#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 1.13 -0.35 2.52 -1.32 -1.26 -4.84 115.64 111.52 1o8r s THR 2 Ca 0.00 -2.02 -0.19 0.00 -1.21 0.00 0.00 61.69 58.27 1o8r s THR 2 Cb 0.00 -2.64 -0.00 0.00 -1.51 0.00 0.00 72.50 68.34 1o8r s THR 2 CO 0.00 -0.10 0.54 -0.69 -2.21 0.00 0.00 174.62 172.16 1o8r s VAL 3 N -3.35 4.99 -0.22 5.08 1.01 -0.26 -2.03 120.40 125.63 1o8r s VAL 3 Ca 0.34 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 1o8r s VAL 3 Cb 0.07 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1o8r s VAL 3 CO 0.13 -0.24 -0.02 -1.58 0.00 0.00 0.00 175.10 173.39 1o8r s GLN 4 N 2.47 3.45 0.00 2.72 0.74 -0.82 -1.95 119.66 126.26 1o8r s GLN 4 Ca 0.20 -0.59 0.24 0.00 0.05 0.00 0.00 55.36 55.26 1o8r s GLN 4 Cb -0.15 -3.05 0.36 0.00 1.10 0.00 0.00 33.01 31.27 1o8r s GLN 4 CO 0.14 -0.15 1.37 -0.40 -0.55 0.00 0.00 175.29 175.69 1o8r n ASP 5 N 4.69 3.35 0.00 6.67 5.68 -1.26 -4.82 116.55 130.87 1o8r n ASP 5 Ca -0.18 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1o8r n ASP 5 Cb 0.51 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o8r n GLY 6 N 1.47 1.93 0.11 6.12 0.00 -1.26 -4.97 105.19 108.58 1o8r n GLY 6 Ca 0.18 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 0.33 -4.55 1.61 3.02 -1.26 -4.78 115.26 109.63 1o8r n ASN 7 Ca 0.00 -1.23 -0.34 0.00 -0.03 0.00 0.00 54.58 52.98 1o8r n ASN 7 Cb 0.00 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.99 3.02 -0.12 3.10 0.08 -1.26 -5.09 117.98 115.73 1o8r s PHE 8 Ca 0.40 -0.13 -0.24 0.00 0.12 0.00 0.00 56.93 57.08 1o8r s PHE 8 Cb 0.19 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1o8r s PHE 8 CO 0.32 0.15 0.77 0.45 -0.10 0.00 0.00 175.22 176.80 1o8r s SER 9 N -0.18 6.97 -0.13 1.36 0.15 -1.26 -4.15 113.70 116.45 1o8r s SER 9 Ca 0.03 1.18 0.02 0.00 0.70 0.00 0.00 55.95 57.87 1o8r s SER 9 Cb -0.13 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1o8r s SER 9 CO 0.02 -0.26 -0.19 -0.36 1.20 0.00 0.00 173.24 173.65 1o8r s PHE 10 N 1.51 2.71 0.94 3.44 0.08 -0.82 -5.00 117.98 120.83 1o8r s PHE 10 Ca 0.38 -1.05 -0.14 0.00 0.12 0.00 0.00 56.93 56.24 1o8r s PHE 10 Cb -0.17 -1.82 0.16 0.00 -0.57 0.00 0.00 43.02 40.62 1o8r s PHE 10 CO 0.16 -0.45 1.19 -1.54 -0.10 0.00 0.00 175.22 174.48 1o8r s SER 11 N 0.62 3.32 0.00 1.36 1.04 -1.26 -1.10 113.70 117.69 1o8r s SER 11 Ca -0.10 0.71 0.21 0.00 0.48 0.00 0.00 55.95 57.26 1o8r s SER 11 Cb -0.16 -1.10 -0.07 0.00 0.10 0.00 0.00 66.02 64.79 1o8r s SER 11 CO 0.03 -2.64 1.00 0.18 0.98 0.00 0.00 173.24 172.79 1o8r n LEU 12 N -3.79 1.69 0.00 2.42 4.32 -1.26 -4.44 117.00 115.94 1o8r n LEU 12 Ca 0.10 -0.68 0.00 0.00 -0.02 0.00 0.00 56.01 55.40 1o8r n LEU 12 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1o8r n LEU 12 CO 0.53 0.33 0.17 -0.62 -1.22 0.00 0.00 177.39 176.58 1o8r n GLU 13 N -0.46 0.00 -0.29 3.23 1.02 -1.26 -1.61 120.64 121.26 1o8r n GLU 13 Ca 0.07 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.57 1o8r n GLU 13 Cb 0.42 -1.01 0.14 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.67 -0.39 1.62 0.02 -1.94 0.26 113.55 112.45 1o8r h SER 14 Ca 0.00 0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1o8r h SER 14 Cb 0.00 0.48 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1o8r h SER 14 CO 0.00 -0.27 0.23 -0.37 -1.14 0.00 0.00 176.83 175.28 1o8r h VAL 15 N 0.02 1.04 0.37 2.27 -1.51 -1.78 1.67 116.25 118.33 1o8r h VAL 15 Ca 0.43 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.73 1o8r h VAL 15 Cb 0.70 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 1o8r h VAL 15 CO -0.83 0.09 -0.26 0.50 -1.23 0.00 0.00 177.57 175.83 1o8r h LYS 16 N 0.47 -0.60 -0.16 5.19 3.64 0.41 0.16 116.57 125.68 1o8r h LYS 16 Ca 0.16 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1o8r h LYS 16 Cb 0.01 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1o8r h LYS 16 CO -0.07 -0.40 0.00 1.63 -2.27 0.00 0.00 179.45 178.34 1o8r n LYS 17 N -5.39 1.05 0.20 1.90 5.02 -0.05 -3.88 118.16 117.01 1o8r n LYS 17 Ca -0.10 -0.07 0.11 0.00 -2.02 0.00 0.00 58.31 56.23 1o8r n LYS 17 Cb 0.29 -1.09 0.67 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.00 -1.06 -0.35 6.46 0.46 -1.11 115.31 119.81 1o8r h LEU 18 Ca 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1o8r h LEU 18 Cb 0.10 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1o8r h LEU 18 CO 0.00 0.00 -0.10 0.11 -0.62 0.00 0.00 178.44 177.83 1o8r h LYS 19 N 0.00 0.55 -4.67 1.25 1.57 -1.74 -3.44 116.57 110.09 1o8r h LYS 19 Ca 0.06 -0.15 -0.37 0.00 -1.87 0.00 0.00 60.65 58.32 1o8r h LYS 19 Cb 0.24 -0.06 -0.27 0.00 0.08 0.00 0.00 32.23 32.22 1o8r h LYS 19 CO -0.00 0.65 -0.77 0.34 -0.57 0.00 0.00 179.45 179.10 1o8r s ASP 20 N -6.75 0.99 0.11 0.86 2.15 -0.42 -5.02 116.67 108.58 1o8r s ASP 20 Ca -0.08 -0.22 -0.23 0.00 0.43 0.00 0.00 52.55 52.45 1o8r s ASP 20 Cb 0.15 -0.09 -0.07 0.00 -0.30 0.00 0.00 42.92 42.61 1o8r s ASP 20 CO 0.78 0.06 0.70 -0.76 -0.17 0.00 0.00 175.17 175.78 1o8r s LEU 21 N -0.44 4.54 0.31 -1.34 2.01 -1.26 -4.78 118.68 117.72 1o8r s LEU 21 Ca 0.01 1.47 0.03 0.00 0.01 0.00 0.00 54.13 55.65 1o8r s LEU 21 Cb -0.04 -3.15 -0.05 0.00 0.01 0.00 0.00 46.19 42.96 1o8r s LEU 21 CO -0.00 0.19 0.11 -1.10 1.01 0.00 0.00 176.35 176.56 1o8r s GLN 22 N -0.89 1.59 0.16 1.70 -0.21 -1.26 -5.09 119.66 115.66 1o8r s GLN 22 Ca 0.34 -1.90 -0.32 0.00 0.02 0.00 0.00 55.36 53.51 1o8r s GLN 22 Cb -0.21 -0.41 -0.17 0.00 1.00 0.00 0.00 33.01 33.21 1o8r s GLN 22 CO 0.23 -0.34 0.82 0.39 -2.12 0.00 0.00 175.29 174.28 1o8r n GLU 23 N -0.61 0.36 -0.19 2.91 1.02 -1.26 -4.61 120.64 118.25 1o8r n GLU 23 Ca -0.01 0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 57.19 1o8r n GLU 23 Cb 0.66 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.69 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1o8r n PRO 24 N 1.23 0.51 -4.80 3.49 -0.02 -1.26 -4.78 135.00 129.37 1o8r n PRO 24 Ca 0.17 -0.74 -0.25 0.00 -2.02 0.00 0.00 63.50 60.66 1o8r n PRO 24 Cb 0.22 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 1o8r n PRO 24 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1o8r s GLN 25 N 4.66 1.43 -0.51 -0.52 -0.21 -1.26 -5.07 119.66 118.17 1o8r s GLN 25 Ca 0.11 -0.60 0.07 0.00 0.02 0.00 0.00 55.36 54.96 1o8r s GLN 25 Cb 0.03 -1.35 0.24 0.00 1.00 0.00 0.00 33.01 32.92 1o8r s GLN 25 CO -0.00 0.34 0.59 0.39 -2.12 0.00 0.00 175.29 174.49 1o8r n GLU 26 N 2.75 1.46 -1.85 2.91 4.71 -1.26 -5.09 120.64 124.27 1o8r n GLU 26 Ca -0.15 -3.88 -0.38 0.00 -0.01 0.00 0.00 57.16 52.73 1o8r n GLU 26 Cb 0.54 -1.74 0.03 0.00 -1.01 0.00 0.00 31.44 29.26 1o8r n GLU 26 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 1o8r s PRO 27 N -1.60 3.32 -0.16 3.49 0.02 -1.26 -5.01 135.00 133.80 1o8r s PRO 27 Ca 0.36 2.21 -0.02 0.00 0.02 0.00 0.00 61.00 63.57 1o8r s PRO 27 Cb 0.13 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 1o8r s PRO 27 CO -0.08 -1.04 -0.07 0.50 -0.33 0.00 0.00 177.00 175.97 1o8r s ARG 28 N -2.79 3.51 0.01 5.54 3.52 -1.26 -5.07 118.95 122.41 1o8r s ARG 28 Ca 0.69 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 1o8r s ARG 28 Cb -0.40 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 1o8r s ARG 28 CO 0.48 0.15 -0.04 0.54 -0.81 0.00 0.00 175.30 175.62 1o8r s VAL 29 N 0.56 0.25 0.54 7.11 0.11 -1.26 -5.01 120.40 122.71 1o8r s VAL 29 Ca -0.05 -0.48 0.29 0.00 -2.93 0.00 0.00 61.98 58.81 1o8r s VAL 29 Cb -0.15 -0.29 0.44 0.00 -1.53 0.00 0.00 36.38 34.86 1o8r s VAL 29 CO 0.03 -0.15 1.92 1.23 -3.33 0.00 0.00 175.10 174.80 1o8r h GLY 30 N 5.45 0.00 2.00 6.54 0.00 -2.07 0.67 103.07 115.65 1o8r h GLY 30 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1o8r h GLY 30 CO 0.46 0.00 -0.09 1.70 0.00 0.00 0.00 176.54 178.62 1o8r h LYS 31 N 0.00 0.00 0.00 4.80 3.64 -2.03 -3.48 116.57 119.50 1o8r h LYS 31 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1o8r h LYS 31 Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1o8r h LYS 31 CO -0.00 0.09 0.00 1.28 -2.27 0.00 0.00 179.45 178.54 1o8r n LEU 32 N -3.25 0.00 -4.24 5.20 4.77 0.23 -4.66 117.00 115.06 1o8r n LEU 32 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1o8r n LEU 32 Cb 0.33 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.25 1o8r n LEU 32 CO 0.29 -0.21 -0.56 -0.13 -1.33 0.00 0.00 177.39 175.45 1o8r s ARG 33 N 0.00 2.97 -0.18 3.23 0.52 -1.26 -4.92 118.95 119.31 1o8r s ARG 33 Ca 0.00 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1o8r s ARG 33 Cb 0.00 -2.29 0.07 0.00 0.52 0.00 0.00 34.95 33.26 1o8r s ARG 33 CO 0.00 0.22 0.15 1.21 0.02 0.00 0.00 175.30 176.90 1o8r s ASN 34 N 0.24 1.86 0.28 0.23 2.47 -1.26 -4.30 114.94 114.45 1o8r s ASN 34 Ca -0.16 -0.41 0.07 0.00 0.42 0.00 0.00 52.86 52.79 1o8r s ASN 34 Cb -0.17 0.05 -0.06 0.00 -1.45 0.00 0.00 41.25 39.62 1o8r s ASN 34 CO 0.08 -0.34 -0.07 0.12 -3.72 0.00 0.00 177.10 173.17 1o8r s PHE 35 N 2.23 1.98 0.07 0.43 5.36 -0.47 -4.96 117.98 122.60 1o8r s PHE 35 Ca 0.04 -0.66 -0.31 0.00 -0.96 0.00 0.00 56.93 55.05 1o8r s PHE 35 Cb -0.16 -1.10 -0.10 0.00 -0.34 0.00 0.00 43.02 41.33 1o8r s PHE 35 CO -0.10 0.33 1.92 0.00 -1.46 0.00 0.00 175.22 175.91 1o8r n ALA 36 N -0.58 1.81 -1.98 11.12 0.00 -1.26 -4.55 120.51 125.07 1o8r n ALA 36 Ca -0.06 0.25 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1o8r n ALA 36 Cb 0.63 -2.64 -0.06 0.00 0.00 0.00 0.00 19.45 17.38 1o8r n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1o8r s PRO 37 N 3.76 2.39 -0.62 0.00 0.05 -1.26 -4.82 135.00 134.49 1o8r s PRO 37 Ca 0.86 -0.34 0.06 0.00 0.05 0.00 0.00 61.00 61.63 1o8r s PRO 37 Cb -0.46 -5.06 0.25 0.00 0.05 0.00 0.00 34.50 29.29 1o8r s PRO 37 CO 0.40 -3.67 0.74 0.44 0.05 0.00 0.00 177.00 174.97 1o8r n ILE 38 N 8.01 2.19 -1.77 0.56 -6.64 -1.26 -5.01 119.36 115.44 1o8r n ILE 38 Ca 0.42 -5.16 -0.39 0.00 -1.77 0.00 0.00 62.75 55.85 1o8r n ILE 38 Cb 0.46 -2.05 0.04 0.00 -1.44 0.00 0.00 39.64 36.65 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.84 -1.77 0.00 0.00 176.55 171.94 1o8r s PRO 39 N -2.44 3.21 0.00 6.28 0.01 -1.26 -4.84 135.00 135.96 1o8r s PRO 39 Ca 0.40 2.29 0.00 0.00 0.01 0.00 0.00 61.00 63.70 1o8r s PRO 39 Cb 0.16 -2.32 0.00 0.00 0.01 0.00 0.00 34.50 32.34 1o8r s PRO 39 CO -0.02 -1.15 0.00 0.41 0.01 0.00 0.00 177.00 176.25 1o8r n GLY 40 N 0.70 0.00 2.47 0.52 0.00 -1.26 -5.08 105.19 102.54 1o8r n GLY 40 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1o8r n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8r n GLU 41 N 0.00 2.04 -1.13 1.61 -0.58 -1.26 -5.00 120.64 116.32 1o8r n GLU 41 Ca 0.00 -4.36 -0.30 0.00 -0.42 0.00 0.00 57.16 52.07 1o8r n GLU 41 Cb 0.00 -2.08 -0.11 0.00 -0.57 0.00 0.00 31.44 28.68 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1o8r n PRO 42 N 1.21 0.27 -4.89 3.49 -0.02 -1.26 -4.85 135.00 128.95 1o8r n PRO 42 Ca 0.27 -1.48 -0.32 0.00 -2.02 0.00 0.00 63.50 59.95 1o8r n PRO 42 Cb 0.42 -3.25 -0.17 0.00 -0.02 0.00 0.00 33.50 30.49 1o8r n PRO 42 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1o8r s VAL 43 N 11.67 1.99 0.00 -1.45 1.01 -1.26 -4.84 120.40 127.52 1o8r s VAL 43 Ca 0.74 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1o8r s VAL 43 Cb 0.05 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1o8r s VAL 43 CO 0.25 0.54 0.00 0.52 0.00 0.00 0.00 175.10 176.41 1o8r n VAL 44 N 3.83 0.00 -0.27 2.92 0.31 -1.26 -4.80 118.33 119.06 1o8r n VAL 44 Ca -0.20 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.08 1o8r n VAL 44 Cb 0.52 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.00 0.99 0.43 5.55 0.10 -1.88 -3.18 132.00 134.01 1o8r h PRO 45 Ca 0.00 -0.08 -0.02 0.00 0.10 0.00 0.00 66.00 66.00 1o8r h PRO 45 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 31.00 30.89 1o8r h PRO 45 CO 0.00 0.69 -0.23 0.82 0.10 0.00 0.00 178.00 179.38 1o8r h ILE 46 N 1.00 0.00 0.00 4.15 2.04 -1.93 -3.46 117.51 119.31 1o8r h ILE 46 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1o8r h ILE 46 Cb -0.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1o8r h ILE 46 CO -0.05 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.28 1o8r n LEU 47 N -3.76 0.00 -2.38 1.44 4.77 -1.20 -5.06 117.00 110.81 1o8r n LEU 47 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1o8r n LEU 47 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1o8r n LEU 47 CO 0.18 0.00 -0.16 0.00 -1.33 0.00 0.00 177.39 176.08 1o8r h SER 49 N 3.69 -1.14 -3.46 0.00 0.02 -1.93 -3.37 113.55 107.36 1o8r h SER 49 Ca 0.00 0.12 -0.57 0.00 -0.84 0.00 0.00 61.79 60.49 1o8r h SER 49 Cb 0.33 0.41 -0.07 0.00 0.14 0.00 0.00 62.40 63.21 1o8r h SER 49 CO 0.00 -0.42 0.85 0.20 -1.14 0.00 0.00 176.83 176.33 1o8r s ASN 50 N -4.00 6.81 0.00 3.07 0.01 -1.26 -4.86 114.94 114.71 1o8r s ASN 50 Ca -0.12 0.82 0.06 0.00 -0.71 0.00 0.00 52.86 52.91 1o8r s ASN 50 Cb 0.04 -2.54 0.33 0.00 0.41 0.00 0.00 41.25 39.49 1o8r s ASN 50 CO 0.44 -1.00 0.77 -0.81 -1.51 0.00 0.00 177.10 174.99 1o8r n PRO 51 N 7.18 0.19 -1.46 -0.60 -0.05 -1.26 -2.01 135.00 136.99 1o8r n PRO 51 Ca 0.12 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.59 1o8r n PRO 51 Cb 0.48 -1.46 0.07 0.00 -0.05 0.00 0.00 33.50 32.54 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1o8r n ASN 52 N -0.96 1.48 -3.36 3.54 5.03 -1.26 -5.04 115.26 114.68 1o8r n ASN 52 Ca 0.04 -2.60 -0.22 0.00 0.87 0.00 0.00 54.58 52.68 1o8r n ASN 52 Cb 0.02 -0.38 0.16 0.00 -1.02 0.00 0.00 39.78 38.56 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1o8r n PHE 53 N -0.12 -3.89 -1.09 3.10 -1.74 -0.85 -4.74 117.46 108.12 1o8r n PHE 53 Ca 0.12 -0.83 -0.20 0.00 -0.56 0.00 0.00 57.45 55.98 1o8r n PHE 53 Cb 0.98 -0.78 -0.09 0.00 1.52 0.00 0.00 39.48 41.10 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 -3.36 0.04 -0.42 3.97 -0.01 -1.26 -4.65 135.00 129.30 1o8r n PRO 54 Ca 0.12 -1.05 0.35 0.00 -0.01 0.00 0.00 63.50 62.91 1o8r n PRO 54 Cb 0.43 -2.75 0.66 0.00 -0.01 0.00 0.00 33.50 31.83 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 10.27 0.13 0.00 -0.52 4.81 -1.97 2.25 114.58 129.54 1o8r h GLU 55 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1o8r h GLU 55 Cb 0.85 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1o8r h GLU 55 CO 1.28 0.08 0.26 0.93 -0.73 0.00 0.00 179.01 180.83 1o8r h GLU 56 N 0.13 0.00 -0.61 1.92 5.08 -1.96 2.09 114.58 121.23 1o8r h GLU 56 Ca 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1o8r h GLU 56 Cb 2.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.65 1o8r h GLU 56 CO -0.24 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.05 1o8r n LEU 57 N -2.73 3.43 -0.29 1.33 4.32 0.76 -4.49 117.00 119.33 1o8r n LEU 57 Ca -0.02 -1.68 0.04 0.00 -0.02 0.00 0.00 56.01 54.33 1o8r n LEU 57 Cb 0.31 -0.40 0.13 0.00 -1.62 0.00 0.00 43.42 41.83 1o8r n LEU 57 CO 0.13 0.84 0.73 0.50 -1.22 0.00 0.00 177.39 178.36 1o8r h LYS 58 N 3.85 0.02 -0.81 3.23 1.63 0.34 0.73 116.57 125.55 1o8r h LYS 58 Ca 0.00 -0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.91 1o8r h LYS 58 Cb 0.88 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.42 1o8r h LYS 58 CO 0.00 0.01 0.44 -1.35 -3.45 0.00 0.00 179.45 175.10 1o8r h PRO 59 N 0.02 0.67 -0.95 1.90 0.10 -1.79 0.84 132.00 132.79 1o8r h PRO 59 Ca 0.41 -0.04 0.09 0.00 0.10 0.00 0.00 66.00 66.57 1o8r h PRO 59 Cb 0.67 -0.15 -0.07 0.00 0.10 0.00 0.00 31.00 31.55 1o8r h PRO 59 CO -0.82 0.44 0.59 -0.07 0.10 0.00 0.00 178.00 178.24 1o8r h LEU 60 N 0.69 0.89 -1.88 2.35 4.07 0.15 0.21 115.31 121.79 1o8r h LEU 60 Ca 0.42 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.38 1o8r h LEU 60 Cb 0.48 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 1o8r h LEU 60 CO -0.30 0.52 -0.13 0.00 -1.08 0.00 0.00 178.44 177.45 1o8r n LYS 62 N -3.80 0.78 -4.36 0.00 5.02 0.68 -4.65 118.16 111.82 1o8r n LYS 62 Ca -0.02 -0.39 -0.30 0.00 -2.02 0.00 0.00 58.31 55.57 1o8r n LYS 62 Cb 0.23 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.50 2.21 0.49 1.97 -1.05 -0.62 -4.99 118.70 114.21 1o8r s GLU 63 Ca 0.26 -0.95 0.33 0.00 -0.15 0.00 0.00 54.97 54.46 1o8r s GLU 63 Cb 0.20 -2.33 1.65 0.00 -0.44 0.00 0.00 34.13 33.20 1o8r s GLU 63 CO 0.50 0.54 2.00 -1.00 0.95 0.00 0.00 175.26 178.25 1o8r h PRO 64 N 4.00 0.00 0.00 -4.83 0.14 -1.89 -1.84 132.00 127.58 1o8r h PRO 64 Ca -0.49 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.65 1o8r h PRO 64 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.30 1o8r h PRO 64 CO 0.52 0.00 0.00 0.09 0.14 0.00 0.00 178.00 178.75 1o8r n ASN 65 N -2.74 0.64 -0.34 1.44 3.02 -1.26 -3.74 115.26 112.28 1o8r n ASN 65 Ca -0.01 0.56 0.20 0.00 -0.03 0.00 0.00 54.58 55.30 1o8r n ASN 65 Cb 0.14 -0.73 0.42 0.00 -0.61 0.00 0.00 39.78 38.99 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 2.62 1.83 -0.94 5.41 0.00 -1.38 0.47 119.26 127.27 1o8r h ALA 66 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1o8r h ALA 66 Cb 0.68 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1o8r h ALA 66 CO 0.00 -0.40 0.60 1.96 0.00 0.00 0.00 179.25 181.41 1o8r h GLN 67 N 0.46 1.06 0.13 0.00 4.20 -1.81 0.89 115.11 120.04 1o8r h GLN 67 Ca 0.67 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 59.05 1o8r h GLN 67 Cb 1.39 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1o8r h GLN 67 CO -0.53 0.70 -1.26 0.93 -0.67 0.00 0.00 178.83 178.00 1o8r h GLU 68 N 1.10 0.27 0.16 1.46 5.08 -0.47 -3.23 114.58 118.94 1o8r h GLU 68 Ca 0.40 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1o8r h GLU 68 Cb 0.15 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1o8r h GLU 68 CO -0.17 1.21 -0.08 0.82 -1.00 0.00 0.00 179.01 179.79 1o8r h ILE 69 N 0.07 0.85 -0.52 3.13 2.04 -0.05 -2.74 117.51 120.28 1o8r h ILE 69 Ca -0.14 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 64.67 1o8r h ILE 69 Cb 1.97 1.41 -0.09 0.00 -0.74 0.00 0.00 36.82 39.38 1o8r h ILE 69 CO 0.20 0.22 -0.56 0.25 0.00 0.00 0.00 178.15 178.26 1o8r h LEU 70 N -0.85 -1.91 -0.25 1.44 7.12 0.65 0.56 115.31 122.08 1o8r h LEU 70 Ca -0.02 0.26 0.06 0.00 0.13 0.00 0.00 57.88 58.31 1o8r h LEU 70 Cb 0.52 0.79 -0.07 0.00 -0.53 0.00 0.00 40.66 41.38 1o8r h LEU 70 CO 0.04 -0.36 -0.23 1.56 -0.13 0.00 0.00 178.44 179.32 1o8r h GLN 71 N -0.31 -0.22 0.27 1.25 4.20 -1.66 -0.53 115.11 118.10 1o8r h GLN 71 Ca 0.09 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1o8r h GLN 71 Cb 0.55 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1o8r h GLN 71 CO -0.66 -0.15 -0.35 0.00 -0.67 0.00 0.00 178.83 177.00 1o8r h ARG 72 N -0.23 -0.65 -0.59 1.46 3.08 -0.83 -1.39 114.38 115.22 1o8r h ARG 72 Ca 0.14 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.35 1o8r h ARG 72 Cb 0.44 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 1o8r h ARG 72 CO -0.38 -0.43 -0.20 -0.07 -1.07 0.00 0.00 179.97 177.82 1o8r h LEU 73 N -0.68 -0.71 -1.17 3.04 3.38 0.56 0.27 115.31 120.01 1o8r h LEU 73 Ca -0.00 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1o8r h LEU 73 Cb 0.64 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1o8r h LEU 73 CO -0.12 -0.23 0.58 -0.33 0.09 0.00 0.00 178.44 178.43 1o8r h GLU 74 N -0.05 0.94 0.19 1.13 4.39 -0.64 0.81 114.58 121.34 1o8r h GLU 74 Ca 0.28 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1o8r h GLU 74 Cb 0.48 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1o8r h GLU 74 CO -0.63 0.62 -0.09 1.49 -1.16 0.00 0.00 179.01 179.23 1o8r h GLU 75 N 0.96 -0.25 -0.07 2.33 4.81 0.51 -1.99 114.58 120.89 1o8r h GLU 75 Ca 0.40 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.59 1o8r h GLU 75 Cb 0.29 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1o8r h GLU 75 CO -0.16 0.15 -0.23 0.82 -0.73 0.00 0.00 179.01 178.86 1o8r h ILE 76 N -0.79 1.20 -0.27 2.32 2.04 -0.64 -2.05 117.51 119.31 1o8r h ILE 76 Ca -0.03 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 1o8r h ILE 76 Cb 0.52 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1o8r h ILE 76 CO 0.04 0.28 -0.23 0.00 0.00 0.00 0.00 178.15 178.24 1o8r h ALA 77 N 1.66 1.10 -0.46 1.87 0.00 0.65 -2.16 119.26 121.92 1o8r h ALA 77 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1o8r h ALA 77 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1o8r h ALA 77 CO 0.03 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.23 1o8r n GLU 78 N -4.13 3.18 -3.59 0.00 1.02 -0.75 -4.58 120.64 111.78 1o8r n GLU 78 Ca -0.00 -2.12 -0.01 0.00 -0.02 0.00 0.00 57.16 55.01 1o8r n GLU 78 Cb 0.40 -1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 1o8r n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1o8r s ASP 79 N -0.73 -0.52 0.00 1.62 2.15 -0.81 -1.37 116.67 117.00 1o8r s ASP 79 Ca 0.38 0.80 0.00 0.00 0.43 0.00 0.00 52.55 54.16 1o8r s ASP 79 Cb 0.25 1.31 0.00 0.00 -0.30 0.00 0.00 42.92 44.19 1o8r s ASP 79 CO 0.16 -0.12 0.69 -0.81 -0.17 0.00 0.00 175.17 174.92 1o8r n PRO 80 N 3.99 0.00 0.00 4.34 -0.05 -1.26 -4.34 135.00 137.68 1o8r n PRO 80 Ca -0.16 0.25 0.00 0.00 -0.05 0.00 0.00 63.50 63.54 1o8r n PRO 80 Cb 0.56 -1.21 0.00 0.00 -0.05 0.00 0.00 33.50 32.80 1o8r n PRO 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1o8r n GLY 81 N -0.50 0.37 0.18 0.55 0.00 -1.26 -3.37 105.19 101.15 1o8r n GLY 81 Ca 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.16 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 0.49 -0.16 2.61 1.35 -1.96 -3.31 112.91 111.92 1o8r h THR 82 Ca 0.00 -1.64 0.05 0.00 -0.55 0.00 0.00 66.41 64.27 1o8r h THR 82 Cb 0.00 2.20 -0.05 0.00 -1.73 0.00 0.00 68.15 68.57 1o8r h THR 82 CO 0.00 0.27 -0.17 0.00 -0.25 0.00 0.00 175.52 175.37 1o8r h GLU 84 N -0.20 0.29 -0.63 0.00 4.81 -1.69 -0.68 114.58 116.47 1o8r h GLU 84 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1o8r h GLU 84 Cb 0.36 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1o8r h GLU 84 CO -0.28 0.19 0.00 0.44 -0.73 0.00 0.00 179.01 178.63 1o8r n ILE 85 N -4.49 1.09 -1.16 2.32 -5.35 -0.43 -4.90 119.36 106.45 1o8r n ILE 85 Ca 0.03 -0.89 -0.07 0.00 -0.27 0.00 0.00 62.75 61.55 1o8r n ILE 85 Cb 0.18 0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.34 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 1.03 1.52 -2.20 0.00 0.00 -0.19 -4.75 120.51 115.93 1o8r n ALA 87 Ca -0.07 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1o8r n ALA 87 Cb 0.53 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.36 1.07 -2.00 0.00 1.51 -1.24 -4.99 117.35 108.33 1o8r s TYR 88 Ca 0.03 -1.18 0.14 0.00 -1.01 0.00 0.00 57.07 55.05 1o8r s TYR 88 Cb 0.09 -0.60 0.81 0.00 -0.11 0.00 0.00 41.96 42.15 1o8r s TYR 88 CO 0.35 -0.42 1.29 0.00 -1.11 0.00 0.00 175.55 175.66 1o8r n ALA 89 N -0.19 2.24 -0.29 3.71 0.00 -1.26 -3.44 120.51 121.27 1o8r n ALA 89 Ca -0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1o8r n ALA 89 Cb 0.64 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.94 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 2.96 1.07 -2.91 0.00 0.00 -1.93 -3.40 119.26 115.05 1o8r h ALA 90 Ca 0.00 -0.19 -0.65 0.00 0.00 0.00 0.00 54.91 54.07 1o8r h ALA 90 Cb 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 17.79 17.27 1o8r h ALA 90 CO 0.00 0.67 -0.57 0.00 0.00 0.00 0.00 179.25 179.35 1o8r n THR 92 N 4.99 0.63 0.07 0.00 -1.04 -0.86 -4.64 114.28 113.42 1o8r n THR 92 Ca -0.15 -0.81 -0.09 0.00 -2.04 0.00 0.00 64.05 60.96 1o8r n THR 92 Cb 0.51 0.76 -0.06 0.00 -1.82 0.00 0.00 70.33 69.72 1o8r n THR 92 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1o8r h GLY 93 N 1.78 -0.28 0.23 3.41 0.00 -1.89 -3.46 103.07 102.86 1o8r h GLY 93 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1o8r h GLY 93 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.44