1o8r h ALA 90 Ca 0.00 -0.12 -0.66 0.00 0.00 0.00 0.00 54.91 54.13 1o8r h ALA 90 Cb 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 17.40 1o8r h ALA 90 CO 0.00 0.28 -0.77 0.00 0.00 0.00 0.00 179.25 178.76 1o8r s THR 92 N 1.06 2.80 0.00 0.00 -4.23 -0.84 -4.66 115.64 109.77 1o8r s THR 92 Ca -0.00 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1o8r s THR 92 Cb -0.15 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1o8r s THR 92 CO -0.02 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1o8r n GLY 93 N -0.77 2.81 0.00 3.99 0.00 -1.26 -3.05 105.19 106.91 1o8r n GLY 93 Ca -0.05 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32