#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 1.98 -0.25 3.34 2.01 -1.22 -4.97 115.64 116.52 1o8r s THR 2 Ca 0.00 -1.44 -0.24 0.00 0.31 0.00 0.00 61.69 60.32 1o8r s THR 2 Cb 0.00 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 1o8r s THR 2 CO 0.00 0.20 0.78 -0.69 -0.69 0.00 0.00 174.62 174.23 1o8r s VAL 3 N -0.91 4.86 -0.26 3.82 1.01 -0.28 -2.00 120.40 126.64 1o8r s VAL 3 Ca 0.10 1.44 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 1o8r s VAL 3 Cb -0.10 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1o8r s VAL 3 CO 0.03 -0.07 0.03 -1.58 0.00 0.00 0.00 175.10 173.51 1o8r s GLN 4 N 2.79 3.20 -0.02 2.72 0.74 0.65 0.29 119.66 130.03 1o8r s GLN 4 Ca 0.33 -0.76 0.14 0.00 0.05 0.00 0.00 55.36 55.12 1o8r s GLN 4 Cb -0.15 -3.22 0.44 0.00 1.10 0.00 0.00 33.01 31.18 1o8r s GLN 4 CO 0.08 -0.34 1.36 -3.47 -0.55 0.00 0.00 175.29 172.37 1o8r n ASP 5 N 4.83 2.76 0.00 6.67 2.03 -1.24 -4.72 116.55 126.88 1o8r n ASP 5 Ca -0.16 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.09 1o8r n ASP 5 Cb 0.49 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 1.19 -0.81 0.40 0.27 0.00 -1.26 -4.95 105.19 100.04 1o8r n GLY 6 Ca 0.17 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.49 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 1.20 -4.20 1.61 3.02 -1.26 -4.80 115.26 110.82 1o8r n ASN 7 Ca 0.00 -1.73 -0.27 0.00 -0.03 0.00 0.00 54.58 52.55 1o8r n ASN 7 Cb 0.00 -0.10 -0.16 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.80 1.89 -0.14 3.10 0.40 -1.26 -5.11 117.98 115.06 1o8r s PHE 8 Ca 0.27 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 55.86 1o8r s PHE 8 Cb 0.14 -1.24 -0.01 0.00 0.51 0.00 0.00 43.02 42.42 1o8r s PHE 8 CO 0.21 -0.10 0.97 -1.54 0.70 0.00 0.00 175.22 175.45 1o8r s SER 9 N -0.27 7.14 -0.17 1.36 1.04 -1.26 -3.69 113.70 117.87 1o8r s SER 9 Ca 0.02 1.41 -0.01 0.00 0.48 0.00 0.00 55.95 57.85 1o8r s SER 9 Cb -0.10 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 1o8r s SER 9 CO 0.01 -0.47 -0.11 -0.36 0.98 0.00 0.00 173.24 173.29 1o8r s PHE 10 N 2.25 2.86 0.89 5.02 0.08 0.82 -4.90 117.98 124.99 1o8r s PHE 10 Ca 0.45 -0.84 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 1o8r s PHE 10 Cb -0.17 -1.94 0.12 0.00 -0.57 0.00 0.00 43.02 40.46 1o8r s PHE 10 CO 0.14 -0.38 1.12 -1.54 -0.10 0.00 0.00 175.22 174.46 1o8r s SER 11 N 0.82 3.68 0.09 1.36 1.04 -1.26 -1.12 113.70 118.31 1o8r s SER 11 Ca -0.04 1.13 0.22 0.00 0.48 0.00 0.00 55.95 57.74 1o8r s SER 11 Cb -0.15 -1.78 -0.15 0.00 0.10 0.00 0.00 66.02 64.05 1o8r s SER 11 CO 0.01 -2.46 0.78 0.18 0.98 0.00 0.00 173.24 172.72 1o8r n LEU 12 N -3.73 0.50 0.11 2.42 4.32 -1.26 -4.39 117.00 114.97 1o8r n LEU 12 Ca 0.07 0.20 -0.05 0.00 -0.02 0.00 0.00 56.01 56.20 1o8r n LEU 12 Cb 0.58 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.34 1o8r n LEU 12 CO 0.57 -0.07 0.51 -0.08 -1.22 0.00 0.00 177.39 177.10 1o8r h GLU 13 N 0.00 -0.30 -0.93 3.23 4.81 -1.93 0.32 114.58 119.77 1o8r h GLU 13 Ca -0.03 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.45 1o8r h GLU 13 Cb 1.09 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 1o8r h GLU 13 CO 0.01 -0.20 -0.03 0.77 -0.73 0.00 0.00 179.01 178.82 1o8r h SER 14 N -0.32 -0.53 0.02 1.04 0.02 -1.95 0.56 113.55 112.39 1o8r h SER 14 Ca -0.03 0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1o8r h SER 14 Cb 0.25 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1o8r h SER 14 CO 0.02 -0.31 -0.01 0.58 -1.14 0.00 0.00 176.83 175.98 1o8r h VAL 15 N 0.03 1.15 -0.28 2.27 2.07 -1.72 0.80 116.25 120.57 1o8r h VAL 15 Ca 0.53 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1o8r h VAL 15 Cb 1.02 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1o8r h VAL 15 CO -0.88 0.13 -0.02 0.50 0.02 0.00 0.00 177.57 177.32 1o8r h LYS 16 N -0.25 0.05 -0.01 1.57 1.63 0.31 0.27 116.57 120.15 1o8r h LYS 16 Ca -0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1o8r h LYS 16 Cb 0.23 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1o8r h LYS 16 CO 0.00 0.03 0.00 1.63 -3.45 0.00 0.00 179.45 177.67 1o8r n LYS 17 N -5.19 1.04 -0.12 1.90 5.02 0.16 -3.72 118.16 117.25 1o8r n LYS 17 Ca -0.00 -0.05 -0.04 0.00 -2.02 0.00 0.00 58.31 56.19 1o8r n LYS 17 Cb 0.15 -1.29 0.16 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.11 0.77 -1.26 -0.35 5.85 0.44 -2.67 115.31 118.20 1o8r h LEU 18 Ca 0.00 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1o8r h LEU 18 Cb 0.02 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1o8r h LEU 18 CO 0.00 0.82 0.53 0.50 -0.34 0.00 0.00 178.44 179.95 1o8r h LYS 19 N 0.76 0.89 -4.15 1.25 3.64 -1.68 -3.40 116.57 113.88 1o8r h LYS 19 Ca 0.15 -0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 59.02 1o8r h LYS 19 Cb 0.43 -0.20 -0.35 0.00 -0.41 0.00 0.00 32.23 31.70 1o8r h LYS 19 CO 0.02 0.59 -0.79 0.16 -2.27 0.00 0.00 179.45 177.15 1o8r s ASP 20 N -6.15 1.49 -0.17 4.20 -4.77 -1.01 -5.12 116.67 105.15 1o8r s ASP 20 Ca -0.11 -0.20 -0.22 0.00 -3.30 0.00 0.00 52.55 48.72 1o8r s ASP 20 Cb 0.19 -0.62 -0.02 0.00 -1.09 0.00 0.00 42.92 41.38 1o8r s ASP 20 CO 0.78 -0.06 0.68 -0.76 0.70 0.00 0.00 175.17 176.51 1o8r s LEU 21 N 1.15 4.18 -0.37 2.11 1.43 -1.26 -4.80 118.68 121.13 1o8r s LEU 21 Ca -0.07 0.96 0.13 0.00 -1.03 0.00 0.00 54.13 54.12 1o8r s LEU 21 Cb -0.14 -2.99 0.39 0.00 0.03 0.00 0.00 46.19 43.48 1o8r s LEU 21 CO -0.01 -0.27 0.95 0.00 0.23 0.00 0.00 176.35 177.24 1o8r n GLN 22 N 4.86 1.07 -3.42 1.70 6.02 -1.26 -4.99 117.38 121.35 1o8r n GLN 22 Ca -0.00 -2.91 -0.19 0.00 -0.01 0.00 0.00 57.00 53.89 1o8r n GLN 22 Cb 0.50 -1.23 0.04 0.00 1.02 0.00 0.00 30.24 30.57 1o8r n GLN 22 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1o8r n GLU 23 N 0.06 -1.60 -0.25 -1.09 4.71 -1.26 -4.71 120.64 116.50 1o8r n GLU 23 Ca 0.13 0.84 -0.11 0.00 -0.01 0.00 0.00 57.16 58.01 1o8r n GLU 23 Cb 0.74 -4.89 -0.02 0.00 -1.01 0.00 0.00 31.44 26.27 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 -3.23 0.50 0.30 3.49 -0.05 -1.26 -4.53 135.00 130.22 1o8r n PRO 24 Ca -0.08 -0.80 0.20 0.00 -0.05 0.00 0.00 63.50 62.76 1o8r n PRO 24 Cb 0.59 -2.18 0.99 0.00 -0.05 0.00 0.00 33.50 32.85 1o8r n PRO 24 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 175.50 177.41 1o8r h GLN 25 N 7.84 0.00 -4.47 0.54 4.20 -2.02 -3.46 115.11 117.74 1o8r h GLN 25 Ca 0.15 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 1o8r h GLN 25 Cb 0.13 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.03 1o8r h GLN 25 CO 1.24 0.00 -0.53 -1.91 -0.67 0.00 0.00 178.83 176.96 1o8r n GLU 26 N -3.01 -3.07 -1.57 1.46 2.13 -1.26 -4.97 120.64 110.35 1o8r n GLU 26 Ca -0.02 0.56 -0.35 0.00 0.66 0.00 0.00 57.16 58.01 1o8r n GLU 26 Cb 0.15 -4.53 0.08 0.00 0.27 0.00 0.00 31.44 27.41 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1o8r s PRO 27 N -4.46 2.31 -0.48 5.31 0.04 -1.26 -4.84 135.00 131.63 1o8r s PRO 27 Ca 0.13 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 1o8r s PRO 27 Cb -0.02 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1o8r s PRO 27 CO 0.48 -1.73 2.21 0.50 0.04 0.00 0.00 177.00 178.49 1o8r s ARG 28 N -3.66 2.42 0.00 4.56 3.52 -1.26 -4.93 118.95 119.59 1o8r s ARG 28 Ca 0.78 1.27 0.07 0.00 -0.13 0.00 0.00 55.73 57.72 1o8r s ARG 28 Cb -0.33 -4.49 -0.02 0.00 -1.56 0.00 0.00 34.95 28.56 1o8r s ARG 28 CO 0.42 -2.93 -0.22 0.54 -0.81 0.00 0.00 175.30 172.31 1o8r s VAL 29 N 10.66 1.74 -2.50 7.11 0.11 -1.26 -5.01 120.40 131.25 1o8r s VAL 29 Ca 0.89 -1.03 0.23 0.00 -2.93 0.00 0.00 61.98 59.14 1o8r s VAL 29 Cb -0.18 -1.47 0.42 0.00 -1.53 0.00 0.00 36.38 33.63 1o8r s VAL 29 CO 0.26 0.41 1.50 0.61 -3.33 0.00 0.00 175.10 174.55 1o8r n GLY 30 N 2.32 0.72 3.81 6.54 0.00 -1.26 -4.92 105.19 112.41 1o8r n GLY 30 Ca -0.16 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.79 4.34 -0.25 1.61 1.02 -1.26 -5.04 119.74 118.37 1o8r s LYS 31 Ca 0.34 1.14 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 1o8r s LYS 31 Cb 0.20 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1o8r s LYS 31 CO 0.30 0.13 0.20 -1.17 -0.92 0.00 0.00 175.35 173.89 1o8r s LEU 32 N -2.66 4.09 0.24 3.17 2.96 -1.26 -5.06 118.68 120.16 1o8r s LEU 32 Ca 0.56 0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 54.30 1o8r s LEU 32 Cb -0.13 -2.17 -0.09 0.00 0.50 0.00 0.00 46.19 44.30 1o8r s LEU 32 CO 0.18 0.00 1.27 -0.13 -1.32 0.00 0.00 176.35 176.35 1o8r s ARG 33 N 1.34 4.43 -0.02 1.98 0.52 -1.26 -4.86 118.95 121.08 1o8r s ARG 33 Ca 0.09 2.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.35 1o8r s ARG 33 Cb -0.14 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.18 1o8r s ARG 33 CO 0.07 -0.16 0.47 -1.71 0.02 0.00 0.00 175.30 173.99 1o8r n ASN 34 N 1.97 -0.42 -0.65 0.23 2.85 -1.26 -4.75 115.26 113.23 1o8r n ASN 34 Ca 0.03 -0.88 0.06 0.00 -0.11 0.00 0.00 54.58 53.68 1o8r n ASN 34 Cb 0.43 0.14 0.14 0.00 1.24 0.00 0.00 39.78 41.73 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 -0.08 0.38 -1.68 1.20 7.35 -1.26 -4.87 117.46 118.50 1o8r n PHE 35 Ca -0.11 -0.37 -0.44 0.00 -0.76 0.00 0.00 57.45 55.77 1o8r n PHE 35 Cb 0.46 -0.02 -0.04 0.00 0.35 0.00 0.00 39.48 40.23 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1o8r n ALA 36 N 0.63 1.66 -1.00 3.13 0.00 -1.26 -4.97 120.51 118.70 1o8r n ALA 36 Ca 0.11 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1o8r n ALA 36 Cb 0.41 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1o8r n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1o8r n PRO 37 N 6.21 2.71 -3.93 0.00 -0.02 -1.26 -4.71 135.00 134.00 1o8r n PRO 37 Ca 0.20 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.45 1o8r n PRO 37 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.79 1o8r n PRO 37 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1o8r s ILE 38 N 0.00 3.22 0.88 4.25 -0.00 -1.26 -4.75 121.20 123.53 1o8r s ILE 38 Ca 0.00 -1.52 -0.11 0.00 -0.00 0.00 0.00 60.65 59.02 1o8r s ILE 38 Cb 0.00 -3.08 0.12 0.00 -0.00 0.00 0.00 42.46 39.51 1o8r s ILE 38 CO 0.00 -0.16 1.15 -2.65 -0.00 0.00 0.00 174.94 173.28 1o8r n PRO 39 N -1.28 -0.22 0.00 0.37 -0.01 -1.26 -4.80 135.00 127.80 1o8r n PRO 39 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 63.50 63.48 1o8r n PRO 39 Cb 0.61 -2.39 0.00 0.00 -0.01 0.00 0.00 33.50 31.71 1o8r n PRO 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1o8r n GLY 40 N 0.40 0.00 2.58 -1.23 0.00 -1.26 -5.10 105.19 100.58 1o8r n GLY 40 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1o8r n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1o8r s GLU 41 N 0.00 0.99 0.39 1.61 2.12 -1.26 -5.11 118.70 117.43 1o8r s GLU 41 Ca 0.00 -1.78 -0.28 0.00 0.36 0.00 0.00 54.97 53.27 1o8r s GLU 41 Cb 0.00 -1.86 -0.11 0.00 0.26 0.00 0.00 34.13 32.43 1o8r s GLU 41 CO 0.00 -1.21 1.48 -2.14 -0.54 0.00 0.00 175.26 172.86 1o8r s PRO 42 N 0.56 4.04 0.28 4.30 0.01 -1.26 -4.81 135.00 138.12 1o8r s PRO 42 Ca 0.19 2.56 0.03 0.00 0.01 0.00 0.00 61.00 63.79 1o8r s PRO 42 Cb -0.20 -2.92 -0.06 0.00 0.01 0.00 0.00 34.50 31.33 1o8r s PRO 42 CO -0.02 -0.58 0.06 0.14 0.01 0.00 0.00 177.00 176.61 1o8r s VAL 43 N -1.13 0.90 -0.73 3.83 -7.23 -1.26 -4.89 120.40 109.88 1o8r s VAL 43 Ca 0.54 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1o8r s VAL 43 Cb -0.46 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 1o8r s VAL 43 CO 0.63 -0.07 0.62 0.52 -0.31 0.00 0.00 175.10 176.49 1o8r n VAL 44 N -0.54 -5.42 -0.14 1.32 0.31 -1.26 -4.43 118.33 108.17 1o8r n VAL 44 Ca -0.02 -0.67 -0.08 0.00 -0.01 0.00 0.00 64.34 63.56 1o8r n VAL 44 Cb 0.66 -4.86 0.00 0.00 -0.91 0.00 0.00 33.84 28.73 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 -0.92 0.59 0.00 5.55 0.13 -1.90 -3.43 132.00 132.01 1o8r h PRO 45 Ca -0.39 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1o8r h PRO 45 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1o8r h PRO 45 CO 0.30 0.44 0.00 -0.89 -0.23 0.00 0.00 178.00 177.63 1o8r n ILE 46 N -4.74 0.00 -3.25 -3.56 5.41 -1.26 -5.01 119.36 106.95 1o8r n ILE 46 Ca 0.01 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 1o8r n ILE 46 Cb 0.06 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.91 1o8r n ILE 46 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1o8r n LEU 47 N -1.45 -0.96 -1.56 1.39 4.77 -1.26 -5.10 117.00 112.82 1o8r n LEU 47 Ca 0.00 -4.15 0.00 0.00 -0.03 0.00 0.00 56.01 51.83 1o8r n LEU 47 Cb 0.00 0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1o8r n LEU 47 CO 0.00 1.90 -0.41 0.00 -1.33 0.00 0.00 177.39 177.56 1o8r n SER 49 N -1.61 0.00 -4.62 0.00 7.64 -1.26 -4.61 113.62 109.16 1o8r n SER 49 Ca 0.00 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 1o8r n SER 49 Cb 0.18 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1o8r n SER 49 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1o8r s ASN 50 N -3.18 6.64 0.07 6.43 0.02 -1.26 -4.86 114.94 118.80 1o8r s ASN 50 Ca 0.00 1.03 0.07 0.00 -1.02 0.00 0.00 52.86 52.93 1o8r s ASN 50 Cb 0.00 -2.54 0.33 0.00 0.02 0.00 0.00 41.25 39.06 1o8r s ASN 50 CO 0.00 -1.14 1.21 -2.65 0.02 0.00 0.00 177.10 174.53 1o8r n PRO 51 N 7.47 0.03 -1.69 -0.60 -0.02 -1.26 -1.92 135.00 137.01 1o8r n PRO 51 Ca 0.14 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 62.10 1o8r n PRO 51 Cb 0.47 -1.60 0.08 0.00 -0.02 0.00 0.00 33.50 32.43 1o8r n PRO 51 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1o8r n ASN 52 N -1.67 2.14 -3.06 2.55 5.15 -1.26 -5.04 115.26 114.07 1o8r n ASN 52 Ca 0.00 -2.87 -0.16 0.00 -0.60 0.00 0.00 54.58 50.95 1o8r n ASN 52 Cb 0.03 -0.41 0.11 0.00 -0.53 0.00 0.00 39.78 38.99 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 -0.43 -3.99 -0.99 1.20 -1.74 -0.81 -4.79 117.46 105.91 1o8r n PHE 53 Ca 0.18 -0.66 -0.28 0.00 -0.56 0.00 0.00 57.45 56.12 1o8r n PHE 53 Cb 0.91 -0.57 -0.11 0.00 1.52 0.00 0.00 39.48 41.23 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 -2.56 0.04 -0.42 3.97 -0.01 -1.26 -4.67 135.00 130.08 1o8r n PRO 54 Ca 0.09 -1.21 0.35 0.00 -0.01 0.00 0.00 63.50 62.72 1o8r n PRO 54 Cb 0.32 -2.98 0.63 0.00 -0.01 0.00 0.00 33.50 31.46 1o8r n PRO 54 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1o8r h GLU 55 N 10.52 0.09 0.00 -0.52 4.81 -1.95 2.43 114.58 129.96 1o8r h GLU 55 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1o8r h GLU 55 Cb 0.83 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1o8r h GLU 55 CO 1.50 0.06 0.33 0.93 -0.73 0.00 0.00 179.01 181.11 1o8r h GLU 56 N 0.10 0.00 -0.62 1.92 5.08 -1.93 1.94 114.58 121.07 1o8r h GLU 56 Ca 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 1o8r h GLU 56 Cb 2.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.70 1o8r h GLU 56 CO -0.48 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.81 1o8r n LEU 57 N -2.63 3.59 -0.37 1.33 4.32 0.82 -4.54 117.00 119.52 1o8r n LEU 57 Ca -0.02 -1.81 0.02 0.00 -0.02 0.00 0.00 56.01 54.18 1o8r n LEU 57 Cb 0.37 -0.49 0.08 0.00 -1.62 0.00 0.00 43.42 41.76 1o8r n LEU 57 CO 0.11 0.61 0.62 0.11 -1.22 0.00 0.00 177.39 177.62 1o8r h LYS 58 N 2.97 -0.00 -0.79 3.23 1.79 0.30 0.66 116.57 124.72 1o8r h LYS 58 Ca 0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1o8r h LYS 58 Cb 1.13 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.69 1o8r h LYS 58 CO 0.17 -0.00 0.39 -1.35 -1.08 0.00 0.00 179.45 177.58 1o8r h PRO 59 N -0.00 0.58 -0.78 3.15 0.10 -1.82 0.81 132.00 134.03 1o8r h PRO 59 Ca 0.40 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 66.47 1o8r h PRO 59 Cb 0.65 -0.13 -0.04 0.00 0.10 0.00 0.00 31.00 31.59 1o8r h PRO 59 CO -1.00 0.38 0.51 -0.07 0.10 0.00 0.00 178.00 177.92 1o8r h LEU 60 N 0.60 0.91 -1.06 2.35 3.38 -0.04 0.48 115.31 121.94 1o8r h LEU 60 Ca 0.42 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.26 1o8r h LEU 60 Cb 0.55 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1o8r h LEU 60 CO -0.34 0.67 -0.44 0.00 0.09 0.00 0.00 178.44 178.43 1o8r n LYS 62 N -4.01 1.44 -3.33 0.00 4.81 -0.59 -4.63 118.16 111.84 1o8r n LYS 62 Ca -0.02 -0.83 -0.38 0.00 -0.87 0.00 0.00 58.31 56.21 1o8r n LYS 62 Cb 0.48 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.98 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1o8r s GLU 63 N -2.14 4.15 0.65 1.64 2.02 0.06 -4.94 118.70 120.14 1o8r s GLU 63 Ca 0.34 0.62 0.42 0.00 0.02 0.00 0.00 54.97 56.37 1o8r s GLU 63 Cb 0.21 -3.27 2.29 0.00 0.10 0.00 0.00 34.13 33.46 1o8r s GLU 63 CO 0.38 0.57 2.34 -1.35 0.02 0.00 0.00 175.26 177.22 1o8r h PRO 64 N 4.96 0.00 -0.01 0.39 0.10 -1.89 0.50 132.00 136.05 1o8r h PRO 64 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1o8r h PRO 64 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1o8r h PRO 64 CO 0.65 0.00 -0.13 0.09 0.10 0.00 0.00 178.00 178.71 1o8r n ASN 65 N -3.19 1.38 -0.38 -2.05 3.02 -1.26 -4.21 115.26 108.57 1o8r n ASN 65 Ca -0.03 -1.25 0.30 0.00 -0.03 0.00 0.00 54.58 53.57 1o8r n ASN 65 Cb 0.09 0.08 0.59 0.00 -0.61 0.00 0.00 39.78 39.93 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o8r h ALA 66 N 4.06 2.54 -0.49 5.41 0.00 -0.96 0.50 119.26 130.32 1o8r h ALA 66 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1o8r h ALA 66 Cb 0.54 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1o8r h ALA 66 CO 0.00 -1.03 0.28 1.96 0.00 0.00 0.00 179.25 180.47 1o8r h GLN 67 N 0.23 0.55 0.23 0.00 4.20 -1.77 0.11 115.11 118.66 1o8r h GLN 67 Ca 0.69 -0.03 -0.30 0.00 0.06 0.00 0.00 58.65 59.06 1o8r h GLN 67 Cb 2.04 -0.12 0.03 0.00 0.30 0.00 0.00 27.48 29.72 1o8r h GLN 67 CO -0.32 0.36 -1.32 0.93 -0.67 0.00 0.00 178.83 177.82 1o8r h GLU 68 N 0.57 0.48 -0.51 1.46 5.08 -0.50 -3.33 114.58 117.83 1o8r h GLU 68 Ca 0.20 -0.82 0.04 0.00 -1.00 0.00 0.00 59.36 57.79 1o8r h GLU 68 Cb 0.04 0.30 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1o8r h GLU 68 CO -0.10 1.39 0.27 0.82 -1.00 0.00 0.00 179.01 180.39 1o8r h ILE 69 N 0.01 0.98 -0.46 3.13 2.04 -0.40 -2.81 117.51 119.99 1o8r h ILE 69 Ca -0.23 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1o8r h ILE 69 Cb 2.03 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 1o8r h ILE 69 CO 0.24 0.10 -0.50 0.25 0.00 0.00 0.00 178.15 178.23 1o8r h LEU 70 N 0.53 -1.69 -0.29 1.44 7.12 -0.88 -0.04 115.31 121.50 1o8r h LEU 70 Ca 0.22 0.24 0.06 0.00 0.13 0.00 0.00 57.88 58.53 1o8r h LEU 70 Cb 0.11 0.72 -0.08 0.00 -0.53 0.00 0.00 40.66 40.88 1o8r h LEU 70 CO -0.14 -0.38 -0.39 1.56 -0.13 0.00 0.00 178.44 178.96 1o8r h GLN 71 N -0.34 -0.36 -0.43 1.25 4.20 -1.62 -0.81 115.11 117.01 1o8r h GLN 71 Ca 0.11 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.94 1o8r h GLN 71 Cb 0.58 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.35 1o8r h GLN 71 CO -0.62 -0.24 -0.25 0.00 -0.67 0.00 0.00 178.83 177.05 1o8r h ARG 72 N -0.37 -0.16 -0.43 1.46 3.08 -1.12 -0.50 114.38 116.33 1o8r h ARG 72 Ca 0.12 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.27 1o8r h ARG 72 Cb 0.58 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 1o8r h ARG 72 CO -0.49 -0.11 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.13 1o8r h LEU 73 N -0.17 -0.39 -0.15 3.04 3.38 0.12 -1.03 115.31 120.11 1o8r h LEU 73 Ca 0.20 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.35 1o8r h LEU 73 Cb 0.49 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1o8r h LEU 73 CO -0.53 -0.14 -0.28 -0.33 0.09 0.00 0.00 178.44 177.25 1o8r h GLU 74 N 0.00 -0.33 0.25 1.13 5.08 0.22 0.61 114.58 121.54 1o8r h GLU 74 Ca 0.21 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1o8r h GLU 74 Cb 0.32 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1o8r h GLU 74 CO -0.44 -0.22 -0.33 1.49 -1.00 0.00 0.00 179.01 178.51 1o8r h GLU 75 N -0.35 -0.61 -0.88 2.33 4.81 -0.56 -2.00 114.58 117.32 1o8r h GLU 75 Ca 0.10 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1o8r h GLU 75 Cb 0.51 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1o8r h GLU 75 CO -0.34 -0.41 0.56 0.82 -0.73 0.00 0.00 179.01 178.91 1o8r h ILE 76 N -0.63 1.12 -0.93 2.32 1.08 -0.87 -0.99 117.51 118.62 1o8r h ILE 76 Ca -0.00 -0.37 0.18 0.00 -0.39 0.00 0.00 64.86 64.28 1o8r h ILE 76 Cb 0.61 -0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 1o8r h ILE 76 CO -0.11 0.20 0.60 0.00 -0.69 0.00 0.00 178.15 178.14 1o8r h ALA 77 N 1.37 1.92 -0.48 1.87 0.00 0.80 -0.16 119.26 124.58 1o8r h ALA 77 Ca 0.36 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1o8r h ALA 77 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1o8r h ALA 77 CO -0.13 -0.21 0.19 1.49 0.00 0.00 0.00 179.25 180.58 1o8r h GLU 78 N 0.62 0.72 -4.29 0.00 4.81 -0.47 -3.42 114.58 112.54 1o8r h GLU 78 Ca 0.49 -0.13 -0.29 0.00 -0.13 0.00 0.00 59.36 59.30 1o8r h GLU 78 Cb 0.93 -0.12 -0.26 0.00 0.63 0.00 0.00 28.75 29.93 1o8r h GLU 78 CO -0.24 0.65 -0.74 0.34 -0.73 0.00 0.00 179.01 178.29 1o8r s ASP 79 N -5.96 0.58 0.12 1.04 2.15 -0.07 -3.99 116.67 110.54 1o8r s ASP 79 Ca -0.13 -0.23 -0.19 0.00 0.43 0.00 0.00 52.55 52.42 1o8r s ASP 79 Cb 0.11 -0.02 -0.05 0.00 -0.30 0.00 0.00 42.92 42.66 1o8r s ASP 79 CO 0.77 -0.04 1.77 -0.65 -0.17 0.00 0.00 175.17 176.85 1o8r h PRO 80 N 5.53 0.24 0.00 4.34 0.10 -1.86 -3.41 132.00 136.94 1o8r h PRO 80 Ca -0.30 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.79 1o8r h PRO 80 Cb 1.20 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1o8r h PRO 80 CO 0.47 0.16 0.00 0.41 0.10 0.00 0.00 178.00 179.14 1o8r n GLY 81 N -1.16 0.40 0.18 -0.55 0.00 -1.26 -3.19 105.19 99.61 1o8r n GLY 81 Ca -0.03 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 0.71 -0.44 2.61 1.35 -1.97 -3.29 112.91 111.87 1o8r h THR 82 Ca 0.00 -1.68 0.08 0.00 -0.55 0.00 0.00 66.41 64.26 1o8r h THR 82 Cb 0.00 2.11 -0.10 0.00 -1.73 0.00 0.00 68.15 68.43 1o8r h THR 82 CO 0.00 0.35 -0.34 0.00 -0.25 0.00 0.00 175.52 175.28 1o8r h GLU 84 N -0.25 0.87 -0.27 0.00 4.81 -1.73 -1.34 114.58 116.68 1o8r h GLU 84 Ca 0.18 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1o8r h GLU 84 Cb 0.55 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1o8r h GLU 84 CO -0.57 0.60 0.00 0.44 -0.73 0.00 0.00 179.01 178.74 1o8r n ILE 85 N -4.42 0.35 -1.38 2.32 -5.35 -0.19 -4.87 119.36 105.84 1o8r n ILE 85 Ca 0.07 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 1o8r n ILE 85 Cb 0.06 0.16 -0.06 0.00 -1.74 0.00 0.00 39.64 38.06 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 0.53 2.42 -2.64 0.00 0.00 -0.98 -4.83 120.51 115.01 1o8r n ALA 87 Ca -0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1o8r n ALA 87 Cb 0.44 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.47 0.50 -2.00 0.00 5.04 -1.26 -5.01 117.35 112.15 1o8r s TYR 88 Ca 0.29 -0.85 0.15 0.00 -2.44 0.00 0.00 57.07 54.22 1o8r s TYR 88 Cb 0.19 -0.12 0.87 0.00 0.35 0.00 0.00 41.96 43.25 1o8r s TYR 88 CO 0.41 -0.71 1.39 0.00 -1.34 0.00 0.00 175.55 175.30 1o8r n ALA 89 N -0.21 2.34 0.13 3.97 0.00 -1.26 -3.50 120.51 121.98 1o8r n ALA 89 Ca -0.06 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1o8r n ALA 89 Cb 0.63 -1.24 0.45 0.00 0.00 0.00 0.00 19.45 19.30 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 3.11 1.65 -3.04 0.00 0.00 -1.93 -3.40 119.26 115.65 1o8r h ALA 90 Ca 0.00 -0.13 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 1o8r h ALA 90 Cb 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.48 1o8r h ALA 90 CO 0.00 0.26 -0.65 0.00 0.00 0.00 0.00 179.25 178.85 1o8r s THR 92 N 1.29 4.50 0.00 0.00 -4.23 -0.85 -4.43 115.64 111.93 1o8r s THR 92 Ca 0.04 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1o8r s THR 92 Cb -0.15 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1o8r s THR 92 CO 0.02 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1o8r n GLY 93 N 0.45 0.17 0.00 3.99 0.00 -1.26 -3.44 105.19 105.09 1o8r n GLY 93 Ca -0.09 0.00 0.00 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