#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 1.32 -0.30 1.55 2.01 -0.98 -4.87 115.64 114.37 1o8r s THR 2 Ca 0.00 -1.70 -0.26 0.00 0.31 0.00 0.00 61.69 60.04 1o8r s THR 2 Cb 0.00 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1o8r s THR 2 CO 0.00 -0.41 0.90 -0.69 -0.69 0.00 0.00 174.62 173.73 1o8r s VAL 3 N -2.11 4.69 -0.15 3.82 1.01 -0.23 -0.00 120.40 127.43 1o8r s VAL 3 Ca 0.08 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 1o8r s VAL 3 Cb -0.05 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1o8r s VAL 3 CO 0.03 -0.31 -0.08 -1.58 0.00 0.00 0.00 175.10 173.16 1o8r s GLN 4 N 3.20 3.50 -0.01 2.72 0.74 -0.75 0.27 119.66 129.33 1o8r s GLN 4 Ca 0.38 -0.61 0.07 0.00 0.05 0.00 0.00 55.36 55.25 1o8r s GLN 4 Cb -0.14 -2.81 0.20 0.00 1.10 0.00 0.00 33.01 31.37 1o8r s GLN 4 CO 0.13 0.16 1.16 -0.25 -0.55 0.00 0.00 175.29 175.94 1o8r n ASP 5 N 3.73 2.61 0.00 6.67 8.00 -1.25 -4.81 116.55 131.49 1o8r n ASP 5 Ca -0.18 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.28 1o8r n ASP 5 Cb 0.52 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o8r n GLY 6 N 0.09 1.49 0.16 0.44 0.00 -1.26 -4.96 105.19 101.15 1o8r n GLY 6 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.46 -4.27 1.61 3.02 -1.26 -4.79 115.26 110.02 1o8r n ASN 7 Ca 0.00 -1.80 -0.26 0.00 -0.03 0.00 0.00 54.58 52.49 1o8r n ASN 7 Cb 0.00 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.91 1.89 -0.20 3.10 0.40 -1.26 -5.11 117.98 114.88 1o8r s PHE 8 Ca 0.15 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.90 1o8r s PHE 8 Cb 0.07 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 1o8r s PHE 8 CO 0.11 0.12 0.56 -1.12 0.70 0.00 0.00 175.22 175.59 1o8r s SER 9 N -1.31 6.60 -0.20 1.36 0.01 -1.26 -3.93 113.70 114.97 1o8r s SER 9 Ca 0.08 0.73 -0.04 0.00 1.31 0.00 0.00 55.95 58.03 1o8r s SER 9 Cb -0.09 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1o8r s SER 9 CO 0.02 -0.23 -0.04 -0.36 0.41 0.00 0.00 173.24 173.05 1o8r s PHE 10 N 1.80 2.97 0.78 2.43 0.08 0.14 -4.96 117.98 121.23 1o8r s PHE 10 Ca 0.26 -0.72 -0.13 0.00 0.12 0.00 0.00 56.93 56.46 1o8r s PHE 10 Cb -0.16 -2.06 0.07 0.00 -0.57 0.00 0.00 43.02 40.30 1o8r s PHE 10 CO 0.10 -0.39 1.18 -1.12 -0.10 0.00 0.00 175.22 174.90 1o8r s SER 11 N 1.15 3.86 -0.02 1.36 0.01 -1.26 -1.07 113.70 117.73 1o8r s SER 11 Ca 0.02 2.27 0.22 0.00 1.31 0.00 0.00 55.95 59.77 1o8r s SER 11 Cb -0.15 -2.58 -0.29 0.00 0.21 0.00 0.00 66.02 63.22 1o8r s SER 11 CO -0.00 -2.48 0.52 -0.11 0.41 0.00 0.00 173.24 171.57 1o8r n LEU 12 N -3.20 0.11 0.21 2.44 7.94 -1.26 -4.33 117.00 118.92 1o8r n LEU 12 Ca 0.13 0.04 -0.08 0.00 -1.11 0.00 0.00 56.01 54.99 1o8r n LEU 12 Cb 0.51 0.03 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 1o8r n LEU 12 CO 0.48 0.02 0.46 -0.33 -1.11 0.00 0.00 177.39 176.91 1o8r h GLU 13 N 0.00 -0.53 -0.72 1.96 5.08 -1.95 -0.53 114.58 117.89 1o8r h GLU 13 Ca -0.05 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 1o8r h GLU 13 Cb 1.11 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 1o8r h GLU 13 CO 0.00 -0.35 -0.06 0.77 -1.00 0.00 0.00 179.01 178.37 1o8r h SER 14 N -0.60 -0.45 -0.48 1.42 0.02 -1.94 0.86 113.55 112.38 1o8r h SER 14 Ca -0.06 0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1o8r h SER 14 Cb 0.42 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1o8r h SER 14 CO 0.09 -0.19 0.29 -0.37 -1.14 0.00 0.00 176.83 175.51 1o8r h VAL 15 N 0.07 1.15 0.50 2.27 -1.51 -1.74 1.77 116.25 118.75 1o8r h VAL 15 Ca 0.38 -0.33 -0.02 0.00 -1.23 0.00 0.00 66.70 65.49 1o8r h VAL 15 Cb 0.63 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 1o8r h VAL 15 CO -0.67 0.15 -0.31 0.50 -1.23 0.00 0.00 177.57 176.01 1o8r h LYS 16 N 0.64 -0.74 -0.01 5.19 3.11 0.77 -0.31 116.57 125.22 1o8r h LYS 16 Ca 0.17 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1o8r h LYS 16 Cb -0.01 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1o8r h LYS 16 CO -0.03 -0.49 0.00 1.17 -2.81 0.00 0.00 179.45 177.29 1o8r n LYS 17 N -5.44 1.03 -0.33 1.90 4.81 0.04 -3.95 118.16 116.22 1o8r n LYS 17 Ca -0.12 -0.04 0.13 0.00 -0.87 0.00 0.00 58.31 57.42 1o8r n LYS 17 Cb 0.34 -1.08 0.35 0.00 0.02 0.00 0.00 35.03 34.66 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1o8r h LEU 18 N 0.07 0.72 -0.54 3.14 5.85 0.46 0.06 115.31 125.06 1o8r h LEU 18 Ca 0.00 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1o8r h LEU 18 Cb 0.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1o8r h LEU 18 CO 0.00 0.30 0.28 0.50 -0.34 0.00 0.00 178.44 179.18 1o8r h LYS 19 N 0.72 0.53 -4.92 1.25 3.64 -1.74 -3.37 116.57 112.68 1o8r h LYS 19 Ca 0.53 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 59.21 1o8r h LYS 19 Cb 0.87 -0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 32.40 1o8r h LYS 19 CO -0.30 0.35 -0.31 0.34 -2.27 0.00 0.00 179.45 177.26 1o8r s ASP 20 N -5.52 6.17 -0.16 4.20 2.15 0.01 -5.06 116.67 118.45 1o8r s ASP 20 Ca -0.13 -0.28 -0.12 0.00 0.43 0.00 0.00 52.55 52.45 1o8r s ASP 20 Cb 0.14 -2.19 -0.05 0.00 -0.30 0.00 0.00 42.92 40.52 1o8r s ASP 20 CO 0.74 -0.34 0.24 -0.22 -0.17 0.00 0.00 175.17 175.42 1o8r s LEU 21 N 1.99 4.25 0.07 -1.34 2.96 -1.26 -4.87 118.68 120.48 1o8r s LEU 21 Ca 0.11 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1o8r s LEU 21 Cb -0.17 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1o8r s LEU 21 CO 0.12 0.15 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.99 1o8r s GLN 22 N 0.30 1.19 0.16 1.98 -0.21 -1.26 -5.04 119.66 116.77 1o8r s GLN 22 Ca 0.14 -1.04 -0.22 0.00 0.02 0.00 0.00 55.36 54.26 1o8r s GLN 22 Cb -0.12 -1.37 0.04 0.00 1.00 0.00 0.00 33.01 32.56 1o8r s GLN 22 CO 0.02 0.33 1.62 1.49 -2.12 0.00 0.00 175.29 176.64 1o8r h GLU 23 N 4.44 -0.23 -6.50 2.91 4.81 -2.00 -3.39 114.58 114.62 1o8r h GLU 23 Ca -0.44 0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.28 1o8r h GLU 23 Cb 1.17 0.05 0.04 0.00 0.63 0.00 0.00 28.75 30.64 1o8r h GLU 23 CO 0.41 -0.16 1.12 -1.25 -0.73 0.00 0.00 179.01 178.41 1o8r s PRO 24 N -6.07 4.14 0.19 0.92 0.04 -1.26 -4.89 135.00 128.07 1o8r s PRO 24 Ca -0.15 2.60 -0.10 0.00 0.04 0.00 0.00 61.00 63.39 1o8r s PRO 24 Cb 0.13 -3.65 0.10 0.00 0.04 0.00 0.00 34.50 31.12 1o8r s PRO 24 CO 0.68 -0.85 1.71 0.37 0.04 0.00 0.00 177.00 178.95 1o8r h GLN 25 N 8.78 1.04 0.00 4.56 4.15 -1.99 -3.43 115.11 128.22 1o8r h GLN 25 Ca -0.46 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 58.72 1o8r h GLN 25 Cb 1.22 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1o8r h GLN 25 CO 0.95 0.92 0.00 -1.91 -1.93 0.00 0.00 178.83 176.85 1o8r n GLU 26 N -4.32 0.00 0.18 1.69 2.13 -1.26 -4.99 120.64 114.07 1o8r n GLU 26 Ca 0.04 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.92 1o8r n GLU 26 Cb 0.23 0.00 0.50 0.00 0.27 0.00 0.00 31.44 32.44 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 0.00 0.13 -4.51 5.31 0.14 -2.00 -3.44 132.00 127.63 1o8r h PRO 27 Ca 0.00 -0.02 -0.19 0.00 0.14 0.00 0.00 66.00 65.93 1o8r h PRO 27 Cb 0.00 -0.02 -0.15 0.00 0.14 0.00 0.00 31.00 30.97 1o8r h PRO 27 CO 0.00 0.20 -0.69 1.03 0.14 0.00 0.00 178.00 178.68 1o8r s ARG 28 N -4.89 0.75 -0.10 0.86 0.52 -1.26 -5.15 118.95 109.68 1o8r s ARG 28 Ca -0.05 -1.27 0.03 0.00 -0.52 0.00 0.00 55.73 53.91 1o8r s ARG 28 Cb 0.16 -0.07 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 1o8r s ARG 28 CO 0.70 -0.05 -0.18 0.08 0.02 0.00 0.00 175.30 175.87 1o8r s VAL 29 N -3.63 2.59 -0.09 3.52 1.01 -1.26 -5.11 120.40 117.44 1o8r s VAL 29 Ca 0.09 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1o8r s VAL 29 Cb 0.06 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1o8r s VAL 29 CO -0.06 0.55 0.29 -0.83 0.00 0.00 0.00 175.10 175.05 1o8r s GLY 30 N 0.11 2.30 0.28 4.51 0.00 -1.26 -4.98 107.32 108.28 1o8r s GLY 30 Ca -0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 1o8r s GLY 30 CO 0.06 0.09 1.94 0.50 0.00 0.00 0.00 173.10 175.69 1o8r h LYS 31 N 5.44 1.14 -6.13 2.90 1.57 -2.08 -3.41 116.57 115.99 1o8r h LYS 31 Ca -0.49 -0.07 -0.69 0.00 -1.87 0.00 0.00 60.65 57.53 1o8r h LYS 31 Cb 1.20 -0.26 -0.30 0.00 0.08 0.00 0.00 32.23 32.96 1o8r h LYS 31 CO 0.65 0.76 -0.87 -0.51 -0.57 0.00 0.00 179.45 178.91 1o8r s LEU 32 N -10.01 2.18 -0.07 2.94 1.43 -1.26 -5.12 118.68 108.78 1o8r s LEU 32 Ca -0.12 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1o8r s LEU 32 Cb 0.18 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 45.00 1o8r s LEU 32 CO 0.80 0.27 -0.19 -0.13 0.23 0.00 0.00 176.35 177.33 1o8r s ARG 33 N -0.29 2.23 0.11 1.70 1.81 -1.26 -5.12 118.95 118.13 1o8r s ARG 33 Ca 0.01 -0.67 -0.25 0.00 -1.72 0.00 0.00 55.73 53.09 1o8r s ARG 33 Cb -0.13 -1.81 0.07 0.00 -0.45 0.00 0.00 34.95 32.64 1o8r s ARG 33 CO 0.02 0.17 0.82 0.54 -0.68 0.00 0.00 175.30 176.18 1o8r s ASN 34 N 0.29 -0.35 0.10 0.23 2.20 -1.25 -4.07 114.94 112.11 1o8r s ASN 34 Ca -0.12 -0.19 -0.26 0.00 -0.94 0.00 0.00 52.86 51.36 1o8r s ASN 34 Cb -0.15 0.51 0.08 0.00 -2.00 0.00 0.00 41.25 39.69 1o8r s ASN 34 CO 0.05 -0.87 1.10 0.12 -2.94 0.00 0.00 177.10 174.56 1o8r s PHE 35 N -3.41 -0.03 1.00 1.54 5.36 -1.20 -4.96 117.98 116.28 1o8r s PHE 35 Ca 0.07 -0.24 -0.14 0.00 -0.96 0.00 0.00 56.93 55.66 1o8r s PHE 35 Cb -0.02 0.63 0.15 0.00 -0.34 0.00 0.00 43.02 43.44 1o8r s PHE 35 CO -0.05 -0.66 0.25 0.00 -1.46 0.00 0.00 175.22 173.30 1o8r n ALA 36 N -0.59 -0.91 -1.67 11.12 0.00 -1.26 -4.56 120.51 122.63 1o8r n ALA 36 Ca -0.05 -1.03 -0.16 0.00 0.00 0.00 0.00 53.44 52.20 1o8r n ALA 36 Cb 0.61 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 1o8r n ALA 36 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1o8r s PRO 37 N -3.40 1.41 0.16 0.00 0.02 -1.26 -4.72 135.00 127.21 1o8r s PRO 37 Ca 0.36 -0.38 -0.10 0.00 0.02 0.00 0.00 61.00 60.90 1o8r s PRO 37 Cb -0.06 -4.99 0.01 0.00 0.02 0.00 0.00 34.50 29.49 1o8r s PRO 37 CO 0.35 -5.15 1.56 0.82 -0.33 0.00 0.00 177.00 174.26 1o8r h ILE 38 N 6.80 1.27 -4.03 2.83 5.03 -1.81 -3.44 117.51 124.15 1o8r h ILE 38 Ca 0.04 -1.34 -0.53 0.00 -0.12 0.00 0.00 64.86 62.90 1o8r h ILE 38 Cb 0.99 1.08 0.10 0.00 -3.03 0.00 0.00 36.82 35.97 1o8r h ILE 38 CO 1.04 0.47 0.55 -2.84 -0.68 0.00 0.00 178.15 176.69 1o8r s PRO 39 N -4.73 3.40 0.00 2.37 0.02 -1.26 -3.79 135.00 131.01 1o8r s PRO 39 Ca -0.11 2.02 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1o8r s PRO 39 Cb 0.12 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1o8r s PRO 39 CO 0.87 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 1o8r n GLY 40 N 0.60 1.04 2.25 0.52 0.00 -1.26 -5.02 105.19 103.31 1o8r n GLY 40 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.07 0.92 -1.83 1.61 0.28 -1.25 -5.11 120.64 114.19 1o8r n GLU 41 Ca 0.00 -3.43 -0.38 0.00 -0.16 0.00 0.00 57.16 53.20 1o8r n GLU 41 Cb 0.00 -1.40 0.04 0.00 1.43 0.00 0.00 31.44 31.51 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 -1.25 3.02 -0.49 3.44 0.02 -1.26 -4.99 135.00 133.49 1o8r s PRO 42 Ca 0.35 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.55 1o8r s PRO 42 Cb 0.15 -2.13 0.23 0.00 0.02 0.00 0.00 34.50 32.77 1o8r s PRO 42 CO -0.11 -1.25 0.82 1.55 -0.33 0.00 0.00 177.00 177.68 1o8r n VAL 43 N -1.28 -0.07 -3.48 3.83 3.14 -1.26 -5.05 118.33 114.17 1o8r n VAL 43 Ca 0.12 -1.55 -0.27 0.00 -2.96 0.00 0.00 64.34 59.69 1o8r n VAL 43 Cb 0.47 1.11 -0.09 0.00 -1.06 0.00 0.00 33.84 34.27 1o8r n VAL 43 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1o8r n VAL 44 N 2.00 0.99 0.25 1.55 0.31 -1.26 -3.54 118.33 118.63 1o8r n VAL 44 Ca 0.12 -4.61 -0.16 0.00 -0.01 0.00 0.00 64.34 59.69 1o8r n VAL 44 Cb 0.60 -2.03 -0.08 0.00 -0.91 0.00 0.00 33.84 31.42 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1o8r h PRO 45 N 4.62 -0.56 0.00 5.55 0.10 -1.93 -3.47 132.00 136.32 1o8r h PRO 45 Ca 0.17 0.04 0.00 0.00 0.10 0.00 0.00 66.00 66.31 1o8r h PRO 45 Cb 0.77 0.13 0.00 0.00 0.10 0.00 0.00 31.00 31.99 1o8r h PRO 45 CO 0.66 -0.37 0.00 1.51 0.10 0.00 0.00 178.00 179.90 1o8r n ILE 46 N -5.33 0.00 -1.63 4.15 0.00 -1.26 -4.97 119.36 110.32 1o8r n ILE 46 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 62.75 62.36 1o8r n ILE 46 Cb 0.25 0.00 0.07 0.00 0.00 0.00 0.00 39.64 39.96 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1o8r n LEU 47 N -0.63 6.22 -2.02 9.51 7.94 -1.26 -4.76 117.00 131.99 1o8r n LEU 47 Ca 0.00 -4.42 0.00 0.00 -1.11 0.00 0.00 56.01 50.48 1o8r n LEU 47 Cb 0.00 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.27 1o8r n LEU 47 CO 0.00 1.71 -0.45 0.00 -1.11 0.00 0.00 177.39 177.54 1o8r h SER 49 N 3.97 -0.52 -3.66 0.00 4.64 -1.95 -3.39 113.55 112.63 1o8r h SER 49 Ca 0.00 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.74 1o8r h SER 49 Cb 0.00 0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.15 1o8r h SER 49 CO 0.00 -0.32 0.91 0.20 -0.87 0.00 0.00 176.83 176.75 1o8r s ASN 50 N -4.70 6.67 0.26 4.97 -0.87 -1.26 -4.87 114.94 115.13 1o8r s ASN 50 Ca -0.16 0.53 0.19 0.00 -1.57 0.00 0.00 52.86 51.84 1o8r s ASN 50 Cb 0.04 -2.55 0.96 0.00 -0.02 0.00 0.00 41.25 39.68 1o8r s ASN 50 CO 0.61 -1.20 1.57 -2.65 -2.57 0.00 0.00 177.10 172.86 1o8r n PRO 51 N 7.70 0.12 -1.48 -0.60 -0.02 -1.26 -2.07 135.00 137.40 1o8r n PRO 51 Ca 0.12 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 62.15 1o8r n PRO 51 Cb 0.49 -1.87 0.10 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.13 2.20 -4.34 2.55 3.02 -1.26 -5.03 115.26 110.27 1o8r n ASN 52 Ca -0.01 -3.09 -0.29 0.00 -0.03 0.00 0.00 54.58 51.16 1o8r n ASN 52 Cb 0.06 -0.42 0.16 0.00 -0.61 0.00 0.00 39.78 38.97 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 -2.56 1.95 -0.45 3.10 -0.71 -0.88 -4.79 117.98 113.63 1o8r s PHE 53 Ca 0.38 0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 56.45 1o8r s PHE 53 Cb 0.38 -3.94 -0.26 0.00 -1.21 0.00 0.00 43.02 37.99 1o8r s PHE 53 CO -0.07 -2.41 1.67 -2.30 -1.34 0.00 0.00 175.22 170.77 1o8r n PRO 54 N -3.63 0.04 -0.41 1.99 -0.01 -1.26 -4.64 135.00 127.07 1o8r n PRO 54 Ca 0.13 -1.12 0.37 0.00 -0.01 0.00 0.00 63.50 62.87 1o8r n PRO 54 Cb 0.60 -2.85 0.57 0.00 -0.01 0.00 0.00 33.50 31.81 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 7.37 0.01 0.25 -0.52 2.13 -1.26 0.23 120.64 128.84 1o8r n GLU 55 Ca 0.36 1.02 0.12 0.00 0.66 0.00 0.00 57.16 59.32 1o8r n GLU 55 Cb 0.43 -2.45 0.62 0.00 0.27 0.00 0.00 31.44 30.31 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 -0.52 5.31 5.08 -1.97 1.63 114.58 124.11 1o8r h GLU 56 Ca 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1o8r h GLU 56 Cb 3.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.44 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 -2.48 2.96 -0.36 1.33 4.77 0.62 -4.53 117.00 119.30 1o8r n LEU 57 Ca -0.02 -1.45 0.03 0.00 -0.03 0.00 0.00 56.01 54.55 1o8r n LEU 57 Cb 0.31 -0.35 0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1o8r n LEU 57 CO 0.10 0.72 0.62 1.17 -1.33 0.00 0.00 177.39 178.67 1o8r n LYS 58 N 1.12 -0.15 -0.31 3.23 4.81 0.55 0.13 118.16 127.55 1o8r n LYS 58 Ca 0.19 1.52 0.04 0.00 -0.87 0.00 0.00 58.31 59.19 1o8r n LYS 58 Cb 0.48 -2.26 0.19 0.00 0.02 0.00 0.00 35.03 33.45 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 0.80 -0.65 1.64 0.10 -1.81 -0.25 132.00 131.83 1o8r h PRO 59 Ca 0.42 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 66.47 1o8r h PRO 59 Cb 0.66 -0.18 -0.03 0.00 0.10 0.00 0.00 31.00 31.55 1o8r h PRO 59 CO -0.99 0.53 0.41 -0.07 0.10 0.00 0.00 178.00 177.97 1o8r h LEU 60 N 0.83 0.76 -1.35 2.35 3.38 0.69 -1.23 115.31 120.74 1o8r h LEU 60 Ca 0.42 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 1o8r h LEU 60 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1o8r h LEU 60 CO -0.26 0.57 -0.31 0.00 0.09 0.00 0.00 178.44 178.53 1o8r n LYS 62 N -3.92 3.64 -4.63 0.00 5.02 -0.52 -4.70 118.16 113.04 1o8r n LYS 62 Ca -0.02 -3.09 -0.32 0.00 -2.02 0.00 0.00 58.31 52.86 1o8r n LYS 62 Cb 0.38 -2.19 -0.12 0.00 -0.02 0.00 0.00 35.03 33.08 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 -3.01 2.38 0.41 1.97 8.01 -0.84 -5.00 118.70 122.61 1o8r s GLU 63 Ca 0.55 -0.80 0.10 0.00 0.01 0.00 0.00 54.97 54.82 1o8r s GLU 63 Cb 0.44 -2.37 0.86 0.00 -4.31 0.00 0.00 34.13 28.75 1o8r s GLU 63 CO 0.13 0.59 1.96 -1.00 0.01 0.00 0.00 175.26 176.95 1o8r h PRO 64 N 4.72 0.24 -0.05 0.39 0.14 -1.91 -1.39 132.00 134.13 1o8r h PRO 64 Ca -0.48 -0.04 0.00 0.00 0.14 0.00 0.00 66.00 65.62 1o8r h PRO 64 Cb 1.16 -0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.26 1o8r h PRO 64 CO 0.51 0.32 0.00 0.09 0.14 0.00 0.00 178.00 179.06 1o8r n ASN 65 N -4.33 1.11 -0.31 1.44 5.03 -1.26 -4.19 115.26 112.74 1o8r n ASN 65 Ca -0.01 -1.46 0.14 0.00 0.87 0.00 0.00 54.58 54.13 1o8r n ASN 65 Cb 0.22 -0.03 0.33 0.00 -1.02 0.00 0.00 39.78 39.28 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 4.12 1.48 -0.89 5.41 0.00 -1.38 0.45 119.26 128.44 1o8r h ALA 66 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1o8r h ALA 66 Cb 0.35 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1o8r h ALA 66 CO 0.00 -0.39 0.55 1.96 0.00 0.00 0.00 179.25 181.37 1o8r h GLN 67 N 0.36 0.92 0.14 0.00 4.20 -1.80 0.43 115.11 119.36 1o8r h GLN 67 Ca 0.58 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 58.95 1o8r h GLN 67 Cb 1.14 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.72 1o8r h GLN 67 CO -0.56 0.61 -1.26 0.93 -0.67 0.00 0.00 178.83 177.88 1o8r h GLU 68 N 0.95 0.31 -0.11 1.46 5.08 -0.60 -3.14 114.58 118.52 1o8r h GLU 68 Ca 0.41 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1o8r h GLU 68 Cb 0.28 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1o8r h GLU 68 CO -0.21 1.25 -0.03 0.82 -1.00 0.00 0.00 179.01 179.83 1o8r h ILE 69 N 0.09 1.30 -0.07 3.13 2.04 0.18 -2.95 117.51 121.22 1o8r h ILE 69 Ca -0.15 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 64.77 1o8r h ILE 69 Cb 1.99 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 39.75 1o8r h ILE 69 CO 0.21 0.28 -0.22 0.25 0.00 0.00 0.00 178.15 178.67 1o8r h LEU 70 N -0.12 -0.67 -0.45 1.44 7.12 -0.28 -2.09 115.31 120.26 1o8r h LEU 70 Ca 0.03 0.10 0.09 0.00 0.13 0.00 0.00 57.88 58.23 1o8r h LEU 70 Cb 0.45 0.29 -0.09 0.00 -0.53 0.00 0.00 40.66 40.78 1o8r h LEU 70 CO 0.01 -0.28 -0.18 1.56 -0.13 0.00 0.00 178.44 179.42 1o8r h GLN 71 N -0.31 -0.08 0.53 1.25 4.20 -1.56 -2.05 115.11 117.10 1o8r h GLN 71 Ca 0.08 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1o8r h GLN 71 Cb 0.43 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1o8r h GLN 71 CO -0.25 -0.05 -0.50 0.00 -0.67 0.00 0.00 178.83 177.36 1o8r h ARG 72 N -0.08 -0.98 -0.80 1.46 3.08 -1.26 -1.91 114.38 113.88 1o8r h ARG 72 Ca 0.22 0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.51 1o8r h ARG 72 Cb 0.42 0.22 -0.15 0.00 0.08 0.00 0.00 29.97 30.54 1o8r h ARG 72 CO -0.51 -0.65 -0.13 -0.07 -1.07 0.00 0.00 179.97 177.54 1o8r h LEU 73 N -1.02 -0.61 -2.12 3.04 3.38 -1.00 0.93 115.31 117.91 1o8r h LEU 73 Ca -0.06 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1o8r h LEU 73 Cb 0.88 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1o8r h LEU 73 CO -0.04 -0.25 -0.06 -0.33 0.09 0.00 0.00 178.44 177.85 1o8r h GLU 74 N 0.03 0.00 0.02 1.13 5.08 -0.98 0.67 114.58 120.52 1o8r h GLU 74 Ca 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1o8r h GLU 74 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1o8r h GLU 74 CO -0.79 0.06 -0.01 1.49 -1.00 0.00 0.00 179.01 178.77 1o8r h GLU 75 N 0.00 -0.02 -0.33 2.33 4.81 0.17 -1.84 114.58 119.69 1o8r h GLU 75 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1o8r h GLU 75 Cb 0.14 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1o8r h GLU 75 CO 0.01 0.54 -0.25 0.82 -0.73 0.00 0.00 179.01 179.40 1o8r h ILE 76 N -0.61 1.27 0.00 2.32 1.08 -1.13 -2.41 117.51 118.03 1o8r h ILE 76 Ca -0.00 -1.34 -0.03 0.00 -0.39 0.00 0.00 64.86 63.09 1o8r h ILE 76 Cb 0.58 1.29 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1o8r h ILE 76 CO 0.00 0.44 -0.15 0.00 -0.69 0.00 0.00 178.15 177.75 1o8r h ALA 77 N 1.14 1.67 -0.39 1.87 0.00 -0.88 -2.10 119.26 120.58 1o8r h ALA 77 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1o8r h ALA 77 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1o8r h ALA 77 CO 0.06 0.19 0.08 1.49 0.00 0.00 0.00 179.25 181.07 1o8r h GLU 78 N 0.00 0.57 -1.93 0.00 4.81 -0.80 -3.32 114.58 113.91 1o8r h GLU 78 Ca -0.00 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1o8r h GLU 78 Cb 0.28 -0.10 -0.20 0.00 0.63 0.00 0.00 28.75 29.36 1o8r h GLU 78 CO 0.02 0.53 0.23 0.34 -0.73 0.00 0.00 179.01 179.40 1o8r s ASP 79 N -6.70 -0.64 -1.00 1.04 -1.08 -0.79 -3.21 116.67 104.30 1o8r s ASP 79 Ca -0.08 0.88 -0.26 0.00 -0.52 0.00 0.00 52.55 52.57 1o8r s ASP 79 Cb 0.16 0.76 -0.17 0.00 -1.46 0.00 0.00 42.92 42.22 1o8r s ASP 79 CO 0.76 -0.47 2.16 -2.16 0.52 0.00 0.00 175.17 175.99 1o8r s PRO 80 N -0.72 1.58 0.00 4.34 0.05 -1.26 -4.66 135.00 134.33 1o8r s PRO 80 Ca -0.07 -0.25 0.00 0.00 0.05 0.00 0.00 61.00 60.74 1o8r s PRO 80 Cb -0.02 -4.96 0.00 0.00 0.05 0.00 0.00 34.50 29.57 1o8r s PRO 80 CO 0.06 -4.83 0.00 0.41 0.05 0.00 0.00 177.00 172.69 1o8r n GLY 81 N 6.36 -1.95 0.13 0.56 0.00 -1.26 -4.68 105.19 104.35 1o8r n GLY 81 Ca 0.43 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.42 2.61 1.35 -1.96 -3.34 112.91 111.15 1o8r h THR 82 Ca 0.00 -0.70 0.09 0.00 -0.55 0.00 0.00 66.41 65.25 1o8r h THR 82 Cb 0.00 1.56 -0.08 0.00 -1.73 0.00 0.00 68.15 67.89 1o8r h THR 82 CO 0.00 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.14 1o8r h GLU 84 N -0.03 0.63 -0.64 0.00 4.81 -1.84 -1.89 114.58 115.62 1o8r h GLU 84 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1o8r h GLU 84 Cb 0.34 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1o8r h GLU 84 CO -0.45 0.47 0.00 0.44 -0.73 0.00 0.00 179.01 178.74 1o8r n ILE 85 N -4.41 2.00 -1.13 2.32 -5.35 -0.31 -4.89 119.36 107.58 1o8r n ILE 85 Ca 0.04 -1.12 -0.09 0.00 -0.27 0.00 0.00 62.75 61.31 1o8r n ILE 85 Cb 0.10 -0.11 -0.04 0.00 -1.74 0.00 0.00 39.64 37.85 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 0.39 1.51 -2.30 0.00 0.00 -0.50 -4.76 120.51 114.85 1o8r n ALA 87 Ca -0.09 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1o8r n ALA 87 Cb 0.36 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.30 1.10 -2.00 0.00 5.04 -1.25 -5.01 117.35 111.92 1o8r s TYR 88 Ca 0.03 -1.32 0.14 0.00 -2.44 0.00 0.00 57.07 53.48 1o8r s TYR 88 Cb 0.08 -0.49 0.84 0.00 0.35 0.00 0.00 41.96 42.74 1o8r s TYR 88 CO 0.32 -0.68 1.38 0.00 -1.34 0.00 0.00 175.55 175.23 1o8r n ALA 89 N -0.29 2.37 -0.36 3.97 0.00 -1.26 -3.67 120.51 121.27 1o8r n ALA 89 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1o8r n ALA 89 Cb 0.65 -1.23 0.12 0.00 0.00 0.00 0.00 19.45 19.00 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 3.13 1.27 -3.22 0.00 0.00 -1.92 -3.41 119.26 115.11 1o8r h ALA 90 Ca 0.00 -0.06 -0.62 0.00 0.00 0.00 0.00 54.91 54.24 1o8r h ALA 90 Cb 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 17.79 17.26 1o8r h ALA 90 CO 0.00 0.57 -0.55 0.00 0.00 0.00 0.00 179.25 179.27 1o8r s THR 92 N 0.59 3.30 0.00 0.00 -4.23 1.00 -4.58 115.64 111.72 1o8r s THR 92 Ca 0.04 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1o8r s THR 92 Cb -0.13 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1o8r s THR 92 CO 0.01 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1o8r n GLY 93 N -1.31 0.34 0.00 3.99 0.00 -1.26 -2.31 105.19 104.63 1o8r n GLY 93 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32