#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 1.58 -0.19 2.52 -1.32 -1.16 -4.91 115.64 112.16 1o8r s THR 2 Ca 0.00 -2.14 -0.27 0.00 -1.21 0.00 0.00 61.69 58.08 1o8r s THR 2 Cb 0.00 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.69 1o8r s THR 2 CO 0.00 -0.40 0.91 -0.69 -2.21 0.00 0.00 174.62 172.22 1o8r s VAL 3 N -3.06 4.81 -0.21 5.08 1.01 -0.14 -1.97 120.40 125.92 1o8r s VAL 3 Ca 0.27 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.99 1o8r s VAL 3 Cb 0.03 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1o8r s VAL 3 CO 0.10 -0.04 -0.06 -1.58 0.00 0.00 0.00 175.10 173.52 1o8r s GLN 4 N 2.49 3.38 -0.03 2.72 0.74 0.12 -1.20 119.66 127.87 1o8r s GLN 4 Ca 0.41 -0.63 0.20 0.00 0.05 0.00 0.00 55.36 55.39 1o8r s GLN 4 Cb -0.16 -2.95 0.64 0.00 1.10 0.00 0.00 33.01 31.64 1o8r s GLN 4 CO 0.11 -0.14 1.54 -0.25 -0.55 0.00 0.00 175.29 176.00 1o8r n ASP 5 N 4.62 4.02 0.00 6.67 8.00 -1.26 -4.71 116.55 133.89 1o8r n ASP 5 Ca -0.18 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.18 1o8r n ASP 5 Cb 0.51 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.46 -1.00 0.83 0.44 0.00 -1.26 -4.96 105.19 100.71 1o8r n GLY 6 Ca 0.24 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.43 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 2.35 -4.14 1.61 3.02 -1.26 -4.81 115.26 112.03 1o8r n ASN 7 Ca 0.00 -2.18 -0.29 0.00 -0.03 0.00 0.00 54.58 52.08 1o8r n ASN 7 Cb 0.00 -0.38 -0.17 0.00 -0.61 0.00 0.00 39.78 38.62 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 -1.66 2.06 -0.16 3.10 0.08 -1.26 -5.10 117.98 115.04 1o8r s PHE 8 Ca 0.23 -0.78 -0.28 0.00 0.12 0.00 0.00 56.93 56.22 1o8r s PHE 8 Cb 0.15 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 1o8r s PHE 8 CO 0.12 -0.32 0.95 -1.12 -0.10 0.00 0.00 175.22 174.74 1o8r s SER 9 N 0.38 7.10 -0.11 1.36 0.01 -1.26 -4.03 113.70 117.14 1o8r s SER 9 Ca -0.15 1.36 0.03 0.00 1.31 0.00 0.00 55.95 58.50 1o8r s SER 9 Cb -0.16 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1o8r s SER 9 CO 0.06 -0.49 -0.22 -0.36 0.41 0.00 0.00 173.24 172.64 1o8r s PHE 10 N 2.39 2.61 0.96 2.43 0.08 -0.34 -4.96 117.98 121.15 1o8r s PHE 10 Ca 0.43 -1.08 -0.14 0.00 0.12 0.00 0.00 56.93 56.26 1o8r s PHE 10 Cb -0.17 -1.75 0.17 0.00 -0.57 0.00 0.00 43.02 40.70 1o8r s PHE 10 CO 0.13 -0.45 1.17 -1.12 -0.10 0.00 0.00 175.22 174.85 1o8r s SER 11 N 0.47 3.12 0.00 1.36 0.01 -1.26 -0.96 113.70 116.43 1o8r s SER 11 Ca -0.15 0.77 0.16 0.00 1.31 0.00 0.00 55.95 58.03 1o8r s SER 11 Cb -0.17 -1.18 0.04 0.00 0.21 0.00 0.00 66.02 64.91 1o8r s SER 11 CO 0.06 -2.78 0.88 0.18 0.41 0.00 0.00 173.24 172.00 1o8r n LEU 12 N -3.88 1.82 0.00 2.44 4.77 -1.26 -4.49 117.00 116.39 1o8r n LEU 12 Ca 0.09 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 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 0.53 0.34 0.26 -0.62 -1.33 0.00 0.00 177.39 176.57 1o8r n GLU 13 N 0.20 0.00 -0.29 3.23 1.02 -1.26 -0.79 120.64 122.75 1o8r n GLU 13 Ca 0.07 0.30 0.11 0.00 -0.02 0.00 0.00 57.16 57.63 1o8r n GLU 13 Cb 0.35 -1.13 0.27 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 0.19 0.03 1.62 0.02 -1.92 0.10 113.55 113.59 1o8r h SER 14 Ca 0.00 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1o8r h SER 14 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1o8r h SER 14 CO 0.00 -0.04 -0.02 0.58 -1.14 0.00 0.00 176.83 176.22 1o8r h VAL 15 N 0.33 1.01 0.07 2.27 2.07 -1.79 1.07 116.25 121.29 1o8r h VAL 15 Ca 0.52 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.92 1o8r h VAL 15 Cb 0.98 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1o8r h VAL 15 CO -0.55 0.04 -0.24 0.50 0.02 0.00 0.00 177.57 177.34 1o8r h LYS 16 N -0.11 -0.40 -0.01 1.57 3.64 0.84 0.12 116.57 122.23 1o8r h LYS 16 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1o8r h LYS 16 Cb 0.09 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1o8r h LYS 16 CO 0.01 -0.27 0.00 1.63 -2.27 0.00 0.00 179.45 178.55 1o8r n LYS 17 N -5.36 1.02 -0.16 1.90 5.02 -0.19 -3.94 118.16 116.45 1o8r n LYS 17 Ca -0.06 -0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.13 1o8r n LYS 17 Cb 0.27 -1.06 0.01 0.00 -0.02 0.00 0.00 35.03 34.23 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 0.04 0.58 -1.02 -0.35 5.85 0.40 -1.83 115.31 118.98 1o8r h LEU 18 Ca 0.00 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1o8r h LEU 18 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1o8r h LEU 18 CO 0.00 0.46 -0.23 0.11 -0.34 0.00 0.00 178.44 178.44 1o8r h LYS 19 N 0.64 0.43 -2.76 1.25 1.57 -1.71 -3.35 116.57 112.63 1o8r h LYS 19 Ca 0.17 -0.15 -0.61 0.00 -1.87 0.00 0.00 60.65 58.20 1o8r h LYS 19 Cb -0.00 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 31.87 1o8r h LYS 19 CO -0.03 0.64 -0.75 -3.47 -0.57 0.00 0.00 179.45 175.26 1o8r n ASP 20 N -4.14 1.46 -4.33 0.86 2.03 -0.96 -5.08 116.55 106.38 1o8r n ASP 20 Ca -0.00 -2.84 -0.34 0.00 0.52 0.00 0.00 54.79 52.13 1o8r n ASP 20 Cb 0.38 -0.67 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 1o8r n ASP 20 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1o8r s LEU 21 N -0.79 2.75 -0.38 -2.67 0.20 -0.73 -4.81 118.68 112.26 1o8r s LEU 21 Ca 0.29 -0.37 0.12 0.00 0.69 0.00 0.00 54.13 54.86 1o8r s LEU 21 Cb -0.00 -1.65 0.39 0.00 -0.43 0.00 0.00 46.19 44.49 1o8r s LEU 21 CO -0.18 0.09 1.02 0.00 -0.29 0.00 0.00 176.35 176.98 1o8r n GLN 22 N 4.07 1.09 -3.60 1.98 6.02 -1.26 -5.05 117.38 120.62 1o8r n GLN 22 Ca -0.18 -2.72 -0.03 0.00 -0.01 0.00 0.00 57.00 54.06 1o8r n GLN 22 Cb 0.52 -1.05 -0.01 0.00 1.02 0.00 0.00 30.24 30.72 1o8r n GLN 22 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1o8r s GLU 23 N -1.56 0.41 1.08 -1.09 -1.05 -1.26 -5.16 118.70 110.06 1o8r s GLU 23 Ca 0.28 -0.18 -0.12 0.00 -0.15 0.00 0.00 54.97 54.80 1o8r s GLU 23 Cb 0.39 0.17 0.23 0.00 -0.44 0.00 0.00 34.13 34.48 1o8r s GLU 23 CO -0.04 -0.18 1.07 -2.14 0.95 0.00 0.00 175.26 174.92 1o8r s PRO 24 N -2.50 -0.23 0.19 -4.83 0.02 -1.26 -4.85 135.00 121.53 1o8r s PRO 24 Ca 0.11 1.05 -0.31 0.00 0.02 0.00 0.00 61.00 61.87 1o8r s PRO 24 Cb 0.01 -1.62 -0.16 0.00 0.02 0.00 0.00 34.50 32.75 1o8r s PRO 24 CO -0.04 -3.33 0.91 1.04 -0.33 0.00 0.00 177.00 175.25 1o8r n GLN 25 N -4.66 0.68 -4.07 5.54 6.02 -1.26 -4.94 117.38 114.68 1o8r n GLN 25 Ca 0.06 0.24 -0.33 0.00 -0.01 0.00 0.00 57.00 56.96 1o8r n GLN 25 Cb 0.54 -1.55 -0.15 0.00 1.02 0.00 0.00 30.24 30.10 1o8r n GLN 25 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1o8r s GLU 26 N -0.80 2.74 0.00 -1.09 1.03 -1.26 -5.11 118.70 114.21 1o8r s GLU 26 Ca 0.69 -1.01 0.00 0.00 0.03 0.00 0.00 54.97 54.68 1o8r s GLU 26 Cb -0.90 -2.75 0.00 0.00 -0.80 0.00 0.00 34.13 29.69 1o8r s GLU 26 CO 0.56 -0.35 0.00 -0.35 -1.33 0.00 0.00 175.26 173.79 1o8r n PRO 27 N 4.57 1.11 -1.69 -4.83 -0.04 -1.26 -4.85 135.00 128.01 1o8r n PRO 27 Ca -0.18 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.87 1o8r n PRO 27 Cb 0.47 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.94 1o8r n PRO 27 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1o8r n ARG 28 N 0.00 1.90 -5.15 0.54 1.74 -1.26 -4.99 116.66 109.44 1o8r n ARG 28 Ca 0.00 0.68 -0.32 0.00 -0.77 0.00 0.00 57.85 57.44 1o8r n ARG 28 Cb 0.00 -2.34 -0.15 0.00 -1.02 0.00 0.00 32.46 28.95 1o8r n ARG 28 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1o8r s VAL 29 N -1.19 2.37 0.57 1.55 1.01 -1.26 -4.99 120.40 118.46 1o8r s VAL 29 Ca 0.60 -0.97 0.27 0.00 0.00 0.00 0.00 61.98 61.89 1o8r s VAL 29 Cb -0.52 -1.88 0.38 0.00 0.00 0.00 0.00 36.38 34.35 1o8r s VAL 29 CO 0.59 0.57 2.02 1.23 0.00 0.00 0.00 175.10 179.51 1o8r h GLY 30 N 5.78 0.00 -1.59 4.51 0.00 -2.04 -3.41 103.07 106.32 1o8r h GLY 30 Ca -0.38 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.45 1o8r h GLY 30 CO 0.48 0.00 0.37 0.54 0.00 0.00 0.00 176.54 177.93 1o8r s LYS 31 N -4.79 3.00 -0.02 4.80 1.02 -1.26 -5.01 119.74 117.47 1o8r s LYS 31 Ca -0.05 1.19 -0.19 0.00 0.02 0.00 0.00 55.97 56.94 1o8r s LYS 31 Cb 0.17 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1o8r s LYS 31 CO 0.62 -1.07 0.53 -1.17 -0.92 0.00 0.00 175.35 173.34 1o8r s LEU 32 N -4.97 4.40 -0.82 3.17 2.96 -1.26 -4.95 118.68 117.21 1o8r s LEU 32 Ca 0.63 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 55.49 1o8r s LEU 32 Cb -0.17 -2.80 -0.08 0.00 0.50 0.00 0.00 46.19 43.64 1o8r s LEU 32 CO 0.44 0.14 2.00 -2.11 -1.32 0.00 0.00 176.35 175.49 1o8r n ARG 33 N 2.69 1.80 -0.04 1.98 1.85 -1.26 -3.88 116.66 119.80 1o8r n ARG 33 Ca -0.09 -1.51 0.00 0.00 -1.00 0.00 0.00 57.85 55.26 1o8r n ARG 33 Cb 0.51 -2.55 0.01 0.00 -1.05 0.00 0.00 32.46 29.38 1o8r n ARG 33 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1o8r n ASN 34 N 5.15 0.68 -1.21 2.89 6.94 -1.26 -3.88 115.26 124.57 1o8r n ASN 34 Ca 0.43 -1.45 0.11 0.00 -0.02 0.00 0.00 54.58 53.66 1o8r n ASN 34 Cb 0.20 -0.03 0.27 0.00 -2.36 0.00 0.00 39.78 37.85 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1o8r n PHE 35 N -0.20 0.75 -1.80 -2.53 3.72 -1.25 -4.83 117.46 111.32 1o8r n PHE 35 Ca 0.01 -0.40 -0.38 0.00 -0.05 0.00 0.00 57.45 56.62 1o8r n PHE 35 Cb 0.45 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.02 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o8r s ALA 36 N -1.17 2.84 1.00 4.37 0.00 -1.26 -5.00 121.76 122.54 1o8r s ALA 36 Ca 0.43 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1o8r s ALA 36 Cb 0.23 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1o8r s ALA 36 CO 0.31 -1.34 0.00 -0.35 0.00 0.00 0.00 175.76 174.38 1o8r n PRO 37 N -0.97 2.11 -4.42 0.00 -0.05 -1.26 -4.83 135.00 125.58 1o8r n PRO 37 Ca 0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 63.50 63.21 1o8r n PRO 37 Cb 0.45 0.00 -0.11 0.00 -0.05 0.00 0.00 33.50 33.79 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 0.00 4.09 0.53 0.52 1.09 -1.26 -4.91 121.20 121.25 1o8r s ILE 38 Ca 0.00 -0.32 -0.22 0.00 -1.10 0.00 0.00 60.65 59.01 1o8r s ILE 38 Cb 0.00 -2.74 -0.05 0.00 -1.06 0.00 0.00 42.46 38.61 1o8r s ILE 38 CO 0.00 0.56 1.36 -2.84 -0.10 0.00 0.00 174.94 173.92 1o8r s PRO 39 N -0.44 3.26 0.00 2.79 0.01 -1.26 -4.76 135.00 134.59 1o8r s PRO 39 Ca 0.07 2.24 0.00 0.00 0.01 0.00 0.00 61.00 63.33 1o8r s PRO 39 Cb -0.12 -2.33 0.00 0.00 0.01 0.00 0.00 34.50 32.06 1o8r s PRO 39 CO 0.02 -1.10 0.00 0.41 0.01 0.00 0.00 177.00 176.34 1o8r n GLY 40 N 0.69 0.00 2.22 0.52 0.00 -1.26 -5.05 105.19 102.31 1o8r n GLY 40 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1o8r n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o8r n GLU 41 N 0.00 0.98 -1.65 1.61 2.13 -1.26 -5.07 120.64 117.39 1o8r n GLU 41 Ca 0.00 -3.40 -0.38 0.00 0.66 0.00 0.00 57.16 54.04 1o8r n GLU 41 Cb 0.00 -1.54 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 1o8r n GLU 41 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1o8r s PRO 42 N -1.95 2.40 -0.05 5.31 0.05 -1.26 -4.92 135.00 134.58 1o8r s PRO 42 Ca 0.38 1.42 0.01 0.00 0.05 0.00 0.00 61.00 62.86 1o8r s PRO 42 Cb 0.27 -4.51 0.02 0.00 0.05 0.00 0.00 34.50 30.33 1o8r s PRO 42 CO -0.09 -2.94 -0.04 0.54 0.05 0.00 0.00 177.00 174.52 1o8r s VAL 43 N 10.90 0.51 -0.44 -0.36 0.11 -1.26 -5.03 120.40 124.83 1o8r s VAL 43 Ca 0.93 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.96 1o8r s VAL 43 Cb -0.20 -0.56 0.18 0.00 -1.53 0.00 0.00 36.38 34.27 1o8r s VAL 43 CO 0.27 0.23 0.58 -0.69 -3.33 0.00 0.00 175.10 172.16 1o8r s VAL 44 N 1.10 -0.69 0.00 2.04 1.01 -1.26 -4.27 120.40 118.32 1o8r s VAL 44 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1o8r s VAL 44 Cb -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1o8r s VAL 44 CO -0.01 -0.28 0.00 -0.81 0.00 0.00 0.00 175.10 174.00 1o8r n PRO 45 N 3.64 2.18 -0.04 2.72 -0.05 -1.26 -4.79 135.00 137.41 1o8r n PRO 45 Ca 0.16 0.00 -0.08 0.00 -0.05 0.00 0.00 63.50 63.53 1o8r n PRO 45 Cb 0.53 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.96 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 1o8r h ILE 46 N 0.00 0.52 0.00 0.52 2.04 -2.01 -3.40 117.51 115.18 1o8r h ILE 46 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1o8r h ILE 46 Cb 0.00 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1o8r h ILE 46 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.33 1o8r n LEU 47 N -5.33 0.00 -3.80 1.44 4.77 -1.26 -4.87 117.00 107.95 1o8r n LEU 47 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 1o8r n LEU 47 Cb 0.24 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1o8r n LEU 47 CO 0.18 -0.27 -0.05 0.00 -1.33 0.00 0.00 177.39 175.92 1o8r h SER 49 N 4.23 -0.10 -3.20 0.00 0.87 -1.92 -3.40 113.55 110.03 1o8r h SER 49 Ca -0.30 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.69 1o8r h SER 49 Cb 1.18 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1o8r h SER 49 CO 0.39 -0.07 0.83 0.20 -0.53 0.00 0.00 176.83 177.66 1o8r s ASN 50 N -5.10 6.99 0.06 6.23 -0.87 -1.26 -4.87 114.94 116.12 1o8r s ASN 50 Ca -0.14 1.21 0.04 0.00 -1.57 0.00 0.00 52.86 52.40 1o8r s ASN 50 Cb 0.06 -2.54 0.23 0.00 -0.02 0.00 0.00 41.25 38.98 1o8r s ASN 50 CO 0.66 -0.80 1.13 -2.65 -2.57 0.00 0.00 177.10 172.87 1o8r n PRO 51 N 6.66 0.03 -2.74 -0.60 -0.01 -1.26 -1.96 135.00 135.11 1o8r n PRO 51 Ca 0.12 0.52 -0.04 0.00 -0.01 0.00 0.00 63.50 64.10 1o8r n PRO 51 Cb 0.47 -1.59 0.04 0.00 -0.01 0.00 0.00 33.50 32.41 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1o8r n ASN 52 N -1.65 1.82 -3.41 2.55 3.02 -1.26 -5.08 115.26 111.26 1o8r n ASN 52 Ca -0.00 -2.31 -0.22 0.00 -0.03 0.00 0.00 54.58 52.02 1o8r n ASN 52 Cb 0.01 -0.48 0.15 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.49 -3.99 -0.80 3.10 -1.74 -0.83 -4.79 117.46 107.91 1o8r n PHE 53 Ca 0.10 -0.87 -0.33 0.00 -0.56 0.00 0.00 57.45 55.79 1o8r n PHE 53 Cb 0.81 -0.76 -0.11 0.00 1.52 0.00 0.00 39.48 40.95 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 -3.08 0.02 -0.44 3.97 -0.01 -1.26 -4.66 135.00 129.53 1o8r n PRO 54 Ca 0.12 -1.07 0.39 0.00 -0.01 0.00 0.00 63.50 62.93 1o8r n PRO 54 Cb 0.43 -2.70 0.66 0.00 -0.01 0.00 0.00 33.50 31.88 1o8r n PRO 54 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 1o8r h GLU 55 N 10.16 0.00 0.00 -0.52 4.11 -1.96 2.62 114.58 128.99 1o8r h GLU 55 Ca 0.17 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1o8r h GLU 55 Cb 0.76 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1o8r h GLU 55 CO 1.66 0.00 0.26 0.93 0.07 0.00 0.00 179.01 181.93 1o8r h GLU 56 N 0.00 0.00 -0.58 1.06 5.08 -1.96 1.26 114.58 119.45 1o8r h GLU 56 Ca 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.24 1o8r h GLU 56 Cb 2.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.97 1o8r h GLU 56 CO -0.53 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.76 1o8r n LEU 57 N -2.52 3.45 -0.37 1.33 4.32 0.88 -4.56 117.00 119.53 1o8r n LEU 57 Ca -0.02 -1.66 0.03 0.00 -0.02 0.00 0.00 56.01 54.34 1o8r n LEU 57 Cb 0.29 -0.38 0.09 0.00 -1.62 0.00 0.00 43.42 41.80 1o8r n LEU 57 CO 0.11 0.83 0.62 1.17 -1.22 0.00 0.00 177.39 178.89 1o8r n LYS 58 N 1.41 -0.16 -0.29 3.23 4.81 0.43 0.11 118.16 127.70 1o8r n LYS 58 Ca 0.21 1.54 0.04 0.00 -0.87 0.00 0.00 58.31 59.23 1o8r n LYS 58 Cb 0.56 -2.29 0.19 0.00 0.02 0.00 0.00 35.03 33.51 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1o8r h PRO 59 N 0.00 0.68 -0.89 1.64 0.10 -1.81 -0.29 132.00 131.43 1o8r h PRO 59 Ca 0.41 -0.04 0.05 0.00 0.10 0.00 0.00 66.00 66.52 1o8r h PRO 59 Cb 0.66 -0.15 -0.06 0.00 0.10 0.00 0.00 31.00 31.55 1o8r h PRO 59 CO -1.00 0.45 0.56 -0.07 0.10 0.00 0.00 178.00 178.04 1o8r h LEU 60 N 0.70 0.91 -1.18 2.35 3.38 0.41 -0.50 115.31 121.37 1o8r h LEU 60 Ca 0.42 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.32 1o8r h LEU 60 Cb 0.48 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1o8r h LEU 60 CO -0.29 0.60 -0.37 0.00 0.09 0.00 0.00 178.44 178.46 1o8r n LYS 62 N -3.82 1.66 -4.48 0.00 4.81 -0.29 -4.84 118.16 111.19 1o8r n LYS 62 Ca -0.01 -1.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.10 1o8r n LYS 62 Cb 0.44 -1.32 -0.11 0.00 0.02 0.00 0.00 35.03 34.06 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1o8r s GLU 63 N -1.73 2.51 0.62 1.64 -1.05 -0.65 -4.99 118.70 115.04 1o8r s GLU 63 Ca 0.27 -0.74 0.34 0.00 -0.15 0.00 0.00 54.97 54.70 1o8r s GLU 63 Cb 0.14 -2.48 2.00 0.00 -0.44 0.00 0.00 34.13 33.36 1o8r s GLU 63 CO 0.21 0.60 2.28 -1.35 0.95 0.00 0.00 175.26 177.95 1o8r h PRO 64 N 4.55 0.00 -0.00 -4.83 0.10 -1.88 -0.17 132.00 129.77 1o8r h PRO 64 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1o8r h PRO 64 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.27 1o8r h PRO 64 CO 0.53 0.00 -0.08 0.09 0.10 0.00 0.00 178.00 178.64 1o8r n ASN 65 N -3.60 0.34 -0.35 -2.05 3.02 -1.26 -3.93 115.26 107.43 1o8r n ASN 65 Ca -0.03 -0.47 0.13 0.00 -0.03 0.00 0.00 54.58 54.18 1o8r n ASN 65 Cb 0.10 -0.12 0.33 0.00 -0.61 0.00 0.00 39.78 39.48 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 3.57 1.71 -0.72 5.41 0.00 -1.07 0.24 119.26 128.40 1o8r h ALA 66 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1o8r h ALA 66 Cb 0.33 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1o8r h ALA 66 CO 0.00 -0.07 0.35 0.37 0.00 0.00 0.00 179.25 179.90 1o8r h GLN 67 N 0.75 0.56 0.14 0.00 4.15 -1.80 0.65 115.11 119.56 1o8r h GLN 67 Ca 0.57 -0.03 -0.28 0.00 0.77 0.00 0.00 58.65 59.68 1o8r h GLN 67 Cb 0.90 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.47 1o8r h GLN 67 CO -0.36 0.37 -1.25 0.93 -1.93 0.00 0.00 178.83 176.59 1o8r h GLU 68 N 0.58 0.29 0.18 1.69 5.08 -1.18 -3.28 114.58 117.93 1o8r h GLU 68 Ca 0.36 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1o8r h GLU 68 Cb 0.41 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1o8r h GLU 68 CO -0.29 1.24 -0.08 0.82 -1.00 0.00 0.00 179.01 179.69 1o8r h ILE 69 N 0.08 0.94 -0.69 3.13 2.04 0.13 -2.67 117.51 120.47 1o8r h ILE 69 Ca -0.14 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.04 1o8r h ILE 69 Cb 1.98 1.39 -0.11 0.00 -0.74 0.00 0.00 36.82 39.34 1o8r h ILE 69 CO 0.21 0.17 -0.52 0.25 0.00 0.00 0.00 178.15 178.26 1o8r h LEU 70 N -0.63 -1.81 -0.12 1.44 7.12 0.15 0.23 115.31 121.70 1o8r h LEU 70 Ca -0.02 0.28 0.05 0.00 0.13 0.00 0.00 57.88 58.31 1o8r h LEU 70 Cb 0.46 0.80 -0.06 0.00 -0.53 0.00 0.00 40.66 41.33 1o8r h LEU 70 CO 0.04 -0.32 -0.31 1.56 -0.13 0.00 0.00 178.44 179.27 1o8r h GLN 71 N -0.19 -0.38 -0.21 1.25 4.20 -1.62 -0.98 115.11 117.18 1o8r h GLN 71 Ca 0.16 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1o8r h GLN 71 Cb 0.53 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 1o8r h GLN 71 CO -0.76 -0.26 -0.39 -0.09 -0.67 0.00 0.00 178.83 176.66 1o8r h ARG 72 N -0.40 -0.40 -0.72 1.46 2.43 -0.66 -0.22 114.38 115.87 1o8r h ARG 72 Ca 0.09 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.45 1o8r h ARG 72 Cb 0.54 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.06 1o8r h ARG 72 CO -0.34 -0.26 0.09 -0.07 -1.51 0.00 0.00 179.97 177.88 1o8r h LEU 73 N -0.41 -0.16 -0.59 3.80 3.38 -0.02 0.10 115.31 121.41 1o8r h LEU 73 Ca 0.10 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1o8r h LEU 73 Cb 0.59 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1o8r h LEU 73 CO -0.44 -0.10 0.27 -0.33 0.09 0.00 0.00 178.44 177.93 1o8r h GLU 74 N 0.18 0.48 0.42 1.13 4.39 0.26 0.28 114.58 121.73 1o8r h GLU 74 Ca 0.40 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1o8r h GLU 74 Cb 0.69 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1o8r h GLU 74 CO -0.56 0.32 -0.20 1.49 -1.16 0.00 0.00 179.01 178.89 1o8r h GLU 75 N 0.50 -0.54 -0.16 2.33 4.81 0.08 -2.01 114.58 119.59 1o8r h GLU 75 Ca 0.28 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1o8r h GLU 75 Cb 0.26 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1o8r h GLU 75 CO -0.23 -0.31 0.10 0.82 -0.73 0.00 0.00 179.01 178.66 1o8r h ILE 76 N -0.66 1.05 -0.15 2.32 2.04 -1.00 -0.17 117.51 120.93 1o8r h ILE 76 Ca -0.06 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1o8r h ILE 76 Cb 0.48 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1o8r h ILE 76 CO 0.09 0.05 -0.12 0.00 0.00 0.00 0.00 178.15 178.18 1o8r h ALA 77 N 1.89 1.52 -0.44 1.87 0.00 -0.02 -0.93 119.26 123.15 1o8r h ALA 77 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1o8r h ALA 77 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1o8r h ALA 77 CO -0.01 0.34 0.00 -1.91 0.00 0.00 0.00 179.25 177.67 1o8r n GLU 78 N -4.29 2.80 -3.40 0.00 2.13 -0.11 -4.08 120.64 113.70 1o8r n GLU 78 Ca -0.01 -1.90 0.03 0.00 0.66 0.00 0.00 57.16 55.95 1o8r n GLU 78 Cb 0.26 -1.67 -0.05 0.00 0.27 0.00 0.00 31.44 30.25 1o8r n GLU 78 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1o8r s ASP 79 N -0.77 -0.06 0.03 4.31 -1.08 -0.36 -4.64 116.67 114.11 1o8r s ASP 79 Ca 0.34 0.09 -0.26 0.00 -0.52 0.00 0.00 52.55 52.20 1o8r s ASP 79 Cb 0.22 1.05 -0.14 0.00 -1.46 0.00 0.00 42.92 42.58 1o8r s ASP 79 CO 0.17 -0.01 1.31 1.55 0.52 0.00 0.00 175.17 178.70 1o8r h PRO 80 N 6.16 -0.90 0.00 4.34 0.14 -1.87 -3.38 132.00 136.49 1o8r h PRO 80 Ca -0.19 0.06 0.00 0.00 0.14 0.00 0.00 66.00 66.01 1o8r h PRO 80 Cb 1.14 0.21 0.00 0.00 0.14 0.00 0.00 31.00 32.49 1o8r h PRO 80 CO 0.14 -0.60 0.00 0.41 0.14 0.00 0.00 178.00 178.09 1o8r n GLY 81 N -1.23 0.46 0.19 1.56 0.00 -1.26 -3.58 105.19 101.33 1o8r n GLY 81 Ca -0.12 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 0.36 0.01 2.61 1.35 -1.96 -3.32 112.91 111.95 1o8r h THR 82 Ca 0.00 -1.50 0.03 0.00 -0.55 0.00 0.00 66.41 64.39 1o8r h THR 82 Cb 0.00 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.55 1o8r h THR 82 CO 0.00 0.20 -0.23 0.00 -0.25 0.00 0.00 175.52 175.24 1o8r h GLU 84 N -0.38 0.15 -0.68 0.00 4.81 -1.73 -0.27 114.58 116.49 1o8r h GLU 84 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1o8r h GLU 84 Cb 0.45 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1o8r h GLU 84 CO -0.20 0.10 0.00 0.44 -0.73 0.00 0.00 179.01 178.62 1o8r n ILE 85 N -4.48 1.68 -1.38 2.32 -5.35 -0.46 -4.90 119.36 106.79 1o8r n ILE 85 Ca 0.04 -1.14 -0.11 0.00 -0.27 0.00 0.00 62.75 61.27 1o8r n ILE 85 Cb 0.27 0.18 -0.04 0.00 -1.74 0.00 0.00 39.64 38.31 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 0.11 1.06 -3.61 0.00 0.00 -0.14 -4.75 120.51 113.19 1o8r n ALA 87 Ca -0.11 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1o8r n ALA 87 Cb 0.37 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1o8r n ALA 87 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1o8r n TYR 88 N -1.85 -1.56 1.53 0.00 4.01 -1.26 -5.00 117.16 113.03 1o8r n TYR 88 Ca -0.00 -1.42 0.10 0.00 -0.16 0.00 0.00 57.90 56.42 1o8r n TYR 88 Cb 0.03 0.51 0.59 0.00 -0.31 0.00 0.00 39.34 40.16 1o8r n TYR 88 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1o8r n ALA 89 N -1.39 2.38 -0.17 -0.72 0.00 -1.26 -3.60 120.51 115.75 1o8r n ALA 89 Ca -0.10 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1o8r n ALA 89 Cb 0.40 -1.32 0.36 0.00 0.00 0.00 0.00 19.45 18.89 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 3.34 1.70 -3.29 0.00 0.00 -1.92 -3.40 119.26 115.69 1o8r h ALA 90 Ca 0.00 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.24 1o8r h ALA 90 Cb 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 17.79 17.34 1o8r h ALA 90 CO 0.00 0.19 -0.74 0.00 0.00 0.00 0.00 179.25 178.71 1o8r s THR 92 N 0.45 4.26 0.00 0.00 -4.23 -0.83 -4.53 115.64 110.75 1o8r s THR 92 Ca -0.08 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1o8r s THR 92 Cb -0.15 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1o8r s THR 92 CO 0.04 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1o8r n GLY 93 N -0.67 0.51 0.24 3.99 0.00 -1.26 -2.96 105.19 105.03 1o8r n GLY 93 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32