#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8m s THR 12 N 0.00 5.39 -0.05 5.15 -4.23 -0.23 -4.88 115.64 116.79 1v8m s THR 12 Ca 0.00 0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 60.52 1v8m s THR 12 Cb 0.00 -3.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.42 1v8m s THR 12 CO 0.00 0.58 0.42 -0.31 -0.54 0.00 0.00 174.62 174.77 1v8m s TYR 13 N -0.69 3.64 -0.06 3.99 1.51 -1.26 -0.25 117.35 124.22 1v8m s TYR 13 Ca 0.13 0.93 0.18 0.00 -1.01 0.00 0.00 57.07 57.29 1v8m s TYR 13 Cb -0.12 -2.38 -0.27 0.00 -0.11 0.00 0.00 41.96 39.08 1v8m s TYR 13 CO 0.03 0.46 0.32 1.28 -1.11 0.00 0.00 175.55 176.52 1v8m n LEU 14 N 2.57 0.00 -3.64 -1.29 4.77 0.10 -4.98 117.00 114.53 1v8m n LEU 14 Ca -0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.78 1v8m n LEU 14 Cb 0.52 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1v8m n LEU 14 CO 0.39 0.11 0.44 -0.47 -1.33 0.00 0.00 177.39 176.53 1v8m s TYR 15 N -3.07 -0.89 -0.23 -1.77 5.04 -0.97 -4.96 117.35 110.50 1v8m s TYR 15 Ca -0.07 1.87 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 1v8m s TYR 15 Cb 0.10 0.49 0.03 0.00 0.35 0.00 0.00 41.96 42.94 1v8m s TYR 15 CO 0.75 -0.44 -0.12 1.03 -1.34 0.00 0.00 175.55 175.44 1v8m s ARG 16 N 1.22 2.75 0.00 4.97 0.52 -1.26 0.28 118.95 127.42 1v8m s ARG 16 Ca -0.07 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1v8m s ARG 16 Cb -0.05 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1v8m s ARG 16 CO -0.14 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.22 1v8m n GLY 17 N 4.59 7.52 0.25 -3.53 0.00 0.84 -4.99 105.19 109.87 1v8m n GLY 17 Ca -0.17 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 1v8m n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v8m h ARG 18 N 0.00 -0.53 -0.34 1.61 3.08 -2.01 -3.38 114.38 112.82 1v8m h ARG 18 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1v8m h ARG 18 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1v8m h ARG 18 CO 0.00 -0.26 0.00 0.44 -1.07 0.00 0.00 179.97 179.08 1v8m n ILE 19 N -5.15 1.09 -3.53 2.04 -5.35 -1.26 -5.02 119.36 102.18 1v8m n ILE 19 Ca -0.08 -1.06 -0.07 0.00 -0.27 0.00 0.00 62.75 61.27 1v8m n ILE 19 Cb 0.26 0.45 -0.02 0.00 -1.74 0.00 0.00 39.64 38.59 1v8m n ILE 19 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1v8m s LEU 20 N -1.12 -0.31 0.04 7.28 0.05 -1.26 -3.73 118.68 119.64 1v8m s LEU 20 Ca 0.24 -0.00 0.05 0.00 0.05 0.00 0.00 54.13 54.47 1v8m s LEU 20 Cb 0.13 1.87 -0.02 0.00 -2.05 0.00 0.00 46.19 46.12 1v8m s LEU 20 CO 0.15 -0.53 -0.14 0.20 -0.55 0.00 0.00 176.35 175.48 1v8m s ASN 21 N -2.41 1.68 -0.20 1.48 0.01 -0.34 -0.11 114.94 115.05 1v8m s ASN 21 Ca 0.06 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.72 1v8m s ASN 21 Cb -0.01 -0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.52 1v8m s ASN 21 CO -0.08 0.04 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.31 1v8m s LEU 22 N -1.11 3.12 0.23 0.60 2.96 0.14 -0.88 118.68 123.74 1v8m s LEU 22 Ca 0.02 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1v8m s LEU 22 Cb -0.08 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1v8m s LEU 22 CO 0.01 0.05 0.06 0.00 -1.32 0.00 0.00 176.35 175.15 1v8m s ALA 23 N 1.08 1.61 -0.05 5.97 0.00 0.79 0.03 121.76 131.19 1v8m s ALA 23 Ca 0.02 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.24 1v8m s ALA 23 Cb -0.14 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1v8m s ALA 23 CO 0.01 -0.40 -0.15 -0.51 0.00 0.00 0.00 175.76 174.71 1v8m s LEU 24 N -3.27 1.81 -0.41 0.00 1.02 0.65 -0.52 118.68 117.97 1v8m s LEU 24 Ca 0.32 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 54.16 1v8m s LEU 24 Cb 0.07 -0.90 0.13 0.00 0.02 0.00 0.00 46.19 45.50 1v8m s LEU 24 CO 0.10 0.10 0.20 -0.70 0.02 0.00 0.00 176.35 176.07 1v8m s GLU 25 N 0.31 1.17 6.58 1.70 2.12 -0.01 -1.07 118.70 129.52 1v8m s GLU 25 Ca -0.09 -1.80 0.00 0.00 0.36 0.00 0.00 54.97 53.44 1v8m s GLU 25 Cb -0.13 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1v8m s GLU 25 CO 0.03 -1.12 0.00 0.41 -0.54 0.00 0.00 175.26 174.04 1v8m n GLY 26 N 3.84 1.93 0.58 -1.50 0.00 -1.26 -1.64 105.19 107.15 1v8m n GLY 26 Ca 0.06 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1v8m n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v8m n ARG 27 N 3.65 1.07 -3.08 1.61 0.00 -1.26 -4.96 116.66 113.69 1v8m n ARG 27 Ca 0.00 -1.39 -0.40 0.00 -0.00 0.00 0.00 57.85 56.05 1v8m n ARG 27 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 32.46 31.13 1v8m n ARG 27 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1v8m s TYR 28 N -1.19 3.38 -0.23 -0.14 2.02 -0.65 -5.04 117.35 115.50 1v8m s TYR 28 Ca 0.17 0.97 -0.21 0.00 -0.37 0.00 0.00 57.07 57.64 1v8m s TYR 28 Cb 0.12 -2.84 -0.02 0.00 -0.40 0.00 0.00 41.96 38.83 1v8m s TYR 28 CO 0.18 -0.19 0.65 -1.21 -1.57 0.00 0.00 175.55 173.41 1v8m s GLU 29 N 1.99 4.15 -0.05 -0.62 2.02 -1.26 -0.83 118.70 124.10 1v8m s GLU 29 Ca 0.30 0.62 0.06 0.00 0.02 0.00 0.00 54.97 55.97 1v8m s GLU 29 Cb -0.16 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.44 1v8m s GLU 29 CO 0.10 -0.37 -0.24 0.42 0.02 0.00 0.00 175.26 175.20 1v8m s ILE 30 N 2.34 1.92 -0.30 -1.63 1.01 0.33 -4.73 121.20 120.15 1v8m s ILE 30 Ca 0.28 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 1v8m s ILE 30 Cb -0.16 -1.63 0.06 0.00 0.01 0.00 0.00 42.46 40.75 1v8m s ILE 30 CO 0.09 0.54 -0.00 -0.69 0.00 0.00 0.00 174.94 174.87 1v8m s VAL 31 N -0.19 2.78 0.04 2.92 1.01 0.79 -0.15 120.40 127.60 1v8m s VAL 31 Ca -0.02 -1.56 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1v8m s VAL 31 Cb -0.13 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1v8m s VAL 31 CO 0.03 -0.17 0.96 -1.61 0.00 0.00 0.00 175.10 174.30 1v8m s GLU 32 N 1.19 4.61 -0.01 2.72 2.02 -0.06 -3.04 118.70 126.12 1v8m s GLU 32 Ca -0.04 1.41 -0.01 0.00 0.02 0.00 0.00 54.97 56.35 1v8m s GLU 32 Cb -0.20 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1v8m s GLU 32 CO -0.03 0.06 0.02 -1.58 0.02 0.00 0.00 175.26 173.75 1v8m s HIS 33 N 0.61 -0.00 0.69 1.61 2.46 -1.26 -1.19 115.29 118.21 1v8m s HIS 33 Ca 0.49 0.01 -0.17 0.00 0.47 0.00 0.00 55.06 55.87 1v8m s HIS 33 Cb -0.22 -0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.23 1v8m s HIS 33 CO 0.28 -0.03 1.13 1.63 -2.47 0.00 0.00 174.74 175.28 1v8m n LYS 34 N 2.91 0.73 -1.33 2.88 5.02 -1.24 -4.15 118.16 122.97 1v8m n LYS 34 Ca -0.13 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 1v8m n LYS 34 Cb 0.59 -2.37 0.14 0.00 -0.02 0.00 0.00 35.03 33.38 1v8m n LYS 34 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1v8m s PRO 35 N -3.41 1.06 0.26 1.97 0.04 -1.26 -4.54 135.00 129.12 1v8m s PRO 35 Ca 0.77 0.55 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1v8m s PRO 35 Cb -0.36 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1v8m s PRO 35 CO 0.46 -2.31 0.18 0.00 0.04 0.00 0.00 177.00 175.37 1v8m s ALA 36 N -3.07 1.58 0.10 8.56 0.00 0.56 -1.41 121.76 128.08 1v8m s ALA 36 Ca 0.64 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1v8m s ALA 36 Cb -0.17 1.34 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 1v8m s ALA 36 CO 0.56 -0.58 -0.09 0.14 0.00 0.00 0.00 175.76 175.79 1v8m s VAL 37 N -3.81 0.83 -0.03 0.00 -7.23 -0.02 -0.56 120.40 109.59 1v8m s VAL 37 Ca 0.39 -1.74 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1v8m s VAL 37 Cb 0.05 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.55 1v8m s VAL 37 CO 0.18 -0.68 0.13 0.00 -0.31 0.00 0.00 175.10 174.43 1v8m s ALA 38 N -2.86 -0.32 -0.14 1.32 0.00 -0.36 -1.67 121.76 117.73 1v8m s ALA 38 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1v8m s ALA 38 Cb -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1v8m s ALA 38 CO -0.02 -0.13 -0.13 0.08 0.00 0.00 0.00 175.76 175.56 1v8m s VAL 39 N -0.63 1.42 -0.20 0.00 1.01 -0.01 -1.03 120.40 120.97 1v8m s VAL 39 Ca -0.07 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1v8m s VAL 39 Cb -0.04 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1v8m s VAL 39 CO 0.01 0.43 0.49 -0.63 0.00 0.00 0.00 175.10 175.40 1v8m s ILE 40 N 1.50 5.13 -0.07 2.22 1.01 0.37 -4.00 121.20 127.35 1v8m s ILE 40 Ca 0.04 0.89 -0.00 0.00 0.00 0.00 0.00 60.65 61.58 1v8m s ILE 40 Cb -0.13 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1v8m s ILE 40 CO -0.09 0.20 -0.04 0.00 0.00 0.00 0.00 174.94 175.01 1v8m s ALA 41 N 1.51 0.90 -0.05 9.38 0.00 -1.26 -0.55 121.76 131.70 1v8m s ALA 41 Ca 0.23 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1v8m s ALA 41 Cb -0.15 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1v8m s ALA 41 CO 0.09 -0.26 -0.20 -1.17 0.00 0.00 0.00 175.76 174.22 1v8m s LEU 42 N 1.46 2.39 -0.24 0.00 2.96 -1.26 -1.48 118.68 122.52 1v8m s LEU 42 Ca -0.02 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1v8m s LEU 42 Cb -0.13 -1.46 0.10 0.00 0.50 0.00 0.00 46.19 45.20 1v8m s LEU 42 CO -0.04 0.31 0.53 -0.60 -1.32 0.00 0.00 176.35 175.23 1v8m s ARG 43 N -0.53 0.46 -1.43 1.98 3.52 0.03 -4.94 118.95 118.04 1v8m s ARG 43 Ca 0.07 1.20 -0.09 0.00 -0.13 0.00 0.00 55.73 56.78 1v8m s ARG 43 Cb -0.11 0.50 0.05 0.00 -1.56 0.00 0.00 34.95 33.83 1v8m s ARG 43 CO 0.01 -0.22 0.98 0.39 -0.81 0.00 0.00 175.30 175.65 1v8m n GLU 44 N 5.25 -6.05 -0.92 5.12 1.02 -1.26 -1.47 120.64 122.33 1v8m n GLU 44 Ca -0.12 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1v8m n GLU 44 Cb 0.50 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 1v8m n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8m n GLY 45 N -1.71 0.73 3.49 0.62 0.00 -1.26 -5.01 105.19 102.05 1v8m n GLY 45 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1v8m n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v8m s ARG 46 N -0.24 2.48 -0.01 1.61 0.52 -0.54 -4.27 118.95 118.50 1v8m s ARG 46 Ca 0.00 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1v8m s ARG 46 Cb 0.00 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1v8m s ARG 46 CO 0.00 0.62 0.15 1.41 0.02 0.00 0.00 175.30 177.49 1v8m s MET 47 N -0.88 3.32 -0.75 3.54 -2.45 0.48 -0.79 119.30 121.77 1v8m s MET 47 Ca 0.12 -0.36 -0.23 0.00 -1.25 0.00 0.00 55.69 53.97 1v8m s MET 47 Cb -0.11 -3.03 0.06 0.00 1.25 0.00 0.00 34.83 33.01 1v8m s MET 47 CO 0.02 0.67 1.13 -1.17 1.05 0.00 0.00 175.02 176.72 1v8m s LEU 48 N -1.81 4.03 0.37 4.11 0.20 -0.55 -1.14 118.68 123.89 1v8m s LEU 48 Ca 0.25 -1.02 0.02 0.00 0.69 0.00 0.00 54.13 54.07 1v8m s LEU 48 Cb -0.12 -2.47 -0.02 0.00 -0.43 0.00 0.00 46.19 43.15 1v8m s LEU 48 CO 0.16 -1.51 0.56 -0.36 -0.29 0.00 0.00 176.35 174.91 1v8m s PHE 49 N 4.46 3.33 0.05 5.38 0.40 -0.47 -4.25 117.98 126.87 1v8m s PHE 49 Ca 0.30 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1v8m s PHE 49 Cb -0.11 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 1v8m s PHE 49 CO 0.07 -0.04 -0.05 0.14 0.70 0.00 0.00 175.22 176.04 1v8m s VAL 50 N -2.34 0.38 0.02 -0.44 -7.23 0.14 0.17 120.40 111.10 1v8m s VAL 50 Ca 0.43 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 1v8m s VAL 50 Cb -0.10 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.03 1v8m s VAL 50 CO 0.35 -0.59 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.38 1v8m s ARG 51 N -2.24 0.37 0.16 4.82 0.52 -0.23 -0.92 118.95 121.44 1v8m s ARG 51 Ca -0.06 -0.43 -0.19 0.00 -0.52 0.00 0.00 55.73 54.53 1v8m s ARG 51 Cb -0.05 -0.20 0.04 0.00 0.52 0.00 0.00 34.95 35.26 1v8m s ARG 51 CO -0.02 0.04 0.51 1.14 0.02 0.00 0.00 175.30 176.98 1v8m s GLN 52 N -0.86 1.25 0.05 3.54 -2.07 -1.26 -0.35 119.66 119.95 1v8m s GLN 52 Ca -0.06 -0.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.48 1v8m s GLN 52 Cb -0.06 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 32.30 1v8m s GLN 52 CO -0.00 -0.52 1.71 -1.64 -1.32 0.00 0.00 175.29 173.52 1v8m s MET 53 N -3.81 4.18 -0.53 9.60 -1.94 -1.26 -4.29 119.30 121.24 1v8m s MET 53 Ca 0.05 2.37 0.03 0.00 -1.71 0.00 0.00 55.69 56.43 1v8m s MET 53 Cb -0.00 -3.74 0.13 0.00 2.01 0.00 0.00 34.83 33.24 1v8m s MET 53 CO -0.09 -0.79 0.28 1.03 -0.01 0.00 0.00 175.02 175.43 1v8m s ARG 54 N 3.12 2.04 0.39 2.03 1.81 -1.18 -4.98 118.95 122.18 1v8m s ARG 54 Ca 0.76 -2.60 0.17 0.00 -1.72 0.00 0.00 55.73 52.35 1v8m s ARG 54 Cb -0.40 -3.37 1.06 0.00 -0.45 0.00 0.00 34.95 31.79 1v8m s ARG 54 CO 0.33 -1.11 1.80 -1.35 -0.68 0.00 0.00 175.30 174.29 1v8m h PRO 55 N 6.59 0.43 -0.18 3.54 0.11 -1.92 0.05 132.00 140.61 1v8m h PRO 55 Ca -0.07 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1v8m h PRO 55 Cb 0.90 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1v8m h PRO 55 CO 0.69 0.28 0.09 0.00 -0.21 0.00 0.00 178.00 178.85 1v8m h ALA 56 N 1.62 1.83 0.00 -0.75 0.00 -1.94 -3.17 119.26 116.85 1v8m h ALA 56 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1v8m h ALA 56 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1v8m h ALA 56 CO -0.27 0.15 -0.76 1.33 0.00 0.00 0.00 179.25 179.70 1v8m n VAL 57 N -4.48 0.00 -1.27 0.00 0.24 -0.56 -5.02 118.33 107.23 1v8m n VAL 57 Ca -0.00 -0.26 -0.03 0.00 -2.04 0.00 0.00 64.34 62.00 1v8m n VAL 57 Cb 0.10 0.74 -0.01 0.00 -1.47 0.00 0.00 33.84 33.20 1v8m n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v8m n GLY 58 N 1.50 0.56 3.84 7.63 0.00 -0.10 -5.01 105.19 113.60 1v8m n GLY 58 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 1v8m n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v8m s LEU 59 N -0.77 -0.19 -0.53 0.99 0.05 -1.24 -5.01 118.68 111.99 1v8m s LEU 59 Ca 0.00 -0.67 -0.02 0.00 0.05 0.00 0.00 54.13 53.49 1v8m s LEU 59 Cb 0.00 2.64 0.14 0.00 -2.05 0.00 0.00 46.19 46.92 1v8m s LEU 59 CO 0.00 -1.33 0.32 0.00 -0.55 0.00 0.00 176.35 174.80 1v8m s ALA 60 N -3.48 3.38 0.88 1.48 0.00 -1.26 -3.12 121.76 119.64 1v8m s ALA 60 Ca 0.12 -2.96 -0.11 0.00 0.00 0.00 0.00 51.96 49.00 1v8m s ALA 60 Cb -0.05 -2.51 0.12 0.00 0.00 0.00 0.00 23.12 20.68 1v8m s ALA 60 CO 0.07 -1.97 1.09 -1.25 0.00 0.00 0.00 175.76 173.70 1v8m s PRO 61 N 0.41 1.35 -0.30 0.00 0.04 -1.26 -4.80 135.00 130.45 1v8m s PRO 61 Ca 0.13 0.81 -0.27 0.00 0.04 0.00 0.00 61.00 61.71 1v8m s PRO 61 Cb -0.22 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1v8m s PRO 61 CO -0.04 -2.17 0.96 -1.17 0.04 0.00 0.00 177.00 174.62 1v8m s LEU 62 N -6.17 4.02 0.00 -3.56 2.96 0.82 -4.53 118.68 112.21 1v8m s LEU 62 Ca 0.63 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1v8m s LEU 62 Cb -0.18 -3.36 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 1v8m s LEU 62 CO 0.57 -0.73 0.04 -0.62 -1.32 0.00 0.00 176.35 174.28 1v8m n GLU 63 N 6.50 1.04 -4.43 1.98 1.02 -0.09 -2.43 120.64 124.23 1v8m n GLU 63 Ca 0.09 -2.05 -0.22 0.00 -0.02 0.00 0.00 57.16 54.96 1v8m n GLU 63 Cb 0.47 0.80 -0.10 0.00 -0.02 0.00 0.00 31.44 32.59 1v8m n GLU 63 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1v8m s ILE 64 N -2.22 1.93 0.05 -3.67 -4.36 -1.26 0.27 121.20 111.95 1v8m s ILE 64 Ca 0.05 -2.22 -0.38 0.00 -0.26 0.00 0.00 60.65 57.84 1v8m s ILE 64 Cb 0.00 -2.32 -0.17 0.00 1.25 0.00 0.00 42.46 41.22 1v8m s ILE 64 CO 0.04 -0.40 1.31 -2.65 0.24 0.00 0.00 174.94 173.48 1v8m n PRO 65 N -0.56 0.91 -3.51 0.37 -0.02 -1.26 -4.74 135.00 126.19 1v8m n PRO 65 Ca -0.06 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 1v8m n PRO 65 Cb 0.62 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1v8m n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v8m s ALA 66 N 0.55 -1.63 0.01 3.55 0.00 -1.26 -0.83 121.76 122.16 1v8m s ALA 66 Ca 0.87 0.53 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 1v8m s ALA 66 Cb -1.03 0.73 0.10 0.00 0.00 0.00 0.00 23.12 22.93 1v8m s ALA 66 CO 0.50 -0.79 1.25 0.20 0.00 0.00 0.00 175.76 176.91 1v8m s GLY 67 N -2.70 -0.22 0.30 0.00 0.00 -0.67 -4.99 107.32 99.04 1v8m s GLY 67 Ca 0.04 0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.83 1v8m s GLY 67 CO -0.09 2.82 0.78 1.08 0.00 0.00 0.00 173.10 177.70 1v8m s LEU 68 N -3.40 4.18 -0.02 0.66 1.43 -1.26 -0.84 118.68 119.44 1v8m s LEU 68 Ca 0.22 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 1v8m s LEU 68 Cb 0.01 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1v8m s LEU 68 CO -0.01 -0.12 1.16 -0.63 0.23 0.00 0.00 176.35 176.98 1v8m s ILE 69 N -1.79 4.30 0.46 -0.59 1.01 -0.50 -4.87 121.20 119.22 1v8m s ILE 69 Ca 0.50 1.63 -0.08 0.00 0.00 0.00 0.00 60.65 62.71 1v8m s ILE 69 Cb -0.13 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1v8m s ILE 69 CO 0.19 0.06 0.80 -1.61 0.00 0.00 0.00 174.94 174.37 1v8m s GLU 70 N 1.69 3.63 0.20 2.79 0.41 -1.26 -4.77 118.70 121.38 1v8m s GLU 70 Ca 0.56 0.34 -0.32 0.00 -0.41 0.00 0.00 54.97 55.13 1v8m s GLU 70 Cb -0.25 -2.36 -0.14 0.00 -1.78 0.00 0.00 34.13 29.60 1v8m s GLU 70 CO 0.25 -0.17 1.35 -2.30 -0.49 0.00 0.00 175.26 173.90 1v8m n PRO 71 N -1.94 1.72 -0.17 0.39 -0.02 -1.26 -1.29 135.00 132.43 1v8m n PRO 71 Ca 0.02 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1v8m n PRO 71 Cb 0.55 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1v8m n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v8m n GLY 72 N 2.31 1.10 3.79 -1.23 0.00 -1.26 -5.05 105.19 104.85 1v8m n GLY 72 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1v8m n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v8m s GLU 73 N -0.56 2.99 0.41 1.61 2.02 -0.41 -5.11 118.70 119.65 1v8m s GLU 73 Ca 0.00 -0.60 0.08 0.00 0.02 0.00 0.00 54.97 54.47 1v8m s GLU 73 Cb 0.00 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 1v8m s GLU 73 CO 0.00 0.60 0.42 0.16 0.02 0.00 0.00 175.26 176.46 1v8m s ASP 74 N -2.16 5.23 0.21 -0.19 1.47 -1.26 -4.79 116.67 115.18 1v8m s ASP 74 Ca 0.27 -0.64 -0.13 0.00 1.18 0.00 0.00 52.55 53.23 1v8m s ASP 74 Cb -0.12 -0.63 0.24 0.00 -0.34 0.00 0.00 42.92 42.06 1v8m s ASP 74 CO 0.19 -0.65 1.64 -0.65 0.68 0.00 0.00 175.17 176.38 1v8m h PRO 75 N 0.95 0.03 -0.76 2.11 0.11 -1.99 -1.94 132.00 130.50 1v8m h PRO 75 Ca -0.41 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.73 1v8m h PRO 75 Cb 1.27 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1v8m h PRO 75 CO 0.54 0.02 0.48 1.25 -0.21 0.00 0.00 178.00 180.08 1v8m h LEU 76 N 0.03 0.79 -0.52 2.35 5.85 -1.98 -0.08 115.31 121.75 1v8m h LEU 76 Ca 0.30 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 1v8m h LEU 76 Cb 0.46 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1v8m h LEU 76 CO -0.59 0.54 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.66 1v8m h GLU 77 N 0.93 0.95 -0.30 1.25 5.08 -1.83 -1.77 114.58 118.89 1v8m h GLU 77 Ca 0.31 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1v8m h GLU 77 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1v8m h GLU 77 CO -0.12 1.00 -0.21 0.00 -1.00 0.00 0.00 179.01 178.68 1v8m h ALA 78 N 0.92 1.07 -0.51 3.43 0.00 -0.94 -1.52 119.26 121.71 1v8m h ALA 78 Ca 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1v8m h ALA 78 Cb 0.61 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1v8m h ALA 78 CO 0.04 0.57 0.20 0.00 0.00 0.00 0.00 179.25 180.05 1v8m h ALA 79 N 1.27 0.67 -0.56 0.00 0.00 -0.74 0.02 119.26 119.91 1v8m h ALA 79 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1v8m h ALA 79 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1v8m h ALA 79 CO 0.05 0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.79 1v8m h ARG 80 N 0.69 0.85 -0.23 0.00 3.08 -0.97 -2.08 114.38 115.73 1v8m h ARG 80 Ca 0.17 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1v8m h ARG 80 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1v8m h ARG 80 CO -0.01 0.75 0.02 -0.09 -1.07 0.00 0.00 179.97 179.57 1v8m h ARG 81 N 0.77 0.39 -0.65 0.04 2.43 -1.02 -1.37 114.38 114.97 1v8m h ARG 81 Ca 0.18 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1v8m h ARG 81 Cb 0.23 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1v8m h ARG 81 CO -0.01 0.54 0.33 0.93 -1.51 0.00 0.00 179.97 180.26 1v8m h GLU 82 N 0.17 0.92 -0.50 0.20 4.39 -0.93 0.38 114.58 119.22 1v8m h GLU 82 Ca 0.07 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1v8m h GLU 82 Cb 0.36 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1v8m h GLU 82 CO 0.01 0.71 0.20 1.25 -1.16 0.00 0.00 179.01 180.02 1v8m h LEU 83 N 0.89 0.69 -0.04 1.33 5.85 -1.34 0.34 115.31 123.04 1v8m h LEU 83 Ca 0.23 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1v8m h LEU 83 Cb 0.08 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1v8m h LEU 83 CO -0.03 0.67 0.01 0.00 -0.34 0.00 0.00 178.44 178.75 1v8m h ALA 84 N 1.04 0.05 -0.25 1.25 0.00 -0.86 -1.39 119.26 119.11 1v8m h ALA 84 Ca 0.17 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1v8m h ALA 84 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1v8m h ALA 84 CO -0.01 -0.33 -0.35 0.93 0.00 0.00 0.00 179.25 179.49 1v8m h GLU 85 N -0.17 0.54 0.00 0.00 5.08 -0.12 0.56 114.58 120.46 1v8m h GLU 85 Ca 0.01 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 1v8m h GLU 85 Cb 0.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1v8m h GLU 85 CO 0.00 0.81 -1.13 0.93 -1.00 0.00 0.00 179.01 178.62 1v8m h GLU 86 N 0.46 0.00 0.00 2.33 5.08 -0.97 -3.41 114.58 118.07 1v8m h GLU 86 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1v8m h GLU 86 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1v8m h GLU 86 CO 0.07 0.30 0.00 0.25 -1.00 0.00 0.00 179.01 178.63 1v8m n THR 87 N -2.95 0.00 -1.69 1.13 -2.24 -0.54 -4.63 114.28 103.37 1v8m n THR 87 Ca -0.06 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1v8m n THR 87 Cb 0.78 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 1v8m n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v8m n GLY 88 N 0.51 0.64 3.47 3.38 0.00 0.20 -4.99 105.19 108.40 1v8m n GLY 88 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1v8m n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8m s LEU 89 N -2.60 2.61 0.27 0.99 1.43 -1.21 -1.14 118.68 119.03 1v8m s LEU 89 Ca 0.00 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1v8m s LEU 89 Cb 0.00 -1.23 -0.06 0.00 0.03 0.00 0.00 46.19 44.93 1v8m s LEU 89 CO 0.00 0.08 0.04 -0.94 0.23 0.00 0.00 176.35 175.76 1v8m s SER 90 N -3.11 1.91 0.00 2.29 1.04 -0.03 -2.63 113.70 113.17 1v8m s SER 90 Ca 0.26 -1.31 -0.25 0.00 0.48 0.00 0.00 55.95 55.12 1v8m s SER 90 Cb -0.07 0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.14 1v8m s SER 90 CO 0.13 -0.59 1.16 0.61 0.98 0.00 0.00 173.24 175.53 1v8m n GLY 91 N -0.53 0.30 3.54 7.32 0.00 -1.26 -0.94 105.19 113.62 1v8m n GLY 91 Ca -0.03 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1v8m n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v8m s ASP 92 N -3.58 6.38 0.08 1.61 1.01 0.76 -4.84 116.67 118.08 1v8m s ASP 92 Ca 0.27 -0.15 -0.15 0.00 0.71 0.00 0.00 52.55 53.23 1v8m s ASP 92 Cb -0.01 -2.34 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 1v8m s ASP 92 CO 0.00 -0.78 0.50 -0.76 0.21 0.00 0.00 175.17 174.34 1v8m s LEU 93 N 2.95 4.42 -0.07 1.23 1.43 -1.26 -1.65 118.68 125.74 1v8m s LEU 93 Ca 0.26 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1v8m s LEU 93 Cb -0.13 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.15 1v8m s LEU 93 CO 0.19 0.21 -0.08 -0.89 0.23 0.00 0.00 176.35 176.02 1v8m s THR 94 N -1.27 0.87 0.07 5.49 2.01 -0.04 -4.93 115.64 117.84 1v8m s THR 94 Ca 0.31 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 1v8m s THR 94 Cb -0.16 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 1v8m s THR 94 CO 0.17 0.31 1.33 -0.47 -0.69 0.00 0.00 174.62 175.28 1v8m s TYR 95 N 1.13 3.21 -0.17 4.92 5.04 -1.26 -0.34 117.35 129.88 1v8m s TYR 95 Ca -0.07 1.04 -0.15 0.00 -2.44 0.00 0.00 57.07 55.46 1v8m s TYR 95 Cb -0.14 -3.59 -0.07 0.00 0.35 0.00 0.00 41.96 38.51 1v8m s TYR 95 CO -0.01 -2.03 -0.30 1.28 -1.34 0.00 0.00 175.55 173.14 1v8m n LEU 96 N 4.30 1.79 -3.87 6.97 4.77 0.10 -4.92 117.00 126.14 1v8m n LEU 96 Ca 0.11 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1v8m n LEU 96 Cb 0.44 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1v8m n LEU 96 CO 0.58 -0.09 0.99 0.72 -1.33 0.00 0.00 177.39 178.26 1v8m s PHE 97 N -2.68 0.02 0.14 -1.77 -0.71 -1.18 -5.03 117.98 106.77 1v8m s PHE 97 Ca -0.28 -0.22 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 1v8m s PHE 97 Cb 0.06 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 1v8m s PHE 97 CO 0.39 -0.49 0.02 -1.54 -1.34 0.00 0.00 175.22 172.26 1v8m s SER 98 N -3.47 0.79 -0.02 1.98 1.04 -1.26 -0.42 113.70 112.34 1v8m s SER 98 Ca 0.23 -1.16 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 1v8m s SER 98 Cb -0.00 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.37 1v8m s SER 98 CO 0.00 -0.63 0.58 -0.72 0.98 0.00 0.00 173.24 173.46 1v8m s TYR 99 N -3.83 -0.53 -0.20 5.02 1.13 -0.45 -4.97 117.35 113.52 1v8m s TYR 99 Ca 0.22 0.83 -0.20 0.00 -1.41 0.00 0.00 57.07 56.50 1v8m s TYR 99 Cb 0.07 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1v8m s TYR 99 CO 0.01 -0.58 0.61 -0.06 -2.51 0.00 0.00 175.55 173.01 1v8m s PHE 100 N -1.53 3.37 0.29 -3.49 0.40 -1.26 -0.44 117.98 115.32 1v8m s PHE 100 Ca -0.10 0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 1v8m s PHE 100 Cb -0.01 -2.77 0.48 0.00 0.51 0.00 0.00 43.02 41.22 1v8m s PHE 100 CO 0.06 -0.16 1.92 -0.39 0.70 0.00 0.00 175.22 177.35 1v8m h VAL 101 N 5.17 1.11 -0.63 -0.44 -1.51 -1.77 -3.38 116.25 114.80 1v8m h VAL 101 Ca -0.32 -0.37 -0.13 0.00 -1.23 0.00 0.00 66.70 64.65 1v8m h VAL 101 Cb 1.15 -0.08 -0.15 0.00 -2.13 0.00 0.00 31.29 30.07 1v8m h VAL 101 CO 0.77 0.20 -0.40 -0.24 -1.23 0.00 0.00 177.57 176.66 1v8m n SER 102 N -4.47 -2.89 0.07 4.19 2.88 -1.26 -5.02 113.62 107.13 1v8m n SER 102 Ca 0.13 -2.57 0.05 0.00 -1.33 0.00 0.00 58.87 55.15 1v8m n SER 102 Cb 0.15 1.53 0.24 0.00 -0.75 0.00 0.00 64.21 65.38 1v8m n SER 102 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v8m n PRO 103 N 2.58 0.06 0.24 -1.46 -0.04 -1.25 -1.43 135.00 133.69 1v8m n PRO 103 Ca 0.14 0.53 0.16 0.00 -0.04 0.00 0.00 63.50 64.29 1v8m n PRO 103 Cb 0.60 -1.75 0.61 0.00 -0.04 0.00 0.00 33.50 32.91 1v8m n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1v8m h GLY 104 N 0.00 0.00 0.00 0.55 0.00 -1.96 -3.39 103.07 98.27 1v8m h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8m h GLY 104 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1v8m n PHE 105 N -2.87 0.00 -4.26 5.60 1.16 -0.74 -4.96 117.46 111.39 1v8m n PHE 105 Ca 0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.43 1v8m n PHE 105 Cb 0.30 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.07 1v8m n PHE 105 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1v8m s THR 106 N 0.00 1.29 -1.58 1.97 -1.32 -0.51 -0.15 115.64 115.35 1v8m s THR 106 Ca 0.00 -1.93 0.18 0.00 -1.21 0.00 0.00 61.69 58.73 1v8m s THR 106 Cb 0.00 -1.73 0.49 0.00 -1.51 0.00 0.00 72.50 69.76 1v8m s THR 106 CO 0.00 -0.59 1.41 -0.90 -2.21 0.00 0.00 174.62 172.33 1v8m n ASP 107 N 0.09 3.50 -4.68 8.08 3.85 -1.17 -3.88 116.55 122.34 1v8m n ASP 107 Ca -0.12 -1.99 -0.45 0.00 -0.71 0.00 0.00 54.79 51.52 1v8m n ASP 107 Cb 0.59 -0.37 -0.04 0.00 -1.35 0.00 0.00 41.12 39.95 1v8m n ASP 107 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1v8m n GLU 108 N 1.19 2.47 -5.04 0.11 2.13 -1.26 -4.84 120.64 115.40 1v8m n GLU 108 Ca 0.19 0.90 -0.32 0.00 0.66 0.00 0.00 57.16 58.59 1v8m n GLU 108 Cb 0.54 -2.77 -0.15 0.00 0.27 0.00 0.00 31.44 29.33 1v8m n GLU 108 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1v8m s LYS 109 N 3.10 2.93 -0.14 5.31 2.20 -1.26 -2.15 119.74 129.73 1v8m s LYS 109 Ca 0.86 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1v8m s LYS 109 Cb -0.58 -2.38 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 1v8m s LYS 109 CO 0.43 0.32 -0.08 0.99 -0.36 0.00 0.00 175.35 176.65 1v8m s THR 110 N 0.03 3.53 -0.25 3.43 2.01 0.41 -0.33 115.64 124.47 1v8m s THR 110 Ca -0.07 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1v8m s THR 110 Cb -0.15 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1v8m s THR 110 CO 0.05 0.51 0.09 -1.00 -0.69 0.00 0.00 174.62 173.58 1v8m s HIS 111 N 0.35 3.12 -0.16 4.92 0.09 0.27 -1.34 115.29 122.54 1v8m s HIS 111 Ca -0.07 -0.28 -0.08 0.00 -0.00 0.00 0.00 55.06 54.62 1v8m s HIS 111 Cb -0.15 -2.25 -0.04 0.00 -0.00 0.00 0.00 32.58 30.14 1v8m s HIS 111 CO 0.04 -0.28 0.11 0.08 -0.00 0.00 0.00 174.74 174.69 1v8m s VAL 112 N 1.53 5.25 0.20 -0.90 1.01 0.44 -1.23 120.40 126.71 1v8m s VAL 112 Ca 0.06 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.26 1v8m s VAL 112 Cb -0.15 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1v8m s VAL 112 CO 0.05 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.11 1v8m s PHE 113 N -0.14 1.97 -0.11 5.22 0.40 -0.20 -0.72 117.98 124.39 1v8m s PHE 113 Ca 0.09 -0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1v8m s PHE 113 Cb -0.12 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.45 1v8m s PHE 113 CO 0.00 0.45 -0.01 -1.17 0.70 0.00 0.00 175.22 175.19 1v8m s LEU 114 N -3.01 3.44 -0.16 -0.37 2.96 0.54 -0.48 118.68 121.60 1v8m s LEU 114 Ca 0.21 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1v8m s LEU 114 Cb -0.05 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1v8m s LEU 114 CO 0.09 0.29 -0.12 0.00 -1.32 0.00 0.00 176.35 175.29 1v8m s ALA 115 N -0.36 2.63 0.29 5.97 0.00 0.29 -0.86 121.76 129.71 1v8m s ALA 115 Ca 0.07 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1v8m s ALA 115 Cb -0.12 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 1v8m s ALA 115 CO 0.02 0.00 -0.02 -1.21 0.00 0.00 0.00 175.76 174.56 1v8m s GLU 116 N 0.76 1.55 -1.29 0.00 2.02 -0.66 -4.25 118.70 116.82 1v8m s GLU 116 Ca -0.05 -1.81 -0.02 0.00 0.02 0.00 0.00 54.97 53.12 1v8m s GLU 116 Cb -0.15 -1.00 -0.00 0.00 0.10 0.00 0.00 34.13 33.08 1v8m s GLU 116 CO 0.01 -0.05 0.68 0.09 0.02 0.00 0.00 175.26 176.02 1v8m n ASN 117 N -0.59 -1.57 -4.77 -0.19 5.03 -1.26 -0.17 115.26 111.75 1v8m n ASN 117 Ca -0.05 -0.85 -0.41 0.00 0.87 0.00 0.00 54.58 54.14 1v8m n ASN 117 Cb 0.64 -3.93 -0.01 0.00 -1.02 0.00 0.00 39.78 35.46 1v8m n ASN 117 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1v8m s LEU 118 N -6.64 4.33 -0.01 3.41 1.43 -1.26 -4.40 118.68 115.54 1v8m s LEU 118 Ca 0.05 3.03 -0.05 0.00 -1.03 0.00 0.00 54.13 56.13 1v8m s LEU 118 Cb -0.02 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1v8m s LEU 118 CO 0.82 -0.91 0.11 -0.54 0.23 0.00 0.00 176.35 176.05 1v8m s LYS 119 N -1.33 0.38 0.26 1.70 1.02 -0.11 -4.97 119.74 116.68 1v8m s LYS 119 Ca 0.58 -0.31 -0.31 0.00 0.02 0.00 0.00 55.97 55.96 1v8m s LYS 119 Cb -0.48 0.16 -0.11 0.00 -0.52 0.00 0.00 37.83 36.88 1v8m s LYS 119 CO 0.56 -0.08 1.62 -1.21 -0.92 0.00 0.00 175.35 175.32 1v8m s GLU 120 N -1.07 4.14 0.34 1.68 0.41 -1.26 -0.85 118.70 122.09 1v8m s GLU 120 Ca -0.12 2.55 0.12 0.00 -0.41 0.00 0.00 54.97 57.12 1v8m s GLU 120 Cb -0.06 -3.05 0.60 0.00 -1.78 0.00 0.00 34.13 29.84 1v8m s GLU 120 CO 0.01 -0.65 1.75 0.28 -0.49 0.00 0.00 175.26 176.16 1v8m h VAL 121 N 3.56 1.31 -3.74 2.63 2.07 -1.44 -3.45 116.25 117.20 1v8m h VAL 121 Ca -0.45 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 65.43 1v8m h VAL 121 Cb 1.21 1.84 -0.10 0.00 -1.52 0.00 0.00 31.29 32.73 1v8m h VAL 121 CO 0.85 0.44 -0.16 -1.83 0.02 0.00 0.00 177.57 176.89 1v8m s GLU 122 N -3.98 1.52 0.18 1.57 -1.05 -1.26 -5.05 118.70 110.63 1v8m s GLU 122 Ca -0.02 -1.29 -0.24 0.00 -0.15 0.00 0.00 54.97 53.27 1v8m s GLU 122 Cb 0.14 0.45 0.08 0.00 -0.44 0.00 0.00 34.13 34.36 1v8m s GLU 122 CO 0.74 -0.62 1.56 0.00 0.95 0.00 0.00 175.26 177.89 1v8m h ALA 123 N 2.28 -0.22 -2.96 -0.84 0.00 -2.00 -3.28 119.26 112.24 1v8m h ALA 123 Ca -0.27 0.15 -0.61 0.00 0.00 0.00 0.00 54.91 54.18 1v8m h ALA 123 Cb 1.25 0.98 -0.40 0.00 0.00 0.00 0.00 17.79 19.62 1v8m h ALA 123 CO 0.37 -0.78 -0.74 -1.58 0.00 0.00 0.00 179.25 176.52 1v8m s HIS 124 N -5.85 2.05 0.24 0.00 5.65 -1.26 -5.11 115.29 111.01 1v8m s HIS 124 Ca -0.14 -2.49 -0.27 0.00 0.25 0.00 0.00 55.06 52.41 1v8m s HIS 124 Cb 0.15 -1.89 -0.16 0.00 -1.18 0.00 0.00 32.58 29.49 1v8m s HIS 124 CO 0.67 -0.77 0.60 -2.30 -0.65 0.00 0.00 174.74 172.29 1v8m n PRO 125 N 3.40 0.32 -3.05 2.88 -0.02 -1.24 -4.89 135.00 132.39 1v8m n PRO 125 Ca 0.11 0.11 -0.44 0.00 -2.02 0.00 0.00 63.50 61.26 1v8m n PRO 125 Cb 0.35 -1.21 -0.05 0.00 -0.02 0.00 0.00 33.50 32.57 1v8m n PRO 125 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1v8m s ASP 126 N -0.90 6.23 0.52 2.55 -1.08 -1.26 -5.03 116.67 117.70 1v8m s ASP 126 Ca 0.62 -0.92 -0.22 0.00 -0.52 0.00 0.00 52.55 51.52 1v8m s ASP 126 Cb -0.85 -2.34 -0.07 0.00 -1.46 0.00 0.00 42.92 38.21 1v8m s ASP 126 CO 0.57 -1.07 1.16 1.21 0.52 0.00 0.00 175.17 177.57 1v8m n GLU 127 N 6.63 1.43 -3.40 4.34 0.00 -1.26 -4.81 120.64 123.57 1v8m n GLU 127 Ca -0.05 0.53 -0.44 0.00 0.00 0.00 0.00 57.16 57.19 1v8m n GLU 127 Cb 0.45 -2.33 -0.08 0.00 0.00 0.00 0.00 31.44 29.48 1v8m n GLU 127 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1v8m s ASP 128 N -0.92 6.13 0.39 4.31 -1.08 -1.26 -4.97 116.67 119.27 1v8m s ASP 128 Ca 0.70 -1.29 0.11 0.00 -0.52 0.00 0.00 52.55 51.55 1v8m s ASP 128 Cb -0.46 -2.18 0.91 0.00 -1.46 0.00 0.00 42.92 39.74 1v8m s ASP 128 CO 0.51 -0.63 1.91 -0.33 0.52 0.00 0.00 175.17 177.16 1v8m h GLU 129 N 8.74 0.55 0.00 4.34 3.07 -1.96 -2.17 114.58 127.16 1v8m h GLU 129 Ca -0.28 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1v8m h GLU 129 Cb 1.11 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1v8m h GLU 129 CO 0.86 0.37 0.00 0.00 -1.40 0.00 0.00 179.01 178.84 1v8m h ALA 130 N 1.63 1.00 -3.42 3.43 0.00 -1.97 -3.45 119.26 116.48 1v8m h ALA 130 Ca 0.38 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.63 1v8m h ALA 130 Cb 0.68 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.33 1v8m h ALA 130 CO -0.14 0.00 -0.66 0.42 0.00 0.00 0.00 179.25 178.86 1v8m s ILE 131 N -3.34 4.00 -0.23 0.00 1.09 -0.82 -4.42 121.20 117.49 1v8m s ILE 131 Ca 0.05 -0.73 -0.02 0.00 -1.10 0.00 0.00 60.65 58.86 1v8m s ILE 131 Cb 0.09 -2.80 0.02 0.00 -1.06 0.00 0.00 42.46 38.70 1v8m s ILE 131 CO 0.54 0.32 -0.08 -0.70 -0.10 0.00 0.00 174.94 174.92 1v8m s GLU 132 N -1.69 2.97 -0.09 2.79 2.12 0.52 -4.82 118.70 120.50 1v8m s GLU 132 Ca 0.20 -0.88 -0.27 0.00 0.36 0.00 0.00 54.97 54.38 1v8m s GLU 132 Cb -0.11 -2.91 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 1v8m s GLU 132 CO 0.11 -0.32 0.88 0.08 -0.54 0.00 0.00 175.26 175.47 1v8m s VAL 133 N 1.35 4.89 -0.43 3.70 1.01 -1.26 -1.07 120.40 128.58 1v8m s VAL 133 Ca 0.02 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.82 1v8m s VAL 133 Cb -0.15 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.15 1v8m s VAL 133 CO -0.06 0.10 0.22 -0.69 0.00 0.00 0.00 175.10 174.67 1v8m s VAL 134 N 1.59 1.49 -0.05 2.92 1.01 0.13 -4.99 120.40 122.49 1v8m s VAL 134 Ca 0.44 -2.50 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 1v8m s VAL 134 Cb -0.18 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1v8m s VAL 134 CO 0.18 -0.85 1.28 0.26 0.00 0.00 0.00 175.10 175.97 1v8m s TRP 135 N 0.44 3.00 -0.05 5.22 0.52 -1.26 -1.37 118.94 125.45 1v8m s TRP 135 Ca 0.17 1.04 -0.16 0.00 0.02 0.00 0.00 56.10 57.16 1v8m s TRP 135 Cb -0.24 -3.52 0.03 0.00 -1.15 0.00 0.00 33.47 28.59 1v8m s TRP 135 CO -0.02 -1.78 0.36 1.41 0.02 0.00 0.00 176.95 176.93 1v8m s MET 136 N 2.50 0.64 0.21 4.98 1.75 -0.29 -4.89 119.30 124.20 1v8m s MET 136 Ca 0.59 0.02 -0.31 0.00 -1.25 0.00 0.00 55.69 54.73 1v8m s MET 136 Cb -0.26 0.29 -0.11 0.00 2.84 0.00 0.00 34.83 37.59 1v8m s MET 136 CO 0.22 -0.16 1.57 1.03 -0.65 0.00 0.00 175.02 177.04 1v8m s ARG 137 N -0.94 4.19 0.52 4.11 0.52 -1.26 -0.39 118.95 125.70 1v8m s ARG 137 Ca -0.10 2.43 0.18 0.00 -0.52 0.00 0.00 55.73 57.72 1v8m s ARG 137 Cb -0.04 -3.11 1.29 0.00 0.52 0.00 0.00 34.95 33.61 1v8m s ARG 137 CO 0.04 -0.60 2.10 -1.35 0.02 0.00 0.00 175.30 175.51 1v8m h PRO 138 N 6.12 0.03 -0.76 3.54 0.11 -1.93 -0.36 132.00 138.76 1v8m h PRO 138 Ca -0.44 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1v8m h PRO 138 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1v8m h PRO 138 CO 0.87 0.02 0.30 0.93 -0.21 0.00 0.00 178.00 179.92 1v8m h GLU 139 N 0.03 1.13 -0.33 1.05 3.07 -1.92 -1.89 114.58 115.71 1v8m h GLU 139 Ca 0.08 -0.20 -0.12 0.00 -0.50 0.00 0.00 59.36 58.62 1v8m h GLU 139 Cb 0.30 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1v8m h GLU 139 CO -0.00 0.92 -0.25 0.93 -1.40 0.00 0.00 179.01 179.21 1v8m h GLU 140 N 1.09 0.76 -0.20 2.33 4.39 -1.46 -1.07 114.58 120.42 1v8m h GLU 140 Ca 0.25 -0.37 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1v8m h GLU 140 Cb 0.21 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1v8m h GLU 140 CO -0.02 0.99 -0.01 0.00 -1.16 0.00 0.00 179.01 178.80 1v8m h ALA 141 N 0.75 0.16 -0.20 3.43 0.00 -1.16 0.73 119.26 122.97 1v8m h ALA 141 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1v8m h ALA 141 Cb 0.81 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1v8m h ALA 141 CO 0.07 -0.45 0.09 1.25 0.00 0.00 0.00 179.25 180.21 1v8m h LEU 142 N 0.04 0.28 -0.00 0.00 5.85 -1.33 -0.71 115.31 119.44 1v8m h LEU 142 Ca 0.09 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1v8m h LEU 142 Cb 0.12 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1v8m h LEU 142 CO -0.17 0.35 -0.29 -0.08 -0.34 0.00 0.00 178.44 177.92 1v8m h GLU 143 N 0.18 -0.42 -0.87 1.25 4.81 -0.85 0.51 114.58 119.19 1v8m h GLU 143 Ca 0.07 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1v8m h GLU 143 Cb 0.16 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1v8m h GLU 143 CO -0.01 -0.28 0.44 0.00 -0.73 0.00 0.00 179.01 178.44 1v8m h ARG 144 N -0.43 1.24 -0.79 1.92 3.08 -0.80 -2.10 114.38 116.51 1v8m h ARG 144 Ca 0.06 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1v8m h ARG 144 Cb 0.52 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1v8m h ARG 144 CO -0.25 0.94 0.36 1.25 -1.07 0.00 0.00 179.97 181.20 1v8m h HIS 145 N 1.24 1.14 0.00 3.04 2.76 -0.64 -1.08 115.15 121.60 1v8m h HIS 145 Ca 0.30 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1v8m h HIS 145 Cb 0.09 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.69 1v8m h HIS 145 CO 0.01 0.83 -0.04 1.96 -1.30 0.00 0.00 177.93 179.40 1v8m h GLN 146 N 1.12 0.00 -0.02 5.26 4.20 -0.21 -0.21 115.11 125.26 1v8m h GLN 146 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1v8m h GLN 146 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1v8m h GLN 146 CO -0.03 0.04 -0.09 0.54 -0.67 0.00 0.00 178.83 178.62 1v8m n ARG 147 N -3.73 1.65 -0.95 1.46 1.74 -0.69 -4.93 116.66 111.21 1v8m n ARG 147 Ca -0.03 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.93 1v8m n ARG 147 Cb 0.13 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1v8m n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8m n GLY 148 N 1.27 0.42 0.12 -0.13 0.00 -0.09 -4.95 105.19 101.84 1v8m n GLY 148 Ca 0.16 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1v8m n GLY 148 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1v8m h GLU 149 N 0.10 0.00 -3.04 1.61 5.08 -1.42 -3.47 114.58 113.44 1v8m h GLU 149 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1v8m h GLU 149 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1v8m h GLU 149 CO 0.00 0.00 -0.29 0.54 -1.00 0.00 0.00 179.01 178.26 1v8m s VAL 150 N -3.27 0.05 0.20 3.13 0.11 -1.25 -4.96 120.40 114.42 1v8m s VAL 150 Ca 0.03 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1v8m s VAL 150 Cb 0.10 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1v8m s VAL 150 CO 0.74 -0.24 0.30 -1.61 -3.33 0.00 0.00 175.10 170.96 1v8m s GLU 151 N -1.18 3.34 0.09 1.54 0.41 -1.26 -4.35 118.70 117.29 1v8m s GLU 151 Ca -0.12 -0.75 0.09 0.00 -0.41 0.00 0.00 54.97 53.78 1v8m s GLU 151 Cb -0.05 -2.86 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 1v8m s GLU 151 CO 0.04 0.46 -0.21 -0.06 -0.49 0.00 0.00 175.26 175.00 1v8m s PHE 152 N -1.90 2.46 0.32 1.61 2.99 -1.26 -0.13 117.98 122.07 1v8m s PHE 152 Ca 0.34 -0.31 0.06 0.00 0.00 0.00 0.00 56.93 57.02 1v8m s PHE 152 Cb -0.10 -1.36 -0.01 0.00 0.00 0.00 0.00 43.02 41.55 1v8m s PHE 152 CO 0.28 0.30 0.46 -1.54 -0.00 0.00 0.00 175.22 174.72 1v8m s SER 153 N -1.81 6.04 0.23 1.36 1.04 -1.02 -4.82 113.70 114.72 1v8m s SER 153 Ca 0.15 -0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 1v8m s SER 153 Cb -0.10 -1.39 0.35 0.00 0.10 0.00 0.00 66.02 64.98 1v8m s SER 153 CO 0.07 -0.37 1.76 0.00 0.98 0.00 0.00 173.24 175.68 1v8m h ALA 154 N 0.92 0.97 -0.86 5.32 0.00 -2.00 -1.28 119.26 122.33 1v8m h ALA 154 Ca -0.47 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1v8m h ALA 154 Cb 1.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1v8m h ALA 154 CO 0.55 -0.11 0.54 1.79 0.00 0.00 0.00 179.25 182.02 1v8m h THR 155 N 0.53 1.23 -0.32 0.00 1.35 -1.94 0.27 112.91 114.04 1v8m h THR 155 Ca 0.36 -0.49 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1v8m h THR 155 Cb 0.43 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.84 1v8m h THR 155 CO -0.30 0.24 0.10 1.23 -0.25 0.00 0.00 175.52 176.54 1v8m h GLY 156 N 1.18 0.53 1.02 5.82 0.00 -1.45 -1.28 103.07 108.89 1v8m h GLY 156 Ca 0.31 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1v8m h GLY 156 CO -0.06 0.29 0.03 -2.00 0.00 0.00 0.00 176.54 174.80 1v8m h LEU 157 N 0.36 0.90 -0.83 3.11 5.85 -1.00 -1.52 115.31 122.18 1v8m h LEU 157 Ca 0.10 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1v8m h LEU 157 Cb 0.24 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1v8m h LEU 157 CO -0.00 0.97 0.50 0.58 -0.34 0.00 0.00 178.44 180.15 1v8m h VAL 158 N 0.80 1.23 -0.46 1.05 2.07 -0.85 0.65 116.25 120.74 1v8m h VAL 158 Ca 0.16 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1v8m h VAL 158 Cb 0.49 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1v8m h VAL 158 CO 0.02 0.24 0.17 1.23 0.02 0.00 0.00 177.57 179.25 1v8m h GLY 159 N 1.14 0.76 0.94 2.17 0.00 -0.96 0.62 103.07 107.74 1v8m h GLY 159 Ca 0.30 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1v8m h GLY 159 CO -0.06 0.40 0.16 -2.08 0.00 0.00 0.00 176.54 174.96 1v8m h VAL 160 N 0.61 1.17 -0.51 4.60 2.07 -0.84 -1.59 116.25 121.76 1v8m h VAL 160 Ca 0.15 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 1v8m h VAL 160 Cb 0.22 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1v8m h VAL 160 CO -0.01 0.18 -0.16 -0.07 0.02 0.00 0.00 177.57 177.53 1v8m h LEU 161 N 0.42 1.01 -0.68 2.57 3.38 -0.74 -2.47 115.31 118.80 1v8m h LEU 161 Ca 0.12 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1v8m h LEU 161 Cb 0.13 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1v8m h LEU 161 CO -0.01 1.15 0.45 0.22 0.09 0.00 0.00 178.44 180.33 1v8m h TYR 162 N 0.87 0.85 0.23 1.13 3.20 -0.74 -1.35 116.97 121.16 1v8m h TYR 162 Ca 0.13 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1v8m h TYR 162 Cb 0.73 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1v8m h TYR 162 CO 0.05 0.52 -0.30 -0.92 -1.64 0.00 0.00 178.16 175.87 1v8m h TYR 163 N 0.91 -0.80 -0.30 -3.82 3.20 -1.07 -0.33 116.97 114.76 1v8m h TYR 163 Ca 0.26 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.16 1v8m h TYR 163 Cb -0.08 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1v8m h TYR 163 CO -0.03 -0.42 0.20 0.45 -1.64 0.00 0.00 178.16 176.72 1v8m h HIS 164 N -0.58 0.28 0.17 -3.82 3.86 -1.14 0.11 115.15 114.04 1v8m h HIS 164 Ca 0.00 0.01 -0.30 0.00 -1.16 0.00 0.00 60.37 58.92 1v8m h HIS 164 Cb 0.56 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.95 1v8m h HIS 164 CO -0.22 0.17 -1.38 0.00 0.86 0.00 0.00 177.93 177.36 1v8m h ALA 165 N 1.83 0.03 0.00 2.45 0.00 -0.84 -3.43 119.26 119.30 1v8m h ALA 165 Ca 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1v8m h ALA 165 Cb 0.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1v8m h ALA 165 CO -0.03 0.91 0.00 1.19 0.00 0.00 0.00 179.25 181.32 1v8m n PHE 166 N -3.58 0.00 0.32 0.00 3.01 -0.17 -4.90 117.46 112.13 1v8m n PHE 166 Ca -0.13 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.36 1v8m n PHE 166 Cb 1.06 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.52 1v8m n PHE 166 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1v8m n LEU 167 N -0.13 0.92 -4.79 4.37 4.77 0.38 -5.03 117.00 117.48 1v8m n LEU 167 Ca 0.00 -0.73 -0.35 0.00 -0.03 0.00 0.00 56.01 54.91 1v8m n LEU 167 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1v8m n LEU 167 CO 0.00 0.19 0.75 -0.13 -1.33 0.00 0.00 177.39 176.87 1v8m s ARG 168 N -1.18 3.63 0.00 3.23 0.52 -1.17 -5.03 118.95 118.95 1v8m s ARG 168 Ca 0.05 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 1v8m s ARG 168 Cb 0.06 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1v8m s ARG 168 CO 0.19 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.33