#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 1.66 -0.24 2.52 -1.32 -1.20 -4.87 115.64 112.19 1o8r s THR 2 Ca 0.00 -1.90 -0.15 0.00 -1.21 0.00 0.00 61.69 58.43 1o8r s THR 2 Cb 0.00 -1.79 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 1o8r s THR 2 CO 0.00 -0.39 0.35 -0.69 -2.21 0.00 0.00 174.62 171.68 1o8r s VAL 3 N -2.22 5.21 0.39 5.08 1.01 -0.56 -2.04 120.40 127.27 1o8r s VAL 3 Ca 0.15 0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1o8r s VAL 3 Cb -0.05 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1o8r s VAL 3 CO 0.05 0.22 0.12 0.00 0.00 0.00 0.00 175.10 175.49 1o8r n GLN 4 N 4.84 0.65 0.13 2.72 10.64 -0.87 -2.02 117.38 133.48 1o8r n GLN 4 Ca -0.09 -3.19 0.00 0.00 -1.83 0.00 0.00 57.00 51.89 1o8r n GLN 4 Cb 0.51 1.61 0.00 0.00 -0.86 0.00 0.00 30.24 31.50 1o8r n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1o8r n ASP 5 N -1.53 -0.04 -0.27 2.61 8.00 -1.25 -4.86 116.55 119.22 1o8r n ASP 5 Ca -0.07 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1o8r n ASP 5 Cb 0.56 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 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 1.73 1.67 0.07 0.44 0.00 -1.26 -4.90 105.19 102.94 1o8r n GLY 6 Ca 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1o8r n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1o8r n ASN 7 N 0.00 0.21 -4.50 1.61 0.23 -1.26 -4.77 115.26 106.77 1o8r n ASN 7 Ca 0.00 -1.87 -0.33 0.00 -0.53 0.00 0.00 54.58 51.85 1o8r n ASN 7 Cb 0.00 -0.02 -0.13 0.00 -2.08 0.00 0.00 39.78 37.55 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1o8r s PHE 8 N -1.95 2.79 -0.12 -2.53 0.08 -1.26 -5.11 117.98 109.87 1o8r s PHE 8 Ca 0.09 -0.14 -0.06 0.00 0.12 0.00 0.00 56.93 56.94 1o8r s PHE 8 Cb 0.04 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1o8r s PHE 8 CO 0.07 0.20 0.10 -1.12 -0.10 0.00 0.00 175.22 174.37 1o8r s SER 9 N -0.66 6.06 -0.05 1.36 0.01 -1.26 -3.75 113.70 115.41 1o8r s SER 9 Ca 0.10 0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.76 1o8r s SER 9 Cb -0.11 -1.92 -0.00 0.00 0.21 0.00 0.00 66.02 64.20 1o8r s SER 9 CO 0.01 0.38 -0.19 -0.36 0.41 0.00 0.00 173.24 173.49 1o8r s PHE 10 N -0.86 1.94 0.93 2.43 0.08 -0.85 -4.97 117.98 116.66 1o8r s PHE 10 Ca 0.14 -0.60 -0.13 0.00 0.12 0.00 0.00 56.93 56.46 1o8r s PHE 10 Cb -0.12 -1.30 0.15 0.00 -0.57 0.00 0.00 43.02 41.18 1o8r s PHE 10 CO 0.03 -0.21 1.15 -1.54 -0.10 0.00 0.00 175.22 174.55 1o8r s SER 11 N 0.07 3.37 0.00 1.36 1.04 -1.26 -1.50 113.70 116.78 1o8r s SER 11 Ca -0.06 0.90 0.18 0.00 0.48 0.00 0.00 55.95 57.45 1o8r s SER 11 Cb -0.13 -1.42 0.07 0.00 0.10 0.00 0.00 66.02 64.64 1o8r s SER 11 CO 0.03 -2.63 1.00 0.18 0.98 0.00 0.00 173.24 172.80 1o8r n LEU 12 N -3.81 2.14 0.00 2.42 4.77 -1.26 -4.44 117.00 116.82 1o8r n LEU 12 Ca 0.07 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 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 0.56 0.39 0.36 -0.62 -1.33 0.00 0.00 177.39 176.74 1o8r n GLU 13 N 0.49 0.00 -0.31 3.23 1.02 -1.26 -1.33 120.64 122.48 1o8r n GLU 13 Ca 0.09 0.41 0.04 0.00 -0.02 0.00 0.00 57.16 57.68 1o8r n GLU 13 Cb 0.42 -1.30 0.24 0.00 -0.02 0.00 0.00 31.44 30.77 1o8r n GLU 13 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1o8r h SER 14 N 0.00 0.91 -0.01 1.62 0.87 -1.94 -1.47 113.55 113.54 1o8r h SER 14 Ca 0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1o8r h SER 14 Cb 0.00 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1o8r h SER 14 CO 0.00 0.58 0.00 0.58 -0.53 0.00 0.00 176.83 177.46 1o8r h VAL 15 N 1.03 1.06 0.28 2.23 2.07 -1.77 2.22 116.25 123.37 1o8r h VAL 15 Ca 0.40 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1o8r h VAL 15 Cb 0.23 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1o8r h VAL 15 CO -0.16 0.05 -0.27 0.11 0.02 0.00 0.00 177.57 177.32 1o8r h LYS 16 N -0.07 -0.56 -0.12 1.57 1.57 -0.71 0.18 116.57 118.43 1o8r h LYS 16 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1o8r h LYS 16 Cb 0.08 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1o8r h LYS 16 CO -0.00 -0.38 0.00 1.63 -0.57 0.00 0.00 179.45 180.13 1o8r n LYS 17 N -5.40 1.07 0.01 3.15 5.02 -0.60 -3.57 118.16 117.84 1o8r n LYS 17 Ca -0.09 -0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.21 1o8r n LYS 17 Cb 0.30 -1.07 0.47 0.00 -0.02 0.00 0.00 35.03 34.71 1o8r n LYS 17 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1o8r n LEU 18 N -0.38 0.06 0.10 -0.35 7.94 0.75 -2.93 117.00 122.19 1o8r n LEU 18 Ca 0.01 0.51 0.02 0.00 -1.11 0.00 0.00 56.01 55.44 1o8r n LEU 18 Cb 0.05 -0.50 0.39 0.00 0.53 0.00 0.00 43.42 43.90 1o8r n LEU 18 CO 0.01 -0.14 0.93 0.50 -1.11 0.00 0.00 177.39 177.58 1o8r h LYS 19 N 0.00 0.30 -4.56 1.96 3.64 -1.70 -3.40 116.57 112.81 1o8r h LYS 19 Ca 0.00 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 58.75 1o8r h LYS 19 Cb 0.39 -0.05 -0.35 0.00 -0.41 0.00 0.00 32.23 31.81 1o8r h LYS 19 CO 0.00 0.38 -0.82 0.34 -2.27 0.00 0.00 179.45 177.07 1o8r s ASP 20 N -6.85 2.38 -0.32 4.20 2.15 -1.15 -5.03 116.67 112.05 1o8r s ASP 20 Ca -0.06 -0.40 -0.09 0.00 0.43 0.00 0.00 52.55 52.43 1o8r s ASP 20 Cb 0.16 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.75 1o8r s ASP 20 CO 0.73 -0.04 0.15 -0.22 -0.17 0.00 0.00 175.17 175.62 1o8r s LEU 21 N 1.30 4.20 0.00 -1.34 1.98 -1.26 -4.98 118.68 118.57 1o8r s LEU 21 Ca -0.01 -0.66 0.00 0.00 -2.89 0.00 0.00 54.13 50.58 1o8r s LEU 21 Cb -0.14 -1.99 0.00 0.00 0.66 0.00 0.00 46.19 44.73 1o8r s LEU 21 CO -0.06 -0.24 0.00 1.67 -1.89 0.00 0.00 176.35 175.84 1o8r n GLN 22 N 4.97 0.00 -1.13 1.98 7.27 -1.26 -5.06 117.38 124.15 1o8r n GLN 22 Ca -0.13 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.08 1o8r n GLN 22 Cb 0.48 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.09 1o8r n GLN 22 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1o8r n GLU 23 N -0.22 -2.25 -0.63 3.69 1.02 -1.26 -4.76 120.64 116.24 1o8r n GLU 23 Ca 0.00 1.53 -0.30 0.00 -0.02 0.00 0.00 57.16 58.38 1o8r n GLU 23 Cb 0.00 -2.76 0.20 0.00 -0.02 0.00 0.00 31.44 28.86 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1o8r s PRO 24 N -2.25 0.20 0.27 3.49 0.01 -1.26 -5.05 135.00 130.41 1o8r s PRO 24 Ca 0.00 1.26 0.07 0.00 0.01 0.00 0.00 61.00 62.35 1o8r s PRO 24 Cb 0.00 -1.65 -0.06 0.00 0.01 0.00 0.00 34.50 32.80 1o8r s PRO 24 CO 0.00 -3.10 -0.08 1.14 0.01 0.00 0.00 177.00 174.97 1o8r s GLN 25 N -4.57 1.55 -0.95 5.54 -2.07 -1.26 -4.82 119.66 113.08 1o8r s GLN 25 Ca 0.67 -1.77 -0.01 0.00 -1.82 0.00 0.00 55.36 52.43 1o8r s GLN 25 Cb -0.24 -1.24 -0.01 0.00 -1.09 0.00 0.00 33.01 30.43 1o8r s GLN 25 CO 0.61 0.09 0.80 0.39 -1.32 0.00 0.00 175.29 175.86 1o8r n GLU 26 N -0.58 -4.55 -1.28 9.60 1.02 -1.26 -4.96 120.64 118.63 1o8r n GLU 26 Ca -0.06 0.70 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 1o8r n GLU 26 Cb 0.63 -5.21 0.11 0.00 -0.02 0.00 0.00 31.44 26.95 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 27 N -4.88 1.90 -1.21 3.49 0.04 -1.26 -4.89 135.00 128.20 1o8r s PRO 27 Ca 0.09 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 1o8r s PRO 27 Cb -0.01 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.83 1o8r s PRO 27 CO 0.60 -2.01 1.56 1.03 0.04 0.00 0.00 177.00 178.21 1o8r s ARG 28 N -4.04 3.95 -0.05 4.56 0.52 -1.26 -4.95 118.95 117.68 1o8r s ARG 28 Ca 0.73 -2.09 0.06 0.00 -0.52 0.00 0.00 55.73 53.92 1o8r s ARG 28 Cb -0.29 -5.31 -0.01 0.00 0.52 0.00 0.00 34.95 29.86 1o8r s ARG 28 CO 0.48 -2.05 -0.24 0.08 0.02 0.00 0.00 175.30 173.59 1o8r s VAL 29 N 3.27 2.14 -1.53 3.52 1.01 -1.26 -4.99 120.40 122.56 1o8r s VAL 29 Ca 0.48 -1.05 0.30 0.00 0.00 0.00 0.00 61.98 61.71 1o8r s VAL 29 Cb 0.01 -1.77 0.59 0.00 0.00 0.00 0.00 36.38 35.21 1o8r s VAL 29 CO 0.02 0.57 2.07 0.61 0.00 0.00 0.00 175.10 178.37 1o8r n GLY 30 N 2.80 -1.22 3.77 4.51 0.00 -1.26 -4.84 105.19 108.95 1o8r n GLY 30 Ca -0.17 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1o8r n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o8r s LYS 31 N -2.47 3.69 0.21 1.61 2.20 -1.26 -4.97 119.74 118.75 1o8r s LYS 31 Ca 0.32 1.85 -0.30 0.00 -0.36 0.00 0.00 55.97 57.48 1o8r s LYS 31 Cb 0.20 -2.41 -0.08 0.00 -1.51 0.00 0.00 37.83 34.03 1o8r s LYS 31 CO 0.44 -0.63 1.08 -0.51 -0.36 0.00 0.00 175.35 175.37 1o8r s LEU 32 N -3.06 4.52 0.21 5.43 1.43 -1.26 -4.99 118.68 120.96 1o8r s LEU 32 Ca 0.64 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 55.57 1o8r s LEU 32 Cb -0.31 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 1o8r s LEU 32 CO 0.37 -0.16 1.21 -0.13 0.23 0.00 0.00 176.35 177.87 1o8r s ARG 33 N -0.77 4.48 0.00 1.70 0.52 -1.26 -4.89 118.95 118.73 1o8r s ARG 33 Ca 0.47 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 1o8r s ARG 33 Cb -0.30 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 31.95 1o8r s ARG 33 CO 0.36 -0.09 0.00 0.09 0.02 0.00 0.00 175.30 175.69 1o8r n ASN 34 N 2.29 0.00 -4.73 0.23 3.02 -1.26 -4.86 115.26 109.94 1o8r n ASN 34 Ca 0.04 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.23 1o8r n ASN 34 Cb 0.44 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 1o8r n ASN 34 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1o8r s PHE 35 N 0.00 3.44 -0.47 3.10 0.08 -1.25 -4.80 117.98 118.08 1o8r s PHE 35 Ca 0.00 0.48 -0.29 0.00 0.12 0.00 0.00 56.93 57.24 1o8r s PHE 35 Cb 0.00 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 1o8r s PHE 35 CO 0.00 0.27 1.13 0.00 -0.10 0.00 0.00 175.22 176.52 1o8r s ALA 36 N 0.39 3.18 1.00 5.36 0.00 -1.26 -3.63 121.76 126.79 1o8r s ALA 36 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1o8r s ALA 36 Cb -0.12 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1o8r s ALA 36 CO 0.01 -2.21 0.00 -0.35 0.00 0.00 0.00 175.76 173.21 1o8r n PRO 37 N 7.78 1.43 -3.57 0.00 -0.05 -1.26 -5.00 135.00 134.32 1o8r n PRO 37 Ca 0.12 0.00 -0.27 0.00 -0.05 0.00 0.00 63.50 63.30 1o8r n PRO 37 Cb 0.49 0.00 -0.10 0.00 -0.05 0.00 0.00 33.50 33.84 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 -0.40 0.53 -1.85 0.52 2.08 -1.26 -5.03 119.36 113.94 1o8r n ILE 38 Ca 0.00 -4.35 -0.39 0.00 0.56 0.00 0.00 62.75 58.58 1o8r n ILE 38 Cb 0.00 -1.97 0.03 0.00 -0.75 0.00 0.00 39.64 36.95 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1o8r s PRO 39 N -1.09 3.39 0.00 0.38 0.02 -1.26 -3.28 135.00 133.15 1o8r s PRO 39 Ca 0.31 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1o8r s PRO 39 Cb 0.04 -2.40 0.00 0.00 0.02 0.00 0.00 34.50 32.16 1o8r s PRO 39 CO -0.15 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 1o8r n GLY 40 N 0.66 0.90 3.90 0.52 0.00 -1.26 -5.02 105.19 104.89 1o8r n GLY 40 Ca 0.08 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.78 3.63 -0.19 1.61 2.02 -1.21 -5.00 118.70 118.79 1o8r s GLU 41 Ca 0.00 -0.06 -0.28 0.00 0.02 0.00 0.00 54.97 54.65 1o8r s GLU 41 Cb 0.00 -2.79 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 1o8r s GLU 41 CO 0.00 0.40 2.15 -2.14 0.02 0.00 0.00 175.26 175.69 1o8r s PRO 42 N -2.88 3.29 0.07 0.39 0.01 -1.26 -4.96 135.00 129.66 1o8r s PRO 42 Ca 0.42 2.06 0.03 0.00 0.01 0.00 0.00 61.00 63.53 1o8r s PRO 42 Cb -0.12 -4.33 -0.03 0.00 0.01 0.00 0.00 34.50 30.03 1o8r s PRO 42 CO 0.25 -1.93 -0.10 0.08 0.01 0.00 0.00 177.00 175.32 1o8r s VAL 43 N 7.66 0.82 -1.11 3.83 1.01 -1.26 -4.88 120.40 126.47 1o8r s VAL 43 Ca 0.97 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1o8r s VAL 43 Cb -0.33 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1o8r s VAL 43 CO 0.36 -0.46 0.89 0.52 0.00 0.00 0.00 175.10 176.42 1o8r n VAL 44 N 0.96 -7.75 0.30 2.92 0.31 -1.26 -4.79 118.33 109.03 1o8r n VAL 44 Ca -0.19 -1.08 0.16 0.00 -0.01 0.00 0.00 64.34 63.22 1o8r n VAL 44 Cb 0.56 -5.70 0.92 0.00 -0.91 0.00 0.00 33.84 28.71 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1o8r h PRO 45 N -1.41 0.00 0.00 5.55 0.13 -1.92 -3.38 132.00 130.97 1o8r h PRO 45 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1o8r h PRO 45 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1o8r h PRO 45 CO 0.47 0.03 0.00 1.51 -0.23 0.00 0.00 178.00 179.78 1o8r n ILE 46 N -3.59 0.00 0.00 -3.56 3.06 -1.26 -5.11 119.36 108.90 1o8r n ILE 46 Ca -0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1o8r n ILE 46 Cb 0.13 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.31 1o8r n ILE 46 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1o8r n LEU 47 N -0.50 0.00 -4.36 9.51 4.77 -1.26 -4.91 117.00 120.25 1o8r n LEU 47 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1o8r n LEU 47 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1o8r n LEU 47 CO 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 177.39 175.63 1o8r h SER 49 N 7.04 -0.69 -2.96 0.00 0.02 -1.93 -3.40 113.55 111.62 1o8r h SER 49 Ca -0.30 0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.10 1o8r h SER 49 Cb 1.20 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 1o8r h SER 49 CO 0.58 -0.48 1.09 0.20 -1.14 0.00 0.00 176.83 177.07 1o8r s ASN 50 N -3.28 6.40 0.19 3.07 -0.87 -1.26 -4.84 114.94 114.35 1o8r s ASN 50 Ca -0.12 1.31 0.15 0.00 -1.57 0.00 0.00 52.86 52.63 1o8r s ASN 50 Cb 0.01 -2.54 0.77 0.00 -0.02 0.00 0.00 41.25 39.48 1o8r s ASN 50 CO 0.36 -1.29 1.47 -2.65 -2.57 0.00 0.00 177.10 172.41 1o8r n PRO 51 N 7.73 0.10 -1.53 -0.60 -0.02 -1.26 -1.97 135.00 137.45 1o8r n PRO 51 Ca 0.18 0.53 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 1o8r n PRO 51 Cb 0.46 -1.78 0.09 0.00 -0.02 0.00 0.00 33.50 32.26 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1o8r n ASN 52 N -1.98 2.28 -3.68 2.55 3.02 -1.26 -5.03 115.26 111.16 1o8r n ASN 52 Ca -0.00 -3.09 -0.26 0.00 -0.03 0.00 0.00 54.58 51.20 1o8r n ASN 52 Cb 0.07 -0.42 0.18 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.54 -4.00 -1.14 3.10 -1.74 -0.83 -4.80 117.46 107.51 1o8r n PHE 53 Ca 0.20 -1.04 -0.30 0.00 -0.56 0.00 0.00 57.45 55.75 1o8r n PHE 53 Cb 0.89 -0.90 -0.11 0.00 1.52 0.00 0.00 39.48 40.87 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 -3.48 0.27 -0.43 3.97 -0.02 -1.26 -4.66 135.00 129.38 1o8r n PRO 54 Ca 0.15 -1.48 0.38 0.00 -2.02 0.00 0.00 63.50 60.53 1o8r n PRO 54 Cb 0.51 -3.26 0.59 0.00 -0.02 0.00 0.00 33.50 31.32 1o8r n PRO 54 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1o8r n GLU 55 N 8.01 0.01 0.27 -0.52 2.13 -1.26 0.26 120.64 129.54 1o8r n GLU 55 Ca 0.44 1.01 0.12 0.00 0.66 0.00 0.00 57.16 59.39 1o8r n GLU 55 Cb 0.44 -2.42 0.65 0.00 0.27 0.00 0.00 31.44 30.39 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 -0.30 5.31 4.39 -1.97 1.72 114.58 123.73 1o8r h GLU 56 Ca 0.67 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.37 1o8r h GLU 56 Cb 3.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.85 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.12 1o8r n LEU 57 N -2.56 2.20 -0.36 1.33 4.77 0.72 -4.46 117.00 118.64 1o8r n LEU 57 Ca -0.02 -1.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.00 1o8r n LEU 57 Cb 0.33 -0.20 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1o8r n LEU 57 CO 0.11 0.50 0.62 1.17 -1.33 0.00 0.00 177.39 178.46 1o8r n LYS 58 N 0.68 -0.14 -0.29 3.23 3.00 0.59 0.16 118.16 125.39 1o8r n LYS 58 Ca 0.16 1.53 0.05 0.00 -0.00 0.00 0.00 58.31 60.04 1o8r n LYS 58 Cb 0.39 -2.28 0.19 0.00 0.00 0.00 0.00 35.03 33.33 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 0.71 -0.79 1.64 0.10 -1.81 -0.15 132.00 131.70 1o8r h PRO 59 Ca 0.43 -0.04 0.09 0.00 0.10 0.00 0.00 66.00 66.58 1o8r h PRO 59 Cb 0.67 -0.16 -0.07 0.00 0.10 0.00 0.00 31.00 31.54 1o8r h PRO 59 CO -1.00 0.47 0.44 1.25 0.10 0.00 0.00 178.00 179.26 1o8r h LEU 60 N 0.73 0.61 -1.13 2.35 5.85 0.13 0.25 115.31 124.10 1o8r h LEU 60 Ca 0.42 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 59.10 1o8r h LEU 60 Cb 0.48 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1o8r h LEU 60 CO -0.29 0.35 -0.43 0.00 -0.34 0.00 0.00 178.44 177.73 1o8r n LYS 62 N -3.99 0.56 -4.73 0.00 3.00 -0.01 -4.63 118.16 108.37 1o8r n LYS 62 Ca -0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.97 1o8r n LYS 62 Cb 0.46 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.87 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1o8r s GLU 63 N -2.43 2.38 0.47 1.64 -1.05 -0.69 -4.99 118.70 114.03 1o8r s GLU 63 Ca 0.33 -0.79 0.32 0.00 -0.15 0.00 0.00 54.97 54.68 1o8r s GLU 63 Cb 0.21 -2.35 1.68 0.00 -0.44 0.00 0.00 34.13 33.22 1o8r s GLU 63 CO 0.44 0.59 1.97 -1.35 0.95 0.00 0.00 175.26 177.86 1o8r h PRO 64 N 4.92 0.00 0.00 -4.83 0.11 -1.86 -0.89 132.00 129.45 1o8r h PRO 64 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1o8r h PRO 64 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1o8r h PRO 64 CO 0.50 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.38 1o8r n ASN 65 N -2.64 0.00 -0.32 -2.05 3.02 -1.26 -3.72 115.26 108.29 1o8r n ASN 65 Ca -0.02 0.19 0.18 0.00 -0.03 0.00 0.00 54.58 54.90 1o8r n ASN 65 Cb 0.08 -0.40 0.43 0.00 -0.61 0.00 0.00 39.78 39.29 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 3.20 1.99 -0.74 5.41 0.00 -1.19 0.46 119.26 128.40 1o8r h ALA 66 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1o8r h ALA 66 Cb 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1o8r h ALA 66 CO 0.00 -0.37 0.30 0.37 0.00 0.00 0.00 179.25 179.55 1o8r h GLN 67 N 0.54 1.09 0.23 0.00 4.15 -1.81 0.67 115.11 119.98 1o8r h GLN 67 Ca 0.57 -0.19 -0.33 0.00 0.77 0.00 0.00 58.65 59.47 1o8r h GLN 67 Cb 1.19 -0.18 0.03 0.00 0.21 0.00 0.00 27.48 28.73 1o8r h GLN 67 CO -0.31 0.88 -1.45 1.49 -1.93 0.00 0.00 178.83 177.51 1o8r h GLU 68 N 1.07 0.49 -0.36 1.69 4.57 -0.88 -3.22 114.58 117.95 1o8r h GLU 68 Ca 0.25 -0.84 -0.09 0.00 -1.18 0.00 0.00 59.36 57.49 1o8r h GLU 68 Cb 0.20 0.31 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1o8r h GLU 68 CO -0.02 1.40 -0.14 0.82 -1.18 0.00 0.00 179.01 179.89 1o8r h ILE 69 N 0.13 1.28 0.04 2.32 2.04 -0.07 -2.94 117.51 120.32 1o8r h ILE 69 Ca -0.24 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.39 1o8r h ILE 69 Cb 2.14 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 39.50 1o8r h ILE 69 CO 0.26 0.41 -0.50 0.25 0.00 0.00 0.00 178.15 178.57 1o8r h LEU 70 N 0.52 -1.53 -0.17 1.44 7.12 0.26 0.25 115.31 123.20 1o8r h LEU 70 Ca 0.08 0.17 0.05 0.00 0.13 0.00 0.00 57.88 58.31 1o8r h LEU 70 Cb 0.68 0.58 -0.07 0.00 -0.53 0.00 0.00 40.66 41.32 1o8r h LEU 70 CO 0.05 -0.52 -0.36 -0.61 -0.13 0.00 0.00 178.44 176.87 1o8r h GLN 71 N -0.68 -0.40 0.37 1.25 4.15 -1.57 -0.88 115.11 117.35 1o8r h GLN 71 Ca 0.02 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1o8r h GLN 71 Cb 0.72 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1o8r h GLN 71 CO -0.33 -0.27 -0.36 0.00 -1.93 0.00 0.00 178.83 175.95 1o8r h ARG 72 N -0.42 -0.70 -0.91 1.69 3.08 -1.25 -1.45 114.38 114.42 1o8r h ARG 72 Ca 0.10 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.37 1o8r h ARG 72 Cb 0.58 0.16 -0.17 0.00 0.08 0.00 0.00 29.97 30.61 1o8r h ARG 72 CO -0.39 -0.47 -0.24 1.25 -1.07 0.00 0.00 179.97 179.05 1o8r h LEU 73 N -0.73 -0.89 -0.51 3.04 5.85 -0.31 0.51 115.31 122.29 1o8r h LEU 73 Ca -0.05 0.27 0.07 0.00 0.84 0.00 0.00 57.88 59.02 1o8r h LEU 73 Cb 0.63 0.58 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1o8r h LEU 73 CO -0.04 -0.30 0.19 -0.33 -0.34 0.00 0.00 178.44 177.62 1o8r h GLU 74 N -0.00 0.36 -0.02 1.25 4.39 -0.74 -0.78 114.58 119.04 1o8r h GLU 74 Ca 0.43 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.14 1o8r h GLU 74 Cb 0.66 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1o8r h GLU 74 CO -0.94 0.24 -0.20 1.49 -1.16 0.00 0.00 179.01 178.44 1o8r h GLU 75 N 0.37 -0.31 -0.55 2.33 4.81 0.11 -0.78 114.58 120.56 1o8r h GLU 75 Ca 0.24 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1o8r h GLU 75 Cb 0.26 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1o8r h GLU 75 CO -0.24 -0.20 0.36 0.82 -0.73 0.00 0.00 179.01 179.02 1o8r h ILE 76 N -0.32 1.08 -0.09 2.32 1.08 -0.97 0.40 117.51 121.01 1o8r h ILE 76 Ca 0.06 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1o8r h ILE 76 Cb 0.40 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1o8r h ILE 76 CO -0.20 0.12 0.06 0.00 -0.69 0.00 0.00 178.15 177.44 1o8r h ALA 77 N 1.68 2.00 -0.83 1.87 0.00 0.29 -1.73 119.26 122.53 1o8r h ALA 77 Ca 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1o8r h ALA 77 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1o8r h ALA 77 CO -0.06 -0.02 0.43 1.49 0.00 0.00 0.00 179.25 181.09 1o8r h GLU 78 N 0.07 1.18 -3.66 0.00 4.81 -0.17 -3.31 114.58 113.49 1o8r h GLU 78 Ca 0.04 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1o8r h GLU 78 Cb 0.07 -0.22 -0.14 0.00 0.63 0.00 0.00 28.75 29.09 1o8r h GLU 78 CO -0.00 0.89 -0.28 0.16 -0.73 0.00 0.00 179.01 179.04 1o8r s ASP 79 N -6.21 0.01 0.04 1.04 1.47 -0.65 -4.06 116.67 108.30 1o8r s ASP 79 Ca -0.13 -0.52 -0.30 0.00 1.18 0.00 0.00 52.55 52.78 1o8r s ASP 79 Cb 0.16 0.38 -0.17 0.00 -0.34 0.00 0.00 42.92 42.95 1o8r s ASP 79 CO 0.82 -0.75 1.32 1.55 0.68 0.00 0.00 175.17 178.80 1o8r h PRO 80 N 2.70 -1.05 0.00 2.11 0.14 -1.88 -3.43 132.00 130.59 1o8r h PRO 80 Ca -0.34 0.07 0.00 0.00 0.14 0.00 0.00 66.00 65.87 1o8r h PRO 80 Cb 1.21 0.24 0.00 0.00 0.14 0.00 0.00 31.00 32.59 1o8r h PRO 80 CO 0.53 -0.70 0.00 0.41 0.14 0.00 0.00 178.00 178.38 1o8r n GLY 81 N -1.17 0.35 0.16 1.56 0.00 -1.26 -3.33 105.19 101.49 1o8r n GLY 81 Ca -0.14 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.96 -3.34 112.91 111.81 1o8r h THR 82 Ca 0.00 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1o8r h THR 82 Cb 0.00 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1o8r h THR 82 CO 0.00 0.00 -0.18 0.00 -0.25 0.00 0.00 175.52 175.09 1o8r h GLU 84 N -0.43 0.00 -0.46 0.00 4.57 -1.68 -0.77 114.58 115.81 1o8r h GLU 84 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1o8r h GLU 84 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1o8r h GLU 84 CO -0.00 0.00 0.00 0.44 -1.18 0.00 0.00 179.01 178.27 1o8r n ILE 85 N -3.65 2.12 -1.25 2.32 -5.35 -0.68 -4.92 119.36 107.95 1o8r n ILE 85 Ca -0.03 -1.47 -0.10 0.00 -0.27 0.00 0.00 62.75 60.89 1o8r n ILE 85 Cb 0.10 -0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 37.90 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 0.21 1.35 -2.91 0.00 0.00 0.03 -4.77 120.51 114.42 1o8r n ALA 87 Ca -0.10 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1o8r n ALA 87 Cb 0.34 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1o8r n ALA 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1o8r s TYR 88 N -3.32 1.13 -2.00 0.00 5.04 -1.25 -5.01 117.35 111.94 1o8r s TYR 88 Ca 0.02 -1.35 0.24 0.00 -2.44 0.00 0.00 57.07 53.54 1o8r s TYR 88 Cb 0.07 -0.07 1.45 0.00 0.35 0.00 0.00 41.96 43.75 1o8r s TYR 88 CO 0.25 -1.19 1.88 0.00 -1.34 0.00 0.00 175.55 175.15 1o8r n ALA 89 N -0.60 2.56 -0.37 3.97 0.00 -1.26 -3.71 120.51 121.09 1o8r n ALA 89 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1o8r n ALA 89 Cb 0.61 -1.39 0.15 0.00 0.00 0.00 0.00 19.45 18.82 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 3.66 1.35 -3.28 0.00 0.00 -1.92 -3.40 119.26 115.67 1o8r h ALA 90 Ca 0.00 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 54.23 1o8r h ALA 90 Cb 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 17.79 17.23 1o8r h ALA 90 CO 0.00 0.54 -0.65 0.00 0.00 0.00 0.00 179.25 179.14 1o8r s THR 92 N 0.42 3.90 0.00 0.00 -4.23 -0.86 -4.55 115.64 110.31 1o8r s THR 92 Ca -0.02 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1o8r s THR 92 Cb -0.14 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1o8r s THR 92 CO 0.02 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1o8r n GLY 93 N -0.99 1.00 0.00 3.99 0.00 -1.26 -3.25 105.19 104.68 1o8r n GLY 93 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32