#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 2.21 -0.29 2.52 2.01 -1.06 -4.84 115.64 116.19 1o8r s THR 2 Ca 0.00 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 60.05 1o8r s THR 2 Cb 0.00 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.57 1o8r s THR 2 CO 0.00 0.12 0.88 -0.69 -0.69 0.00 0.00 174.62 174.24 1o8r s VAL 3 N -1.03 4.72 0.04 3.82 1.01 -0.29 -2.00 120.40 126.67 1o8r s VAL 3 Ca 0.13 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.59 1o8r s VAL 3 Cb -0.10 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1o8r s VAL 3 CO 0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 175.10 174.80 1o8r s GLN 4 N 3.12 2.40 -0.07 2.72 -2.07 -0.85 0.15 119.66 125.07 1o8r s GLN 4 Ca 0.37 -0.83 0.16 0.00 -1.82 0.00 0.00 55.36 53.23 1o8r s GLN 4 Cb -0.14 -2.42 0.53 0.00 -1.09 0.00 0.00 33.01 29.88 1o8r s GLN 4 CO 0.12 0.57 1.44 -0.25 -1.32 0.00 0.00 175.29 175.85 1o8r n ASP 5 N 1.28 3.83 0.00 12.60 8.00 -1.15 -4.90 116.55 136.20 1o8r n ASP 5 Ca -0.15 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.03 1o8r n ASP 5 Cb 0.52 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o8r n GLY 6 N 0.69 -0.47 0.29 0.44 0.00 -1.26 -4.92 105.19 99.96 1o8r n GLY 6 Ca 0.20 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.50 1o8r n GLY 6 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1o8r n ASN 7 N 0.00 0.87 -4.19 1.61 5.15 -1.26 -4.79 115.26 112.65 1o8r n ASN 7 Ca 0.00 -1.69 -0.27 0.00 -0.60 0.00 0.00 54.58 52.03 1o8r n ASN 7 Cb 0.00 -0.07 -0.16 0.00 -0.53 0.00 0.00 39.78 39.02 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1o8r s PHE 8 N -1.86 1.79 -0.09 1.20 0.08 -1.26 -5.13 117.98 112.72 1o8r s PHE 8 Ca 0.25 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.79 1o8r s PHE 8 Cb 0.13 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.36 1o8r s PHE 8 CO 0.19 -0.07 0.27 -1.54 -0.10 0.00 0.00 175.22 173.97 1o8r s SER 9 N -0.32 6.55 -0.03 1.36 1.04 -1.26 -2.95 113.70 118.09 1o8r s SER 9 Ca 0.04 0.65 0.05 0.00 0.48 0.00 0.00 55.95 57.18 1o8r s SER 9 Cb -0.09 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1o8r s SER 9 CO 0.00 0.32 -0.19 -0.36 0.98 0.00 0.00 173.24 173.99 1o8r s PHE 10 N -0.74 1.77 0.91 5.02 0.08 0.41 -4.88 117.98 120.53 1o8r s PHE 10 Ca 0.18 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.71 1o8r s PHE 10 Cb -0.14 -1.16 0.13 0.00 -0.57 0.00 0.00 43.02 41.29 1o8r s PHE 10 CO 0.07 -0.09 1.09 0.45 -0.10 0.00 0.00 175.22 176.65 1o8r s SER 11 N -0.26 3.39 0.01 1.36 0.15 -1.26 -1.14 113.70 115.95 1o8r s SER 11 Ca 0.03 1.44 0.22 0.00 0.70 0.00 0.00 55.95 58.33 1o8r s SER 11 Cb -0.09 -2.12 -0.13 0.00 -1.71 0.00 0.00 66.02 61.98 1o8r s SER 11 CO 0.01 -2.68 0.89 0.18 1.20 0.00 0.00 173.24 172.83 1o8r n LEU 12 N -3.91 0.66 0.00 3.45 4.32 -1.26 -4.31 117.00 115.95 1o8r n LEU 12 Ca 0.07 -0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1o8r n LEU 12 Cb 0.56 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1o8r n LEU 12 CO 0.56 0.13 0.24 -0.62 -1.22 0.00 0.00 177.39 176.48 1o8r n GLU 13 N -1.78 0.00 -0.31 3.23 -0.58 -1.26 -1.40 120.64 118.54 1o8r n GLU 13 Ca 0.02 0.33 0.07 0.00 -0.42 0.00 0.00 57.16 57.16 1o8r n GLU 13 Cb 0.41 -1.12 0.17 0.00 -0.57 0.00 0.00 31.44 30.33 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1o8r h SER 14 N 0.00 -0.65 -0.52 1.62 0.02 -1.95 0.48 113.55 112.55 1o8r h SER 14 Ca 0.00 0.26 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1o8r h SER 14 Cb 0.00 0.50 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1o8r h SER 14 CO 0.00 -0.29 0.30 0.58 -1.14 0.00 0.00 176.83 176.28 1o8r h VAL 15 N 0.02 1.03 0.42 2.27 2.07 -1.75 1.18 116.25 121.49 1o8r h VAL 15 Ca 0.47 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1o8r h VAL 15 Cb 0.81 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1o8r h VAL 15 CO -0.87 0.11 -0.35 0.50 0.02 0.00 0.00 177.57 176.98 1o8r h LYS 16 N 0.60 -0.74 -0.20 1.57 1.63 0.11 -0.31 116.57 119.23 1o8r h LYS 16 Ca 0.22 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1o8r h LYS 16 Cb 0.05 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1o8r h LYS 16 CO -0.11 -0.49 0.00 1.63 -3.45 0.00 0.00 179.45 177.02 1o8r n LYS 17 N -5.47 1.06 -0.26 1.90 5.02 -0.41 -3.93 118.16 116.07 1o8r n LYS 17 Ca -0.11 -0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.04 1o8r n LYS 17 Cb 0.36 -1.11 0.05 0.00 -0.02 0.00 0.00 35.03 34.32 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 0.13 0.93 0.17 -0.35 6.46 0.33 0.93 115.31 123.91 1o8r h LEU 18 Ca 0.00 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1o8r h LEU 18 Cb 0.12 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1o8r h LEU 18 CO 0.00 0.79 -0.08 0.50 -0.62 0.00 0.00 178.44 179.03 1o8r h LYS 19 N 1.01 -0.22 -0.83 1.25 3.64 -1.73 -3.32 116.57 116.37 1o8r h LYS 19 Ca 0.25 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 1o8r h LYS 19 Cb 0.08 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1o8r h LYS 19 CO -0.04 -0.15 0.54 -0.44 -2.27 0.00 0.00 179.45 177.10 1o8r h ASP 20 N -0.61 0.84 -3.60 4.20 3.32 -1.81 -3.45 116.42 115.31 1o8r h ASP 20 Ca -0.02 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.77 1o8r h ASP 20 Cb 0.18 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1o8r h ASP 20 CO 0.04 0.56 -0.32 -0.11 -1.72 0.00 0.00 179.24 177.69 1o8r n LEU 21 N -4.47 -1.17 -4.88 1.55 7.94 0.32 -4.93 117.00 111.36 1o8r n LEU 21 Ca 0.12 0.19 -0.33 0.00 -1.11 0.00 0.00 56.01 54.88 1o8r n LEU 21 Cb 0.17 -2.17 -0.05 0.00 0.53 0.00 0.00 43.42 41.89 1o8r n LEU 21 CO 0.34 -0.17 0.04 -1.10 -1.11 0.00 0.00 177.39 175.38 1o8r s GLN 22 N -4.88 3.66 -0.65 1.96 -1.52 -1.26 -4.56 119.66 112.41 1o8r s GLN 22 Ca 0.00 0.01 -0.12 0.00 -1.95 0.00 0.00 55.36 53.30 1o8r s GLN 22 Cb 0.00 -2.93 0.02 0.00 -0.22 0.00 0.00 33.01 29.88 1o8r s GLN 22 CO 0.00 0.52 0.64 -1.91 -0.25 0.00 0.00 175.29 174.29 1o8r n GLU 23 N 0.50 -1.73 -0.26 2.91 2.13 -1.26 -4.62 120.64 118.31 1o8r n GLU 23 Ca -0.05 1.35 -0.14 0.00 0.66 0.00 0.00 57.16 58.98 1o8r n GLU 23 Cb 0.52 -3.75 -0.03 0.00 0.27 0.00 0.00 31.44 28.46 1o8r n GLU 23 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1o8r n PRO 24 N -1.42 0.39 -4.10 5.31 -0.05 -1.26 -4.74 135.00 129.13 1o8r n PRO 24 Ca -0.10 -0.80 -0.10 0.00 -0.05 0.00 0.00 63.50 62.44 1o8r n PRO 24 Cb 0.60 -2.20 -0.08 0.00 -0.05 0.00 0.00 33.50 31.77 1o8r n PRO 24 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 175.50 174.31 1o8r s GLN 25 N 5.12 1.26 -0.58 0.54 0.74 -1.26 -5.09 119.66 120.37 1o8r s GLN 25 Ca 0.21 -1.42 0.06 0.00 0.05 0.00 0.00 55.36 54.26 1o8r s GLN 25 Cb 0.05 0.34 0.26 0.00 1.10 0.00 0.00 33.01 34.76 1o8r s GLN 25 CO 0.06 -0.45 0.72 0.39 -0.55 0.00 0.00 175.29 175.46 1o8r n GLU 26 N -0.27 2.22 -1.81 1.67 4.71 -1.26 -5.00 120.64 120.89 1o8r n GLU 26 Ca -0.02 -4.39 -0.38 0.00 -0.01 0.00 0.00 57.16 52.36 1o8r n GLU 26 Cb 0.64 -2.05 0.04 0.00 -1.01 0.00 0.00 31.44 29.06 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1o8r s PRO 27 N -2.32 3.24 -0.45 3.49 0.04 -1.26 -4.99 135.00 132.75 1o8r s PRO 27 Ca 0.40 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 1o8r s PRO 27 Cb 0.17 -2.31 0.12 0.00 0.04 0.00 0.00 34.50 32.52 1o8r s PRO 27 CO -0.04 -1.11 0.24 1.03 0.04 0.00 0.00 177.00 177.16 1o8r s ARG 28 N -2.84 2.06 -0.16 4.56 0.52 -1.26 -5.01 118.95 116.82 1o8r s ARG 28 Ca 0.70 -2.03 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1o8r s ARG 28 Cb -0.40 -3.56 0.03 0.00 0.52 0.00 0.00 34.95 31.54 1o8r s ARG 28 CO 0.48 -1.08 -0.12 0.08 0.02 0.00 0.00 175.30 174.68 1o8r s VAL 29 N 0.77 1.51 0.00 3.52 1.01 -1.26 -4.66 120.40 121.29 1o8r s VAL 29 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1o8r s VAL 29 Cb -0.22 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1o8r s VAL 29 CO -0.04 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1o8r n GLY 30 N 4.77 0.25 4.01 4.51 0.00 -1.26 -3.19 105.19 114.28 1o8r n GLY 30 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1o8r n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o8r n LYS 31 N -0.92 -4.30 -4.39 1.61 5.02 -1.26 -4.94 118.16 108.99 1o8r n LYS 31 Ca 0.00 0.49 -0.34 0.00 -2.02 0.00 0.00 58.31 56.45 1o8r n LYS 31 Cb 0.25 -5.17 -0.15 0.00 -0.02 0.00 0.00 35.03 29.95 1o8r n LYS 31 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1o8r s LEU 32 N -7.17 2.59 -0.64 -0.35 2.96 -1.19 -5.02 118.68 109.86 1o8r s LEU 32 Ca 0.52 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1o8r s LEU 32 Cb -0.27 -1.61 0.37 0.00 0.50 0.00 0.00 46.19 45.18 1o8r s LEU 32 CO 0.87 0.07 1.29 0.54 -1.32 0.00 0.00 176.35 177.80 1o8r n ARG 33 N 4.18 3.57 -4.26 1.98 1.74 -1.26 -4.85 116.66 117.77 1o8r n ARG 33 Ca -0.19 -4.52 -0.19 0.00 -0.77 0.00 0.00 57.85 52.18 1o8r n ARG 33 Cb 0.52 -2.28 -0.13 0.00 -1.02 0.00 0.00 32.46 29.55 1o8r n ARG 33 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1o8r s ASN 34 N -2.83 1.72 0.00 0.55 0.01 -1.25 -4.34 114.94 108.80 1o8r s ASN 34 Ca 0.48 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 1o8r s ASN 34 Cb 0.33 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.91 1o8r s ASN 34 CO -0.20 -0.02 0.00 0.33 -1.51 0.00 0.00 177.10 175.70 1o8r n PHE 35 N 1.53 -0.65 -1.59 2.20 7.35 -1.25 -5.04 117.46 120.01 1o8r n PHE 35 Ca -0.20 0.00 -0.46 0.00 -0.76 0.00 0.00 57.45 56.04 1o8r n PHE 35 Cb 0.54 0.13 -0.04 0.00 0.35 0.00 0.00 39.48 40.46 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1o8r n ALA 36 N -1.62 1.42 0.27 3.13 0.00 -1.26 -4.80 120.51 117.65 1o8r n ALA 36 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1o8r n ALA 36 Cb 0.00 -2.72 0.73 0.00 0.00 0.00 0.00 19.45 17.46 1o8r n ALA 36 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1o8r h PRO 37 N 12.71 0.00 -2.56 0.00 0.13 -1.96 -3.39 132.00 136.94 1o8r h PRO 37 Ca -0.41 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.86 1o8r h PRO 37 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1o8r h PRO 37 CO 0.97 0.03 0.41 0.96 -0.23 0.00 0.00 178.00 180.14 1o8r s ILE 38 N -4.79 0.00 0.60 -3.56 -5.25 -1.26 -5.02 121.20 101.91 1o8r s ILE 38 Ca -0.05 -0.77 -0.19 0.00 -0.99 0.00 0.00 60.65 58.65 1o8r s ILE 38 Cb 0.16 -2.11 -0.03 0.00 2.95 0.00 0.00 42.46 43.43 1o8r s ILE 38 CO 0.62 0.00 1.28 -2.84 -1.79 0.00 0.00 174.94 172.21 1o8r s PRO 39 N -3.33 2.88 0.00 0.37 0.02 -1.26 -4.84 135.00 128.83 1o8r s PRO 39 Ca 0.13 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.18 1o8r s PRO 39 Cb -0.03 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1o8r s PRO 39 CO 0.04 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 1o8r n GLY 40 N 0.73 -0.01 3.60 0.52 0.00 -1.26 -5.05 105.19 103.73 1o8r n GLY 40 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.48 0.59 0.33 1.61 2.02 -1.26 -5.12 118.70 116.39 1o8r s GLU 41 Ca 0.00 0.40 -0.29 0.00 0.02 0.00 0.00 54.97 55.10 1o8r s GLU 41 Cb 0.00 0.28 -0.11 0.00 0.10 0.00 0.00 34.13 34.41 1o8r s GLU 41 CO 0.00 -0.13 1.46 -1.25 0.02 0.00 0.00 175.26 175.36 1o8r s PRO 42 N -0.42 4.19 -0.06 0.39 0.05 -1.26 -4.92 135.00 132.96 1o8r s PRO 42 Ca 0.00 2.45 -0.03 0.00 0.05 0.00 0.00 61.00 63.48 1o8r s PRO 42 Cb -0.03 -3.02 0.04 0.00 0.05 0.00 0.00 34.50 31.54 1o8r s PRO 42 CO -0.02 -0.46 0.13 0.14 0.05 0.00 0.00 177.00 176.85 1o8r s VAL 43 N -0.75 -0.10 -0.48 -0.36 -7.23 -1.26 -5.05 120.40 105.17 1o8r s VAL 43 Ca 0.55 0.23 0.06 0.00 -1.81 0.00 0.00 61.98 61.02 1o8r s VAL 43 Cb -0.45 -0.23 0.24 0.00 0.56 0.00 0.00 36.38 36.50 1o8r s VAL 43 CO 0.55 0.10 0.82 0.52 -0.31 0.00 0.00 175.10 176.77 1o8r n VAL 44 N 4.50 -0.11 0.00 1.32 0.31 -1.26 -4.16 118.33 118.92 1o8r n VAL 44 Ca -0.21 -1.83 0.00 0.00 -0.01 0.00 0.00 64.34 62.29 1o8r n VAL 44 Cb 0.51 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.37 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 1.74 2.67 -0.28 5.55 -0.01 -1.26 -4.57 135.00 138.84 1o8r n PRO 45 Ca 0.12 0.00 0.27 0.00 -0.01 0.00 0.00 63.50 63.88 1o8r n PRO 45 Cb 0.61 0.00 0.63 0.00 -0.01 0.00 0.00 33.50 34.72 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 1o8r h ILE 46 N 0.00 0.52 0.00 4.25 1.08 -2.00 -3.40 117.51 117.96 1o8r h ILE 46 Ca 0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1o8r h ILE 46 Cb 0.00 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 1o8r h ILE 46 CO 0.00 0.04 0.00 0.18 -0.69 0.00 0.00 178.15 177.68 1o8r n LEU 47 N -4.40 0.00 -3.86 1.44 4.32 -1.26 -4.98 117.00 108.25 1o8r n LEU 47 Ca 0.23 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 1o8r n LEU 47 Cb 0.97 0.03 -0.15 0.00 -1.62 0.00 0.00 43.42 42.66 1o8r n LEU 47 CO 0.33 -0.25 -0.36 0.00 -1.22 0.00 0.00 177.39 175.89 1o8r h SER 49 N 6.40 0.84 -3.69 0.00 4.64 -1.91 -3.40 113.55 116.42 1o8r h SER 49 Ca -0.29 -0.28 -0.56 0.00 -0.47 0.00 0.00 61.79 60.19 1o8r h SER 49 Cb 1.19 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.98 1o8r h SER 49 CO 0.50 0.90 0.92 0.20 -0.87 0.00 0.00 176.83 178.48 1o8r s ASN 50 N -6.29 6.65 0.52 4.97 -0.87 -1.26 -4.87 114.94 113.79 1o8r s ASN 50 Ca -0.13 0.50 0.35 0.00 -1.57 0.00 0.00 52.86 52.01 1o8r s ASN 50 Cb 0.12 -2.55 1.90 0.00 -0.02 0.00 0.00 41.25 40.70 1o8r s ASN 50 CO 0.81 -1.23 2.08 -0.65 -2.57 0.00 0.00 177.10 175.54 1o8r h PRO 51 N 9.16 0.00 -0.40 -0.60 0.10 -1.95 -2.35 132.00 135.95 1o8r h PRO 51 Ca -0.23 0.00 -0.30 0.00 0.10 0.00 0.00 66.00 65.57 1o8r h PRO 51 Cb 1.06 0.00 -0.31 0.00 0.10 0.00 0.00 31.00 31.85 1o8r h PRO 51 CO 1.12 0.00 -0.83 0.09 0.10 0.00 0.00 178.00 178.48 1o8r n ASN 52 N -2.74 2.94 -4.62 -2.05 5.03 -1.26 -5.04 115.26 107.52 1o8r n ASN 52 Ca -0.02 -3.22 -0.29 0.00 0.87 0.00 0.00 54.58 51.92 1o8r n ASN 52 Cb 0.06 -0.41 0.12 0.00 -1.02 0.00 0.00 39.78 38.53 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1o8r s PHE 53 N -3.11 2.45 -0.55 3.10 -0.71 -0.89 -4.81 117.98 113.47 1o8r s PHE 53 Ca 0.41 0.57 -0.26 0.00 -1.04 0.00 0.00 56.93 56.61 1o8r s PHE 53 Cb 0.38 -3.71 -0.27 0.00 -1.21 0.00 0.00 43.02 38.20 1o8r s PHE 53 CO -0.03 -2.08 1.78 -2.30 -1.34 0.00 0.00 175.22 171.24 1o8r n PRO 54 N -3.47 0.05 -0.54 1.99 -0.01 -1.26 -4.65 135.00 127.11 1o8r n PRO 54 Ca 0.11 -1.26 0.44 0.00 -0.01 0.00 0.00 63.50 62.78 1o8r n PRO 54 Cb 0.60 -3.08 0.68 0.00 -0.01 0.00 0.00 33.50 31.69 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 7.68 0.00 0.24 -0.52 2.13 -1.26 0.23 120.64 129.14 1o8r n GLU 55 Ca 0.39 1.04 0.10 0.00 0.66 0.00 0.00 57.16 59.35 1o8r n GLU 55 Cb 0.44 -2.45 0.54 0.00 0.27 0.00 0.00 31.44 30.24 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 -0.37 5.31 5.08 -1.99 1.81 114.58 124.41 1o8r h GLU 56 Ca 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.14 1o8r h GLU 56 Cb 3.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.68 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 -2.40 2.07 -0.36 1.33 4.77 0.64 -4.44 117.00 118.60 1o8r n LEU 57 Ca -0.01 -1.02 0.04 0.00 -0.03 0.00 0.00 56.01 54.99 1o8r n LEU 57 Cb 0.35 -0.25 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1o8r n LEU 57 CO 0.09 0.51 0.64 0.29 -1.33 0.00 0.00 177.39 177.59 1o8r n LYS 58 N 0.63 -0.12 -0.29 3.23 5.02 0.61 0.14 118.16 127.38 1o8r n LYS 58 Ca 0.13 1.55 0.04 0.00 -2.02 0.00 0.00 58.31 58.00 1o8r n LYS 58 Cb 0.33 -2.30 0.18 0.00 -0.02 0.00 0.00 35.03 33.21 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1o8r h PRO 59 N 0.00 0.71 -0.97 1.97 0.10 -1.82 -0.31 132.00 131.69 1o8r h PRO 59 Ca 0.45 -0.04 0.05 0.00 0.10 0.00 0.00 66.00 66.56 1o8r h PRO 59 Cb 0.69 -0.16 -0.06 0.00 0.10 0.00 0.00 31.00 31.57 1o8r h PRO 59 CO -1.01 0.47 0.63 -0.07 0.10 0.00 0.00 178.00 178.12 1o8r h LEU 60 N 0.73 1.02 -1.46 2.35 4.07 0.83 -0.52 115.31 122.32 1o8r h LEU 60 Ca 0.41 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.31 1o8r h LEU 60 Cb 0.42 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1o8r h LEU 60 CO -0.27 0.67 -0.27 0.00 -1.08 0.00 0.00 178.44 177.48 1o8r n LYS 62 N -4.05 1.75 -4.45 0.00 5.02 -0.25 -4.86 118.16 111.32 1o8r n LYS 62 Ca -0.02 -1.14 -0.27 0.00 -2.02 0.00 0.00 58.31 54.85 1o8r n LYS 62 Cb 0.34 -1.36 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.71 1.37 0.62 1.97 -1.05 -0.83 -5.01 118.70 114.06 1o8r s GLU 63 Ca 0.30 -1.22 0.40 0.00 -0.15 0.00 0.00 54.97 54.30 1o8r s GLU 63 Cb 0.16 -1.72 2.03 0.00 -0.44 0.00 0.00 34.13 34.16 1o8r s GLU 63 CO 0.23 0.41 2.23 -1.00 0.95 0.00 0.00 175.26 178.09 1o8r h PRO 64 N 4.16 0.00 0.00 -4.83 0.14 -1.89 -1.86 132.00 127.71 1o8r h PRO 64 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 1o8r h PRO 64 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1o8r h PRO 64 CO 0.40 0.01 -0.00 0.09 0.14 0.00 0.00 178.00 178.64 1o8r n ASN 65 N -3.13 0.06 -0.27 1.44 3.02 -1.26 -3.88 115.26 111.24 1o8r n ASN 65 Ca -0.02 0.50 0.08 0.00 -0.03 0.00 0.00 54.58 55.12 1o8r n ASN 65 Cb 0.16 -0.52 0.22 0.00 -0.61 0.00 0.00 39.78 39.03 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 2.97 1.07 -0.76 5.41 0.00 -1.39 0.44 119.26 126.98 1o8r h ALA 66 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1o8r h ALA 66 Cb 0.52 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1o8r h ALA 66 CO 0.00 -0.39 0.49 1.96 0.00 0.00 0.00 179.25 181.31 1o8r h GLN 67 N 0.23 0.94 0.01 0.00 4.20 -1.81 0.46 115.11 119.14 1o8r h GLN 67 Ca 0.47 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.93 1o8r h GLN 67 Cb 0.87 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1o8r h GLN 67 CO -0.59 0.62 -0.90 0.93 -0.67 0.00 0.00 178.83 178.22 1o8r h GLU 68 N 0.97 0.13 -0.04 1.46 4.39 -1.09 -3.25 114.58 117.15 1o8r h GLU 68 Ca 0.30 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 1o8r h GLU 68 Cb -0.02 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1o8r h GLU 68 CO -0.10 0.94 -0.35 0.82 -1.16 0.00 0.00 179.01 179.16 1o8r h ILE 69 N 0.07 1.46 -0.13 3.13 2.04 0.28 -3.15 117.51 121.20 1o8r h ILE 69 Ca -0.04 -1.85 0.03 0.00 1.00 0.00 0.00 64.86 64.01 1o8r h ILE 69 Cb 1.55 2.50 -0.07 0.00 -0.74 0.00 0.00 36.82 40.06 1o8r h ILE 69 CO 0.13 0.53 -0.52 0.25 0.00 0.00 0.00 178.15 178.54 1o8r h LEU 70 N -0.24 -1.64 -0.38 1.44 7.12 -0.18 0.27 115.31 121.71 1o8r h LEU 70 Ca -0.03 0.20 0.08 0.00 0.13 0.00 0.00 57.88 58.26 1o8r h LEU 70 Cb 1.04 0.64 -0.09 0.00 -0.53 0.00 0.00 40.66 41.73 1o8r h LEU 70 CO 0.07 -0.47 -0.25 1.56 -0.13 0.00 0.00 178.44 179.22 1o8r h GLN 71 N -0.57 -0.19 -0.17 1.25 4.20 -1.67 -0.78 115.11 117.18 1o8r h GLN 71 Ca 0.04 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1o8r h GLN 71 Cb 0.67 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.43 1o8r h GLN 71 CO -0.43 -0.12 -0.30 -0.09 -0.67 0.00 0.00 178.83 177.22 1o8r h ARG 72 N -0.19 -0.33 -0.50 1.46 2.43 -1.30 -1.37 114.38 114.57 1o8r h ARG 72 Ca 0.18 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1o8r h ARG 72 Cb 0.48 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.02 1o8r h ARG 72 CO -0.49 -0.22 -0.02 -0.07 -1.51 0.00 0.00 179.97 177.66 1o8r h LEU 73 N -0.35 -0.26 -0.46 3.80 3.38 0.01 -0.94 115.31 120.49 1o8r h LEU 73 Ca 0.11 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1o8r h LEU 73 Cb 0.52 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1o8r h LEU 73 CO -0.37 -0.09 0.03 -0.33 0.09 0.00 0.00 178.44 177.76 1o8r h GLU 74 N 0.09 0.14 -0.12 1.13 5.08 -0.14 0.42 114.58 121.18 1o8r h GLU 74 Ca 0.25 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1o8r h GLU 74 Cb 0.39 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1o8r h GLU 74 CO -0.44 0.09 -0.04 1.49 -1.00 0.00 0.00 179.01 179.10 1o8r h GLU 75 N 0.14 -0.03 -0.61 2.33 4.81 -0.33 -1.85 114.58 119.05 1o8r h GLU 75 Ca 0.23 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1o8r h GLU 75 Cb 0.33 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1o8r h GLU 75 CO -0.36 -0.02 0.22 0.82 -0.73 0.00 0.00 179.01 178.94 1o8r h ILE 76 N -0.03 1.22 -0.61 2.32 1.08 -0.50 -1.72 117.51 119.27 1o8r h ILE 76 Ca 0.06 -0.73 0.10 0.00 -0.39 0.00 0.00 64.86 63.90 1o8r h ILE 76 Cb 0.12 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 1o8r h ILE 76 CO -0.13 0.28 0.41 0.00 -0.69 0.00 0.00 178.15 178.02 1o8r h ALA 77 N 1.36 2.00 -0.73 1.87 0.00 0.59 -1.12 119.26 123.23 1o8r h ALA 77 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1o8r h ALA 77 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1o8r h ALA 77 CO -0.01 -0.13 0.34 1.49 0.00 0.00 0.00 179.25 180.93 1o8r h GLU 78 N 0.43 1.06 -3.91 0.00 4.81 -0.67 -3.40 114.58 112.92 1o8r h GLU 78 Ca 0.28 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 1o8r h GLU 78 Cb 0.53 -0.19 -0.11 0.00 0.63 0.00 0.00 28.75 29.61 1o8r h GLU 78 CO -0.08 0.84 -0.28 -0.51 -0.73 0.00 0.00 179.01 178.26 1o8r s ASP 79 N -6.18 -0.01 0.08 1.04 1.01 -0.42 -3.79 116.67 108.40 1o8r s ASP 79 Ca -0.13 -1.00 -0.31 0.00 0.71 0.00 0.00 52.55 51.82 1o8r s ASP 79 Cb 0.15 0.50 -0.16 0.00 1.01 0.00 0.00 42.92 44.42 1o8r s ASP 79 CO 0.81 -1.01 1.63 -0.65 0.21 0.00 0.00 175.17 176.17 1o8r h PRO 80 N 2.41 -0.71 -3.33 8.23 0.10 -1.88 -3.42 132.00 133.40 1o8r h PRO 80 Ca -0.30 0.05 -0.14 0.00 0.10 0.00 0.00 66.00 65.71 1o8r h PRO 80 Cb 1.24 0.16 0.06 0.00 0.10 0.00 0.00 31.00 32.57 1o8r h PRO 80 CO 0.43 -0.47 -0.30 0.41 0.10 0.00 0.00 178.00 178.16 1o8r n GLY 81 N -1.43 0.18 4.44 -0.55 0.00 -1.26 -3.34 105.19 103.22 1o8r n GLY 81 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1o8r n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1o8r n THR 82 N -2.54 0.00 -0.34 2.61 -2.24 -1.26 -4.69 114.28 105.82 1o8r n THR 82 Ca -0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1o8r n THR 82 Cb 0.56 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.03 1o8r n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o8r h GLU 84 N 0.01 0.87 -0.81 0.00 4.81 -1.84 -2.13 114.58 115.51 1o8r h GLU 84 Ca 0.56 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1o8r h GLU 84 Cb 1.07 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1o8r h GLU 84 CO -0.93 0.75 0.00 0.44 -0.73 0.00 0.00 179.01 178.54 1o8r n ILE 85 N -4.48 0.61 -1.16 2.32 -5.35 0.19 -4.83 119.36 106.66 1o8r n ILE 85 Ca 0.03 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.10 1o8r n ILE 85 Cb 0.16 -0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 37.65 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 0.50 1.09 -2.20 0.00 0.00 -1.67 -3.44 119.26 113.53 1o8r h ALA 87 Ca -0.19 -0.09 -0.40 0.00 0.00 0.00 0.00 54.91 54.23 1o8r h ALA 87 Cb 0.80 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.44 1o8r h ALA 87 CO 0.28 0.12 -0.61 0.71 0.00 0.00 0.00 179.25 179.75 1o8r s TYR 88 N -3.87 1.71 -2.02 0.00 1.51 -1.26 -4.99 117.35 108.43 1o8r s TYR 88 Ca -0.01 -1.10 0.32 0.00 -1.01 0.00 0.00 57.07 55.27 1o8r s TYR 88 Cb 0.11 -1.05 1.86 0.00 -0.11 0.00 0.00 41.96 42.76 1o8r s TYR 88 CO 0.56 -0.21 2.20 0.00 -1.11 0.00 0.00 175.55 177.00 1o8r n ALA 89 N -0.56 2.68 0.27 3.71 0.00 -1.26 -3.67 120.51 121.67 1o8r n ALA 89 Ca -0.01 -0.21 0.15 0.00 0.00 0.00 0.00 53.44 53.37 1o8r n ALA 89 Cb 0.66 -1.50 0.86 0.00 0.00 0.00 0.00 19.45 19.48 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 4.00 1.66 -3.25 0.00 0.00 -1.92 -3.40 119.26 116.36 1o8r h ALA 90 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1o8r h ALA 90 Cb 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.57 1o8r h ALA 90 CO 0.00 -0.08 -0.71 0.00 0.00 0.00 0.00 179.25 178.46 1o8r s THR 92 N 0.56 2.88 0.00 0.00 -4.23 -0.85 -4.60 115.64 109.40 1o8r s THR 92 Ca -0.05 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1o8r s THR 92 Cb -0.15 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1o8r s THR 92 CO 0.03 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1o8r n GLY 93 N -0.99 3.01 1.62 3.99 0.00 -1.26 0.31 105.19 111.88 1o8r n GLY 93 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32