#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r n HIS 11 N 0.00 -1.68 0.00 2.97 1.44 -1.26 -3.70 115.22 112.99 1n8r n HIS 11 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1n8r n HIS 11 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1n8r n HIS 11 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1n8r n GLU 12 N -1.13 0.00 -0.30 -1.40 2.13 -1.26 -4.05 120.64 114.62 1n8r n GLU 12 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 1n8r n GLU 12 Cb 0.00 -0.09 0.26 0.00 0.27 0.00 0.00 31.44 31.88 1n8r n GLU 12 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1n8r n MET 13 N 0.00 2.77 0.00 5.31 2.81 -1.24 -4.14 117.12 122.63 1n8r n MET 13 Ca 0.00 -2.44 0.00 0.00 -1.81 0.00 0.00 57.70 53.45 1n8r n MET 13 Cb 0.00 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1n8r n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1n8r n ARG 14 N 1.25 3.69 -2.66 0.03 5.12 -1.25 -4.37 116.66 118.46 1n8r n ARG 14 Ca 0.20 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.70 1n8r n ARG 14 Cb 0.55 -0.63 -0.03 0.00 -1.16 0.00 0.00 32.46 31.19 1n8r n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1n8r s GLU 15 N -1.19 4.52 1.06 5.56 -1.05 -1.26 -4.89 118.70 121.44 1n8r s GLU 15 Ca 0.00 1.46 -0.23 0.00 -0.15 0.00 0.00 54.97 56.05 1n8r s GLU 15 Cb 0.00 -3.46 -0.06 0.00 -0.44 0.00 0.00 34.13 30.17 1n8r s GLU 15 CO 0.00 -0.13 -0.83 -2.30 0.95 0.00 0.00 175.26 172.95 1n8r n PRO 16 N 4.13 -0.74 -3.56 -4.83 -0.02 -1.26 -4.50 135.00 124.22 1n8r n PRO 16 Ca 0.07 -0.21 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 1n8r n PRO 16 Cb 0.50 -1.32 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 1n8r n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1n8r s ARG 17 N -2.67 0.60 -0.19 -0.52 1.70 -0.90 -4.95 118.95 112.02 1n8r s ARG 17 Ca 0.45 0.00 -0.23 0.00 -0.47 0.00 0.00 55.73 55.49 1n8r s ARG 17 Cb -0.00 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1n8r s ARG 17 CO 0.66 -0.22 0.73 0.42 -1.08 0.00 0.00 175.30 175.81 1n8r s ILE 18 N -1.74 4.95 -0.30 4.99 1.01 -1.26 -2.58 121.20 126.27 1n8r s ILE 18 Ca 0.01 1.39 0.03 0.00 0.00 0.00 0.00 60.65 62.09 1n8r s ILE 18 Cb -0.01 -4.03 0.08 0.00 0.01 0.00 0.00 42.46 38.51 1n8r s ILE 18 CO -0.02 0.06 -0.02 -0.70 0.00 0.00 0.00 174.94 174.26 1n8r s GLU 19 N 2.09 1.93 0.55 2.79 2.12 -0.40 -4.63 118.70 123.15 1n8r s GLU 19 Ca 0.33 -1.59 0.00 0.00 0.36 0.00 0.00 54.97 54.07 1n8r s GLU 19 Cb -0.16 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1n8r s GLU 19 CO 0.11 -0.75 0.00 0.36 -0.54 0.00 0.00 175.26 174.44 1n8r n LYS 20 N 4.38 -4.76 -3.82 4.30 2.85 -1.20 -3.92 118.16 115.99 1n8r n LYS 20 Ca -0.06 3.55 -0.27 0.00 -1.05 0.00 0.00 58.31 60.49 1n8r n LYS 20 Cb 0.42 -4.00 -0.17 0.00 -0.65 0.00 0.00 35.03 30.63 1n8r n LYS 20 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1n8r s VAL 21 N -3.51 0.77 -0.27 0.58 1.01 0.13 -2.36 120.40 116.75 1n8r s VAL 21 Ca 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1n8r s VAL 21 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1n8r s VAL 21 CO 0.00 0.06 0.38 -0.69 0.00 0.00 0.00 175.10 174.84 1n8r s VAL 22 N 1.78 5.17 -0.29 2.92 1.01 -0.40 -1.63 120.40 128.96 1n8r s VAL 22 Ca 0.01 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1n8r s VAL 22 Cb -0.15 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1n8r s VAL 22 CO -0.07 0.14 0.04 0.68 0.00 0.00 0.00 175.10 175.88 1n8r s VAL 23 N 2.08 3.50 0.01 2.92 -7.23 -0.46 -0.45 120.40 120.77 1n8r s VAL 23 Ca 0.15 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1n8r s VAL 23 Cb -0.16 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 1n8r s VAL 23 CO 0.10 0.04 -0.05 -2.28 -0.31 0.00 0.00 175.10 172.60 1n8r s HIS 24 N 1.40 0.43 -0.42 2.82 5.04 -0.77 -0.81 115.29 122.98 1n8r s HIS 24 Ca 0.00 -0.22 -0.04 0.00 -1.54 0.00 0.00 55.06 53.27 1n8r s HIS 24 Cb -0.18 -0.27 0.11 0.00 0.04 0.00 0.00 32.58 32.28 1n8r s HIS 24 CO 0.00 -0.04 0.23 -1.64 -2.34 0.00 0.00 174.74 170.95 1n8r s MET 25 N -0.58 2.08 -1.24 2.88 -1.94 -0.43 -1.63 119.30 118.43 1n8r s MET 25 Ca -0.03 -1.82 -0.19 0.00 -1.71 0.00 0.00 55.69 51.95 1n8r s MET 25 Cb -0.04 -3.64 -0.00 0.00 2.01 0.00 0.00 34.83 33.15 1n8r s MET 25 CO -0.00 -1.10 1.89 0.41 -0.01 0.00 0.00 175.02 176.21 1n8r n GLY 26 N 4.64 2.44 0.42 -0.03 0.00 -1.26 -3.39 105.19 108.01 1n8r n GLY 26 Ca -0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 1n8r n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n8r n ILE 27 N 6.54 0.00 -1.73 -0.61 5.41 -1.18 -5.00 119.36 122.79 1n8r n ILE 27 Ca 0.48 -0.09 0.06 0.00 1.00 0.00 0.00 62.75 64.20 1n8r n ILE 27 Cb 0.44 -1.62 0.16 0.00 -0.71 0.00 0.00 39.64 37.92 1n8r n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n8r n GLY 28 N 3.19 4.23 0.00 7.39 0.00 -1.26 -4.61 105.19 114.13 1n8r n GLY 28 Ca 0.02 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1n8r n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1n8r n HIS 29 N -0.82 0.00 -2.99 1.61 -0.00 -1.26 -4.97 115.22 106.79 1n8r n HIS 29 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1n8r n HIS 29 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.76 1n8r n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1n8r n ALA 35 N 0.00 0.00 0.09 1.59 0.00 -1.26 -4.70 120.51 116.23 1n8r n ALA 35 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1n8r n ALA 35 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1n8r n ALA 35 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n8r n ASN 36 N 3.00 0.00 0.25 0.00 6.94 -1.26 -0.33 115.26 123.86 1n8r n ASN 36 Ca 0.00 0.59 0.10 0.00 -0.02 0.00 0.00 54.58 55.25 1n8r n ASN 36 Cb 0.00 -0.11 0.64 0.00 -2.36 0.00 0.00 39.78 37.95 1n8r n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n8r h ALA 37 N 0.22 1.40 -0.58 -2.53 0.00 -2.02 -3.17 119.26 112.57 1n8r h ALA 37 Ca 0.21 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1n8r h ALA 37 Cb 2.34 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 20.00 1n8r h ALA 37 CO -0.00 0.19 -0.11 0.93 0.00 0.00 0.00 179.25 180.26 1n8r h GLU 38 N 0.00 0.02 -0.98 0.00 5.08 -1.11 -2.50 114.58 115.09 1n8r h GLU 38 Ca -0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1n8r h GLU 38 Cb 0.36 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.47 1n8r h GLU 38 CO 0.02 0.02 -0.54 -0.25 -1.00 0.00 0.00 179.01 177.26 1n8r n ASP 39 N -5.37 -0.95 -0.11 1.42 8.00 -1.20 -0.24 116.55 118.09 1n8r n ASP 39 Ca 0.07 1.74 0.01 0.00 0.71 0.00 0.00 54.79 57.31 1n8r n ASP 39 Cb 0.31 -0.26 0.30 0.00 -0.02 0.00 0.00 41.12 41.45 1n8r n ASP 39 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1n8r h ILE 40 N 0.00 1.17 -0.50 0.53 3.07 -1.68 -0.74 117.51 119.36 1n8r h ILE 40 Ca 0.20 -0.39 -0.08 0.00 1.55 0.00 0.00 64.86 66.14 1n8r h ILE 40 Cb 0.44 0.37 -0.02 0.00 -0.27 0.00 0.00 36.82 37.34 1n8r h ILE 40 CO -0.93 0.18 0.00 -0.07 -1.05 0.00 0.00 178.15 176.28 1n8r h LEU 41 N 0.79 0.80 -0.69 0.16 3.38 -0.70 0.11 115.31 119.17 1n8r h LEU 41 Ca 0.21 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n8r h LEU 41 Cb -0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1n8r h LEU 41 CO -0.04 0.86 0.45 1.23 0.09 0.00 0.00 178.44 181.03 1n8r h GLY 42 N 0.98 0.97 1.30 0.83 0.00 0.88 -1.59 103.07 106.45 1n8r h GLY 42 Ca 0.15 -0.35 -0.31 0.00 0.00 0.00 0.00 47.33 46.82 1n8r h GLY 42 CO 0.02 0.33 -1.34 0.83 0.00 0.00 0.00 176.54 176.38 1n8r h GLU 43 N 0.90 0.55 0.00 4.80 5.08 -1.20 0.20 114.58 124.91 1n8r h GLU 43 Ca 0.26 -0.82 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 1n8r h GLU 43 Cb -0.07 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1n8r h GLU 43 CO -0.07 1.38 -0.18 0.97 -1.00 0.00 0.00 179.01 180.11 1n8r h ILE 44 N 0.20 0.88 0.00 3.13 2.10 -0.65 -3.35 117.51 119.82 1n8r h ILE 44 Ca -0.21 -0.67 -0.03 0.00 1.08 0.00 0.00 64.86 65.03 1n8r h ILE 44 Cb 2.02 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 39.13 1n8r h ILE 44 CO 0.25 0.17 -0.82 0.35 -1.08 0.00 0.00 178.15 177.02 1n8r n THR 45 N -3.97 1.37 0.00 2.19 -2.24 -0.61 -4.94 114.28 106.08 1n8r n THR 45 Ca -0.02 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1n8r n THR 45 Cb 0.26 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 1n8r n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8r n GLY 46 N 2.10 0.61 3.22 3.38 0.00 0.06 -4.94 105.19 109.62 1n8r n GLY 46 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1n8r n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n8r s GLN 47 N 0.00 0.71 0.22 1.61 -2.07 -1.22 -5.02 119.66 113.90 1n8r s GLN 47 Ca 0.00 -0.40 -0.29 0.00 -1.82 0.00 0.00 55.36 52.85 1n8r s GLN 47 Cb 0.00 0.31 -0.16 0.00 -1.09 0.00 0.00 33.01 32.07 1n8r s GLN 47 CO 0.00 -0.21 0.82 -1.33 -1.32 0.00 0.00 175.29 173.25 1n8r n MET 48 N 0.92 0.66 -2.42 9.60 2.81 -1.26 -4.53 117.12 122.89 1n8r n MET 48 Ca -0.20 0.23 -0.26 0.00 -1.81 0.00 0.00 57.70 55.66 1n8r n MET 48 Cb 0.58 -1.46 0.03 0.00 -0.71 0.00 0.00 33.22 31.66 1n8r n MET 48 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1n8r s PRO 49 N -1.07 2.82 -0.05 0.03 0.02 -1.26 -4.86 135.00 130.63 1n8r s PRO 49 Ca 0.65 -0.10 0.06 0.00 0.02 0.00 0.00 61.00 61.62 1n8r s PRO 49 Cb -0.85 -2.29 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 1n8r s PRO 49 CO 0.57 -0.74 -0.22 0.08 -0.33 0.00 0.00 177.00 176.36 1n8r s VAL 50 N -2.99 1.83 0.91 3.83 1.01 0.11 -4.91 120.40 120.19 1n8r s VAL 50 Ca 0.54 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1n8r s VAL 50 Cb -0.11 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1n8r s VAL 50 CO 0.44 0.51 0.51 0.54 0.00 0.00 0.00 175.10 177.11 1n8r n ARG 51 N 2.97 -0.19 -3.65 2.72 5.12 -1.26 -1.70 116.66 120.67 1n8r n ARG 51 Ca -0.17 -0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.45 1n8r n ARG 51 Cb 0.52 -1.92 -0.12 0.00 -1.16 0.00 0.00 32.46 29.78 1n8r n ARG 51 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1n8r s THR 52 N -2.33 1.21 1.01 0.55 2.01 0.51 -4.72 115.64 113.88 1n8r s THR 52 Ca 0.60 -2.60 -0.12 0.00 0.31 0.00 0.00 61.69 59.87 1n8r s THR 52 Cb -0.24 -1.84 0.20 0.00 0.01 0.00 0.00 72.50 70.63 1n8r s THR 52 CO 0.65 -0.97 1.08 -0.54 -0.69 0.00 0.00 174.62 174.15 1n8r s LYS 53 N 0.25 0.29 0.20 4.92 1.02 -1.26 -1.67 119.74 123.49 1n8r s LYS 53 Ca 0.20 0.97 0.08 0.00 0.02 0.00 0.00 55.97 57.24 1n8r s LYS 53 Cb -0.18 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 1n8r s LYS 53 CO -0.04 -2.94 -0.14 0.00 -0.92 0.00 0.00 175.35 171.30 1n8r s ALA 54 N -2.69 1.98 0.12 5.17 0.00 -1.18 -4.85 121.76 120.32 1n8r s ALA 54 Ca 0.66 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 51.06 1n8r s ALA 54 Cb -0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1n8r s ALA 54 CO 0.60 0.07 -0.08 0.15 0.00 0.00 0.00 175.76 176.50 1n8r s LYS 55 N -3.59 2.18 0.23 0.00 1.02 -1.26 -4.26 119.74 114.07 1n8r s LYS 55 Ca 0.22 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1n8r s LYS 55 Cb -0.01 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1n8r s LYS 55 CO 0.06 0.49 0.00 0.54 -0.92 0.00 0.00 175.35 175.53 1n8r n ARG 56 N 0.48 -1.77 -3.29 1.68 1.74 -1.26 -4.94 116.66 109.29 1n8r n ARG 56 Ca -0.12 1.35 -0.38 0.00 -0.77 0.00 0.00 57.85 57.93 1n8r n ARG 56 Cb 0.53 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1n8r n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1n8r s THR 57 N -3.78 5.15 0.05 0.55 2.01 -1.26 -4.71 115.64 113.64 1n8r s THR 57 Ca 0.00 0.93 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 1n8r s THR 57 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1n8r s THR 57 CO 0.00 0.25 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.45 1n8r s VAL 58 N 1.17 0.27 0.49 3.82 1.01 0.28 -4.90 120.40 122.54 1n8r s VAL 58 Ca 0.24 -1.50 0.31 0.00 0.00 0.00 0.00 61.98 61.03 1n8r s VAL 58 Cb -0.15 -1.09 0.50 0.00 0.00 0.00 0.00 36.38 35.64 1n8r s VAL 58 CO 0.10 -0.79 1.79 1.23 0.00 0.00 0.00 175.10 177.43 1n8r h GLY 59 N 3.68 0.42 -4.69 4.51 0.00 -1.98 -1.70 103.07 103.31 1n8r h GLY 59 Ca -0.34 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1n8r h GLY 59 CO 0.56 -0.06 0.39 -1.84 0.00 0.00 0.00 176.54 175.60 1n8r n GLU 60 N -4.34 0.98 -2.47 4.80 0.28 -1.26 -4.45 120.64 114.19 1n8r n GLU 60 Ca 0.26 -0.55 -0.05 0.00 -0.16 0.00 0.00 57.16 56.67 1n8r n GLU 60 Cb 1.14 -1.80 -0.01 0.00 1.43 0.00 0.00 31.44 32.20 1n8r n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1n8r n PHE 61 N 2.99 -1.65 -3.56 -1.84 -0.00 -1.19 -4.78 117.46 107.43 1n8r n PHE 61 Ca 0.21 0.07 -0.33 0.00 -0.00 0.00 0.00 57.45 57.41 1n8r n PHE 61 Cb 0.37 -0.96 -0.07 0.00 -0.00 0.00 0.00 39.48 38.81 1n8r n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1n8r n ASP 62 N -1.39 4.09 -0.05 -2.13 2.03 -0.65 -4.75 116.55 113.70 1n8r n ASP 62 Ca 0.01 -3.27 -0.00 0.00 0.52 0.00 0.00 54.79 52.05 1n8r n ASP 62 Cb 0.43 -0.91 -0.15 0.00 -0.72 0.00 0.00 41.12 39.78 1n8r n ASP 62 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1n8r n ILE 63 N 1.69 0.65 -1.74 5.18 -5.35 -1.25 0.10 119.36 118.65 1n8r n ILE 63 Ca 0.24 -0.61 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 1n8r n ILE 63 Cb 0.37 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 37.99 1n8r n ILE 63 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1n8r s ARG 64 N -2.86 4.15 0.00 6.28 3.52 -1.26 -4.27 118.95 124.51 1n8r s ARG 64 Ca -0.08 2.55 0.00 0.00 -0.13 0.00 0.00 55.73 58.07 1n8r s ARG 64 Cb 0.09 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1n8r s ARG 64 CO 0.77 -0.89 0.34 -1.91 -0.81 0.00 0.00 175.30 172.80 1n8r n GLU 65 N 6.65 0.00 -2.29 5.12 2.13 -1.26 -4.48 120.64 126.51 1n8r n GLU 65 Ca 0.18 0.14 -0.43 0.00 0.66 0.00 0.00 57.16 57.71 1n8r n GLU 65 Cb 0.40 -0.90 -0.02 0.00 0.27 0.00 0.00 31.44 31.18 1n8r n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1n8r s GLY 66 N -0.74 1.44 -0.30 8.31 0.00 -1.26 -3.11 107.32 111.67 1n8r s GLY 66 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.97 1n8r s GLY 66 CO 0.00 2.73 1.06 0.51 0.00 0.00 0.00 173.10 177.40 1n8r s ASP 67 N 2.99 -0.41 -0.02 1.64 1.47 -1.26 -4.95 116.67 116.13 1n8r s ASP 67 Ca 0.62 0.61 -0.33 0.00 1.18 0.00 0.00 52.55 54.63 1n8r s ASP 67 Cb -0.22 1.34 -0.11 0.00 -0.34 0.00 0.00 42.92 43.58 1n8r s ASP 67 CO 0.23 -0.09 1.87 -2.65 0.68 0.00 0.00 175.17 175.21 1n8r n PRO 68 N 4.22 2.40 -1.39 2.11 -0.02 -1.26 -3.55 135.00 137.50 1n8r n PRO 68 Ca -0.13 0.88 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1n8r n PRO 68 Cb 0.55 -2.75 0.01 0.00 -0.02 0.00 0.00 33.50 31.30 1n8r n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1n8r n ILE 69 N 5.05 0.00 0.00 4.25 5.41 -0.67 -4.25 119.36 129.15 1n8r n ILE 69 Ca 0.21 -0.84 0.00 0.00 1.00 0.00 0.00 62.75 63.12 1n8r n ILE 69 Cb 0.33 0.92 0.00 0.00 -0.71 0.00 0.00 39.64 40.17 1n8r n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n8r n GLY 70 N 0.42 3.36 3.21 7.39 0.00 -1.25 -3.08 105.19 115.24 1n8r n GLY 70 Ca 0.03 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1n8r n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r s ALA 71 N -2.00 1.17 0.20 4.61 0.00 -1.22 0.19 121.76 124.71 1n8r s ALA 71 Ca 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.32 1n8r s ALA 71 Cb 0.00 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1n8r s ALA 71 CO 0.00 -0.44 0.25 -1.59 0.00 0.00 0.00 175.76 173.98 1n8r s LYS 72 N -4.02 1.28 -0.18 0.00 -2.85 -0.69 -1.31 119.74 111.97 1n8r s LYS 72 Ca 0.28 -1.45 -0.06 0.00 -1.00 0.00 0.00 55.97 53.73 1n8r s LYS 72 Cb 0.07 0.34 0.09 0.00 -2.06 0.00 0.00 37.83 36.27 1n8r s LYS 72 CO 0.05 -0.46 0.38 0.08 0.10 0.00 0.00 175.35 175.50 1n8r s VAL 73 N -4.09 -0.60 -0.33 1.79 1.01 0.01 -0.72 120.40 117.48 1n8r s VAL 73 Ca 0.30 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 1n8r s VAL 73 Cb 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1n8r s VAL 73 CO 0.09 0.08 0.32 0.42 0.00 0.00 0.00 175.10 176.01 1n8r s THR 74 N 2.57 5.21 -0.11 3.92 -4.23 -1.26 -1.36 115.64 120.38 1n8r s THR 74 Ca -0.01 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1n8r s THR 74 Cb -0.12 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 1n8r s THR 74 CO -0.12 -0.02 0.02 -0.76 -0.54 0.00 0.00 174.62 173.19 1n8r s LEU 75 N 1.92 3.64 0.04 4.79 1.43 -0.64 -4.89 118.68 124.97 1n8r s LEU 75 Ca 0.10 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1n8r s LEU 75 Cb -0.17 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1n8r s LEU 75 CO 0.11 0.32 -0.13 -0.13 0.23 0.00 0.00 176.35 176.75 1n8r s ARG 76 N -0.52 0.85 6.46 1.70 0.52 -1.26 -0.69 118.95 126.01 1n8r s ARG 76 Ca 0.09 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1n8r s ARG 76 Cb -0.12 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.52 1n8r s ARG 76 CO 0.02 0.20 0.00 -0.25 0.02 0.00 0.00 175.30 175.29 1n8r n ASP 77 N 1.81 0.00 -0.19 0.23 8.00 -1.26 -3.35 116.55 121.79 1n8r n ASP 77 Ca -0.19 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.24 1n8r n ASP 77 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1n8r n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1n8r h GLU 78 N 0.00 0.75 -0.89 -1.24 5.08 -1.98 -1.78 114.58 114.52 1n8r h GLU 78 Ca 0.00 -0.08 0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1n8r h GLU 78 Cb 0.00 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1n8r h GLU 78 CO 0.00 0.57 0.64 0.52 -1.00 0.00 0.00 179.01 179.75 1n8r h MET 79 N 0.73 0.00 0.23 2.33 2.86 -1.95 0.23 114.93 119.37 1n8r h MET 79 Ca 0.19 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.49 1n8r h MET 79 Cb 0.03 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.72 1n8r h MET 79 CO -0.03 0.00 -1.55 0.00 1.06 0.00 0.00 176.91 176.39 1n8r h ALA 80 N 1.55 -0.07 0.50 6.32 0.00 -1.46 -3.15 119.26 122.95 1n8r h ALA 80 Ca 0.42 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1n8r h ALA 80 Cb 1.71 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1n8r h ALA 80 CO -0.00 0.79 -0.24 0.93 0.00 0.00 0.00 179.25 180.73 1n8r h GLU 81 N 0.14 -0.64 0.00 0.00 5.08 -0.66 -1.06 114.58 117.43 1n8r h GLU 81 Ca -0.28 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1n8r h GLU 81 Cb 2.15 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.55 1n8r h GLU 81 CO 0.25 -0.43 0.60 0.93 -1.00 0.00 0.00 179.01 179.36 1n8r h GLU 82 N -1.13 0.00 0.04 2.33 5.08 -0.79 0.71 114.58 120.82 1n8r h GLU 82 Ca -0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 1n8r h GLU 82 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1n8r h GLU 82 CO 0.11 0.00 -1.62 0.34 -1.00 0.00 0.00 179.01 176.84 1n8r n PHE 83 N -2.46 0.97 0.30 4.33 7.35 -1.12 -4.12 117.46 122.71 1n8r n PHE 83 Ca -0.01 0.34 0.19 0.00 -0.76 0.00 0.00 57.45 57.21 1n8r n PHE 83 Cb 0.62 -1.11 0.91 0.00 0.35 0.00 0.00 39.48 40.25 1n8r n PHE 83 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1n8r h LEU 84 N -0.67 0.00 -0.56 -2.13 3.38 0.16 -1.36 115.31 114.12 1n8r h LEU 84 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1n8r h LEU 84 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1n8r h LEU 84 CO -0.14 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.40 1n8r n GLN 85 N -3.13 0.57 0.00 1.13 6.02 0.12 -1.97 117.38 120.12 1n8r n GLN 85 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1n8r n GLN 85 Cb 0.21 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1n8r n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1n8r n THR 86 N -0.10 0.00 0.22 5.09 -2.24 -0.95 -4.89 114.28 111.42 1n8r n THR 86 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1n8r n THR 86 Cb 0.08 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1n8r n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n8r h ALA 87 N 0.00 -0.78 -0.79 6.98 0.00 -0.93 -3.15 119.26 120.59 1n8r h ALA 87 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1n8r h ALA 87 Cb 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 1n8r h ALA 87 CO 0.00 -0.73 -0.38 -0.07 0.00 0.00 0.00 179.25 178.07 1n8r h LEU 88 N -0.88 -1.35 -1.99 0.00 3.38 -1.67 0.35 115.31 113.15 1n8r h LEU 88 Ca -0.06 0.27 0.29 0.00 0.09 0.00 0.00 57.88 58.47 1n8r h LEU 88 Cb 0.46 0.68 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1n8r h LEU 88 CO 0.10 -0.30 0.73 -0.65 0.09 0.00 0.00 178.44 178.41 1n8r h PRO 89 N -0.09 0.01 -0.18 1.13 0.11 -1.76 0.60 132.00 131.81 1n8r h PRO 89 Ca 0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1n8r h PRO 89 Cb 0.57 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1n8r h PRO 89 CO -0.83 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.24 1n8r n LEU 90 N -4.24 1.08 -4.27 2.35 4.77 0.12 -4.80 117.00 112.01 1n8r n LEU 90 Ca 0.21 -0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 55.48 1n8r n LEU 90 Cb 1.07 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.93 1n8r n LEU 90 CO 0.39 0.26 -0.46 0.00 -1.33 0.00 0.00 177.39 176.25 1n8r s ALA 91 N -1.76 1.65 0.05 -1.18 0.00 0.21 -4.98 121.76 115.75 1n8r s ALA 91 Ca 0.18 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1n8r s ALA 91 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1n8r s ALA 91 CO 0.13 0.16 -0.06 0.39 0.00 0.00 0.00 175.76 176.38 1n8r n GLU 92 N 0.52 0.09 -0.36 0.00 1.02 -1.26 -4.94 120.64 115.71 1n8r n GLU 92 Ca -0.15 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.89 1n8r n GLU 92 Cb 0.57 -0.66 0.01 0.00 -0.02 0.00 0.00 31.44 31.34 1n8r n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1n8r n LEU 93 N -3.66 -1.76 0.00 -4.62 4.77 -1.26 -4.90 117.00 105.57 1n8r n LEU 93 Ca -0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1n8r n LEU 93 Cb 0.10 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1n8r n LEU 93 CO 0.04 -1.69 0.00 0.00 -1.33 0.00 0.00 177.39 174.41 1n8r n ALA 94 N -1.05 0.00 -1.22 -1.18 0.00 -1.23 -4.83 120.51 111.00 1n8r n ALA 94 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1n8r n ALA 94 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 1n8r n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n8r n THR 95 N -0.08 -1.23 0.00 0.00 -2.24 -1.26 -4.26 114.28 105.22 1n8r n THR 95 Ca 0.00 0.69 0.00 0.00 -2.27 0.00 0.00 64.05 62.47 1n8r n THR 95 Cb 0.00 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1n8r n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n8r n SER 96 N -2.73 0.00 -0.56 3.42 3.41 -1.26 -4.19 113.62 111.72 1n8r n SER 96 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1n8r n SER 96 Cb 0.28 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1n8r n SER 96 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1n8r n GLN 97 N 0.00 1.38 -4.20 4.33 7.27 -1.26 -4.82 117.38 120.09 1n8r n GLN 97 Ca 0.00 -0.34 -0.29 0.00 0.07 0.00 0.00 57.00 56.45 1n8r n GLN 97 Cb 0.00 -1.48 -0.09 0.00 2.41 0.00 0.00 30.24 31.08 1n8r n GLN 97 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1n8r s PHE 98 N -1.33 2.83 1.04 3.69 0.40 -1.26 -4.10 117.98 119.24 1n8r s PHE 98 Ca 0.06 -0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.14 1n8r s PHE 98 Cb 0.04 -1.44 0.21 0.00 0.51 0.00 0.00 43.02 42.35 1n8r s PHE 98 CO 0.02 0.47 1.09 0.34 0.70 0.00 0.00 175.22 177.85 1n8r s ASP 99 N -2.49 2.31 0.00 1.36 2.15 0.57 -4.90 116.67 115.68 1n8r s ASP 99 Ca 0.24 1.11 0.26 0.00 0.43 0.00 0.00 52.55 54.59 1n8r s ASP 99 Cb -0.11 -1.73 0.59 0.00 -0.30 0.00 0.00 42.92 41.38 1n8r s ASP 99 CO 0.16 -3.32 1.47 0.47 -0.17 0.00 0.00 175.17 173.78 1n8r n ASP 100 N -4.29 0.74 -0.72 -0.34 9.92 -1.26 -3.38 116.55 117.22 1n8r n ASP 100 Ca 0.06 -0.55 0.07 0.00 -0.53 0.00 0.00 54.79 53.84 1n8r n ASP 100 Cb 0.58 0.22 0.16 0.00 -0.64 0.00 0.00 41.12 41.44 1n8r n ASP 100 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1n8r n THR 101 N -1.13 0.86 -1.43 -3.53 -1.04 -1.26 -4.34 114.28 102.40 1n8r n THR 101 Ca 0.08 -0.93 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 1n8r n THR 101 Cb 0.34 0.61 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 1n8r n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n8r n GLY 102 N 0.70 0.82 3.84 3.41 0.00 -1.14 -4.22 105.19 108.61 1n8r n GLY 102 Ca 0.13 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1n8r n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n8r s ASN 103 N -2.72 4.59 -0.25 1.61 0.02 -1.26 -4.22 114.94 112.70 1n8r s ASN 103 Ca 0.00 -1.17 -0.26 0.00 -1.02 0.00 0.00 52.86 50.40 1n8r s ASN 103 Cb 0.00 0.06 0.13 0.00 0.02 0.00 0.00 41.25 41.45 1n8r s ASN 103 CO 0.00 -0.87 1.04 0.72 0.02 0.00 0.00 177.10 178.00 1n8r s PHE 104 N -2.70 -0.43 -0.04 2.20 -0.12 -1.17 0.21 117.98 115.94 1n8r s PHE 104 Ca 0.35 0.97 0.05 0.00 -0.05 0.00 0.00 56.93 58.25 1n8r s PHE 104 Cb -0.00 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1n8r s PHE 104 CO 0.21 -0.25 -0.19 0.45 -0.05 0.00 0.00 175.22 175.38 1n8r s SER 105 N -0.16 2.34 0.06 1.98 0.15 -1.26 -1.71 113.70 115.10 1n8r s SER 105 Ca 0.02 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 1n8r s SER 105 Cb -0.04 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 1n8r s SER 105 CO -0.04 0.19 -0.01 0.72 1.20 0.00 0.00 173.24 175.29 1n8r s PHE 106 N -0.09 0.56 0.00 3.44 -0.71 -0.69 -4.99 117.98 115.49 1n8r s PHE 106 Ca -0.01 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 54.79 1n8r s PHE 106 Cb -0.11 -0.40 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 1n8r s PHE 106 CO 0.02 -0.40 0.00 0.41 -1.34 0.00 0.00 175.22 173.91 1n8r n GLY 107 N 0.08 0.37 0.14 1.99 0.00 -1.26 -2.05 105.19 104.45 1n8r n GLY 107 Ca -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1n8r n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n8r n LEU 128 N 0.00 0.00 -4.91 0.99 0.00 -1.26 -4.91 117.00 106.91 1n8r n LEU 128 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 56.01 55.80 1n8r n LEU 128 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 43.42 43.24 1n8r n LEU 128 CO 0.00 -0.05 -0.16 -1.81 0.00 0.00 0.00 177.39 175.38 1n8r s ASP 129 N 0.00 6.27 -0.19 1.96 1.01 -0.65 -4.99 116.67 120.08 1n8r s ASP 129 Ca 0.00 0.23 -0.04 0.00 0.71 0.00 0.00 52.55 53.45 1n8r s ASP 129 Cb 0.00 -1.90 0.08 0.00 1.01 0.00 0.00 42.92 42.10 1n8r s ASP 129 CO 0.00 0.16 0.16 -0.69 0.21 0.00 0.00 175.17 175.01 1n8r s VAL 130 N -1.52 -0.21 0.03 -1.27 1.01 -0.87 -1.85 120.40 115.73 1n8r s VAL 130 Ca 0.34 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1n8r s VAL 130 Cb -0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1n8r s VAL 130 CO 0.27 -0.26 -0.00 -0.89 0.00 0.00 0.00 175.10 174.22 1n8r s THR 131 N 2.23 4.08 -0.18 3.92 2.01 0.40 -1.70 115.64 126.40 1n8r s THR 131 Ca 0.05 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1n8r s THR 131 Cb -0.16 -2.86 0.04 0.00 0.01 0.00 0.00 72.50 69.52 1n8r s THR 131 CO -0.11 0.28 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.29 1n8r s VAL 132 N -1.17 1.58 -0.25 3.82 1.01 -0.69 -1.27 120.40 123.44 1n8r s VAL 132 Ca 0.22 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1n8r s VAL 132 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1n8r s VAL 132 CO 0.13 0.27 0.34 0.21 0.00 0.00 0.00 175.10 176.06 1n8r s ASN 133 N 1.44 6.28 -0.00 3.32 3.04 -0.99 -3.06 114.94 124.96 1n8r s ASN 133 Ca 0.01 0.32 0.07 0.00 0.04 0.00 0.00 52.86 53.30 1n8r s ASN 133 Cb -0.15 -2.20 -0.02 0.00 -1.54 0.00 0.00 41.25 37.34 1n8r s ASN 133 CO -0.09 -0.11 -0.22 -0.76 -3.04 0.00 0.00 177.10 172.87 1n8r s LEU 134 N 1.69 2.31 0.26 3.21 1.43 -1.26 -1.27 118.68 125.05 1n8r s LEU 134 Ca 0.15 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1n8r s LEU 134 Cb -0.15 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1n8r s LEU 134 CO 0.09 0.30 0.84 0.54 0.23 0.00 0.00 176.35 178.35 1n8r s VAL 135 N -0.73 0.00 0.09 -1.59 0.11 -1.06 -4.79 120.40 112.43 1n8r s VAL 135 Ca 0.11 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1n8r s VAL 135 Cb -0.10 -2.33 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 1n8r s VAL 135 CO 0.01 0.00 0.23 0.00 -3.33 0.00 0.00 175.10 172.01 1n8r s ARG 136 N -3.13 3.39 0.00 1.54 1.70 -1.26 -2.13 118.95 119.07 1n8r s ARG 136 Ca 0.14 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1n8r s ARG 136 Cb -0.04 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.35 1n8r s ARG 136 CO 0.07 0.57 0.00 -2.30 -1.08 0.00 0.00 175.30 172.56 1n8r n PRO 137 N -0.01 0.00 -0.85 3.89 -0.02 -1.26 -2.45 135.00 134.30 1n8r n PRO 137 Ca -0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.25 1n8r n PRO 137 Cb 0.52 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.07 1n8r n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8r n GLY 138 N -0.91 3.98 0.17 -1.23 0.00 -1.26 -4.51 105.19 101.42 1n8r n GLY 138 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 1n8r n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n8r h TYR 139 N 1.11 0.20 -0.84 1.61 3.20 -1.89 -3.16 116.97 117.20 1n8r h TYR 139 Ca 0.36 -0.07 0.24 0.00 3.14 0.00 0.00 58.73 62.40 1n8r h TYR 139 Cb 1.44 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 1n8r h TYR 139 CO 0.92 0.69 0.62 -0.09 -1.64 0.00 0.00 178.16 178.66 1n8r h ARG 140 N 0.12 0.00 -0.73 1.82 2.43 -1.90 0.12 114.38 116.25 1n8r h ARG 140 Ca -0.00 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.38 1n8r h ARG 140 Cb 1.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1n8r h ARG 140 CO 0.08 0.00 0.56 0.28 -1.51 0.00 0.00 179.97 179.38 1n8r h VAL 141 N 0.00 0.55 -0.01 0.20 2.07 -1.87 0.21 116.25 117.39 1n8r h VAL 141 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1n8r h VAL 141 Cb 1.64 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1n8r h VAL 141 CO -0.00 0.00 -0.61 0.00 0.02 0.00 0.00 177.57 176.97 1n8r n ALA 142 N -2.62 3.87 0.20 1.67 0.00 0.02 -0.32 120.51 123.33 1n8r n ALA 142 Ca 0.15 -0.61 0.05 0.00 0.00 0.00 0.00 53.44 53.02 1n8r n ALA 142 Cb 0.83 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 1n8r n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8r n LYS 143 N -0.50 1.79 -1.35 0.00 4.76 0.53 -4.76 118.16 118.63 1n8r n LYS 143 Ca 0.07 -0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 55.17 1n8r n LYS 143 Cb 0.41 -1.12 0.23 0.00 -1.84 0.00 0.00 35.03 32.70 1n8r n LYS 143 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1n8r n ARG 144 N -1.59 -2.39 -0.08 1.97 1.85 -0.01 -5.04 116.66 111.37 1n8r n ARG 144 Ca -0.00 -1.83 -0.08 0.00 -1.00 0.00 0.00 57.85 54.94 1n8r n ARG 144 Cb 0.22 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 1n8r n ARG 144 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1n8r n ASP 145 N -4.45 1.83 -4.77 2.89 10.43 -1.26 -4.66 116.55 116.57 1n8r n ASP 145 Ca 0.15 0.57 -0.39 0.00 2.57 0.00 0.00 54.79 57.69 1n8r n ASP 145 Cb 0.57 -0.87 -0.04 0.00 1.84 0.00 0.00 41.12 42.62 1n8r n ASP 145 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1n8r s LYS 146 N -2.33 4.39 -0.13 -1.24 1.02 -1.26 -3.80 119.74 116.39 1n8r s LYS 146 Ca -0.19 1.77 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1n8r s LYS 146 Cb 0.03 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1n8r s LYS 146 CO 0.30 -0.01 0.00 0.00 -0.92 0.00 0.00 175.35 174.72 1n8r n ALA 147 N 0.64 -0.67 -0.92 5.17 0.00 -1.26 -4.87 120.51 118.61 1n8r n ALA 147 Ca 0.01 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 1n8r n ALA 147 Cb 0.46 -0.53 0.10 0.00 0.00 0.00 0.00 19.45 19.47 1n8r n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n8r n SER 148 N -0.77 -2.44 -3.66 0.00 3.41 -1.25 -5.02 113.62 103.90 1n8r n SER 148 Ca -0.02 0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1n8r n SER 148 Cb 0.36 -1.15 -0.08 0.00 -0.26 0.00 0.00 64.21 63.08 1n8r n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1n8r s ARG 149 N -3.23 0.74 0.38 4.33 3.52 0.57 -4.98 118.95 120.27 1n8r s ARG 149 Ca 0.56 0.68 -0.26 0.00 -0.13 0.00 0.00 55.73 56.58 1n8r s ARG 149 Cb -0.24 0.36 -0.09 0.00 -1.56 0.00 0.00 34.95 33.42 1n8r s ARG 149 CO 0.68 -0.12 1.22 0.45 -0.81 0.00 0.00 175.30 176.71 1n8r s SER 150 N 0.01 6.60 0.18 -2.12 0.15 -1.26 -3.23 113.70 114.02 1n8r s SER 150 Ca -0.02 2.47 -0.30 0.00 0.70 0.00 0.00 55.95 58.80 1n8r s SER 150 Cb -0.04 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.57 1n8r s SER 150 CO 0.02 -0.63 1.19 -0.63 1.20 0.00 0.00 173.24 174.39 1n8r s ILE 151 N -1.30 3.62 0.33 6.45 -1.09 -1.26 -4.98 121.20 122.96 1n8r s ILE 151 Ca 0.54 1.35 -0.29 0.00 -2.23 0.00 0.00 60.65 60.02 1n8r s ILE 151 Cb -0.34 -3.86 -0.11 0.00 -1.58 0.00 0.00 42.46 36.57 1n8r s ILE 151 CO 0.44 0.21 1.44 -2.84 -1.23 0.00 0.00 174.94 172.96 1n8r s PRO 152 N -0.19 4.21 0.41 2.79 0.02 -1.26 -4.87 135.00 136.11 1n8r s PRO 152 Ca 0.53 2.42 0.21 0.00 0.02 0.00 0.00 61.00 64.18 1n8r s PRO 152 Cb -0.32 -3.03 1.19 0.00 0.02 0.00 0.00 34.50 32.35 1n8r s PRO 152 CO 0.36 -0.43 1.73 1.79 -0.33 0.00 0.00 177.00 180.12 1n8r h THR 153 N 3.16 0.41 -0.23 0.99 1.35 -1.97 0.29 112.91 116.92 1n8r h THR 153 Ca -0.49 -0.11 -0.07 0.00 -0.55 0.00 0.00 66.41 65.20 1n8r h THR 153 Cb 1.23 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1n8r h THR 153 CO 0.69 0.06 -0.16 0.11 -0.25 0.00 0.00 175.52 175.97 1n8r h LYS 154 N 0.31 0.39 -0.17 4.72 6.56 -2.04 -1.87 116.57 124.48 1n8r h LYS 154 Ca 0.66 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 60.13 1n8r h LYS 154 Cb 1.79 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.40 1n8r h LYS 154 CO -0.34 0.55 0.00 1.58 -2.06 0.00 0.00 179.45 179.18 1n8r n HIS 155 N -4.20 0.21 -1.83 -1.35 -0.00 0.98 -4.88 115.22 104.16 1n8r n HIS 155 Ca -0.00 -0.11 -0.29 0.00 0.46 0.00 0.00 57.72 57.78 1n8r n HIS 155 Cb 0.33 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.29 1n8r n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1n8r s ARG 156 N -1.79 1.98 -0.21 1.57 1.81 -0.70 -4.72 118.95 116.89 1n8r s ARG 156 Ca 0.32 0.21 -0.08 0.00 -1.72 0.00 0.00 55.73 54.47 1n8r s ARG 156 Cb 0.17 -1.94 -0.04 0.00 -0.45 0.00 0.00 34.95 32.69 1n8r s ARG 156 CO 0.26 -1.61 0.08 -1.17 -0.68 0.00 0.00 175.30 172.19 1n8r s LEU 157 N -5.62 3.78 0.53 2.53 2.96 -1.26 -5.00 118.68 116.59 1n8r s LEU 157 Ca 0.62 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1n8r s LEU 157 Cb -0.12 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1n8r s LEU 157 CO 0.50 0.11 0.83 0.20 -1.32 0.00 0.00 176.35 176.67 1n8r s ASN 158 N 0.76 5.89 0.20 3.68 -0.87 -1.26 -2.87 114.94 120.46 1n8r s ASN 158 Ca 0.04 0.75 -0.10 0.00 -1.57 0.00 0.00 52.86 51.98 1n8r s ASN 158 Cb -0.13 -1.90 0.24 0.00 -0.02 0.00 0.00 41.25 39.43 1n8r s ASN 158 CO 0.02 -0.83 1.77 -0.65 -2.57 0.00 0.00 177.10 174.84 1n8r h PRO 159 N 0.04 0.49 0.77 -0.60 0.11 -1.76 -1.96 132.00 129.10 1n8r h PRO 159 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1n8r h PRO 159 Cb 1.23 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1n8r h PRO 159 CO 0.61 0.33 -0.37 0.00 -0.21 0.00 0.00 178.00 178.35 1n8r h ALA 160 N 1.36 -1.04 0.00 -0.75 0.00 -1.93 -1.45 119.26 115.45 1n8r h ALA 160 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1n8r h ALA 160 Cb 0.27 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1n8r h ALA 160 CO -0.23 -1.04 0.19 -0.44 0.00 0.00 0.00 179.25 177.73 1n8r h ASP 161 N -1.11 0.00 0.00 0.00 3.32 -1.91 -0.52 116.42 116.20 1n8r h ASP 161 Ca -0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1n8r h ASP 161 Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1n8r h ASP 161 CO 0.17 0.00 -0.37 0.00 -1.72 0.00 0.00 179.24 177.33 1n8r h ALA 162 N 1.51 0.05 -0.89 3.45 0.00 -0.84 -3.23 119.26 119.31 1n8r h ALA 162 Ca 0.00 -0.49 0.23 0.00 0.00 0.00 0.00 54.91 54.65 1n8r h ALA 162 Cb 0.39 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 1n8r h ALA 162 CO 0.00 0.25 0.34 0.28 0.00 0.00 0.00 179.25 180.12 1n8r h VAL 163 N -1.00 0.39 0.57 0.00 2.07 -0.06 -0.61 116.25 117.61 1n8r h VAL 163 Ca -0.07 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1n8r h VAL 163 Cb 0.65 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1n8r h VAL 163 CO -0.04 0.06 -0.43 0.00 0.02 0.00 0.00 177.57 177.18 1n8r h ALA 164 N 1.75 -1.17 -0.51 1.67 0.00 -1.51 0.22 119.26 119.71 1n8r h ALA 164 Ca 0.57 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1n8r h ALA 164 Cb 1.13 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 19.41 1n8r h ALA 164 CO -0.59 -1.16 -0.33 0.35 0.00 0.00 0.00 179.25 177.52 1n8r h PHE 165 N -0.96 -0.92 0.18 0.00 3.57 -1.15 0.75 116.94 118.42 1n8r h PHE 165 Ca -0.08 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1n8r h PHE 165 Cb 0.79 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1n8r h PHE 165 CO -0.14 -0.38 -0.09 0.82 -2.23 0.00 0.00 178.31 176.29 1n8r h ILE 166 N -0.20 0.89 -1.10 1.41 2.04 -1.39 -3.04 117.51 116.13 1n8r h ILE 166 Ca 0.21 -0.93 0.31 0.00 1.00 0.00 0.00 64.86 65.44 1n8r h ILE 166 Cb 0.54 1.41 -0.11 0.00 -0.74 0.00 0.00 36.82 37.92 1n8r h ILE 166 CO -0.62 0.20 0.70 -0.08 0.00 0.00 0.00 178.15 178.34 1n8r h GLU 167 N -0.75 0.32 -1.40 2.37 4.81 -0.35 1.02 114.58 120.60 1n8r h GLU 167 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1n8r h GLU 167 Cb 0.51 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1n8r h GLU 167 CO 0.04 0.21 0.00 0.45 -0.73 0.00 0.00 179.01 178.98 1n8r n SER 168 N -4.68 3.86 -2.85 1.04 2.88 0.24 -3.91 113.62 110.20 1n8r n SER 168 Ca 0.28 -2.13 -0.12 0.00 -1.33 0.00 0.00 58.87 55.57 1n8r n SER 168 Cb 1.00 -0.73 0.03 0.00 -0.75 0.00 0.00 64.21 63.76 1n8r n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1n8r n THR 169 N 0.90 -0.13 -2.20 2.46 -1.04 0.35 -5.00 114.28 109.62 1n8r n THR 169 Ca 0.00 -2.17 -0.02 0.00 -2.04 0.00 0.00 64.05 59.82 1n8r n THR 169 Cb 0.49 0.80 0.01 0.00 -1.82 0.00 0.00 70.33 69.81 1n8r n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1n8r n TYR 170 N 1.15 -0.30 -3.46 -1.42 4.02 -1.26 -5.01 117.16 110.89 1n8r n TYR 170 Ca 0.11 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 1n8r n TYR 170 Cb 0.64 -2.42 0.00 0.00 -0.02 0.00 0.00 39.34 37.54 1n8r n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1n8r n ASP 171 N -1.27 0.00 -3.94 7.72 5.68 -1.25 -4.92 116.55 118.56 1n8r n ASP 171 Ca -0.04 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.15 1n8r n ASP 171 Cb 0.52 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.40 1n8r n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1n8r s VAL 172 N -3.00 0.10 0.00 2.12 1.01 -1.26 -4.79 120.40 114.57 1n8r s VAL 172 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1n8r s VAL 172 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1n8r s VAL 172 CO 0.00 -0.44 0.00 -1.84 0.00 0.00 0.00 175.10 172.82 1n8r n GLU 173 N 1.62 1.28 0.00 2.72 0.28 -1.26 -4.95 120.64 120.33 1n8r n GLU 173 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.77 1n8r n GLU 173 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1n8r n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25