#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 2.33 -0.27 2.52 2.01 -1.24 -4.80 115.64 116.19 1o8r s THR 2 Ca 0.00 -1.53 -0.21 0.00 0.31 0.00 0.00 61.69 60.26 1o8r s THR 2 Cb 0.00 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1o8r s THR 2 CO 0.00 0.22 0.64 -0.69 -0.69 0.00 0.00 174.62 174.11 1o8r s VAL 3 N -0.96 4.95 -0.15 3.82 1.01 0.94 -1.98 120.40 128.05 1o8r s VAL 3 Ca 0.14 1.05 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 1o8r s VAL 3 Cb -0.10 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1o8r s VAL 3 CO 0.05 -0.05 -0.08 -1.58 0.00 0.00 0.00 175.10 173.44 1o8r s GLN 4 N 2.57 3.52 0.00 2.72 0.74 -0.72 0.17 119.66 128.66 1o8r s GLN 4 Ca 0.26 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 55.07 1o8r s GLN 4 Cb -0.15 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.17 1o8r s GLN 4 CO 0.10 0.20 0.00 -0.25 -0.55 0.00 0.00 175.29 174.79 1o8r n ASP 5 N 3.61 0.00 0.00 6.67 8.00 -1.16 -4.80 116.55 128.87 1o8r n ASP 5 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1o8r n ASP 5 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 2.56 0.63 0.31 0.44 0.00 -1.26 -4.85 105.19 103.02 1o8r n GLY 6 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.90 -4.29 1.61 5.03 -1.26 -4.80 115.26 112.45 1o8r n ASN 7 Ca 0.00 -1.87 -0.31 0.00 0.87 0.00 0.00 54.58 53.27 1o8r n ASN 7 Cb 0.00 -0.10 -0.16 0.00 -1.02 0.00 0.00 39.78 38.50 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1o8r s PHE 8 N -1.81 2.36 -0.08 3.10 0.08 -1.26 -5.11 117.98 115.26 1o8r s PHE 8 Ca 0.17 -0.57 -0.21 0.00 0.12 0.00 0.00 56.93 56.44 1o8r s PHE 8 Cb 0.09 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1o8r s PHE 8 CO 0.13 -0.12 0.62 0.45 -0.10 0.00 0.00 175.22 176.19 1o8r s SER 9 N -0.39 6.88 -0.13 1.36 0.15 -1.26 -2.99 113.70 117.32 1o8r s SER 9 Ca 0.04 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.77 1o8r s SER 9 Cb -0.12 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1o8r s SER 9 CO 0.01 -0.06 -0.21 -0.36 1.20 0.00 0.00 173.24 173.82 1o8r s PHE 10 N 0.68 2.66 0.88 3.44 0.08 0.45 -4.91 117.98 121.26 1o8r s PHE 10 Ca 0.33 -1.18 -0.12 0.00 0.12 0.00 0.00 56.93 56.08 1o8r s PHE 10 Cb -0.17 -1.79 0.12 0.00 -0.57 0.00 0.00 43.02 40.61 1o8r s PHE 10 CO 0.15 -0.52 1.14 0.45 -0.10 0.00 0.00 175.22 176.34 1o8r s SER 11 N 0.65 3.80 0.00 1.36 0.15 -1.26 -0.04 113.70 118.36 1o8r s SER 11 Ca -0.11 0.99 0.21 0.00 0.70 0.00 0.00 55.95 57.74 1o8r s SER 11 Cb -0.16 -1.59 0.09 0.00 -1.71 0.00 0.00 66.02 62.65 1o8r s SER 11 CO 0.02 -2.37 1.09 0.18 1.20 0.00 0.00 173.24 173.36 1o8r n LEU 12 N -3.65 2.36 0.00 3.45 4.77 -1.26 -4.49 117.00 118.18 1o8r n LEU 12 Ca 0.07 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1o8r n LEU 12 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1o8r n LEU 12 CO 0.57 0.42 0.12 -0.62 -1.33 0.00 0.00 177.39 176.55 1o8r n GLU 13 N 0.63 0.00 -0.32 3.23 1.02 -1.26 -1.94 120.64 121.99 1o8r n GLU 13 Ca 0.10 0.32 0.22 0.00 -0.02 0.00 0.00 57.16 57.78 1o8r n GLU 13 Cb 0.48 -0.96 0.43 0.00 -0.02 0.00 0.00 31.44 31.36 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 0.17 -0.32 1.62 0.02 -1.97 0.44 113.55 113.50 1o8r h SER 14 Ca 0.00 0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1o8r h SER 14 Cb 0.00 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1o8r h SER 14 CO 0.00 -0.26 0.05 -0.37 -1.14 0.00 0.00 176.83 175.11 1o8r h VAL 15 N 0.16 1.24 -0.54 2.27 -1.51 -1.79 0.27 116.25 116.35 1o8r h VAL 15 Ca 0.69 -0.83 0.09 0.00 -1.23 0.00 0.00 66.70 65.43 1o8r h VAL 15 Cb 1.60 1.17 -0.07 0.00 -2.13 0.00 0.00 31.29 31.85 1o8r h VAL 15 CO -0.71 0.27 0.13 0.50 -1.23 0.00 0.00 177.57 176.53 1o8r h LYS 16 N 0.35 0.27 -0.00 5.19 3.64 0.52 0.53 116.57 127.07 1o8r h LYS 16 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1o8r h LYS 16 Cb 0.36 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1o8r h LYS 16 CO 0.01 0.18 -0.00 1.17 -2.27 0.00 0.00 179.45 178.53 1o8r n LYS 17 N -5.09 0.86 -0.19 1.90 3.00 -0.65 -3.62 118.16 114.38 1o8r n LYS 17 Ca 0.07 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.31 58.26 1o8r n LYS 17 Cb 0.26 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.80 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1o8r h LEU 18 N 0.05 0.97 -0.54 3.14 5.85 0.37 -2.68 115.31 122.48 1o8r h LEU 18 Ca 0.00 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1o8r h LEU 18 Cb 0.09 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1o8r h LEU 18 CO 0.00 1.06 0.26 0.50 -0.34 0.00 0.00 178.44 179.92 1o8r h LYS 19 N 0.86 0.48 -2.32 1.25 3.64 -1.62 -3.20 116.57 115.68 1o8r h LYS 19 Ca 0.15 -0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.87 1o8r h LYS 19 Cb 0.58 -0.11 -0.40 0.00 -0.41 0.00 0.00 32.23 31.90 1o8r h LYS 19 CO 0.03 0.32 -0.38 -3.47 -2.27 0.00 0.00 179.45 173.68 1o8r n ASP 20 N -4.90 4.17 -0.13 4.20 2.03 -1.15 -4.91 116.55 115.87 1o8r n ASP 20 Ca 0.05 -3.44 -0.04 0.00 0.52 0.00 0.00 54.79 51.88 1o8r n ASP 20 Cb 0.16 -0.76 0.04 0.00 -0.72 0.00 0.00 41.12 39.84 1o8r n ASP 20 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1o8r h LEU 21 N 4.38 -0.06 0.00 -2.67 5.85 -1.47 -3.47 115.31 117.86 1o8r h LEU 21 Ca 0.20 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1o8r h LEU 21 Cb 0.65 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1o8r h LEU 21 CO 0.91 0.00 -0.06 1.67 -0.34 0.00 0.00 178.44 180.63 1o8r n GLN 22 N -5.14 -0.32 -1.53 1.25 7.27 -1.26 -4.53 117.38 113.12 1o8r n GLN 22 Ca 0.03 0.21 -0.40 0.00 0.07 0.00 0.00 57.00 56.92 1o8r n GLN 22 Cb 0.21 -0.39 0.02 0.00 2.41 0.00 0.00 30.24 32.49 1o8r n GLN 22 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1o8r n GLU 23 N -1.04 0.82 -1.76 3.69 0.28 -1.26 -4.83 120.64 116.54 1o8r n GLU 23 Ca 0.00 0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.89 1o8r n GLU 23 Cb 0.07 -1.81 -0.02 0.00 1.43 0.00 0.00 31.44 31.11 1o8r n GLU 23 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1o8r s PRO 24 N -2.03 4.12 -0.35 3.44 0.04 -1.26 -4.90 135.00 134.06 1o8r s PRO 24 Ca 0.67 2.59 0.05 0.00 0.04 0.00 0.00 61.00 64.34 1o8r s PRO 24 Cb -0.51 -3.04 0.20 0.00 0.04 0.00 0.00 34.50 31.18 1o8r s PRO 24 CO 0.55 -0.68 1.18 0.94 0.04 0.00 0.00 177.00 179.03 1o8r n GLN 25 N 2.89 0.60 -2.58 4.56 7.27 -1.26 -5.02 117.38 123.84 1o8r n GLN 25 Ca 0.11 -1.17 -0.17 0.00 0.07 0.00 0.00 57.00 55.85 1o8r n GLN 25 Cb 0.37 -0.02 0.02 0.00 2.41 0.00 0.00 30.24 33.01 1o8r n GLN 25 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1o8r n GLU 26 N -0.54 2.13 0.21 3.69 0.00 -1.26 -4.86 120.64 120.01 1o8r n GLU 26 Ca -0.17 -3.80 0.07 0.00 0.00 0.00 0.00 57.16 53.26 1o8r n GLU 26 Cb 0.73 -1.68 0.58 0.00 0.00 0.00 0.00 31.44 31.08 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1o8r h PRO 27 N 2.82 0.10 -4.77 5.31 0.13 -2.03 -3.44 132.00 130.12 1o8r h PRO 27 Ca 0.07 -0.01 -0.37 0.00 -0.87 0.00 0.00 66.00 64.83 1o8r h PRO 27 Cb 1.07 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 1o8r h PRO 27 CO 0.65 0.09 -0.56 1.03 -0.23 0.00 0.00 178.00 178.99 1o8r s ARG 28 N -5.10 1.50 0.20 0.86 0.52 -1.26 -5.17 118.95 110.49 1o8r s ARG 28 Ca -0.06 -1.84 0.09 0.00 -0.52 0.00 0.00 55.73 53.41 1o8r s ARG 28 Cb 0.17 0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.83 1o8r s ARG 28 CO 0.68 -0.51 -0.18 0.14 0.02 0.00 0.00 175.30 175.45 1o8r s VAL 29 N -3.77 1.99 0.85 3.52 -7.23 -1.26 -5.14 120.40 109.35 1o8r s VAL 29 Ca 0.39 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1o8r s VAL 29 Cb 0.05 -2.03 0.18 0.00 0.56 0.00 0.00 36.38 35.14 1o8r s VAL 29 CO 0.20 -0.39 1.16 -0.83 -0.31 0.00 0.00 175.10 174.92 1o8r s GLY 30 N -3.03 1.78 0.20 2.32 0.00 -1.26 -4.98 107.32 102.35 1o8r s GLY 30 Ca 0.21 -1.64 -0.08 0.00 0.00 0.00 0.00 44.72 43.21 1o8r s GLY 30 CO 0.09 -0.94 1.72 0.50 0.00 0.00 0.00 173.10 174.47 1o8r h LYS 31 N -1.07 1.12 -1.92 2.90 1.57 -2.07 -3.44 116.57 113.64 1o8r h LYS 31 Ca -0.38 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1o8r h LYS 31 Cb 1.24 -0.14 -0.22 0.00 0.08 0.00 0.00 32.23 33.19 1o8r h LYS 31 CO 0.35 1.00 0.14 -1.17 -0.57 0.00 0.00 179.45 179.20 1o8r s LEU 32 N -9.51 -0.77 -0.05 2.94 2.96 -1.26 -5.09 118.68 107.89 1o8r s LEU 32 Ca -0.12 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.19 1o8r s LEU 32 Cb 0.15 2.33 0.00 0.00 0.50 0.00 0.00 46.19 49.17 1o8r s LEU 32 CO 0.85 -0.23 -0.14 -0.13 -1.32 0.00 0.00 176.35 175.38 1o8r s ARG 33 N 0.88 1.67 -0.34 1.98 0.52 -1.26 -5.03 118.95 117.37 1o8r s ARG 33 Ca -0.04 -0.51 0.15 0.00 -0.52 0.00 0.00 55.73 54.81 1o8r s ARG 33 Cb -0.05 -1.43 0.43 0.00 0.52 0.00 0.00 34.95 34.43 1o8r s ARG 33 CO -0.08 0.15 1.23 0.09 0.02 0.00 0.00 175.30 176.70 1o8r n ASN 34 N 3.40 -0.22 -0.75 0.23 5.03 -1.26 -4.84 115.26 116.85 1o8r n ASN 34 Ca -0.20 -2.43 0.07 0.00 0.87 0.00 0.00 54.58 52.90 1o8r n ASN 34 Cb 0.53 0.24 0.17 0.00 -1.02 0.00 0.00 39.78 39.69 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1o8r n PHE 35 N -0.60 0.48 -1.68 3.10 3.72 -1.24 -4.40 117.46 116.84 1o8r n PHE 35 Ca -0.00 -0.42 -0.46 0.00 -0.05 0.00 0.00 57.45 56.52 1o8r n PHE 35 Cb 0.84 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 39.32 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o8r n ALA 36 N 0.76 1.43 -1.00 4.37 0.00 -1.26 -4.93 120.51 119.89 1o8r n ALA 36 Ca 0.13 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1o8r n ALA 36 Cb 0.45 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1o8r n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1o8r n PRO 37 N 5.23 0.00 -3.55 0.00 -0.05 -1.26 -4.17 135.00 131.20 1o8r n PRO 37 Ca 0.19 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.51 1o8r n PRO 37 Cb 0.32 -0.95 -0.05 0.00 -0.05 0.00 0.00 33.50 32.77 1o8r n PRO 37 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1o8r s ILE 38 N -0.89 0.00 0.35 0.52 1.09 -1.26 -4.92 121.20 116.09 1o8r s ILE 38 Ca 0.00 0.00 -0.28 0.00 -1.10 0.00 0.00 60.65 59.27 1o8r s ILE 38 Cb 0.00 -1.00 -0.12 0.00 -1.06 0.00 0.00 42.46 40.28 1o8r s ILE 38 CO 0.00 0.00 1.39 -2.65 -0.10 0.00 0.00 174.94 173.58 1o8r n PRO 39 N 0.76 2.39 0.00 2.79 -0.01 -1.26 -4.95 135.00 134.72 1o8r n PRO 39 Ca -0.14 0.84 0.00 0.00 -0.01 0.00 0.00 63.50 64.19 1o8r n PRO 39 Cb 0.58 -2.50 0.00 0.00 -0.01 0.00 0.00 33.50 31.57 1o8r n PRO 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1o8r n GLY 40 N 0.74 -0.04 3.25 -1.23 0.00 -1.26 -5.05 105.19 101.61 1o8r n GLY 40 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.12 0.78 0.36 1.61 2.02 -1.26 -5.07 118.70 117.02 1o8r s GLU 41 Ca 0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 54.97 54.29 1o8r s GLU 41 Cb 0.00 0.34 -0.11 0.00 0.10 0.00 0.00 34.13 34.46 1o8r s GLU 41 CO 0.00 -0.24 1.46 -1.25 0.02 0.00 0.00 175.26 175.25 1o8r s PRO 42 N -2.22 4.16 -0.32 0.39 0.05 -1.26 -4.85 135.00 130.94 1o8r s PRO 42 Ca -0.07 2.51 -0.04 0.00 0.05 0.00 0.00 61.00 63.45 1o8r s PRO 42 Cb -0.02 -2.99 0.27 0.00 0.05 0.00 0.00 34.50 31.80 1o8r s PRO 42 CO -0.01 -0.48 1.23 1.55 0.05 0.00 0.00 177.00 179.34 1o8r n VAL 43 N 0.64 0.00 -3.21 -0.36 3.14 -1.26 -5.07 118.33 112.21 1o8r n VAL 43 Ca 0.01 -0.55 -0.24 0.00 -2.96 0.00 0.00 64.34 60.60 1o8r n VAL 43 Cb 0.40 0.98 -0.06 0.00 -1.06 0.00 0.00 33.84 34.10 1o8r n VAL 43 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1o8r n VAL 44 N 1.68 1.16 -0.66 1.55 3.14 -1.26 -4.24 118.33 119.70 1o8r n VAL 44 Ca 0.03 -4.83 -0.30 0.00 -2.96 0.00 0.00 64.34 56.28 1o8r n VAL 44 Cb 0.70 -1.57 0.21 0.00 -1.06 0.00 0.00 33.84 32.12 1o8r n VAL 44 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1o8r s PRO 45 N -2.30 0.09 0.29 1.45 0.01 -1.26 -4.23 135.00 129.05 1o8r s PRO 45 Ca 0.40 1.16 0.04 0.00 0.01 0.00 0.00 61.00 62.61 1o8r s PRO 45 Cb 0.22 -1.65 0.72 0.00 0.01 0.00 0.00 34.50 33.81 1o8r s PRO 45 CO -0.08 -3.14 1.70 0.82 0.01 0.00 0.00 177.00 176.32 1o8r h ILE 46 N -2.22 0.50 -0.00 2.83 2.04 -1.74 1.27 117.51 120.20 1o8r h ILE 46 Ca -0.52 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1o8r h ILE 46 Cb 1.30 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1o8r h ILE 46 CO 0.47 0.08 -0.05 0.18 0.00 0.00 0.00 178.15 178.83 1o8r n LEU 47 N -5.02 0.33 -1.97 1.44 4.77 -1.26 -4.73 117.00 110.56 1o8r n LEU 47 Ca 0.22 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1o8r n LEU 47 Cb 0.64 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1o8r n LEU 47 CO 0.14 0.06 -0.49 0.00 -1.33 0.00 0.00 177.39 175.77 1o8r h SER 49 N 3.36 0.59 -3.59 0.00 0.87 -1.82 -3.39 113.55 109.58 1o8r h SER 49 Ca 0.00 -0.06 -0.57 0.00 -1.23 0.00 0.00 61.79 59.93 1o8r h SER 49 Cb 0.00 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 61.74 1o8r h SER 49 CO 0.00 0.48 0.88 0.20 -0.53 0.00 0.00 176.83 177.86 1o8r s ASN 50 N -5.73 6.72 0.02 6.23 -0.87 -1.26 -4.86 114.94 115.18 1o8r s ASN 50 Ca -0.13 0.63 0.01 0.00 -1.57 0.00 0.00 52.86 51.80 1o8r s ASN 50 Cb 0.12 -2.54 0.06 0.00 -0.02 0.00 0.00 41.25 38.87 1o8r s ASN 50 CO 0.75 -1.12 1.02 -2.65 -2.57 0.00 0.00 177.10 172.53 1o8r n PRO 51 N 7.49 0.01 -2.70 -0.60 -0.01 -1.26 -2.06 135.00 135.87 1o8r n PRO 51 Ca 0.12 0.50 -0.05 0.00 -0.01 0.00 0.00 63.50 64.05 1o8r n PRO 51 Cb 0.48 -1.54 0.04 0.00 -0.01 0.00 0.00 33.50 32.48 1o8r n PRO 51 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 1o8r n ASN 52 N -1.53 2.05 -4.22 2.55 6.94 -1.26 -5.08 115.26 114.71 1o8r n ASN 52 Ca -0.00 -2.39 -0.30 0.00 -0.02 0.00 0.00 54.58 51.88 1o8r n ASN 52 Cb 0.01 -0.47 0.17 0.00 -2.36 0.00 0.00 39.78 37.14 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1o8r s PHE 53 N -3.67 1.74 -0.51 -2.53 -0.71 -0.87 -4.80 117.98 106.62 1o8r s PHE 53 Ca 0.31 0.35 -0.26 0.00 -1.04 0.00 0.00 56.93 56.28 1o8r s PHE 53 Cb 0.35 -4.04 -0.28 0.00 -1.21 0.00 0.00 43.02 37.85 1o8r s PHE 53 CO -0.02 -2.54 1.77 -2.30 -1.34 0.00 0.00 175.22 170.79 1o8r n PRO 54 N -3.70 0.04 -0.59 1.99 -0.01 -1.26 -4.65 135.00 126.82 1o8r n PRO 54 Ca 0.14 -1.25 0.47 0.00 -0.01 0.00 0.00 63.50 62.85 1o8r n PRO 54 Cb 0.60 -3.06 0.72 0.00 -0.01 0.00 0.00 33.50 31.74 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 7.73 0.00 0.30 -0.52 2.13 -1.26 0.25 120.64 129.26 1o8r n GLU 55 Ca 0.40 1.03 0.12 0.00 0.66 0.00 0.00 57.16 59.37 1o8r n GLU 55 Cb 0.44 -2.41 0.66 0.00 0.27 0.00 0.00 31.44 30.40 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 -0.39 5.31 5.08 -1.96 1.92 114.58 124.55 1o8r h GLU 56 Ca 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 1o8r h GLU 56 Cb 3.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.73 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 -2.68 2.14 -0.36 1.33 4.77 0.68 -4.46 117.00 118.42 1o8r n LEU 57 Ca -0.02 -1.06 0.03 0.00 -0.03 0.00 0.00 56.01 54.94 1o8r n LEU 57 Cb 0.41 -0.26 0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1o8r n LEU 57 CO 0.11 0.53 0.62 1.17 -1.33 0.00 0.00 177.39 178.49 1o8r n LYS 58 N 0.67 -0.14 -0.25 3.23 0.00 0.65 0.11 118.16 122.43 1o8r n LYS 58 Ca 0.14 1.53 0.01 0.00 0.00 0.00 0.00 58.31 59.99 1o8r n LYS 58 Cb 0.34 -2.28 0.14 0.00 0.00 0.00 0.00 35.03 33.23 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1o8r h PRO 59 N 0.00 0.65 -0.95 1.64 0.10 -1.82 -0.93 132.00 130.69 1o8r h PRO 59 Ca 0.43 -0.04 0.10 0.00 0.10 0.00 0.00 66.00 66.58 1o8r h PRO 59 Cb 0.67 -0.15 -0.08 0.00 0.10 0.00 0.00 31.00 31.55 1o8r h PRO 59 CO -1.00 0.43 0.59 1.25 0.10 0.00 0.00 178.00 179.37 1o8r h LEU 60 N 0.67 0.89 -2.47 2.35 5.85 0.53 0.16 115.31 123.29 1o8r h LEU 60 Ca 0.35 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.13 1o8r h LEU 60 Cb 0.32 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1o8r h LEU 60 CO -0.24 0.51 0.11 0.00 -0.34 0.00 0.00 178.44 178.48 1o8r n LYS 62 N -3.51 2.87 -4.32 0.00 5.02 0.54 -1.84 118.16 116.92 1o8r n LYS 62 Ca -0.01 -3.68 -0.18 0.00 -2.02 0.00 0.00 58.31 52.41 1o8r n LYS 62 Cb 0.20 -2.14 -0.14 0.00 -0.02 0.00 0.00 35.03 32.93 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 -3.55 0.72 0.53 1.97 8.01 -0.34 -5.01 118.70 121.02 1o8r s GLU 63 Ca 0.52 -0.42 0.25 0.00 0.01 0.00 0.00 54.97 55.33 1o8r s GLU 63 Cb 0.43 -0.68 1.46 0.00 -4.31 0.00 0.00 34.13 31.03 1o8r s GLU 63 CO 0.01 0.18 2.11 -1.00 0.01 0.00 0.00 175.26 176.58 1o8r h PRO 64 N 5.64 0.00 0.00 0.39 0.14 -1.93 -1.38 132.00 134.86 1o8r h PRO 64 Ca -0.32 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.82 1o8r h PRO 64 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1o8r h PRO 64 CO 0.48 0.09 -0.02 -0.91 0.14 0.00 0.00 178.00 177.78 1o8r h ASN 65 N 0.00 0.00 -0.80 1.44 2.35 -1.95 -3.33 115.58 113.29 1o8r h ASN 65 Ca -0.00 -0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.94 1o8r h ASN 65 Cb 0.22 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.45 1o8r h ASN 65 CO 0.01 0.00 0.02 0.00 -1.65 0.00 0.00 177.43 175.81 1o8r h ALA 66 N 2.14 0.87 -0.75 -0.83 0.00 -1.41 0.70 119.26 119.98 1o8r h ALA 66 Ca 0.00 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1o8r h ALA 66 Cb 0.93 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1o8r h ALA 66 CO 0.00 -0.44 0.38 0.37 0.00 0.00 0.00 179.25 179.56 1o8r h GLN 67 N 0.10 0.60 0.08 0.00 4.15 -1.76 -0.37 115.11 117.92 1o8r h GLN 67 Ca 0.45 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.58 1o8r h GLN 67 Cb 0.82 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 1o8r h GLN 67 CO -0.71 0.40 -1.16 0.93 -1.93 0.00 0.00 178.83 176.36 1o8r h GLU 68 N 0.62 0.17 -0.41 1.69 5.08 -0.71 -3.32 114.58 117.70 1o8r h GLU 68 Ca 0.37 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1o8r h GLU 68 Cb 0.42 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1o8r h GLU 68 CO -0.28 1.13 0.15 0.82 -1.00 0.00 0.00 179.01 179.83 1o8r h ILE 69 N 0.05 1.20 -0.20 3.13 2.04 0.95 -3.05 117.51 121.62 1o8r h ILE 69 Ca -0.09 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1o8r h ILE 69 Cb 1.90 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1o8r h ILE 69 CO 0.17 0.23 -0.18 0.25 0.00 0.00 0.00 178.15 178.63 1o8r h LEU 70 N 0.51 -0.61 -0.45 1.44 7.12 -1.19 0.38 115.31 122.51 1o8r h LEU 70 Ca 0.13 0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.31 1o8r h LEU 70 Cb 0.21 0.26 -0.10 0.00 -0.53 0.00 0.00 40.66 40.50 1o8r h LEU 70 CO -0.01 -0.10 -0.35 1.56 -0.13 0.00 0.00 178.44 179.41 1o8r h GLN 71 N -0.07 -0.24 -0.00 1.25 4.20 -1.72 -1.32 115.11 117.21 1o8r h GLN 71 Ca 0.03 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1o8r h GLN 71 Cb 0.16 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1o8r h GLN 71 CO -0.23 -0.16 -0.49 0.00 -0.67 0.00 0.00 178.83 177.29 1o8r h ARG 72 N -0.24 -0.61 -0.70 1.46 3.08 -1.13 -1.64 114.38 114.59 1o8r h ARG 72 Ca 0.18 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.40 1o8r h ARG 72 Cb 0.55 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 30.61 1o8r h ARG 72 CO -0.58 -0.41 -0.25 -0.07 -1.07 0.00 0.00 179.97 177.59 1o8r h LEU 73 N -0.64 -0.89 0.06 3.04 3.38 0.56 -0.60 115.31 120.22 1o8r h LEU 73 Ca 0.03 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1o8r h LEU 73 Cb 0.70 0.52 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1o8r h LEU 73 CO -0.35 -0.27 -0.45 -0.33 0.09 0.00 0.00 178.44 177.14 1o8r h GLU 74 N -0.06 -0.61 0.01 1.13 4.39 -0.39 0.34 114.58 119.39 1o8r h GLU 74 Ca 0.31 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.08 1o8r h GLU 74 Cb 0.55 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 1o8r h GLU 74 CO -0.74 -0.41 -0.38 1.49 -1.16 0.00 0.00 179.01 177.80 1o8r h GLU 75 N -0.64 -0.52 -0.92 2.33 4.81 -0.39 -0.79 114.58 118.46 1o8r h GLU 75 Ca 0.03 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1o8r h GLU 75 Cb 0.69 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.12 1o8r h GLU 75 CO -0.29 -0.35 0.59 0.82 -0.73 0.00 0.00 179.01 179.05 1o8r h ILE 76 N -0.54 0.96 -0.44 2.32 1.08 -0.86 0.12 117.51 120.14 1o8r h ILE 76 Ca 0.05 -0.31 0.07 0.00 -0.39 0.00 0.00 64.86 64.28 1o8r h ILE 76 Cb 0.62 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 1o8r h ILE 76 CO -0.29 0.17 0.30 0.00 -0.69 0.00 0.00 178.15 177.63 1o8r h ALA 77 N 1.55 2.02 -0.69 1.87 0.00 0.11 -1.39 119.26 122.74 1o8r h ALA 77 Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1o8r h ALA 77 Cb 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1o8r h ALA 77 CO -0.19 -0.11 0.45 1.49 0.00 0.00 0.00 179.25 180.88 1o8r h GLU 78 N 0.30 0.89 -3.65 0.00 4.81 0.02 -3.35 114.58 113.59 1o8r h GLU 78 Ca 0.20 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1o8r h GLU 78 Cb 0.40 -0.20 -0.16 0.00 0.63 0.00 0.00 28.75 29.42 1o8r h GLU 78 CO -0.04 0.59 -0.36 -0.51 -0.73 0.00 0.00 179.01 177.95 1o8r s ASP 79 N -5.80 0.06 0.10 1.04 1.11 -0.52 -3.62 116.67 109.04 1o8r s ASP 79 Ca -0.13 -0.48 -0.20 0.00 0.18 0.00 0.00 52.55 51.91 1o8r s ASP 79 Cb 0.14 0.32 -0.09 0.00 1.07 0.00 0.00 42.92 44.37 1o8r s ASP 79 CO 0.77 -0.65 1.70 1.55 1.18 0.00 0.00 175.17 179.72 1o8r h PRO 80 N 3.09 0.24 0.00 8.23 0.14 -1.87 -3.42 132.00 138.41 1o8r h PRO 80 Ca -0.33 -0.03 0.00 0.00 0.14 0.00 0.00 66.00 65.78 1o8r h PRO 80 Cb 1.20 -0.05 0.00 0.00 0.14 0.00 0.00 31.00 32.29 1o8r h PRO 80 CO 0.52 0.24 0.00 0.41 0.14 0.00 0.00 178.00 179.31 1o8r n GLY 81 N -0.93 0.97 0.12 1.56 0.00 -1.26 -3.07 105.19 102.58 1o8r n GLY 81 Ca -0.04 -0.80 0.12 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 0.00 -0.24 2.61 1.35 -1.98 -3.34 112.91 111.32 1o8r h THR 82 Ca 0.00 -0.65 0.03 0.00 -0.55 0.00 0.00 66.41 65.24 1o8r h THR 82 Cb 0.00 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 1o8r h THR 82 CO 0.00 0.00 0.06 0.00 -0.25 0.00 0.00 175.52 175.33 1o8r h GLU 84 N 0.15 0.00 -0.48 0.00 4.81 -1.68 -1.38 114.58 116.00 1o8r h GLU 84 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1o8r h GLU 84 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1o8r h GLU 84 CO -0.14 0.08 0.00 0.44 -0.73 0.00 0.00 179.01 178.66 1o8r n ILE 85 N -4.16 0.64 -1.33 2.32 -5.35 -0.63 -4.91 119.36 105.93 1o8r n ILE 85 Ca -0.03 -0.76 -0.11 0.00 -0.27 0.00 0.00 62.75 61.58 1o8r n ILE 85 Cb 0.16 0.66 -0.05 0.00 -1.74 0.00 0.00 39.64 38.67 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 -2.44 0.00 0.00 -1.47 -3.44 119.26 112.92 1o8r h ALA 87 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 1o8r h ALA 87 Cb 1.14 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 1o8r h ALA 87 CO 0.34 0.00 -0.64 0.71 0.00 0.00 0.00 179.25 179.66 1o8r s TYR 88 N -3.54 1.03 -2.00 0.00 1.51 -1.25 -5.01 117.35 108.10 1o8r s TYR 88 Ca 0.01 -1.23 0.18 0.00 -1.01 0.00 0.00 57.07 55.02 1o8r s TYR 88 Cb 0.09 -0.56 1.08 0.00 -0.11 0.00 0.00 41.96 42.46 1o8r s TYR 88 CO 0.40 -0.49 1.53 0.00 -1.11 0.00 0.00 175.55 175.88 1o8r n ALA 89 N -0.18 2.34 0.08 3.71 0.00 -1.26 -3.46 120.51 121.73 1o8r n ALA 89 Ca -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1o8r n ALA 89 Cb 0.64 -1.29 0.42 0.00 0.00 0.00 0.00 19.45 19.22 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 3.24 1.62 -2.85 0.00 0.00 -1.92 -3.40 119.26 115.95 1o8r h ALA 90 Ca 0.00 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.12 1o8r h ALA 90 Cb 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 17.47 1o8r h ALA 90 CO 0.00 0.29 -0.54 0.00 0.00 0.00 0.00 179.25 179.00 1o8r s THR 92 N 1.66 4.52 0.00 0.00 -4.23 -0.84 -4.46 115.64 112.30 1o8r s THR 92 Ca 0.06 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1o8r s THR 92 Cb -0.17 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1o8r s THR 92 CO 0.08 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1o8r n GLY 93 N -0.83 3.13 0.00 3.99 0.00 -1.26 -3.66 105.19 106.56 1o8r n GLY 93 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32