#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8n s THR 12 N 0.00 4.92 -0.10 5.15 2.01 0.48 -4.88 115.64 123.22 1v8n s THR 12 Ca 0.00 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 1v8n s THR 12 Cb 0.00 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 1v8n s THR 12 CO 0.00 0.48 0.34 -0.31 -0.69 0.00 0.00 174.62 174.44 1v8n s TYR 13 N 0.17 3.57 -0.31 4.92 1.51 -1.26 0.52 117.35 126.47 1v8n s TYR 13 Ca 0.05 0.75 0.13 0.00 -1.01 0.00 0.00 57.07 57.00 1v8n s TYR 13 Cb -0.12 -2.31 -0.17 0.00 -0.11 0.00 0.00 41.96 39.25 1v8n s TYR 13 CO 0.00 0.41 0.42 1.28 -1.11 0.00 0.00 175.55 176.55 1v8n n LEU 14 N 2.86 0.30 -3.64 -1.29 4.32 0.75 -4.98 117.00 115.32 1v8n n LEU 14 Ca -0.13 -0.25 -0.08 0.00 -0.02 0.00 0.00 56.01 55.53 1v8n n LEU 14 Cb 0.52 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.25 1v8n n LEU 14 CO 0.39 0.07 0.57 -0.47 -1.22 0.00 0.00 177.39 176.73 1v8n s TYR 15 N -2.57 -0.69 -0.36 -1.77 5.04 -0.99 -4.95 117.35 111.05 1v8n s TYR 15 Ca -0.00 1.53 0.02 0.00 -2.44 0.00 0.00 57.07 56.19 1v8n s TYR 15 Cb 0.09 0.40 0.11 0.00 0.35 0.00 0.00 41.96 42.90 1v8n s TYR 15 CO 0.54 -0.34 0.11 1.03 -1.34 0.00 0.00 175.55 175.55 1v8n s ARG 16 N 0.81 1.28 0.00 4.97 0.52 -1.26 -0.41 118.95 124.86 1v8n s ARG 16 Ca -0.03 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 53.45 1v8n s ARG 16 Cb -0.05 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1v8n s ARG 16 CO -0.09 -0.99 0.00 0.41 0.02 0.00 0.00 175.30 174.64 1v8n n GLY 17 N 4.24 2.30 0.11 -3.53 0.00 0.46 -5.00 105.19 103.77 1v8n n GLY 17 Ca 0.03 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1v8n n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v8n h ARG 18 N 0.00 -0.14 -0.09 1.61 -0.00 -2.01 -3.38 114.38 110.36 1v8n h ARG 18 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1v8n h ARG 18 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.00 1v8n h ARG 18 CO 0.00 0.29 0.00 0.44 0.00 0.00 0.00 179.97 180.70 1v8n n ILE 19 N -4.84 0.14 -3.46 2.04 -5.35 -1.26 -5.02 119.36 101.61 1v8n n ILE 19 Ca -0.06 -0.57 -0.13 0.00 -0.27 0.00 0.00 62.75 61.72 1v8n n ILE 19 Cb 0.25 1.24 -0.03 0.00 -1.74 0.00 0.00 39.64 39.36 1v8n n ILE 19 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1v8n s LEU 20 N -1.38 -0.55 0.04 7.28 0.05 -1.26 -3.95 118.68 118.91 1v8n s LEU 20 Ca 0.22 0.18 0.06 0.00 0.05 0.00 0.00 54.13 54.65 1v8n s LEU 20 Cb 0.15 2.48 -0.02 0.00 -2.05 0.00 0.00 46.19 46.74 1v8n s LEU 20 CO 0.22 -0.81 -0.18 0.20 -0.55 0.00 0.00 176.35 175.23 1v8n s ASN 21 N -2.29 2.11 -0.26 1.48 0.01 -0.65 -0.40 114.94 114.95 1v8n s ASN 21 Ca -0.01 -0.47 -0.04 0.00 -0.71 0.00 0.00 52.86 51.62 1v8n s ASN 21 Cb -0.01 -0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.49 1v8n s ASN 21 CO -0.07 0.12 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.42 1v8n s LEU 22 N -1.07 3.35 0.40 0.60 2.96 0.45 -0.83 118.68 124.54 1v8n s LEU 22 Ca 0.05 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 1v8n s LEU 22 Cb -0.08 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1v8n s LEU 22 CO 0.01 -0.12 0.05 0.00 -1.32 0.00 0.00 176.35 174.97 1v8n s ALA 23 N 1.43 3.04 -0.01 5.97 0.00 0.55 -0.18 121.76 132.57 1v8n s ALA 23 Ca 0.03 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.40 1v8n s ALA 23 Cb -0.16 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1v8n s ALA 23 CO -0.02 -0.21 -0.03 -0.51 0.00 0.00 0.00 175.76 174.99 1v8n s LEU 24 N -3.65 1.74 -0.63 0.00 1.43 0.18 -0.98 118.68 116.78 1v8n s LEU 24 Ca 0.27 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1v8n s LEU 24 Cb 0.06 -0.23 0.29 0.00 0.03 0.00 0.00 46.19 46.35 1v8n s LEU 24 CO 0.13 0.00 0.87 -0.62 0.23 0.00 0.00 176.35 176.97 1v8n n GLU 25 N 3.36 2.95 0.00 1.70 1.02 -0.44 -0.39 120.64 128.84 1v8n n GLU 25 Ca -0.17 -4.76 0.00 0.00 -0.02 0.00 0.00 57.16 52.21 1v8n n GLU 25 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1v8n n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8n n GLY 26 N 0.37 2.27 0.05 0.62 0.00 -1.26 -3.49 105.19 103.75 1v8n n GLY 26 Ca 0.31 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 1v8n n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v8n n ARG 27 N 0.00 2.31 -2.74 1.61 0.00 -1.26 -5.00 116.66 111.58 1v8n n ARG 27 Ca 0.00 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1v8n n ARG 27 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 32.46 31.16 1v8n n ARG 27 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1v8n s TYR 28 N -2.25 3.69 -0.19 -0.14 1.51 -1.23 -5.03 117.35 113.72 1v8n s TYR 28 Ca -0.05 1.70 -0.17 0.00 -1.01 0.00 0.00 57.07 57.53 1v8n s TYR 28 Cb 0.03 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 1v8n s TYR 28 CO 0.42 0.05 0.46 -1.21 -1.11 0.00 0.00 175.55 174.16 1v8n s GLU 29 N 0.75 4.21 -0.06 -0.62 2.02 -1.26 -1.33 118.70 122.40 1v8n s GLU 29 Ca 0.50 0.33 0.03 0.00 0.02 0.00 0.00 54.97 55.85 1v8n s GLU 29 Cb -0.21 -3.53 0.01 0.00 0.10 0.00 0.00 34.13 30.49 1v8n s GLU 29 CO 0.28 -0.06 -0.16 0.42 0.02 0.00 0.00 175.26 175.76 1v8n s ILE 30 N 1.35 1.39 -0.34 -1.63 1.01 -0.15 -4.73 121.20 118.09 1v8n s ILE 30 Ca 0.22 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 1v8n s ILE 30 Cb -0.15 -1.22 0.03 0.00 0.01 0.00 0.00 42.46 41.13 1v8n s ILE 30 CO 0.09 0.41 0.13 -0.69 0.00 0.00 0.00 174.94 174.87 1v8n s VAL 31 N 0.40 3.99 0.16 2.92 1.01 0.68 -0.33 120.40 129.23 1v8n s VAL 31 Ca -0.12 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1v8n s VAL 31 Cb -0.15 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1v8n s VAL 31 CO 0.04 -0.17 0.96 -1.61 0.00 0.00 0.00 175.10 174.32 1v8n s GLU 32 N 1.45 4.75 -0.03 2.72 2.02 -0.01 -2.94 118.70 126.66 1v8n s GLU 32 Ca -0.00 1.47 -0.07 0.00 0.02 0.00 0.00 54.97 56.39 1v8n s GLU 32 Cb -0.19 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.71 1v8n s GLU 32 CO 0.04 0.31 0.16 -1.58 0.02 0.00 0.00 175.26 174.22 1v8n s HIS 33 N -0.41 -0.09 0.62 1.61 2.46 -1.26 -1.64 115.29 116.58 1v8n s HIS 33 Ca 0.45 0.19 -0.18 0.00 0.47 0.00 0.00 55.06 55.99 1v8n s HIS 33 Cb -0.24 0.02 -0.02 0.00 -0.13 0.00 0.00 32.58 32.20 1v8n s HIS 33 CO 0.31 -0.19 1.22 0.15 -2.47 0.00 0.00 174.74 173.76 1v8n s LYS 34 N -0.63 2.79 0.77 2.88 1.02 -1.25 -4.28 119.74 121.04 1v8n s LYS 34 Ca -0.07 1.86 -0.11 0.00 0.02 0.00 0.00 55.97 57.67 1v8n s LYS 34 Cb -0.04 -1.90 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 1v8n s LYS 34 CO 0.01 -1.35 1.09 -1.25 -0.92 0.00 0.00 175.35 172.92 1v8n s PRO 35 N -3.42 2.28 0.32 -1.68 0.04 -1.26 -4.56 135.00 126.72 1v8n s PRO 35 Ca 0.78 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.97 1v8n s PRO 35 Cb -0.31 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1v8n s PRO 35 CO 0.36 -1.61 0.11 0.00 0.04 0.00 0.00 177.00 175.89 1v8n s ALA 36 N -2.93 2.23 0.12 8.56 0.00 0.69 -1.67 121.76 128.76 1v8n s ALA 36 Ca 0.61 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1v8n s ALA 36 Cb -0.17 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1v8n s ALA 36 CO 0.56 -0.40 -0.09 0.14 0.00 0.00 0.00 175.76 175.97 1v8n s VAL 37 N -3.47 0.96 -0.06 0.00 -7.23 -0.26 -0.52 120.40 109.82 1v8n s VAL 37 Ca 0.34 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 1v8n s VAL 37 Cb 0.06 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.31 1v8n s VAL 37 CO 0.15 -0.76 0.24 0.00 -0.31 0.00 0.00 175.10 174.41 1v8n s ALA 38 N -3.30 -0.58 -0.15 1.32 0.00 -0.52 -2.07 121.76 116.46 1v8n s ALA 38 Ca 0.13 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1v8n s ALA 38 Cb 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1v8n s ALA 38 CO -0.01 -0.17 -0.17 0.08 0.00 0.00 0.00 175.76 175.49 1v8n s VAL 39 N -0.52 1.76 -0.21 0.00 1.01 0.35 -0.92 120.40 121.87 1v8n s VAL 39 Ca -0.06 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1v8n s VAL 39 Cb -0.04 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1v8n s VAL 39 CO 0.01 0.49 0.46 -0.63 0.00 0.00 0.00 175.10 175.43 1v8n s ILE 40 N 1.24 5.14 -0.03 2.22 1.01 0.68 -4.03 121.20 127.43 1v8n s ILE 40 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1v8n s ILE 40 Cb -0.14 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1v8n s ILE 40 CO -0.08 0.19 0.00 0.00 0.00 0.00 0.00 174.94 175.06 1v8n s ALA 41 N 1.61 0.34 -0.05 9.38 0.00 -1.26 -0.36 121.76 131.42 1v8n s ALA 41 Ca 0.21 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.37 1v8n s ALA 41 Cb -0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1v8n s ALA 41 CO 0.09 -0.13 -0.24 -1.17 0.00 0.00 0.00 175.76 174.31 1v8n s LEU 42 N 1.18 2.05 -0.15 0.00 2.96 -1.26 -1.01 118.68 122.45 1v8n s LEU 42 Ca -0.08 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1v8n s LEU 42 Cb -0.13 -1.31 0.07 0.00 0.50 0.00 0.00 46.19 45.31 1v8n s LEU 42 CO -0.02 0.24 0.31 -0.60 -1.32 0.00 0.00 176.35 174.96 1v8n s ARG 43 N -0.19 0.21 -1.52 1.98 3.52 -0.06 -4.90 118.95 117.99 1v8n s ARG 43 Ca -0.02 0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 56.26 1v8n s ARG 43 Cb -0.13 0.04 0.08 0.00 -1.56 0.00 0.00 34.95 33.38 1v8n s ARG 43 CO 0.03 -0.25 0.84 0.39 -0.81 0.00 0.00 175.30 175.49 1v8n n GLU 44 N 5.14 -4.69 -0.55 5.12 1.02 -1.26 -1.04 120.64 124.37 1v8n n GLU 44 Ca -0.10 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1v8n n GLU 44 Cb 0.50 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.67 1v8n n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8n n GLY 45 N -1.65 1.78 3.75 0.62 0.00 -1.26 -5.01 105.19 103.42 1v8n n GLY 45 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1v8n n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v8n s ARG 46 N -0.03 3.14 0.04 1.61 0.52 -0.21 -4.30 118.95 119.73 1v8n s ARG 46 Ca 0.00 -0.31 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1v8n s ARG 46 Cb 0.00 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 1v8n s ARG 46 CO 0.00 0.73 0.29 1.41 0.02 0.00 0.00 175.30 177.75 1v8n s MET 47 N -0.95 3.58 -0.81 3.54 -2.45 0.63 -0.88 119.30 121.95 1v8n s MET 47 Ca 0.14 -0.11 -0.23 0.00 -1.25 0.00 0.00 55.69 54.24 1v8n s MET 47 Cb -0.12 -3.03 0.07 0.00 1.25 0.00 0.00 34.83 33.01 1v8n s MET 47 CO 0.03 0.61 1.16 -1.17 1.05 0.00 0.00 175.02 176.70 1v8n s LEU 48 N -2.03 4.13 0.28 4.11 2.96 -0.18 -1.55 118.68 126.41 1v8n s LEU 48 Ca 0.31 -1.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.04 1v8n s LEU 48 Cb -0.13 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 1v8n s LEU 48 CO 0.19 -1.44 0.41 -0.36 -1.32 0.00 0.00 176.35 173.83 1v8n s PHE 49 N 4.24 3.33 0.03 5.38 0.40 -0.50 -4.25 117.98 126.60 1v8n s PHE 49 Ca 0.32 -0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1v8n s PHE 49 Cb -0.09 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 1v8n s PHE 49 CO 0.02 0.26 -0.03 0.14 0.70 0.00 0.00 175.22 176.32 1v8n s VAL 50 N -2.06 0.15 0.03 -0.44 -7.23 -0.15 0.23 120.40 110.93 1v8n s VAL 50 Ca 0.38 -1.08 0.02 0.00 -1.81 0.00 0.00 61.98 59.49 1v8n s VAL 50 Cb -0.09 -0.50 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 1v8n s VAL 50 CO 0.30 -0.58 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.31 1v8n s ARG 51 N -1.90 0.46 0.08 4.82 0.52 -0.19 -1.56 118.95 121.19 1v8n s ARG 51 Ca -0.12 -0.65 -0.24 0.00 -0.52 0.00 0.00 55.73 54.19 1v8n s ARG 51 Cb -0.07 -0.22 0.06 0.00 0.52 0.00 0.00 34.95 35.25 1v8n s ARG 51 CO -0.02 0.04 0.59 1.14 0.02 0.00 0.00 175.30 177.06 1v8n s GLN 52 N -1.37 1.16 0.18 3.54 -2.07 -1.26 -1.04 119.66 118.79 1v8n s GLN 52 Ca -0.10 -0.25 -0.31 0.00 -1.82 0.00 0.00 55.36 52.89 1v8n s GLN 52 Cb -0.09 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.27 1v8n s GLN 52 CO 0.00 -0.45 1.43 1.41 -1.32 0.00 0.00 175.29 176.36 1v8n s MET 53 N -2.83 4.29 -0.47 9.60 -2.45 -1.26 -4.39 119.30 121.79 1v8n s MET 53 Ca -0.03 2.21 0.04 0.00 -1.25 0.00 0.00 55.69 56.66 1v8n s MET 53 Cb -0.01 -3.17 0.12 0.00 1.25 0.00 0.00 34.83 33.03 1v8n s MET 53 CO -0.05 -0.44 0.20 1.03 1.05 0.00 0.00 175.02 176.82 1v8n s ARG 54 N 0.42 1.83 0.52 4.11 1.81 -1.17 -4.98 118.95 121.49 1v8n s ARG 54 Ca 0.63 -2.42 0.29 0.00 -1.72 0.00 0.00 55.73 52.51 1v8n s ARG 54 Cb -0.40 -3.27 1.43 0.00 -0.45 0.00 0.00 34.95 32.26 1v8n s ARG 54 CO 0.36 -1.07 1.90 -1.00 -0.68 0.00 0.00 175.30 174.81 1v8n h PRO 55 N 6.79 0.04 0.00 3.54 0.13 -1.93 0.51 132.00 141.08 1v8n h PRO 55 Ca -0.07 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1v8n h PRO 55 Cb 0.93 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1v8n h PRO 55 CO 0.64 0.03 -0.17 0.00 -0.23 0.00 0.00 178.00 178.27 1v8n h ALA 56 N 1.58 1.59 0.00 -0.56 0.00 -1.94 -3.18 119.26 116.75 1v8n h ALA 56 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1v8n h ALA 56 Cb 1.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1v8n h ALA 56 CO -0.02 0.22 -0.81 1.33 0.00 0.00 0.00 179.25 179.96 1v8n n VAL 57 N -4.15 0.00 -1.03 0.00 0.24 -0.30 -5.02 118.33 108.07 1v8n n VAL 57 Ca -0.02 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.01 1v8n n VAL 57 Cb 0.25 0.69 -0.00 0.00 -1.47 0.00 0.00 33.84 33.30 1v8n n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v8n n GLY 58 N 1.58 0.49 3.77 7.63 0.00 0.01 -5.00 105.19 113.66 1v8n n GLY 58 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1v8n n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v8n s LEU 59 N -0.20 0.03 -0.48 0.99 0.05 -1.24 -4.98 118.68 112.84 1v8n s LEU 59 Ca 0.00 -0.91 -0.05 0.00 0.05 0.00 0.00 54.13 53.22 1v8n s LEU 59 Cb 0.00 2.50 0.13 0.00 -2.05 0.00 0.00 46.19 46.77 1v8n s LEU 59 CO 0.00 -1.42 0.31 0.00 -0.55 0.00 0.00 176.35 174.69 1v8n s ALA 60 N -3.35 3.34 0.77 1.48 0.00 -1.26 -3.04 121.76 119.70 1v8n s ALA 60 Ca 0.16 -2.69 -0.11 0.00 0.00 0.00 0.00 51.96 49.31 1v8n s ALA 60 Cb -0.04 -2.64 0.05 0.00 0.00 0.00 0.00 23.12 20.49 1v8n s ALA 60 CO 0.10 -1.91 1.09 -1.25 0.00 0.00 0.00 175.76 173.79 1v8n s PRO 61 N 0.97 2.32 -0.25 0.00 0.04 -1.26 -4.76 135.00 132.07 1v8n s PRO 61 Ca 0.09 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 61.52 1v8n s PRO 61 Cb -0.23 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1v8n s PRO 61 CO -0.03 -1.46 0.91 -1.17 0.04 0.00 0.00 177.00 175.30 1v8n s LEU 62 N -5.68 4.08 0.00 -3.56 2.96 0.95 -4.55 118.68 112.88 1v8n s LEU 62 Ca 0.60 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.65 1v8n s LEU 62 Cb -0.14 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.22 1v8n s LEU 62 CO 0.54 -0.60 0.04 -0.62 -1.32 0.00 0.00 176.35 174.39 1v8n n GLU 63 N 6.18 1.04 -4.39 1.98 1.02 -0.60 -2.22 120.64 123.65 1v8n n GLU 63 Ca 0.08 -1.63 -0.20 0.00 -0.02 0.00 0.00 57.16 55.39 1v8n n GLU 63 Cb 0.47 0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 32.49 1v8n n GLU 63 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1v8n s ILE 64 N -2.08 1.79 0.01 -3.67 -4.36 -1.26 -0.98 121.20 110.65 1v8n s ILE 64 Ca 0.06 -2.21 -0.38 0.00 -0.26 0.00 0.00 60.65 57.86 1v8n s ILE 64 Cb 0.00 -2.21 -0.17 0.00 1.25 0.00 0.00 42.46 41.33 1v8n s ILE 64 CO 0.04 -0.47 1.37 -2.65 0.24 0.00 0.00 174.94 173.47 1v8n n PRO 65 N -0.48 0.96 -3.71 0.37 -0.02 -1.26 -4.73 135.00 126.13 1v8n n PRO 65 Ca -0.07 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.67 1v8n n PRO 65 Cb 0.61 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1v8n n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v8n s ALA 66 N 0.93 -1.37 0.00 3.55 0.00 -1.26 -0.49 121.76 123.12 1v8n s ALA 66 Ca 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1v8n s ALA 66 Cb -1.03 0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1v8n s ALA 66 CO 0.52 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1v8n n GLY 67 N -0.43 -0.12 3.82 0.00 0.00 -0.88 -4.97 105.19 102.61 1v8n n GLY 67 Ca -0.08 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1v8n n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8n s LEU 68 N 0.00 4.19 -0.00 0.99 1.02 -1.26 -1.10 118.68 122.51 1v8n s LEU 68 Ca 0.00 1.49 -0.30 0.00 0.02 0.00 0.00 54.13 55.34 1v8n s LEU 68 Cb 0.00 -3.97 -0.03 0.00 0.02 0.00 0.00 46.19 42.21 1v8n s LEU 68 CO 0.00 -0.12 1.02 -0.63 0.02 0.00 0.00 176.35 176.64 1v8n s ILE 69 N -1.79 4.72 0.55 -0.59 1.01 -0.67 -4.90 121.20 119.52 1v8n s ILE 69 Ca 0.51 1.96 -0.08 0.00 0.00 0.00 0.00 60.65 63.04 1v8n s ILE 69 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1v8n s ILE 69 CO 0.19 0.14 0.90 -1.61 0.00 0.00 0.00 174.94 174.56 1v8n s GLU 70 N 1.12 3.54 0.35 2.79 0.41 -1.26 -4.81 118.70 120.83 1v8n s GLU 70 Ca 0.53 0.44 -0.29 0.00 -0.41 0.00 0.00 54.97 55.24 1v8n s GLU 70 Cb -0.22 -2.24 -0.11 0.00 -1.78 0.00 0.00 34.13 29.78 1v8n s GLU 70 CO 0.27 -0.39 1.52 -0.35 -0.49 0.00 0.00 175.26 175.82 1v8n n PRO 71 N -2.50 2.68 -0.03 0.39 -0.04 -1.26 -1.56 135.00 132.68 1v8n n PRO 71 Ca 0.03 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 1v8n n PRO 71 Cb 0.55 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1v8n n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1v8n n GLY 72 N 1.06 1.80 3.90 0.55 0.00 -1.26 -5.03 105.19 106.20 1v8n n GLY 72 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1v8n n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v8n s GLU 73 N -0.39 3.55 0.36 1.61 2.02 -0.60 -5.12 118.70 120.13 1v8n s GLU 73 Ca 0.00 -0.19 0.08 0.00 0.02 0.00 0.00 54.97 54.88 1v8n s GLU 73 Cb 0.00 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1v8n s GLU 73 CO 0.00 0.59 0.32 0.16 0.02 0.00 0.00 175.26 176.35 1v8n s ASP 74 N -2.13 5.21 0.23 -0.19 1.47 -1.26 -4.79 116.67 115.21 1v8n s ASP 74 Ca 0.33 -0.57 -0.09 0.00 1.18 0.00 0.00 52.55 53.40 1v8n s ASP 74 Cb -0.13 -0.84 0.35 0.00 -0.34 0.00 0.00 42.92 41.96 1v8n s ASP 74 CO 0.22 -0.45 1.66 -0.65 0.68 0.00 0.00 175.17 176.62 1v8n h PRO 75 N 1.18 0.12 -0.62 2.11 0.11 -1.99 -1.67 132.00 131.25 1v8n h PRO 75 Ca -0.44 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1v8n h PRO 75 Cb 1.26 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1v8n h PRO 75 CO 0.58 0.08 0.36 1.25 -0.21 0.00 0.00 178.00 180.06 1v8n h LEU 76 N 0.13 0.57 -0.58 2.35 5.85 -1.97 -0.11 115.31 121.55 1v8n h LEU 76 Ca 0.36 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 1v8n h LEU 76 Cb 0.59 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1v8n h LEU 76 CO -0.57 0.39 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.53 1v8n h GLU 77 N 0.70 1.06 -0.66 1.25 5.08 -1.83 -1.90 114.58 118.28 1v8n h GLU 77 Ca 0.26 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1v8n h GLU 77 Cb 0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1v8n h GLU 77 CO -0.13 1.07 0.15 0.00 -1.00 0.00 0.00 179.01 179.10 1v8n h ALA 78 N 0.96 1.03 -0.33 3.43 0.00 -0.89 -1.19 119.26 122.26 1v8n h ALA 78 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1v8n h ALA 78 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1v8n h ALA 78 CO 0.04 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.08 1v8n h ALA 79 N 1.17 0.42 -0.30 0.00 0.00 -0.78 -0.19 119.26 119.59 1v8n h ALA 79 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1v8n h ALA 79 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1v8n h ALA 79 CO 0.00 -0.01 0.11 -0.09 0.00 0.00 0.00 179.25 179.27 1v8n h ARG 80 N 0.39 0.25 -0.23 0.00 2.43 -1.06 -1.60 114.38 114.57 1v8n h ARG 80 Ca 0.11 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1v8n h ARG 80 Cb 0.13 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1v8n h ARG 80 CO -0.01 0.16 0.12 -0.09 -1.51 0.00 0.00 179.97 178.64 1v8n h ARG 81 N 0.25 0.32 -0.62 0.20 2.43 -0.91 -2.16 114.38 113.89 1v8n h ARG 81 Ca 0.13 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1v8n h ARG 81 Cb 0.09 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1v8n h ARG 81 CO -0.13 0.30 0.16 0.93 -1.51 0.00 0.00 179.97 179.72 1v8n h GLU 82 N 0.25 0.96 -0.58 0.20 4.39 -0.88 0.21 114.58 119.13 1v8n h GLU 82 Ca 0.08 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1v8n h GLU 82 Cb 0.07 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1v8n h GLU 82 CO -0.01 0.85 0.27 1.25 -1.16 0.00 0.00 179.01 180.20 1v8n h LEU 83 N 0.92 0.76 -0.19 1.33 5.85 -1.17 -0.23 115.31 122.58 1v8n h LEU 83 Ca 0.20 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1v8n h LEU 83 Cb 0.31 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1v8n h LEU 83 CO -0.00 0.69 -0.30 0.00 -0.34 0.00 0.00 178.44 178.48 1v8n h ALA 84 N 1.11 0.29 -0.34 1.25 0.00 -0.96 -1.55 119.26 119.06 1v8n h ALA 84 Ca 0.20 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1v8n h ALA 84 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1v8n h ALA 84 CO -0.02 0.31 -0.37 0.93 0.00 0.00 0.00 179.25 180.10 1v8n h GLU 85 N 0.20 0.79 0.00 0.00 5.08 -0.50 0.31 114.58 120.45 1v8n h GLU 85 Ca 0.02 -0.39 -0.18 0.00 -1.00 0.00 0.00 59.36 57.81 1v8n h GLU 85 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1v8n h GLU 85 CO 0.07 1.02 -1.28 0.93 -1.00 0.00 0.00 179.01 178.75 1v8n h GLU 86 N 0.65 0.00 0.00 2.33 5.08 -1.12 -3.41 114.58 118.11 1v8n h GLU 86 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1v8n h GLU 86 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1v8n h GLU 86 CO 0.08 0.39 0.00 0.25 -1.00 0.00 0.00 179.01 178.73 1v8n n THR 87 N -2.99 0.00 -1.50 1.13 -2.24 -0.60 -4.71 114.28 103.37 1v8n n THR 87 Ca -0.08 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 1v8n n THR 87 Cb 0.85 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 70.09 1v8n n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v8n n GLY 88 N 0.57 0.70 3.50 3.38 0.00 0.11 -4.98 105.19 108.47 1v8n n GLY 88 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1v8n n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8n s LEU 89 N -1.92 2.70 0.10 0.99 1.43 -1.21 -0.94 118.68 119.83 1v8n s LEU 89 Ca 0.00 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1v8n s LEU 89 Cb 0.00 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1v8n s LEU 89 CO 0.00 0.03 -0.07 -0.94 0.23 0.00 0.00 176.35 175.60 1v8n s SER 90 N -3.54 1.23 0.11 2.29 1.04 -0.08 -2.63 113.70 112.11 1v8n s SER 90 Ca 0.30 -1.01 -0.17 0.00 0.48 0.00 0.00 55.95 55.55 1v8n s SER 90 Cb -0.05 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.21 1v8n s SER 90 CO 0.16 -0.45 0.82 0.61 0.98 0.00 0.00 173.24 175.37 1v8n n GLY 91 N -0.06 0.68 3.58 7.32 0.00 -1.26 -1.01 105.19 114.44 1v8n n GLY 91 Ca -0.12 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1v8n n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v8n s ASP 92 N -2.92 6.50 -0.07 1.61 1.01 0.57 -4.85 116.67 118.53 1v8n s ASP 92 Ca 0.19 0.31 -0.10 0.00 0.71 0.00 0.00 52.55 53.65 1v8n s ASP 92 Cb -0.02 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1v8n s ASP 92 CO 0.03 -0.62 0.26 -0.76 0.21 0.00 0.00 175.17 174.29 1v8n s LEU 93 N 2.84 4.43 -0.06 1.23 1.43 -1.26 -1.19 118.68 126.11 1v8n s LEU 93 Ca 0.28 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1v8n s LEU 93 Cb -0.14 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.80 1v8n s LEU 93 CO 0.15 0.37 -0.06 -0.89 0.23 0.00 0.00 176.35 176.15 1v8n s THR 94 N -1.04 0.70 0.18 5.49 2.01 -0.09 -4.95 115.64 117.95 1v8n s THR 94 Ca 0.19 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1v8n s THR 94 Cb -0.14 -0.71 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 1v8n s THR 94 CO 0.08 0.27 1.38 -0.47 -0.69 0.00 0.00 174.62 175.19 1v8n s TYR 95 N 1.05 3.19 -0.09 4.92 5.04 -1.26 -0.54 117.35 129.65 1v8n s TYR 95 Ca -0.09 1.06 -0.12 0.00 -2.44 0.00 0.00 57.07 55.49 1v8n s TYR 95 Cb -0.14 -3.70 -0.04 0.00 0.35 0.00 0.00 41.96 38.43 1v8n s TYR 95 CO -0.00 -2.30 -0.23 1.28 -1.34 0.00 0.00 175.55 172.95 1v8n n LEU 96 N 3.02 1.57 -3.88 6.97 4.77 -0.11 -4.90 117.00 124.44 1v8n n LEU 96 Ca 0.08 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1v8n n LEU 96 Cb 0.42 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1v8n n LEU 96 CO 0.59 -0.42 0.91 0.72 -1.33 0.00 0.00 177.39 177.86 1v8n s PHE 97 N -2.52 0.04 0.14 -1.77 -0.71 -1.18 -5.04 117.98 106.94 1v8n s PHE 97 Ca -0.19 -0.33 0.01 0.00 -1.04 0.00 0.00 56.93 55.38 1v8n s PHE 97 Cb 0.03 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.44 1v8n s PHE 97 CO 0.28 -0.69 -0.01 -1.54 -1.34 0.00 0.00 175.22 171.93 1v8n s SER 98 N -3.46 0.98 -0.04 1.98 1.04 -1.26 -0.43 113.70 112.52 1v8n s SER 98 Ca 0.23 -1.13 -0.29 0.00 0.48 0.00 0.00 55.95 55.24 1v8n s SER 98 Cb -0.01 0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.32 1v8n s SER 98 CO 0.03 -0.58 0.63 -0.72 0.98 0.00 0.00 173.24 173.58 1v8n s TYR 99 N -3.74 -0.59 -0.23 5.02 1.13 -0.52 -4.97 117.35 113.44 1v8n s TYR 99 Ca 0.20 0.98 -0.20 0.00 -1.41 0.00 0.00 57.07 56.64 1v8n s TYR 99 Cb 0.06 0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 41.27 1v8n s TYR 99 CO 0.01 -0.59 0.60 -0.06 -2.51 0.00 0.00 175.55 172.99 1v8n s PHE 100 N -1.34 3.32 0.40 -3.49 0.40 -1.26 -0.32 117.98 115.70 1v8n s PHE 100 Ca -0.11 0.82 0.11 0.00 -0.60 0.00 0.00 56.93 57.15 1v8n s PHE 100 Cb -0.01 -2.78 0.92 0.00 0.51 0.00 0.00 43.02 41.66 1v8n s PHE 100 CO 0.08 -0.24 1.95 -0.39 0.70 0.00 0.00 175.22 177.32 1v8n h VAL 101 N 5.30 0.92 -0.50 -0.44 -1.51 -1.76 -3.38 116.25 114.87 1v8n h VAL 101 Ca -0.29 -0.19 -0.07 0.00 -1.23 0.00 0.00 66.70 64.92 1v8n h VAL 101 Cb 1.14 0.32 -0.15 0.00 -2.13 0.00 0.00 31.29 30.47 1v8n h VAL 101 CO 0.76 0.10 -0.28 -0.24 -1.23 0.00 0.00 177.57 176.68 1v8n n SER 102 N -4.48 -2.33 0.06 4.19 2.88 -1.26 -5.03 113.62 107.64 1v8n n SER 102 Ca 0.11 -1.88 0.04 0.00 -1.33 0.00 0.00 58.87 55.81 1v8n n SER 102 Cb 0.35 1.19 0.19 0.00 -0.75 0.00 0.00 64.21 65.20 1v8n n SER 102 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v8n n PRO 103 N 2.65 0.05 0.15 -1.46 -0.04 -1.26 -1.74 135.00 133.35 1v8n n PRO 103 Ca 0.14 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 1v8n n PRO 103 Cb 0.61 -1.69 0.48 0.00 -0.04 0.00 0.00 33.50 32.86 1v8n n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1v8n h GLY 104 N 0.00 0.00 0.00 0.55 0.00 -1.97 -3.39 103.07 98.26 1v8n h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8n h GLY 104 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1v8n n PHE 105 N -2.41 0.00 -4.15 5.60 1.16 -0.91 -4.95 117.46 111.80 1v8n n PHE 105 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.48 1v8n n PHE 105 Cb 0.31 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.07 1v8n n PHE 105 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1v8n s THR 106 N 0.00 0.78 -1.97 1.97 -1.32 -0.71 -0.23 115.64 114.15 1v8n s THR 106 Ca 0.00 -1.62 0.22 0.00 -1.21 0.00 0.00 61.69 59.08 1v8n s THR 106 Cb 0.00 -1.30 0.63 0.00 -1.51 0.00 0.00 72.50 70.32 1v8n s THR 106 CO 0.00 -0.62 1.52 -0.90 -2.21 0.00 0.00 174.62 172.41 1v8n n ASP 107 N 0.56 3.82 -4.68 8.08 3.85 -1.15 -4.01 116.55 123.02 1v8n n ASP 107 Ca -0.16 -2.02 -0.44 0.00 -0.71 0.00 0.00 54.79 51.46 1v8n n ASP 107 Cb 0.58 -0.48 -0.04 0.00 -1.35 0.00 0.00 41.12 39.84 1v8n n ASP 107 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1v8n n GLU 108 N 1.56 2.55 -5.09 0.11 2.13 -1.26 -4.83 120.64 115.80 1v8n n GLU 108 Ca 0.24 0.93 -0.32 0.00 0.66 0.00 0.00 57.16 58.66 1v8n n GLU 108 Cb 0.61 -2.80 -0.16 0.00 0.27 0.00 0.00 31.44 29.36 1v8n n GLU 108 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1v8n s LYS 109 N 3.14 2.88 -0.16 5.31 2.20 -1.26 -2.11 119.74 129.74 1v8n s LYS 109 Ca 0.86 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 55.62 1v8n s LYS 109 Cb -0.56 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 1v8n s LYS 109 CO 0.42 0.32 -0.07 0.99 -0.36 0.00 0.00 175.35 176.65 1v8n s THR 110 N 0.02 3.46 -0.28 3.43 2.01 0.56 -0.22 115.64 124.63 1v8n s THR 110 Ca -0.08 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 1v8n s THR 110 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1v8n s THR 110 CO 0.05 0.48 0.15 -1.00 -0.69 0.00 0.00 174.62 173.62 1v8n s HIS 111 N 0.66 3.18 -0.19 4.92 0.09 0.32 -1.44 115.29 122.83 1v8n s HIS 111 Ca -0.04 -0.10 -0.09 0.00 -0.00 0.00 0.00 55.06 54.83 1v8n s HIS 111 Cb -0.15 -2.34 -0.05 0.00 -0.00 0.00 0.00 32.58 30.04 1v8n s HIS 111 CO 0.02 -0.25 0.13 0.08 -0.00 0.00 0.00 174.74 174.73 1v8n s VAL 112 N 1.71 5.42 0.23 -0.90 1.01 0.43 -1.44 120.40 126.85 1v8n s VAL 112 Ca 0.07 0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.34 1v8n s VAL 112 Cb -0.16 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1v8n s VAL 112 CO 0.09 0.47 -0.21 -0.36 0.00 0.00 0.00 175.10 175.09 1v8n s PHE 113 N 0.11 2.17 -0.10 5.22 0.40 -0.09 -0.94 117.98 124.75 1v8n s PHE 113 Ca 0.09 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1v8n s PHE 113 Cb -0.11 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.38 1v8n s PHE 113 CO -0.01 0.55 -0.01 -1.17 0.70 0.00 0.00 175.22 175.28 1v8n s LEU 114 N -3.09 3.46 -0.12 -0.37 2.96 0.29 -0.23 118.68 121.58 1v8n s LEU 114 Ca 0.24 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1v8n s LEU 114 Cb -0.06 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1v8n s LEU 114 CO 0.11 0.32 -0.21 0.00 -1.32 0.00 0.00 176.35 175.26 1v8n s ALA 115 N -0.55 2.30 0.28 5.97 0.00 0.52 -0.91 121.76 129.37 1v8n s ALA 115 Ca 0.09 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1v8n s ALA 115 Cb -0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 1v8n s ALA 115 CO 0.02 0.15 -0.04 -1.21 0.00 0.00 0.00 175.76 174.68 1v8n s GLU 116 N 0.54 1.55 -1.24 0.00 2.02 -0.33 -4.25 118.70 116.98 1v8n s GLU 116 Ca -0.13 -1.79 -0.10 0.00 0.02 0.00 0.00 54.97 52.97 1v8n s GLU 116 Cb -0.17 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.96 1v8n s GLU 116 CO 0.04 0.01 0.68 0.09 0.02 0.00 0.00 175.26 176.10 1v8n n ASN 117 N -0.59 -3.18 -4.76 -0.19 3.02 -1.26 -0.31 115.26 107.99 1v8n n ASN 117 Ca -0.05 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.13 1v8n n ASN 117 Cb 0.64 -3.52 -0.02 0.00 -0.61 0.00 0.00 39.78 36.26 1v8n n ASN 117 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1v8n s LEU 118 N -6.60 4.41 0.01 3.41 1.43 -1.26 -4.42 118.68 115.67 1v8n s LEU 118 Ca 0.25 2.64 0.01 0.00 -1.03 0.00 0.00 54.13 56.00 1v8n s LEU 118 Cb -0.08 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1v8n s LEU 118 CO 0.85 -0.58 -0.04 -1.59 0.23 0.00 0.00 176.35 175.23 1v8n s LYS 119 N -1.13 0.30 -0.16 1.70 -2.85 -0.18 -4.97 119.74 112.45 1v8n s LYS 119 Ca 0.53 -0.28 -0.28 0.00 -1.00 0.00 0.00 55.97 54.93 1v8n s LYS 119 Cb -0.40 -0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.16 1v8n s LYS 119 CO 0.48 0.05 0.98 -2.00 0.10 0.00 0.00 175.35 174.95 1v8n s GLU 120 N -0.51 4.34 -0.00 1.78 2.12 -1.26 -0.90 118.70 124.27 1v8n s GLU 120 Ca -0.03 1.30 0.11 0.00 0.36 0.00 0.00 54.97 56.71 1v8n s GLU 120 Cb -0.04 -3.58 -0.12 0.00 0.26 0.00 0.00 34.13 30.65 1v8n s GLU 120 CO -0.00 -0.42 0.46 1.33 -0.54 0.00 0.00 175.26 176.10 1v8n n VAL 121 N 4.83 0.00 0.00 3.70 0.24 -0.12 -4.96 118.33 122.03 1v8n n VAL 121 Ca 0.09 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1v8n n VAL 121 Cb 0.48 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 1v8n n VAL 121 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1v8n n GLU 122 N -1.29 0.00 0.00 7.34 0.28 -1.13 -5.05 120.64 120.79 1v8n n GLU 122 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1v8n n GLU 122 Cb 0.18 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.05 1v8n n GLU 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1v8n n ILE 131 N -0.01 0.00 -3.22 3.84 2.08 -1.24 -4.55 119.36 116.26 1v8n n ILE 131 Ca 0.00 0.79 -0.39 0.00 0.56 0.00 0.00 62.75 63.71 1v8n n ILE 131 Cb 0.00 -1.69 -0.07 0.00 -0.75 0.00 0.00 39.64 37.14 1v8n n ILE 131 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1v8n s GLU 132 N -1.52 4.19 -0.18 0.38 2.12 -0.21 -4.95 118.70 118.53 1v8n s GLU 132 Ca 0.00 0.45 -0.23 0.00 0.36 0.00 0.00 54.97 55.55 1v8n s GLU 132 Cb 0.00 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1v8n s GLU 132 CO 0.00 -0.17 0.75 0.08 -0.54 0.00 0.00 175.26 175.38 1v8n s VAL 133 N 1.70 4.94 -0.49 3.70 1.01 -1.26 -1.02 120.40 128.98 1v8n s VAL 133 Ca 0.25 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1v8n s VAL 133 Cb -0.15 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.30 1v8n s VAL 133 CO 0.10 0.06 0.26 -0.69 0.00 0.00 0.00 175.10 174.83 1v8n s VAL 134 N 2.03 2.09 -0.07 2.92 1.01 0.14 -4.98 120.40 123.55 1v8n s VAL 134 Ca 0.34 -3.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.00 1v8n s VAL 134 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1v8n s VAL 134 CO 0.12 -0.84 1.18 0.26 0.00 0.00 0.00 175.10 175.81 1v8n s TRP 135 N -0.05 3.22 -0.16 5.22 0.52 -1.26 -1.41 118.94 125.02 1v8n s TRP 135 Ca 0.17 1.26 -0.18 0.00 0.02 0.00 0.00 56.10 57.37 1v8n s TRP 135 Cb -0.25 -3.39 0.05 0.00 -1.15 0.00 0.00 33.47 28.73 1v8n s TRP 135 CO -0.00 -1.18 0.49 1.41 0.02 0.00 0.00 176.95 177.68 1v8n s MET 136 N 2.24 0.62 0.22 4.98 1.75 -0.59 -4.92 119.30 123.59 1v8n s MET 136 Ca 0.55 0.59 -0.31 0.00 -1.25 0.00 0.00 55.69 55.26 1v8n s MET 136 Cb -0.24 0.30 -0.11 0.00 2.84 0.00 0.00 34.83 37.62 1v8n s MET 136 CO 0.21 -0.09 1.57 1.03 -0.65 0.00 0.00 175.02 177.09 1v8n s ARG 137 N 0.04 4.19 0.44 4.11 0.52 -1.26 -0.27 118.95 126.71 1v8n s ARG 137 Ca -0.02 2.44 0.15 0.00 -0.52 0.00 0.00 55.73 57.78 1v8n s ARG 137 Cb -0.03 -3.10 1.06 0.00 0.52 0.00 0.00 34.95 33.40 1v8n s ARG 137 CO 0.02 -0.60 1.96 -1.35 0.02 0.00 0.00 175.30 175.35 1v8n h PRO 138 N 5.98 0.37 -0.64 3.54 0.11 -1.93 0.03 132.00 139.47 1v8n h PRO 138 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1v8n h PRO 138 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1v8n h PRO 138 CO 0.87 0.25 0.28 0.93 -0.21 0.00 0.00 178.00 180.12 1v8n h GLU 139 N 0.39 0.92 -0.10 1.05 3.07 -1.92 -1.11 114.58 116.87 1v8n h GLU 139 Ca 0.30 -0.13 -0.21 0.00 -0.50 0.00 0.00 59.36 58.82 1v8n h GLU 139 Cb 0.67 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1v8n h GLU 139 CO -0.08 0.73 -0.79 0.93 -1.40 0.00 0.00 179.01 178.39 1v8n h GLU 140 N 0.91 0.59 -0.63 2.33 4.39 -1.39 -1.75 114.58 119.03 1v8n h GLU 140 Ca 0.22 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1v8n h GLU 140 Cb 0.13 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1v8n h GLU 140 CO -0.02 1.13 0.33 0.00 -1.16 0.00 0.00 179.01 179.29 1v8n h ALA 141 N 0.72 0.81 -0.45 3.43 0.00 -0.97 0.42 119.26 123.21 1v8n h ALA 141 Ca -0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1v8n h ALA 141 Cb 1.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1v8n h ALA 141 CO 0.15 0.34 0.03 1.25 0.00 0.00 0.00 179.25 181.02 1v8n h LEU 142 N 0.86 0.76 -0.34 0.00 5.85 -1.17 -1.74 115.31 119.54 1v8n h LEU 142 Ca 0.22 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1v8n h LEU 142 Cb 0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1v8n h LEU 142 CO -0.03 0.86 0.18 -0.08 -0.34 0.00 0.00 178.44 179.03 1v8n h GLU 143 N 0.63 0.47 -0.83 1.25 4.81 -0.98 -1.00 114.58 118.94 1v8n h GLU 143 Ca 0.13 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1v8n h GLU 143 Cb 0.46 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1v8n h GLU 143 CO 0.02 0.40 0.49 0.00 -0.73 0.00 0.00 179.01 179.19 1v8n h ARG 144 N 0.42 1.13 -0.40 1.92 3.08 -0.83 -1.41 114.38 118.29 1v8n h ARG 144 Ca 0.12 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1v8n h ARG 144 Cb 0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1v8n h ARG 144 CO -0.02 0.81 0.12 1.25 -1.07 0.00 0.00 179.97 181.06 1v8n h HIS 145 N 1.14 0.64 0.00 3.04 2.76 -1.03 0.41 115.15 122.11 1v8n h HIS 145 Ca 0.30 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1v8n h HIS 145 Cb -0.02 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 1v8n h HIS 145 CO -0.00 0.61 -0.06 1.96 -1.30 0.00 0.00 177.93 179.13 1v8n h GLN 146 N 0.50 0.00 -0.00 5.26 4.20 -0.83 0.96 115.11 125.19 1v8n h GLN 146 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1v8n h GLN 146 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1v8n h GLN 146 CO -0.00 0.06 -0.10 0.54 -0.67 0.00 0.00 178.83 178.66 1v8n n ARG 147 N -4.43 0.64 -1.02 1.46 1.74 -0.56 -4.92 116.66 109.58 1v8n n ARG 147 Ca -0.03 -0.20 -0.01 0.00 -0.77 0.00 0.00 57.85 56.84 1v8n n ARG 147 Cb 0.14 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1v8n n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8n n GLY 148 N 1.28 0.47 0.08 -0.13 0.00 0.33 -4.94 105.19 102.28 1v8n n GLY 148 Ca 0.14 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1v8n n GLY 148 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1v8n h GLU 149 N 0.35 0.00 -3.86 1.61 4.22 -1.14 -3.47 114.58 112.29 1v8n h GLU 149 Ca -0.01 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.28 1v8n h GLU 149 Cb 0.06 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.12 1v8n h GLU 149 CO 0.02 0.82 -0.59 0.54 -2.18 0.00 0.00 179.01 177.61 1v8n s VAL 150 N -2.74 0.13 0.25 0.32 0.11 -1.23 -4.99 120.40 112.26 1v8n s VAL 150 Ca 0.00 -1.05 0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1v8n s VAL 150 Cb 0.09 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1v8n s VAL 150 CO 0.81 -0.58 0.24 -1.61 -3.33 0.00 0.00 175.10 170.63 1v8n s GLU 151 N -2.19 3.06 0.12 1.54 0.41 -1.26 -4.26 118.70 116.12 1v8n s GLU 151 Ca -0.09 -0.98 0.08 0.00 -0.41 0.00 0.00 54.97 53.58 1v8n s GLU 151 Cb -0.04 -2.65 -0.04 0.00 -1.78 0.00 0.00 34.13 29.62 1v8n s GLU 151 CO -0.03 0.40 -0.14 -0.06 -0.49 0.00 0.00 175.26 174.94 1v8n s PHE 152 N -2.10 2.63 0.37 1.61 2.99 -1.26 -0.03 117.98 122.18 1v8n s PHE 152 Ca 0.33 -0.22 0.06 0.00 0.00 0.00 0.00 56.93 57.11 1v8n s PHE 152 Cb -0.08 -1.38 -0.00 0.00 0.00 0.00 0.00 43.02 41.56 1v8n s PHE 152 CO 0.26 0.41 0.51 -1.54 -0.00 0.00 0.00 175.22 174.87 1v8n s SER 153 N -2.22 5.87 0.22 1.36 1.04 -0.94 -4.82 113.70 114.22 1v8n s SER 153 Ca 0.20 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.34 1v8n s SER 153 Cb -0.11 -1.11 0.29 0.00 0.10 0.00 0.00 66.02 65.20 1v8n s SER 153 CO 0.12 -0.54 1.81 0.00 0.98 0.00 0.00 173.24 175.61 1v8n h ALA 154 N 0.78 0.99 -0.77 5.32 0.00 -2.00 -1.62 119.26 121.97 1v8n h ALA 154 Ca -0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1v8n h ALA 154 Cb 1.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1v8n h ALA 154 CO 0.51 0.07 0.39 1.79 0.00 0.00 0.00 179.25 182.01 1v8n h THR 155 N 0.73 1.24 -0.32 0.00 1.35 -1.94 -0.37 112.91 113.59 1v8n h THR 155 Ca 0.33 -0.64 -0.04 0.00 -0.55 0.00 0.00 66.41 65.52 1v8n h THR 155 Cb 0.24 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 1v8n h THR 155 CO -0.21 0.28 0.04 1.23 -0.25 0.00 0.00 175.52 176.61 1v8n h GLY 156 N 1.13 0.59 1.00 5.82 0.00 -1.51 -1.28 103.07 108.81 1v8n h GLY 156 Ca 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1v8n h GLY 156 CO -0.04 0.37 0.10 -2.00 0.00 0.00 0.00 176.54 174.97 1v8n h LEU 157 N 0.37 0.83 -0.79 3.11 5.85 -1.07 -1.38 115.31 122.22 1v8n h LEU 157 Ca 0.10 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1v8n h LEU 157 Cb 0.37 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1v8n h LEU 157 CO 0.01 0.87 0.52 0.58 -0.34 0.00 0.00 178.44 180.07 1v8n h VAL 158 N 0.75 1.21 -0.13 1.05 2.07 -0.96 0.44 116.25 120.68 1v8n h VAL 158 Ca 0.16 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1v8n h VAL 158 Cb 0.38 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1v8n h VAL 158 CO 0.01 0.20 0.08 1.23 0.02 0.00 0.00 177.57 179.11 1v8n h GLY 159 N 1.08 0.18 0.99 2.17 0.00 -0.90 0.94 103.07 107.54 1v8n h GLY 159 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1v8n h GLY 159 CO -0.06 0.07 0.20 -2.08 0.00 0.00 0.00 176.54 174.67 1v8n h VAL 160 N 0.16 1.09 -0.42 4.60 2.07 -0.71 -1.31 116.25 121.74 1v8n h VAL 160 Ca 0.05 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 1v8n h VAL 160 Cb -0.00 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1v8n h VAL 160 CO -0.01 0.09 -0.20 -0.07 0.02 0.00 0.00 177.57 177.40 1v8n h LEU 161 N 0.41 0.85 -0.47 2.57 3.38 -0.79 -2.38 115.31 118.88 1v8n h LEU 161 Ca 0.11 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1v8n h LEU 161 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1v8n h LEU 161 CO -0.02 1.03 0.29 0.22 0.09 0.00 0.00 178.44 180.04 1v8n h TYR 162 N 0.73 0.61 0.03 1.13 3.20 -0.57 -0.73 116.97 121.37 1v8n h TYR 162 Ca 0.10 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1v8n h TYR 162 Cb 0.73 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1v8n h TYR 162 CO 0.04 0.41 -0.12 -0.92 -1.64 0.00 0.00 178.16 175.94 1v8n h TYR 163 N 0.62 -0.30 -0.12 -3.82 3.20 -1.08 0.28 116.97 115.75 1v8n h TYR 163 Ca 0.17 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1v8n h TYR 163 Cb -0.02 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1v8n h TYR 163 CO -0.03 -0.18 -0.00 0.45 -1.64 0.00 0.00 178.16 176.76 1v8n h HIS 164 N -0.21 0.17 0.20 -3.82 3.86 -1.17 -0.29 115.15 113.88 1v8n h HIS 164 Ca 0.03 -0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.95 1v8n h HIS 164 Cb 0.25 -0.05 0.03 0.00 1.06 0.00 0.00 27.41 28.69 1v8n h HIS 164 CO -0.16 0.18 -1.30 0.00 0.86 0.00 0.00 177.93 177.51 1v8n h ALA 165 N 1.84 -0.08 0.00 2.45 0.00 -0.67 -3.44 119.26 119.37 1v8n h ALA 165 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1v8n h ALA 165 Cb 0.12 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1v8n h ALA 165 CO 0.00 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.08 1v8n n PHE 166 N -3.85 0.00 -0.16 0.00 3.01 0.04 -4.86 117.46 111.64 1v8n n PHE 166 Ca -0.18 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.35 1v8n n PHE 166 Cb 1.00 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.64 1v8n n PHE 166 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1v8n n LEU 167 N -0.39 3.05 -0.51 4.37 4.77 -0.13 -5.04 117.00 123.12 1v8n n LEU 167 Ca 0.00 -1.94 0.14 0.00 -0.03 0.00 0.00 56.01 54.18 1v8n n LEU 167 Cb 0.03 -0.26 0.50 0.00 -2.33 0.00 0.00 43.42 41.36 1v8n n LEU 167 CO 0.00 0.75 0.85 0.54 -1.33 0.00 0.00 177.39 178.21