#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 2.34 -0.40 2.52 2.01 -1.25 -4.99 115.64 115.88 1o8r s THR 2 Ca 0.00 -1.68 -0.26 0.00 0.31 0.00 0.00 61.69 60.06 1o8r s THR 2 Cb 0.00 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.50 1o8r s THR 2 CO 0.00 0.12 0.95 -0.69 -0.69 0.00 0.00 174.62 174.31 1o8r s VAL 3 N -1.05 4.52 -0.24 3.82 1.01 -0.34 -2.03 120.40 126.10 1o8r s VAL 3 Ca 0.14 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 1o8r s VAL 3 Cb -0.10 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1o8r s VAL 3 CO 0.06 -0.64 -0.01 -1.58 0.00 0.00 0.00 175.10 172.93 1o8r s GLN 4 N 3.63 3.37 0.00 2.72 0.74 -0.81 0.20 119.66 129.52 1o8r s GLN 4 Ca 0.39 -0.64 0.22 0.00 0.05 0.00 0.00 55.36 55.38 1o8r s GLN 4 Cb -0.11 -3.11 0.49 0.00 1.10 0.00 0.00 33.01 31.38 1o8r s GLN 4 CO 0.21 -0.23 1.43 -0.25 -0.55 0.00 0.00 175.29 175.90 1o8r n ASP 5 N 4.82 3.58 0.00 6.67 8.00 -1.25 -4.81 116.55 133.55 1o8r n ASP 5 Ca -0.17 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1o8r n ASP 5 Cb 0.50 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.47 2.31 0.06 0.44 0.00 -1.26 -4.97 105.19 103.23 1o8r n GLY 6 Ca 0.20 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.18 -4.16 1.61 3.02 -1.26 -4.75 115.26 109.90 1o8r n ASN 7 Ca 0.00 -1.52 -0.26 0.00 -0.03 0.00 0.00 54.58 52.77 1o8r n ASN 7 Cb 0.00 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.00 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1o8r s PHE 8 N -1.97 1.73 0.03 3.10 0.40 -1.26 -5.11 117.98 114.89 1o8r s PHE 8 Ca 0.25 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.84 1o8r s PHE 8 Cb 0.12 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 1o8r s PHE 8 CO 0.19 -0.12 0.99 -1.12 0.70 0.00 0.00 175.22 175.86 1o8r s SER 9 N -0.13 7.38 -0.20 1.36 0.01 -1.26 -3.92 113.70 116.95 1o8r s SER 9 Ca -0.00 1.71 -0.02 0.00 1.31 0.00 0.00 55.95 58.95 1o8r s SER 9 Cb -0.10 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 1o8r s SER 9 CO 0.01 -0.23 -0.08 -0.36 0.41 0.00 0.00 173.24 173.00 1o8r s PHE 10 N 0.76 2.91 0.93 2.43 0.08 0.54 -4.92 117.98 120.72 1o8r s PHE 10 Ca 0.51 -0.98 -0.13 0.00 0.12 0.00 0.00 56.93 56.45 1o8r s PHE 10 Cb -0.22 -2.03 0.15 0.00 -0.57 0.00 0.00 43.02 40.35 1o8r s PHE 10 CO 0.29 -0.52 1.15 -1.54 -0.10 0.00 0.00 175.22 174.50 1o8r s SER 11 N 1.23 3.34 -0.01 1.36 1.04 -1.26 -1.20 113.70 118.21 1o8r s SER 11 Ca 0.03 0.87 0.18 0.00 0.48 0.00 0.00 55.95 57.50 1o8r s SER 11 Cb -0.14 -1.36 -0.21 0.00 0.10 0.00 0.00 66.02 64.40 1o8r s SER 11 CO -0.03 -2.64 0.68 0.18 0.98 0.00 0.00 173.24 172.41 1o8r n LEU 12 N -3.81 0.67 0.00 2.42 7.99 -1.26 -4.50 117.00 118.50 1o8r n LEU 12 Ca 0.08 -0.40 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 1o8r n LEU 12 Cb 0.59 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1o8r n LEU 12 CO 0.55 0.17 0.33 -0.62 -1.51 0.00 0.00 177.39 176.31 1o8r n GLU 13 N -1.57 0.00 -0.33 3.23 1.02 -1.26 -0.75 120.64 120.98 1o8r n GLU 13 Ca 0.02 0.30 0.20 0.00 -0.02 0.00 0.00 57.16 57.65 1o8r n GLU 13 Cb 0.32 -1.21 0.38 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.20 -0.30 1.62 0.02 -1.83 0.85 113.55 113.71 1o8r h SER 14 Ca 0.00 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1o8r h SER 14 Cb 0.00 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1o8r h SER 14 CO 0.00 -0.37 0.15 0.58 -1.14 0.00 0.00 176.83 176.05 1o8r h VAL 15 N 0.02 1.15 -0.23 2.27 2.07 -1.78 0.82 116.25 120.57 1o8r h VAL 15 Ca 0.67 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1o8r h VAL 15 Cb 1.54 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1o8r h VAL 15 CO -0.86 0.15 -0.08 0.50 0.02 0.00 0.00 177.57 177.31 1o8r h LYS 16 N 0.36 -0.03 -0.01 1.57 1.63 0.28 0.40 116.57 120.78 1o8r h LYS 16 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1o8r h LYS 16 Cb 0.11 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1o8r h LYS 16 CO -0.01 -0.02 0.00 1.63 -3.45 0.00 0.00 179.45 177.60 1o8r n LYS 17 N -5.24 1.03 0.29 1.90 4.76 -0.26 -3.67 118.16 116.97 1o8r n LYS 17 Ca -0.01 -0.04 0.16 0.00 -2.87 0.00 0.00 58.31 55.54 1o8r n LYS 17 Cb 0.16 -1.18 0.85 0.00 -1.84 0.00 0.00 35.03 33.02 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1o8r h LEU 18 N 0.08 0.00 -1.06 -0.35 5.85 0.52 -2.21 115.31 118.14 1o8r h LEU 18 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1o8r h LEU 18 Cb 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1o8r h LEU 18 CO 0.00 0.06 -0.32 0.50 -0.34 0.00 0.00 178.44 178.35 1o8r h LYS 19 N 0.00 0.27 -5.11 1.25 3.64 -1.70 -3.36 116.57 111.55 1o8r h LYS 19 Ca -0.00 -0.10 -0.67 0.00 -1.27 0.00 0.00 60.65 58.61 1o8r h LYS 19 Cb 0.24 -0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 31.72 1o8r h LYS 19 CO 0.01 0.56 -0.81 0.34 -2.27 0.00 0.00 179.45 177.28 1o8r s ASP 20 N -6.87 3.57 0.67 4.20 2.15 -0.83 -4.88 116.67 114.68 1o8r s ASP 20 Ca -0.05 -0.52 -0.07 0.00 0.43 0.00 0.00 52.55 52.34 1o8r s ASP 20 Cb 0.14 -1.56 0.04 0.00 -0.30 0.00 0.00 42.92 41.24 1o8r s ASP 20 CO 0.76 0.04 0.99 -0.22 -0.17 0.00 0.00 175.17 176.56 1o8r s LEU 21 N 1.11 2.95 -1.13 -1.34 2.96 -1.26 -4.42 118.68 117.54 1o8r s LEU 21 Ca 0.00 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1o8r s LEU 21 Cb -0.14 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 1o8r s LEU 21 CO -0.05 -1.42 0.96 0.00 -1.32 0.00 0.00 176.35 174.51 1o8r n GLN 22 N -2.82 -4.53 -4.18 1.98 6.02 -1.26 -5.02 117.38 107.56 1o8r n GLN 22 Ca 0.07 0.85 -0.11 0.00 -0.01 0.00 0.00 57.00 57.80 1o8r n GLN 22 Cb 0.59 -5.83 -0.10 0.00 1.02 0.00 0.00 30.24 25.92 1o8r n GLN 22 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1o8r s GLU 23 N -4.93 0.92 0.13 -1.09 0.41 -1.26 -5.11 118.70 107.78 1o8r s GLU 23 Ca 0.22 -1.42 -0.31 0.00 -0.41 0.00 0.00 54.97 53.05 1o8r s GLU 23 Cb -0.03 -0.06 -0.11 0.00 -1.78 0.00 0.00 34.13 32.16 1o8r s GLU 23 CO 0.74 -0.13 1.84 -2.14 -0.49 0.00 0.00 175.26 175.08 1o8r s PRO 24 N -3.93 4.13 0.31 0.39 0.01 -1.26 -4.87 135.00 129.78 1o8r s PRO 24 Ca 0.18 2.62 0.01 0.00 0.01 0.00 0.00 61.00 63.83 1o8r s PRO 24 Cb 0.06 -3.57 0.55 0.00 0.01 0.00 0.00 34.50 31.56 1o8r s PRO 24 CO -0.01 -0.85 1.94 1.96 0.01 0.00 0.00 177.00 180.05 1o8r h GLN 25 N 8.53 0.97 -2.07 5.54 4.20 -2.00 -3.33 115.11 126.96 1o8r h GLN 25 Ca -0.46 -0.06 -0.52 0.00 0.06 0.00 0.00 58.65 57.67 1o8r h GLN 25 Cb 1.22 -0.22 -0.35 0.00 0.30 0.00 0.00 27.48 28.43 1o8r h GLN 25 CO 0.95 0.64 -0.92 0.39 -0.67 0.00 0.00 178.83 179.22 1o8r n GLU 26 N -4.46 0.32 -1.89 1.46 1.02 -1.26 -4.53 120.64 111.30 1o8r n GLU 26 Ca 0.12 -2.99 -0.39 0.00 -0.02 0.00 0.00 57.16 53.87 1o8r n GLU 26 Cb 0.15 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 1o8r n GLU 26 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1o8r s PRO 27 N -0.00 3.69 0.51 3.49 0.02 -1.25 -4.92 135.00 136.53 1o8r s PRO 27 Ca 0.33 2.29 -0.21 0.00 0.02 0.00 0.00 61.00 63.43 1o8r s PRO 27 Cb 0.06 -2.61 -0.08 0.00 0.02 0.00 0.00 34.50 31.88 1o8r s PRO 27 CO -0.17 -0.77 0.87 0.54 -0.33 0.00 0.00 177.00 177.14 1o8r n ARG 28 N -0.24 0.98 -1.27 5.54 1.74 -1.26 -4.63 116.66 117.52 1o8r n ARG 28 Ca 0.06 0.36 0.15 0.00 -0.77 0.00 0.00 57.85 57.65 1o8r n ARG 28 Cb 0.43 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 1o8r n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1o8r n VAL 29 N -1.19 -0.23 -0.68 1.55 0.31 -1.26 -4.86 118.33 111.97 1o8r n VAL 29 Ca 0.11 0.51 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 1o8r n VAL 29 Cb 0.44 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1o8r n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o8r n GLY 30 N -3.93 0.62 0.44 2.92 0.00 -1.26 -4.91 105.19 99.07 1o8r n GLY 30 Ca -0.05 -0.32 0.25 0.00 0.00 0.00 0.00 46.02 45.91 1o8r n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1o8r h LYS 31 N 1.12 0.00 -0.92 1.61 1.57 -1.89 0.43 116.57 118.48 1o8r h LYS 31 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1o8r h LYS 31 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1o8r h LYS 31 CO 0.00 0.00 0.57 -0.07 -0.57 0.00 0.00 179.45 179.38 1o8r h LEU 32 N 0.00 0.87 -3.49 2.94 3.38 -2.00 -3.46 115.31 113.54 1o8r h LEU 32 Ca 0.34 0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.92 1o8r h LEU 32 Cb 1.50 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 42.11 1o8r h LEU 32 CO -0.00 0.51 -1.04 0.54 0.09 0.00 0.00 178.44 178.54 1o8r n ARG 33 N -4.62 -1.51 -2.31 1.13 1.74 0.14 -4.86 116.66 106.36 1o8r n ARG 33 Ca 0.15 0.86 -0.22 0.00 -0.77 0.00 0.00 57.85 57.87 1o8r n ARG 33 Cb 0.25 -1.94 0.02 0.00 -1.02 0.00 0.00 32.46 29.77 1o8r n ARG 33 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1o8r n ASN 34 N -1.63 4.31 -4.40 0.55 0.23 -1.24 -4.22 115.26 108.85 1o8r n ASN 34 Ca -0.23 -3.52 -0.36 0.00 -0.53 0.00 0.00 54.58 49.94 1o8r n ASN 34 Cb 0.63 -0.41 -0.13 0.00 -2.08 0.00 0.00 39.78 37.79 1o8r n ASN 34 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1o8r s PHE 35 N -3.56 3.05 -0.23 -2.53 0.08 -1.26 -4.73 117.98 108.79 1o8r s PHE 35 Ca 0.46 -0.58 -0.29 0.00 0.12 0.00 0.00 56.93 56.64 1o8r s PHE 35 Cb 0.40 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 1o8r s PHE 35 CO -0.05 -0.42 1.39 0.00 -0.10 0.00 0.00 175.22 176.04 1o8r s ALA 36 N 1.57 3.44 -1.43 5.36 0.00 -1.26 -4.59 121.76 124.86 1o8r s ALA 36 Ca 0.06 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.43 1o8r s ALA 36 Cb -0.15 -3.75 0.31 0.00 0.00 0.00 0.00 23.12 19.53 1o8r s ALA 36 CO 0.01 -1.62 1.04 -0.35 0.00 0.00 0.00 175.76 174.85 1o8r n PRO 37 N 7.18 0.09 -2.06 0.00 -0.05 -1.26 -4.87 135.00 134.03 1o8r n PRO 37 Ca 0.16 0.23 -0.03 0.00 -0.05 0.00 0.00 63.50 63.81 1o8r n PRO 37 Cb 0.45 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.41 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 -1.29 -5.48 -1.11 0.52 -0.00 -1.26 -4.93 119.36 105.81 1o8r n ILE 38 Ca 0.03 0.27 -0.33 0.00 -0.00 0.00 0.00 62.75 62.72 1o8r n ILE 38 Cb 0.05 -5.25 0.12 0.00 -0.00 0.00 0.00 39.64 34.57 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 -1.92 1.67 0.00 0.38 0.05 -1.26 -4.65 135.00 129.27 1o8r s PRO 39 Ca 0.08 1.64 0.00 0.00 0.05 0.00 0.00 61.00 62.77 1o8r s PRO 39 Cb -0.02 -1.79 0.00 0.00 0.05 0.00 0.00 34.50 32.74 1o8r s PRO 39 CO 0.31 -2.17 0.00 0.41 0.05 0.00 0.00 177.00 175.60 1o8r n GLY 40 N 0.22 0.98 3.55 0.56 0.00 -1.26 -5.02 105.19 104.21 1o8r n GLY 40 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1o8r n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o8r s GLU 41 N 0.05 1.84 0.76 1.61 2.02 -1.26 -5.09 118.70 118.63 1o8r s GLU 41 Ca 0.00 -2.03 -0.14 0.00 0.02 0.00 0.00 54.97 52.82 1o8r s GLU 41 Cb 0.00 -1.36 0.06 0.00 0.10 0.00 0.00 34.13 32.93 1o8r s GLU 41 CO 0.00 -0.09 1.19 -1.25 0.02 0.00 0.00 175.26 175.13 1o8r s PRO 42 N -3.77 1.95 -0.19 0.39 0.05 -1.26 -4.12 135.00 128.04 1o8r s PRO 42 Ca 0.35 1.71 -0.17 0.00 0.05 0.00 0.00 61.00 62.94 1o8r s PRO 42 Cb 0.09 -1.82 0.03 0.00 0.05 0.00 0.00 34.50 32.85 1o8r s PRO 42 CO 0.17 -1.97 0.29 1.55 0.05 0.00 0.00 177.00 177.09 1o8r n VAL 43 N -3.00 -2.16 -1.32 -0.36 3.14 -1.26 -4.23 118.33 109.14 1o8r n VAL 43 Ca 0.13 0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.67 1o8r n VAL 43 Cb 0.51 -2.27 0.00 0.00 -1.06 0.00 0.00 33.84 31.01 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 0.31 0.00 -1.72 1.55 0.31 -1.26 -4.39 118.33 113.13 1o8r n VAL 44 Ca -0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1o8r n VAL 44 Cb 0.42 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.34 1o8r n VAL 44 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1o8r n PRO 45 N -0.07 2.33 -0.35 5.55 -0.01 -1.26 -4.48 135.00 136.70 1o8r n PRO 45 Ca 0.00 0.82 0.33 0.00 -0.01 0.00 0.00 63.50 64.64 1o8r n PRO 45 Cb 0.00 -2.48 0.60 0.00 -0.01 0.00 0.00 33.50 31.61 1o8r n PRO 45 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 175.50 174.65 1o8r h ILE 46 N 2.88 0.02 -0.57 4.25 3.07 -1.77 2.10 117.51 127.50 1o8r h ILE 46 Ca -0.47 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1o8r h ILE 46 Cb 1.26 -0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1o8r h ILE 46 CO 0.69 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.97 1o8r n LEU 47 N -5.14 4.24 0.12 0.16 4.32 -1.26 -4.41 117.00 115.03 1o8r n LEU 47 Ca 0.38 -2.14 -0.11 0.00 -0.02 0.00 0.00 56.01 54.12 1o8r n LEU 47 Cb 1.33 -0.54 -0.07 0.00 -1.62 0.00 0.00 43.42 42.51 1o8r n LEU 47 CO 0.05 0.72 0.41 0.00 -1.22 0.00 0.00 177.39 177.35 1o8r h SER 49 N -0.89 0.00 -1.91 0.00 4.64 -1.77 -3.43 113.55 110.18 1o8r h SER 49 Ca -0.04 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.64 1o8r h SER 49 Cb 0.51 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.66 1o8r h SER 49 CO 0.06 0.03 0.52 0.59 -0.87 0.00 0.00 176.83 177.16 1o8r n ASN 50 N -3.91 2.02 0.00 4.97 3.02 -1.12 -4.78 115.26 115.45 1o8r n ASN 50 Ca -0.03 1.11 0.04 0.00 -0.03 0.00 0.00 54.58 55.68 1o8r n ASN 50 Cb 0.12 -1.26 0.26 0.00 -0.61 0.00 0.00 39.78 38.28 1o8r n ASN 50 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1o8r n PRO 51 N 2.62 0.32 -0.09 3.52 -0.05 -1.26 -1.90 135.00 138.16 1o8r n PRO 51 Ca 0.17 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.66 1o8r n PRO 51 Cb 0.23 -1.42 0.09 0.00 -0.05 0.00 0.00 33.50 32.34 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 -0.92 2.37 -3.39 3.54 5.03 -1.26 -4.92 115.26 115.72 1o8r n ASN 52 Ca 0.07 -1.81 -0.21 0.00 0.87 0.00 0.00 54.58 53.49 1o8r n ASN 52 Cb 0.03 -0.12 0.15 0.00 -1.02 0.00 0.00 39.78 38.82 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 0.29 -3.99 -0.92 3.10 -1.74 -0.80 -4.80 117.46 108.60 1o8r n PHE 53 Ca 0.07 -0.86 -0.35 0.00 -0.56 0.00 0.00 57.45 55.75 1o8r n PHE 53 Cb 0.32 -0.75 -0.11 0.00 1.52 0.00 0.00 39.48 40.46 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 -3.05 0.18 -0.52 3.97 -0.02 -1.26 -4.66 135.00 129.64 1o8r n PRO 54 Ca 0.12 -1.32 0.43 0.00 -2.02 0.00 0.00 63.50 60.71 1o8r n PRO 54 Cb 0.42 -3.01 0.66 0.00 -0.02 0.00 0.00 33.50 31.55 1o8r n PRO 54 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1o8r n GLU 55 N 7.99 0.00 0.25 -0.52 2.13 -1.26 0.26 120.64 129.49 1o8r n GLU 55 Ca 0.45 1.01 0.18 0.00 0.66 0.00 0.00 57.16 59.46 1o8r n GLU 55 Cb 0.44 -2.38 0.86 0.00 0.27 0.00 0.00 31.44 30.62 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 -0.51 5.31 5.08 -1.94 0.99 114.58 123.51 1o8r h GLU 56 Ca 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1o8r h GLU 56 Cb 3.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.58 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 -3.35 2.71 -0.37 1.33 4.77 0.72 -4.49 117.00 118.33 1o8r n LEU 57 Ca 0.01 -1.36 0.04 0.00 -0.03 0.00 0.00 56.01 54.66 1o8r n LEU 57 Cb 0.37 -0.36 0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1o8r n LEU 57 CO 0.21 0.60 0.63 0.29 -1.33 0.00 0.00 177.39 177.79 1o8r n LYS 58 N 0.78 -0.14 -0.22 3.23 4.76 0.34 0.72 118.16 127.64 1o8r n LYS 58 Ca 0.16 1.54 -0.01 0.00 -2.87 0.00 0.00 58.31 57.13 1o8r n LYS 58 Cb 0.46 -2.30 0.11 0.00 -1.84 0.00 0.00 35.03 31.46 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 0.54 -0.88 1.97 0.10 -1.82 -1.47 132.00 130.44 1o8r h PRO 59 Ca 0.43 -0.03 0.05 0.00 0.10 0.00 0.00 66.00 66.55 1o8r h PRO 59 Cb 0.68 -0.12 -0.06 0.00 0.10 0.00 0.00 31.00 31.60 1o8r h PRO 59 CO -1.01 0.36 0.56 -0.07 0.10 0.00 0.00 178.00 177.93 1o8r h LEU 60 N 0.55 0.90 -1.60 2.35 4.07 -0.03 0.19 115.31 121.75 1o8r h LEU 60 Ca 0.31 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.23 1o8r h LEU 60 Cb 0.29 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1o8r h LEU 60 CO -0.24 0.60 -0.20 0.00 -1.08 0.00 0.00 178.44 177.52 1o8r n LYS 62 N -3.72 2.23 -4.46 0.00 5.02 -0.15 -4.91 118.16 112.18 1o8r n LYS 62 Ca -0.01 -1.80 -0.35 0.00 -2.02 0.00 0.00 58.31 54.13 1o8r n LYS 62 Cb 0.31 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.91 2.91 0.62 1.97 -1.05 0.50 -4.98 118.70 116.76 1o8r s GLU 63 Ca 0.32 -0.45 0.38 0.00 -0.15 0.00 0.00 54.97 55.06 1o8r s GLU 63 Cb 0.21 -2.73 2.06 0.00 -0.44 0.00 0.00 34.13 33.22 1o8r s GLU 63 CO 0.31 0.69 2.27 -1.35 0.95 0.00 0.00 175.26 178.12 1o8r h PRO 64 N 5.20 0.00 0.00 -4.83 0.11 -1.90 -1.31 132.00 129.27 1o8r h PRO 64 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1o8r h PRO 64 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1o8r h PRO 64 CO 0.54 0.02 0.00 0.09 -0.21 0.00 0.00 178.00 178.43 1o8r n ASN 65 N -3.31 0.22 -0.31 -2.05 3.02 -1.26 -3.62 115.26 107.95 1o8r n ASN 65 Ca -0.02 0.52 0.31 0.00 -0.03 0.00 0.00 54.58 55.36 1o8r n ASN 65 Cb 0.12 -0.58 0.67 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.84 2.82 -0.73 5.41 0.00 -1.35 0.62 119.26 128.88 1o8r h ALA 66 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1o8r h ALA 66 Cb 0.55 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1o8r h ALA 66 CO 0.00 -1.18 0.37 1.96 0.00 0.00 0.00 179.25 180.41 1o8r h GLN 67 N 0.12 1.03 0.21 0.00 4.20 -1.80 1.09 115.11 119.95 1o8r h GLN 67 Ca 0.56 -0.13 -0.28 0.00 0.06 0.00 0.00 58.65 58.87 1o8r h GLN 67 Cb 1.98 -0.20 0.03 0.00 0.30 0.00 0.00 27.48 29.60 1o8r h GLN 67 CO -0.10 0.77 -1.23 0.93 -0.67 0.00 0.00 178.83 178.54 1o8r h GLU 68 N 1.03 0.44 -0.05 1.46 5.08 -0.10 -3.29 114.58 119.15 1o8r h GLU 68 Ca 0.25 -0.75 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1o8r h GLU 68 Cb 0.07 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1o8r h GLU 68 CO -0.04 1.36 -0.01 0.82 -1.00 0.00 0.00 179.01 180.14 1o8r h ILE 69 N -0.07 1.29 -0.24 3.13 2.04 -0.83 -3.03 117.51 119.79 1o8r h ILE 69 Ca -0.22 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 64.77 1o8r h ILE 69 Cb 1.96 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 1o8r h ILE 69 CO 0.22 0.24 -0.17 0.25 0.00 0.00 0.00 178.15 178.69 1o8r h LEU 70 N -0.26 -0.61 -0.70 1.44 7.12 0.11 1.91 115.31 124.32 1o8r h LEU 70 Ca 0.01 0.09 0.13 0.00 0.13 0.00 0.00 57.88 58.24 1o8r h LEU 70 Cb 0.39 0.26 -0.13 0.00 -0.53 0.00 0.00 40.66 40.66 1o8r h LEU 70 CO 0.00 -0.08 -0.26 1.56 -0.13 0.00 0.00 178.44 179.53 1o8r h GLN 71 N -0.04 -0.06 0.06 1.25 4.20 -1.63 -0.58 115.11 118.31 1o8r h GLN 71 Ca 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1o8r h GLN 71 Cb 0.14 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1o8r h GLN 71 CO -0.24 -0.04 -0.03 0.00 -0.67 0.00 0.00 178.83 177.84 1o8r h ARG 72 N -0.07 -0.08 -0.37 1.46 3.08 -0.82 -2.21 114.38 115.37 1o8r h ARG 72 Ca 0.31 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.41 1o8r h ARG 72 Cb 0.55 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.54 1o8r h ARG 72 CO -0.75 0.11 -0.55 1.25 -1.07 0.00 0.00 179.97 178.96 1o8r h LEU 73 N -0.25 -1.83 -0.50 3.04 5.85 0.43 0.54 115.31 122.59 1o8r h LEU 73 Ca -0.01 0.24 0.10 0.00 0.84 0.00 0.00 57.88 59.05 1o8r h LEU 73 Cb 0.22 0.75 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 1o8r h LEU 73 CO 0.01 -0.41 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.30 1o8r h GLU 74 N -0.42 0.04 -0.12 1.25 5.08 -1.15 0.04 114.58 119.31 1o8r h GLU 74 Ca 0.07 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1o8r h GLU 74 Cb 0.60 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1o8r h GLU 74 CO -0.57 0.03 -0.31 1.49 -1.00 0.00 0.00 179.01 178.65 1o8r h GLU 75 N 0.04 -0.38 -0.95 2.33 4.81 -0.38 -0.36 114.58 119.70 1o8r h GLU 75 Ca 0.24 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1o8r h GLU 75 Cb 0.38 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 1o8r h GLU 75 CO -0.47 -0.25 0.62 0.82 -0.73 0.00 0.00 179.01 178.99 1o8r h ILE 76 N -0.39 1.08 -0.67 2.32 1.08 -0.17 0.13 117.51 120.89 1o8r h ILE 76 Ca 0.09 -0.38 0.11 0.00 -0.39 0.00 0.00 64.86 64.29 1o8r h ILE 76 Cb 0.53 -0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.12 1o8r h ILE 76 CO -0.34 0.20 0.45 0.00 -0.69 0.00 0.00 178.15 177.77 1o8r h ALA 77 N 1.48 1.99 -0.60 1.87 0.00 0.65 -0.92 119.26 123.74 1o8r h ALA 77 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1o8r h ALA 77 Cb 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1o8r h ALA 77 CO -0.16 -0.15 0.28 1.49 0.00 0.00 0.00 179.25 180.72 1o8r h GLU 78 N 0.47 0.87 -3.40 0.00 4.81 -0.03 -3.36 114.58 113.94 1o8r h GLU 78 Ca 0.32 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1o8r h GLU 78 Cb 0.60 -0.15 -0.14 0.00 0.63 0.00 0.00 28.75 29.68 1o8r h GLU 78 CO -0.10 0.70 -0.15 0.16 -0.73 0.00 0.00 179.01 178.90 1o8r s ASP 79 N -6.01 -0.17 0.08 1.04 -4.77 -0.35 -3.68 116.67 102.82 1o8r s ASP 79 Ca -0.13 -0.31 -0.29 0.00 -3.30 0.00 0.00 52.55 48.52 1o8r s ASP 79 Cb 0.13 0.43 -0.17 0.00 -1.09 0.00 0.00 42.92 42.22 1o8r s ASP 79 CO 0.78 -0.77 1.67 1.55 0.70 0.00 0.00 175.17 179.10 1o8r h PRO 80 N 2.63 -0.56 0.00 2.11 0.13 -1.89 -3.41 132.00 131.03 1o8r h PRO 80 Ca -0.33 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1o8r h PRO 80 Cb 1.23 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1o8r h PRO 80 CO 0.48 -0.37 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 1o8r n GLY 81 N -1.34 1.37 0.19 1.56 0.00 -1.26 -3.02 105.19 102.69 1o8r n GLY 81 Ca -0.11 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 0.07 -0.45 2.61 1.35 -1.97 -3.32 112.91 111.20 1o8r h THR 82 Ca 0.00 -1.10 0.03 0.00 -0.55 0.00 0.00 66.41 64.80 1o8r h THR 82 Cb 0.00 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.31 1o8r h THR 82 CO 0.00 0.04 0.24 0.00 -0.25 0.00 0.00 175.52 175.55 1o8r h GLU 84 N 0.48 0.00 -0.43 0.00 4.81 -1.65 -1.68 114.58 116.11 1o8r h GLU 84 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1o8r h GLU 84 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1o8r h GLU 84 CO -0.12 0.10 0.00 0.44 -0.73 0.00 0.00 179.01 178.70 1o8r n ILE 85 N -4.31 0.55 -0.88 2.32 -5.35 -0.63 -4.91 119.36 106.15 1o8r n ILE 85 Ca -0.03 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1o8r n ILE 85 Cb 0.18 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r h ALA 87 N 0.00 1.00 -2.53 0.00 0.00 -1.49 -3.43 119.26 112.81 1o8r h ALA 87 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1o8r h ALA 87 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.02 1o8r h ALA 87 CO 0.00 0.00 -0.75 -0.47 0.00 0.00 0.00 179.25 178.03 1o8r s TYR 88 N -3.68 1.55 -1.94 0.00 5.04 -1.21 -4.99 117.35 112.12 1o8r s TYR 88 Ca -0.00 -0.58 0.18 0.00 -2.44 0.00 0.00 57.07 54.23 1o8r s TYR 88 Cb 0.10 -0.77 1.08 0.00 0.35 0.00 0.00 41.96 42.71 1o8r s TYR 88 CO 0.42 0.24 1.50 0.00 -1.34 0.00 0.00 175.55 176.37 1o8r n ALA 89 N 0.03 2.16 0.08 3.97 0.00 -1.26 -3.16 120.51 122.33 1o8r n ALA 89 Ca -0.11 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.24 1o8r n ALA 89 Cb 0.59 -1.30 0.40 0.00 0.00 0.00 0.00 19.45 19.14 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 3.12 1.57 -3.06 0.00 0.00 -1.93 -3.39 119.26 115.58 1o8r h ALA 90 Ca 0.00 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.08 1o8r h ALA 90 Cb 0.02 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 17.42 1o8r h ALA 90 CO 0.00 0.32 -0.60 0.00 0.00 0.00 0.00 179.25 178.97 1o8r s THR 92 N 1.46 2.45 0.00 0.00 -4.23 -0.86 -4.51 115.64 109.96 1o8r s THR 92 Ca 0.00 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1o8r s THR 92 Cb -0.19 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1o8r s THR 92 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1o8r n GLY 93 N -1.97 2.11 0.00 3.99 0.00 -1.26 -3.74 105.19 104.31 1o8r n GLY 93 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32