#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 1.34 -0.32 3.34 -1.32 -1.20 -4.89 115.64 112.59 1o8r s THR 2 Ca 0.00 -2.09 -0.25 0.00 -1.21 0.00 0.00 61.69 58.13 1o8r s THR 2 Cb 0.00 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1o8r s THR 2 CO 0.00 -0.46 0.89 -0.69 -2.21 0.00 0.00 174.62 172.15 1o8r s VAL 3 N -3.22 4.68 -0.33 5.08 1.01 -0.63 -2.06 120.40 124.93 1o8r s VAL 3 Ca 0.25 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 1o8r s VAL 3 Cb 0.03 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1o8r s VAL 3 CO 0.07 -0.36 0.11 -1.58 0.00 0.00 0.00 175.10 173.34 1o8r s GLN 4 N 3.23 2.80 0.00 2.72 0.74 -0.84 -0.98 119.66 127.33 1o8r s GLN 4 Ca 0.37 -1.06 0.22 0.00 0.05 0.00 0.00 55.36 54.94 1o8r s GLN 4 Cb -0.13 -3.46 0.59 0.00 1.10 0.00 0.00 33.01 31.11 1o8r s GLN 4 CO 0.14 -0.59 1.47 -0.25 -0.55 0.00 0.00 175.29 175.51 1o8r n ASP 5 N 4.85 2.46 0.00 6.67 8.00 -1.26 -4.88 116.55 132.39 1o8r n ASP 5 Ca -0.13 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1o8r n ASP 5 Cb 0.46 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 1.29 2.24 0.02 0.44 0.00 -1.26 -4.98 105.19 102.95 1o8r n GLY 6 Ca 0.17 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.06 -4.38 1.61 3.02 -1.26 -4.79 115.26 109.52 1o8r n ASN 7 Ca 0.00 -1.90 -0.29 0.00 -0.03 0.00 0.00 54.58 52.36 1o8r n ASN 7 Cb 0.00 -0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 2.32 -0.24 3.10 0.08 -1.26 -5.10 117.98 114.90 1o8r s PHE 8 Ca 0.06 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.51 1o8r s PHE 8 Cb 0.03 -1.31 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1o8r s PHE 8 CO 0.04 0.26 0.65 0.45 -0.10 0.00 0.00 175.22 176.52 1o8r s SER 9 N -1.75 6.64 -0.26 1.36 0.15 -1.26 -4.16 113.70 114.42 1o8r s SER 9 Ca 0.13 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 57.50 1o8r s SER 9 Cb -0.10 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.85 1o8r s SER 9 CO 0.05 -0.36 0.05 -0.36 1.20 0.00 0.00 173.24 173.82 1o8r s PHE 10 N 2.37 3.08 0.97 3.44 0.40 -0.16 -4.96 117.98 123.12 1o8r s PHE 10 Ca 0.28 -0.78 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1o8r s PHE 10 Cb -0.16 -2.21 0.17 0.00 0.51 0.00 0.00 43.02 41.33 1o8r s PHE 10 CO 0.09 -0.50 1.11 -1.54 0.70 0.00 0.00 175.22 175.08 1o8r s SER 11 N 1.53 2.93 0.00 1.36 1.04 -1.26 -1.61 113.70 117.69 1o8r s SER 11 Ca 0.05 1.11 0.18 0.00 0.48 0.00 0.00 55.95 57.77 1o8r s SER 11 Cb -0.16 -1.75 0.12 0.00 0.10 0.00 0.00 66.02 64.33 1o8r s SER 11 CO 0.02 -2.93 1.05 0.18 0.98 0.00 0.00 173.24 172.54 1o8r n LEU 12 N -4.03 2.39 0.00 2.42 4.32 -1.26 -4.63 117.00 116.20 1o8r n LEU 12 Ca 0.06 -0.95 -0.00 0.00 -0.02 0.00 0.00 56.01 55.09 1o8r n LEU 12 Cb 0.58 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1o8r n LEU 12 CO 0.57 0.42 0.32 -0.33 -1.22 0.00 0.00 177.39 177.16 1o8r h GLU 13 N 3.31 -0.00 -0.87 3.23 5.08 -1.93 -1.89 114.58 121.51 1o8r h GLU 13 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1o8r h GLU 13 Cb 0.74 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.83 1o8r h GLU 13 CO 0.00 -0.00 -0.26 0.77 -1.00 0.00 0.00 179.01 178.52 1o8r h SER 14 N -0.00 -0.94 -0.29 1.42 0.02 -1.94 0.27 113.55 112.08 1o8r h SER 14 Ca -0.00 0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1o8r h SER 14 Cb 0.00 0.58 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1o8r h SER 14 CO 0.00 -0.29 0.11 -0.37 -1.14 0.00 0.00 176.83 175.13 1o8r h VAL 15 N -0.02 0.93 0.09 2.27 -1.51 -1.82 1.47 116.25 117.67 1o8r h VAL 15 Ca 0.39 -0.08 0.02 0.00 -1.23 0.00 0.00 66.70 65.80 1o8r h VAL 15 Cb 0.63 0.68 -0.04 0.00 -2.13 0.00 0.00 31.29 30.43 1o8r h VAL 15 CO -0.89 0.04 -0.27 0.11 -1.23 0.00 0.00 177.57 175.33 1o8r h LYS 16 N 0.24 -0.45 -0.12 5.19 1.57 0.29 0.23 116.57 123.52 1o8r h LYS 16 Ca 0.13 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1o8r h LYS 16 Cb 0.09 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1o8r h LYS 16 CO -0.12 -0.30 0.00 1.17 -0.57 0.00 0.00 179.45 179.63 1o8r n LYS 17 N -5.38 1.04 0.03 3.15 4.81 -0.02 -3.87 118.16 117.92 1o8r n LYS 17 Ca -0.06 -0.06 0.05 0.00 -0.87 0.00 0.00 58.31 57.37 1o8r n LYS 17 Cb 0.30 -1.06 0.46 0.00 0.02 0.00 0.00 35.03 34.75 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 0.09 0.39 -0.61 3.14 5.85 0.55 -1.60 115.31 123.13 1o8r h LEU 18 Ca 0.00 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1o8r h LEU 18 Cb 0.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1o8r h LEU 18 CO 0.00 0.28 -0.13 0.50 -0.34 0.00 0.00 178.44 178.75 1o8r h LYS 19 N 0.46 0.97 -3.37 1.25 3.64 -1.73 -3.36 116.57 114.43 1o8r h LYS 19 Ca 0.14 -0.36 -0.65 0.00 -1.27 0.00 0.00 60.65 58.51 1o8r h LYS 19 Cb 0.01 -0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 31.37 1o8r h LYS 19 CO -0.03 1.03 -0.55 0.34 -2.27 0.00 0.00 179.45 177.97 1o8r s ASP 20 N -6.68 4.64 0.40 4.20 2.15 -0.61 -4.94 116.67 115.84 1o8r s ASP 20 Ca -0.11 -3.15 0.08 0.00 0.43 0.00 0.00 52.55 49.80 1o8r s ASP 20 Cb 0.13 -1.69 0.85 0.00 -0.30 0.00 0.00 42.92 41.90 1o8r s ASP 20 CO 0.86 -0.23 2.01 0.25 -0.17 0.00 0.00 175.17 177.88 1o8r h LEU 21 N 6.40 0.38-10.42 -1.34 5.85 -1.70 -3.43 115.31 111.05 1o8r h LEU 21 Ca -0.02 -0.03 -0.50 0.00 0.84 0.00 0.00 57.88 58.17 1o8r h LEU 21 Cb 0.88 -0.10 0.08 0.00 0.37 0.00 0.00 40.66 41.89 1o8r h LEU 21 CO 0.71 0.35 0.41 -1.10 -0.34 0.00 0.00 178.44 178.46 1o8r s GLN 22 N -5.21 3.03 -0.33 1.25 -0.21 -1.26 -4.59 119.66 112.34 1o8r s GLN 22 Ca -0.07 0.61 -0.08 0.00 0.02 0.00 0.00 55.36 55.84 1o8r s GLN 22 Cb 0.17 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 32.16 1o8r s GLN 22 CO 0.73 -0.95 0.24 0.39 -2.12 0.00 0.00 175.29 173.58 1o8r n GLU 23 N -2.98 -2.73 -1.73 2.91 1.02 -1.26 -4.76 120.64 111.11 1o8r n GLU 23 Ca 0.07 2.30 -0.38 0.00 -0.02 0.00 0.00 57.16 59.12 1o8r n GLU 23 Cb 0.56 -4.84 -0.03 0.00 -0.02 0.00 0.00 31.44 27.11 1o8r n GLU 23 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 24 N -1.94 2.52 0.29 3.49 0.05 -1.26 -4.83 135.00 133.32 1o8r s PRO 24 Ca 0.11 1.32 0.01 0.00 0.05 0.00 0.00 61.00 62.48 1o8r s PRO 24 Cb -0.03 -4.46 0.45 0.00 0.05 0.00 0.00 34.50 30.51 1o8r s PRO 24 CO 0.71 -2.81 1.82 0.37 0.05 0.00 0.00 177.00 177.14 1o8r h GLN 25 N 17.06 0.71 -2.28 4.56 4.15 -1.91 -3.31 115.11 134.09 1o8r h GLN 25 Ca -0.28 -0.16 -0.59 0.00 0.77 0.00 0.00 58.65 58.39 1o8r h GLN 25 Cb 1.23 -0.10 -0.40 0.00 0.21 0.00 0.00 27.48 28.41 1o8r h GLN 25 CO 1.13 0.69 -0.81 -0.85 -1.93 0.00 0.00 178.83 177.06 1o8r n GLU 26 N -4.26 1.53 0.31 1.69 0.00 -1.26 -4.91 120.64 113.75 1o8r n GLU 26 Ca 0.03 -3.98 0.19 0.00 0.00 0.00 0.00 57.16 53.40 1o8r n GLU 26 Cb 0.26 -1.84 1.04 0.00 0.00 0.00 0.00 31.44 30.90 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 1o8r h PRO 27 N 4.47 0.00 0.00 3.44 0.11 -1.98 -3.43 132.00 134.60 1o8r h PRO 27 Ca 0.16 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.77 1o8r h PRO 27 Cb 0.78 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.79 1o8r h PRO 27 CO 0.64 0.02 -0.36 0.54 -0.21 0.00 0.00 178.00 178.62 1o8r n ARG 28 N -3.31 1.06 -4.26 1.05 1.74 -1.26 -5.15 116.66 106.52 1o8r n ARG 28 Ca -0.02 -2.81 -0.29 0.00 -0.77 0.00 0.00 57.85 53.96 1o8r n ARG 28 Cb 0.12 0.76 -0.10 0.00 -1.02 0.00 0.00 32.46 32.22 1o8r n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1o8r s VAL 29 N -2.40 3.17 0.00 1.55 0.11 -1.26 -4.61 120.40 116.96 1o8r s VAL 29 Ca 0.00 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1o8r s VAL 29 Cb 0.00 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.36 1o8r s VAL 29 CO 0.00 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1o8r n GLY 30 N 0.61 0.59 3.95 6.54 0.00 -1.26 -5.09 105.19 110.54 1o8r n GLY 30 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1o8r n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o8r s LYS 31 N -0.61 1.95 -0.03 1.61 1.02 -1.26 -4.97 119.74 117.45 1o8r s LYS 31 Ca 0.00 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 1o8r s LYS 31 Cb 0.00 -2.21 -0.07 0.00 -0.52 0.00 0.00 37.83 35.03 1o8r s LYS 31 CO 0.00 -1.35 1.85 -1.17 -0.92 0.00 0.00 175.35 173.76 1o8r s LEU 32 N -5.24 4.27 -0.42 3.17 1.98 -1.26 -4.91 118.68 116.28 1o8r s LEU 32 Ca 0.63 2.38 0.09 0.00 -2.89 0.00 0.00 54.13 54.33 1o8r s LEU 32 Cb -0.09 -3.53 0.28 0.00 0.66 0.00 0.00 46.19 43.51 1o8r s LEU 32 CO 0.45 -1.10 0.63 -2.11 -1.89 0.00 0.00 176.35 172.32 1o8r n ARG 33 N 7.51 1.12 -3.28 1.98 1.85 -1.26 -4.98 116.66 119.60 1o8r n ARG 33 Ca 0.20 -3.52 -0.25 0.00 -1.00 0.00 0.00 57.85 53.28 1o8r n ARG 33 Cb 0.42 -1.52 -0.08 0.00 -1.05 0.00 0.00 32.46 30.24 1o8r n ARG 33 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1o8r n ASN 34 N 0.95 0.52 -2.67 2.89 3.02 -1.26 -4.85 115.26 113.86 1o8r n ASN 34 Ca 0.24 -2.73 -0.02 0.00 -0.03 0.00 0.00 54.58 52.04 1o8r n ASN 34 Cb 0.54 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1o8r n ASN 34 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1o8r s PHE 35 N -1.09 -0.15 0.52 3.10 5.36 -0.89 -4.59 117.98 120.24 1o8r s PHE 35 Ca 0.35 -0.03 -0.18 0.00 -0.96 0.00 0.00 56.93 56.11 1o8r s PHE 35 Cb 0.14 0.03 -0.07 0.00 -0.34 0.00 0.00 43.02 42.78 1o8r s PHE 35 CO -0.12 -0.12 1.02 0.00 -1.46 0.00 0.00 175.22 174.54 1o8r s ALA 36 N 1.26 2.92 -0.09 11.12 0.00 -1.25 -4.80 121.76 130.91 1o8r s ALA 36 Ca 0.20 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 1o8r s ALA 36 Cb 0.12 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1o8r s ALA 36 CO -0.13 -0.39 1.21 -0.35 0.00 0.00 0.00 175.76 176.10 1o8r n PRO 37 N -1.48 0.50 -2.13 0.00 -0.05 -1.26 -4.68 135.00 125.90 1o8r n PRO 37 Ca 0.08 -0.38 0.00 0.00 -0.05 0.00 0.00 63.50 63.15 1o8r n PRO 37 Cb 0.53 -1.76 0.00 0.00 -0.05 0.00 0.00 33.50 32.22 1o8r n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1o8r n ILE 38 N 3.41 -9.59 -0.68 0.52 5.41 -1.26 -4.90 119.36 112.26 1o8r n ILE 38 Ca 0.11 2.34 -0.30 0.00 1.00 0.00 0.00 62.75 65.89 1o8r n ILE 38 Cb 0.15 -4.49 0.19 0.00 -0.71 0.00 0.00 39.64 34.78 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1o8r s PRO 39 N -0.40 0.54 0.00 0.38 0.04 -1.26 -4.35 135.00 129.94 1o8r s PRO 39 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1o8r s PRO 39 Cb 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1o8r s PRO 39 CO 0.00 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.56 1o8r n GLY 40 N 0.29 1.29 2.57 0.56 0.00 -1.26 -5.01 105.19 103.63 1o8r n GLY 40 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.48 2.06 -1.82 1.61 1.02 -1.26 -5.05 120.64 115.72 1o8r n GLU 41 Ca 0.00 -4.44 -0.39 0.00 -0.02 0.00 0.00 57.16 52.30 1o8r n GLU 41 Cb 0.00 -2.17 0.02 0.00 -0.02 0.00 0.00 31.44 29.27 1o8r n GLU 41 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 42 N -1.92 3.59 -0.35 3.49 0.04 -1.26 -4.91 135.00 133.68 1o8r s PRO 42 Ca 0.34 2.35 0.15 0.00 0.04 0.00 0.00 61.00 63.89 1o8r s PRO 42 Cb 0.08 -2.57 0.41 0.00 0.04 0.00 0.00 34.50 32.45 1o8r s PRO 42 CO -0.08 -0.87 0.85 1.33 0.04 0.00 0.00 177.00 178.26 1o8r n VAL 43 N -0.36 0.43 -2.85 -0.36 0.24 -1.26 -4.93 118.33 109.25 1o8r n VAL 43 Ca 0.06 -3.76 -0.16 0.00 -2.04 0.00 0.00 64.34 58.44 1o8r n VAL 43 Cb 0.43 0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1o8r n VAL 43 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1o8r n VAL 44 N 0.10 0.92 -0.05 3.34 0.31 -1.26 -1.83 118.33 119.86 1o8r n VAL 44 Ca 0.16 -4.01 0.03 0.00 -0.01 0.00 0.00 64.34 60.51 1o8r n VAL 44 Cb 0.74 -0.05 0.36 0.00 -0.91 0.00 0.00 33.84 33.99 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 2.95 0.65 0.00 5.55 0.13 -1.96 -3.40 132.00 135.91 1o8r h PRO 45 Ca 0.03 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1o8r h PRO 45 Cb 1.02 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1o8r h PRO 45 CO 0.57 0.46 0.00 -0.89 -0.23 0.00 0.00 178.00 177.90 1o8r n ILE 46 N -4.44 0.00 -3.15 -3.56 5.41 -1.26 -5.09 119.36 107.28 1o8r n ILE 46 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.85 1o8r n ILE 46 Cb 0.08 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.00 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1o8r s LEU 47 N -2.36 -0.21 0.00 1.39 2.96 -1.26 -5.02 118.68 114.18 1o8r s LEU 47 Ca 0.00 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1o8r s LEU 47 Cb 0.00 1.14 0.00 0.00 0.50 0.00 0.00 46.19 47.83 1o8r s LEU 47 CO 0.00 -0.04 0.00 0.00 -1.32 0.00 0.00 176.35 174.99 1o8r h SER 49 N 3.53 1.07 -3.48 0.00 4.64 -1.75 -3.39 113.55 114.16 1o8r h SER 49 Ca 0.00 -0.06 -0.57 0.00 -0.47 0.00 0.00 61.79 60.69 1o8r h SER 49 Cb 0.29 -0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 62.04 1o8r h SER 49 CO 0.00 0.82 0.84 0.20 -0.87 0.00 0.00 176.83 177.82 1o8r s ASN 50 N -6.25 6.79 0.00 4.97 -0.87 -1.26 -4.87 114.94 113.45 1o8r s ASN 50 Ca -0.12 0.77 0.02 0.00 -1.57 0.00 0.00 52.86 51.96 1o8r s ASN 50 Cb 0.17 -2.54 0.10 0.00 -0.02 0.00 0.00 41.25 38.97 1o8r s ASN 50 CO 0.82 -1.02 0.96 -2.65 -2.57 0.00 0.00 177.10 172.64 1o8r n PRO 51 N 7.22 0.02 -1.58 -0.60 -0.02 -1.26 -2.07 135.00 136.71 1o8r n PRO 51 Ca 0.11 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1o8r n PRO 51 Cb 0.48 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.38 1.23 -3.11 2.55 3.02 -1.26 -5.05 115.26 111.26 1o8r n ASN 52 Ca 0.01 -2.26 -0.17 0.00 -0.03 0.00 0.00 54.58 52.13 1o8r n ASN 52 Cb 0.02 -0.35 0.14 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.15 -3.68 -0.90 3.10 -1.74 -0.88 -4.73 117.46 108.78 1o8r n PHE 53 Ca 0.08 -0.61 -0.35 0.00 -0.56 0.00 0.00 57.45 56.01 1o8r n PHE 53 Cb 1.05 -0.64 -0.12 0.00 1.52 0.00 0.00 39.48 41.29 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 -3.17 0.11 -0.65 3.97 -0.02 -1.26 -4.66 135.00 129.33 1o8r n PRO 54 Ca 0.09 -1.29 0.49 0.00 -2.02 0.00 0.00 63.50 60.78 1o8r n PRO 54 Cb 0.34 -3.01 0.77 0.00 -0.02 0.00 0.00 33.50 31.58 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 8.01 -0.01 0.08 -0.52 2.13 -1.26 0.29 120.64 129.37 1o8r n GLU 55 Ca 0.45 1.08 0.20 0.00 0.66 0.00 0.00 57.16 59.55 1o8r n GLU 55 Cb 0.44 -2.42 0.75 0.00 0.27 0.00 0.00 31.44 30.48 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 -0.12 5.31 5.08 -1.97 1.52 114.58 124.40 1o8r h GLU 56 Ca 0.90 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.26 1o8r h GLU 56 Cb 3.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.74 1o8r h GLU 56 CO -0.10 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.19 1o8r n LEU 57 N -3.87 0.82 -0.36 1.33 4.77 0.85 -4.31 117.00 116.23 1o8r n LEU 57 Ca 0.07 -0.38 0.03 0.00 -0.03 0.00 0.00 56.01 55.71 1o8r n LEU 57 Cb 0.59 -0.08 0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1o8r n LEU 57 CO 0.30 0.19 0.62 0.29 -1.33 0.00 0.00 177.39 177.45 1o8r n LYS 58 N -0.14 -0.14 -0.21 3.23 4.76 0.52 0.12 118.16 126.29 1o8r n LYS 58 Ca 0.10 1.52 -0.01 0.00 -2.87 0.00 0.00 58.31 57.05 1o8r n LYS 58 Cb 0.16 -2.27 0.10 0.00 -1.84 0.00 0.00 35.03 31.18 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 0.53 -0.77 1.97 0.10 -1.81 -1.12 132.00 130.90 1o8r h PRO 59 Ca 0.42 -0.03 0.14 0.00 0.10 0.00 0.00 66.00 66.63 1o8r h PRO 59 Cb 0.66 -0.12 -0.09 0.00 0.10 0.00 0.00 31.00 31.55 1o8r h PRO 59 CO -0.99 0.35 0.35 1.25 0.10 0.00 0.00 178.00 179.05 1o8r h LEU 60 N 0.54 0.37 -1.47 2.35 5.85 0.59 0.25 115.31 123.79 1o8r h LEU 60 Ca 0.30 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 1o8r h LEU 60 Cb 0.27 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1o8r h LEU 60 CO -0.23 0.16 -0.26 0.00 -0.34 0.00 0.00 178.44 177.76 1o8r n LYS 62 N -3.87 1.20 -4.50 0.00 5.02 0.83 -4.72 118.16 112.13 1o8r n LYS 62 Ca -0.02 -0.30 -0.22 0.00 -2.02 0.00 0.00 58.31 55.75 1o8r n LYS 62 Cb 0.35 -1.29 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.93 1.13 0.17 1.97 -1.05 -0.79 -5.00 118.70 113.20 1o8r s GLU 63 Ca 0.26 -0.79 0.14 0.00 -0.15 0.00 0.00 54.97 54.43 1o8r s GLU 63 Cb 0.13 -1.17 0.69 0.00 -0.44 0.00 0.00 34.13 33.34 1o8r s GLU 63 CO 0.20 0.30 1.42 -2.30 0.95 0.00 0.00 175.26 175.83 1o8r n PRO 64 N 1.99 0.08 0.18 -4.83 -0.02 -1.26 -1.33 135.00 129.81 1o8r n PRO 64 Ca -0.17 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1o8r n PRO 64 Cb 0.54 -1.75 0.24 0.00 -0.02 0.00 0.00 33.50 32.51 1o8r n PRO 64 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1o8r h ASN 65 N 0.00 0.00 -1.02 2.55 2.35 -1.95 -3.30 115.58 114.21 1o8r h ASN 65 Ca 0.00 -0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.03 1o8r h ASN 65 Cb 0.07 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.31 1o8r h ASN 65 CO 0.00 0.00 0.61 0.00 -1.65 0.00 0.00 177.43 176.39 1o8r h ALA 66 N 2.16 1.94 -0.63 -0.83 0.00 -1.22 0.42 119.26 121.11 1o8r h ALA 66 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1o8r h ALA 66 Cb 0.92 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1o8r h ALA 66 CO 0.00 -0.45 0.37 0.37 0.00 0.00 0.00 179.25 179.54 1o8r h GLN 67 N 0.46 0.70 0.23 0.00 4.15 -1.80 0.39 115.11 119.24 1o8r h GLN 67 Ca 0.67 -0.04 -0.33 0.00 0.77 0.00 0.00 58.65 59.72 1o8r h GLN 67 Cb 1.45 -0.16 0.03 0.00 0.21 0.00 0.00 27.48 29.02 1o8r h GLN 67 CO -0.49 0.46 -1.46 1.49 -1.93 0.00 0.00 178.83 176.90 1o8r h GLU 68 N 0.72 0.50 -0.19 1.69 4.81 -0.80 -3.28 114.58 118.02 1o8r h GLU 68 Ca 0.26 -0.85 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 1o8r h GLU 68 Cb 0.07 0.32 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1o8r h GLU 68 CO -0.13 1.41 0.05 0.82 -0.73 0.00 0.00 179.01 180.43 1o8r h ILE 69 N 0.14 1.20 -0.21 2.32 2.04 -0.10 -2.89 117.51 120.00 1o8r h ILE 69 Ca -0.24 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.04 1o8r h ILE 69 Cb 2.14 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 39.42 1o8r h ILE 69 CO 0.26 0.20 -0.43 0.25 0.00 0.00 0.00 178.15 178.43 1o8r h LEU 70 N 0.12 -1.38 -0.38 1.44 7.12 -0.34 0.14 115.31 122.03 1o8r h LEU 70 Ca 0.06 0.19 0.08 0.00 0.13 0.00 0.00 57.88 58.34 1o8r h LEU 70 Cb 0.26 0.57 -0.09 0.00 -0.53 0.00 0.00 40.66 40.87 1o8r h LEU 70 CO -0.00 -0.41 -0.26 -0.61 -0.13 0.00 0.00 178.44 177.03 1o8r h GLN 71 N -0.45 -0.19 -0.22 1.25 4.15 -1.61 -0.46 115.11 117.59 1o8r h GLN 71 Ca 0.09 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.57 1o8r h GLN 71 Cb 0.62 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.30 1o8r h GLN 71 CO -0.45 -0.13 -0.08 0.00 -1.93 0.00 0.00 178.83 176.24 1o8r h ARG 72 N -0.20 -0.04 -0.44 1.69 3.08 -1.08 -1.69 114.38 115.69 1o8r h ARG 72 Ca 0.18 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.32 1o8r h ARG 72 Cb 0.48 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 1o8r h ARG 72 CO -0.49 -0.03 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.20 1o8r h LEU 73 N -0.04 -0.42 -0.12 3.04 3.38 0.44 -1.42 115.31 120.17 1o8r h LEU 73 Ca 0.11 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.26 1o8r h LEU 73 Cb 0.21 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1o8r h LEU 73 CO -0.25 -0.15 -0.19 -0.33 0.09 0.00 0.00 178.44 177.61 1o8r h GLU 74 N -0.01 -0.24 -0.04 1.13 4.39 -0.38 0.20 114.58 119.65 1o8r h GLU 74 Ca 0.21 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.97 1o8r h GLU 74 Cb 0.33 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1o8r h GLU 74 CO -0.46 -0.16 -0.31 1.49 -1.16 0.00 0.00 179.01 178.41 1o8r h GLU 75 N -0.25 -0.42 -0.62 2.33 4.81 -0.45 0.21 114.58 120.20 1o8r h GLU 75 Ca 0.09 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1o8r h GLU 75 Cb 0.38 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1o8r h GLU 75 CO -0.26 -0.28 0.41 0.82 -0.73 0.00 0.00 179.01 178.97 1o8r h ILE 76 N -0.44 0.94 -0.34 2.32 1.08 -0.97 0.12 117.51 120.22 1o8r h ILE 76 Ca 0.07 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1o8r h ILE 76 Cb 0.54 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 1o8r h ILE 76 CO -0.29 0.09 0.23 0.00 -0.69 0.00 0.00 178.15 177.49 1o8r h ALA 77 N 1.68 1.86 -0.89 1.87 0.00 0.11 -1.59 119.26 122.30 1o8r h ALA 77 Ca 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1o8r h ALA 77 Cb 0.43 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1o8r h ALA 77 CO -0.08 0.10 0.59 0.93 0.00 0.00 0.00 179.25 180.78 1o8r h GLU 78 N 0.37 1.14 -3.38 0.00 5.08 -0.09 -2.36 114.58 115.32 1o8r h GLU 78 Ca 0.14 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1o8r h GLU 78 Cb 0.09 -0.26 -0.17 0.00 0.50 0.00 0.00 28.75 28.92 1o8r h GLU 78 CO -0.03 0.75 -0.28 0.34 -1.00 0.00 0.00 179.01 178.79 1o8r s ASP 79 N -5.97 -0.08 0.07 1.42 2.15 -0.60 -2.57 116.67 111.08 1o8r s ASP 79 Ca -0.13 -0.25 -0.34 0.00 0.43 0.00 0.00 52.55 52.26 1o8r s ASP 79 Cb 0.17 0.35 -0.19 0.00 -0.30 0.00 0.00 42.92 42.94 1o8r s ASP 79 CO 0.80 -0.62 1.61 -0.65 -0.17 0.00 0.00 175.17 176.14 1o8r h PRO 80 N 3.21 -0.95 0.00 4.34 0.10 -1.87 -3.42 132.00 133.41 1o8r h PRO 80 Ca -0.32 0.07 0.00 0.00 0.10 0.00 0.00 66.00 65.85 1o8r h PRO 80 Cb 1.20 0.22 0.00 0.00 0.10 0.00 0.00 31.00 32.52 1o8r h PRO 80 CO 0.47 -0.63 0.00 0.41 0.10 0.00 0.00 178.00 178.35 1o8r n GLY 81 N -1.49 0.37 0.19 -0.55 0.00 -1.26 -3.40 105.19 99.05 1o8r n GLY 81 Ca -0.14 -0.95 0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 0.17 -0.01 2.61 1.35 -1.97 -3.33 112.91 111.74 1o8r h THR 82 Ca 0.00 -1.24 0.03 0.00 -0.55 0.00 0.00 66.41 64.64 1o8r h THR 82 Cb 0.00 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.42 1o8r h THR 82 CO 0.00 0.10 -0.20 0.00 -0.25 0.00 0.00 175.52 175.17 1o8r h GLU 84 N -0.31 0.00 -0.65 0.00 4.81 -1.71 -1.63 114.58 115.08 1o8r h GLU 84 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1o8r h GLU 84 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1o8r h GLU 84 CO -0.19 0.09 0.00 0.44 -0.73 0.00 0.00 179.01 178.62 1o8r n ILE 85 N -4.01 1.56 -1.31 2.32 -5.35 -0.59 -4.90 119.36 107.08 1o8r n ILE 85 Ca -0.02 -1.05 -0.11 0.00 -0.27 0.00 0.00 62.75 61.29 1o8r n ILE 85 Cb 0.18 0.14 -0.05 0.00 -1.74 0.00 0.00 39.64 38.17 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 0.31 1.59 -2.93 0.00 0.00 -0.63 -4.79 120.51 114.05 1o8r n ALA 87 Ca -0.11 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1o8r n ALA 87 Cb 0.37 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.14 0.86 -2.00 0.00 5.04 -1.26 -5.01 117.35 111.85 1o8r s TYR 88 Ca 0.05 -1.14 0.22 0.00 -2.44 0.00 0.00 57.07 53.76 1o8r s TYR 88 Cb 0.09 -0.03 1.30 0.00 0.35 0.00 0.00 41.96 43.66 1o8r s TYR 88 CO 0.29 -1.06 1.73 0.00 -1.34 0.00 0.00 175.55 175.16 1o8r n ALA 89 N -0.49 2.45 -0.37 3.97 0.00 -1.26 -3.65 120.51 121.16 1o8r n ALA 89 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1o8r n ALA 89 Cb 0.62 -1.35 0.18 0.00 0.00 0.00 0.00 19.45 18.90 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 3.47 1.42 -3.23 0.00 0.00 -1.92 -3.40 119.26 115.60 1o8r h ALA 90 Ca 0.00 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 1o8r h ALA 90 Cb 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 17.79 17.30 1o8r h ALA 90 CO 0.00 0.42 -0.61 0.00 0.00 0.00 0.00 179.25 179.07 1o8r s THR 92 N 0.59 3.74 0.00 0.00 -4.23 -0.87 -4.52 115.64 110.34 1o8r s THR 92 Ca 0.01 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1o8r s THR 92 Cb -0.13 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1o8r s THR 92 CO 0.02 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1o8r n GLY 93 N -0.31 3.18 1.98 3.99 0.00 -1.26 -3.21 105.19 109.56 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