#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9f s THR 27 N 0.00 1.94 0.41 3.57 2.01 -1.26 -5.28 115.64 117.02 1r9f s THR 27 Ca 0.00 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 1r9f s THR 27 Cb 0.00 -1.81 -0.11 0.00 0.01 0.00 0.00 72.50 70.60 1r9f s THR 27 CO 0.00 0.45 0.93 -0.55 -0.69 0.00 0.00 174.62 174.76 1r9f s SER 28 N 1.32 6.98 0.01 3.53 0.15 -1.26 -4.67 113.70 119.76 1r9f s SER 28 Ca 0.03 1.68 0.28 0.00 0.70 0.00 0.00 55.95 58.65 1r9f s SER 28 Cb -0.14 -2.53 1.12 0.00 -1.71 0.00 0.00 66.02 62.76 1r9f s SER 28 CO -0.11 -0.31 1.86 -0.81 1.20 0.00 0.00 173.24 175.06 1r9f n PRO 29 N -0.46 0.02 -3.13 5.44 -0.04 -1.26 -4.74 135.00 130.82 1r9f n PRO 29 Ca 0.06 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 1r9f n PRO 29 Cb 0.53 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1r9f n PRO 29 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1r9f s PHE 30 N -3.01 3.54 -1.50 0.54 0.40 -1.26 -4.17 117.98 112.52 1r9f s PHE 30 Ca 0.13 1.30 0.15 0.00 -0.60 0.00 0.00 56.93 57.91 1r9f s PHE 30 Cb 0.18 -2.57 0.03 0.00 0.51 0.00 0.00 43.02 41.17 1r9f s PHE 30 CO 0.55 0.25 0.85 1.63 0.70 0.00 0.00 175.22 179.20 1r9f n LYS 31 N 0.30 1.62 -4.49 0.44 5.02 0.27 -4.95 118.16 116.36 1r9f n LYS 31 Ca -0.00 -0.93 -0.23 0.00 -2.02 0.00 0.00 58.31 55.13 1r9f n LYS 31 Cb 0.52 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 34.14 1r9f n LYS 31 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r9f s LEU 32 N -1.78 2.19 0.77 -0.35 1.43 -1.25 -5.00 118.68 114.68 1r9f s LEU 32 Ca 0.14 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1r9f s LEU 32 Cb 0.12 -0.83 0.05 0.00 0.03 0.00 0.00 46.19 45.57 1r9f s LEU 32 CO 0.33 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.94 1r9f s PRO 33 N -1.26 2.32 0.54 1.29 0.04 -1.26 -5.01 135.00 131.66 1r9f s PRO 33 Ca 0.05 0.71 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 1r9f s PRO 33 Cb -0.09 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1r9f s PRO 33 CO 0.02 -1.47 1.22 0.34 0.04 0.00 0.00 177.00 177.15 1r9f s ASP 34 N -3.89 5.52 -0.17 6.66 -1.08 -1.26 -4.92 116.67 117.53 1r9f s ASP 34 Ca 0.60 2.43 0.17 0.00 -0.52 0.00 0.00 52.55 55.23 1r9f s ASP 34 Cb -0.14 -2.61 0.44 0.00 -1.46 0.00 0.00 42.92 39.16 1r9f s ASP 34 CO 0.54 -1.37 1.18 -0.62 0.52 0.00 0.00 175.17 175.42 1r9f n GLU 35 N -1.14 1.47 -1.70 4.34 1.02 0.16 -4.96 120.64 119.83 1r9f n GLU 35 Ca 0.11 -3.08 -0.44 0.00 -0.02 0.00 0.00 57.16 53.73 1r9f n GLU 35 Cb 0.48 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.64 1r9f n GLU 35 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1r9f n SER 36 N -0.47 3.71 -4.80 1.62 7.64 -1.25 -4.74 113.62 115.33 1r9f n SER 36 Ca 0.18 1.05 -0.34 0.00 1.01 0.00 0.00 58.87 60.77 1r9f n SER 36 Cb 0.90 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.54 1r9f n SER 36 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1r9f s PRO 37 N 1.44 3.91 0.87 1.43 0.04 -1.26 -5.03 135.00 136.40 1r9f s PRO 37 Ca 0.78 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1r9f s PRO 37 Cb -0.56 -2.12 0.11 0.00 0.04 0.00 0.00 34.50 31.98 1r9f s PRO 37 CO 0.35 -0.33 1.09 -1.54 0.04 0.00 0.00 177.00 176.62 1r9f s SER 38 N -2.07 3.73 0.31 6.66 1.04 -1.26 -4.77 113.70 117.34 1r9f s SER 38 Ca 0.66 1.46 0.01 0.00 0.48 0.00 0.00 55.95 58.56 1r9f s SER 38 Cb -0.14 -2.15 0.55 0.00 0.10 0.00 0.00 66.02 64.38 1r9f s SER 38 CO 0.19 -2.47 1.93 -0.25 0.98 0.00 0.00 173.24 173.61 1r9f h TRP 39 N -1.44 1.00 -0.20 5.02 7.01 -1.99 -0.99 115.95 124.37 1r9f h TRP 39 Ca -0.49 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.52 1r9f h TRP 39 Cb 1.28 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1r9f h TRP 39 CO 0.44 0.54 0.04 1.15 -2.79 0.00 0.00 178.44 177.81 1r9f h THR 40 N 0.99 1.22 -0.52 2.65 2.02 -1.99 -1.16 112.91 116.11 1r9f h THR 40 Ca 0.36 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1r9f h THR 40 Cb 0.17 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1r9f h THR 40 CO -0.13 0.22 0.29 -0.08 0.37 0.00 0.00 175.52 176.19 1r9f h GLU 41 N 0.12 0.73 -0.44 6.66 4.81 -1.78 -0.75 114.58 123.93 1r9f h GLU 41 Ca 0.06 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1r9f h GLU 41 Cb 0.30 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1r9f h GLU 41 CO 0.00 0.56 0.19 2.35 -0.73 0.00 0.00 179.01 181.38 1r9f h TRP 42 N 0.70 0.35 -0.67 0.92 7.01 -1.09 -0.11 115.95 123.07 1r9f h TRP 42 Ca 0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1r9f h TRP 42 Cb 0.04 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 1r9f h TRP 42 CO -0.02 0.16 0.36 0.00 -2.79 0.00 0.00 178.44 176.15 1r9f h ARG 43 N 0.39 0.94 -0.86 2.65 3.08 -0.85 -0.93 114.38 118.80 1r9f h ARG 43 Ca 0.19 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1r9f h ARG 43 Cb 0.14 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1r9f h ARG 43 CO -0.16 0.71 0.42 -0.07 -1.07 0.00 0.00 179.97 179.80 1r9f h LEU 44 N 0.91 1.12 -0.63 3.04 3.38 -0.56 -2.09 115.31 120.49 1r9f h LEU 44 Ca 0.23 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1r9f h LEU 44 Cb 0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1r9f h LEU 44 CO -0.04 0.94 0.07 -0.74 0.09 0.00 0.00 178.44 178.76 1r9f h HIS 45 N 1.23 1.14 -0.66 1.13 2.76 -0.62 -2.82 115.15 117.30 1r9f h HIS 45 Ca 0.30 -0.17 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1r9f h HIS 45 Cb 0.11 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 28.73 1r9f h HIS 45 CO 0.02 0.98 0.42 -0.91 -1.30 0.00 0.00 177.93 177.13 1r9f h ASN 46 N 0.97 0.69 0.66 3.26 -0.26 -0.65 -1.30 115.58 118.96 1r9f h ASN 46 Ca 0.19 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1r9f h ASN 46 Cb 0.48 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1r9f h ASN 46 CO 0.02 0.49 0.00 0.47 -1.06 0.00 0.00 177.43 177.35 1r9f n ASP 47 N -4.68 0.10 0.02 5.81 8.00 -0.83 -2.78 116.55 122.19 1r9f n ASP 47 Ca 0.06 0.52 0.06 0.00 0.71 0.00 0.00 54.79 56.14 1r9f n ASP 47 Cb 0.07 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 1r9f n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r9f n GLU 48 N -1.61 0.64 0.00 -1.24 1.02 -0.54 -5.11 120.64 113.80 1r9f n GLU 48 Ca 0.04 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1r9f n GLU 48 Cb 0.22 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1r9f n GLU 48 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1r9f n THR 49 N -2.61 0.00 0.00 2.62 -2.24 -0.90 -5.10 114.28 106.05 1r9f n THR 49 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1r9f n THR 49 Cb 0.71 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1r9f n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r9f n GLN 53 N 0.00 0.00 -0.39 -0.78 1.13 -1.26 -4.88 117.38 111.20 1r9f n GLN 53 Ca 0.00 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.16 1r9f n GLN 53 Cb 0.00 0.00 0.30 0.00 0.11 0.00 0.00 30.24 30.65 1r9f n GLN 53 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1r9f n ASP 54 N 0.00 3.94 -3.08 1.08 3.85 -1.26 -4.48 116.55 116.60 1r9f n ASP 54 Ca 0.00 -2.12 -0.22 0.00 -0.71 0.00 0.00 54.79 51.74 1r9f n ASP 54 Cb 0.00 -0.46 -0.03 0.00 -1.35 0.00 0.00 41.12 39.28 1r9f n ASP 54 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1r9f n ASN 55 N 1.26 2.37 -4.58 -1.12 4.05 -1.26 -4.99 115.26 110.99 1r9f n ASN 55 Ca 0.22 -3.29 -0.29 0.00 0.45 0.00 0.00 54.58 51.67 1r9f n ASN 55 Cb 0.65 -0.59 0.15 0.00 1.23 0.00 0.00 39.78 41.21 1r9f n ASN 55 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1r9f s PRO 56 N -2.88 0.97 0.35 1.20 0.04 -1.26 -4.95 135.00 128.48 1r9f s PRO 56 Ca 0.44 0.08 0.12 0.00 0.04 0.00 0.00 61.00 61.67 1r9f s PRO 56 Cb 0.32 -1.84 0.66 0.00 0.04 0.00 0.00 34.50 33.69 1r9f s PRO 56 CO -0.10 -2.27 1.80 -0.07 0.04 0.00 0.00 177.00 176.39 1r9f h LEU 57 N -1.55 0.04 0.00 -3.56 3.38 -1.96 -3.46 115.31 108.20 1r9f h LEU 57 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1r9f h LEU 57 Cb 1.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1r9f h LEU 57 CO 0.55 0.42 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1r9f n GLY 58 N -0.39 1.76 3.32 0.83 0.00 -1.26 -1.93 105.19 107.52 1r9f n GLY 58 Ca -0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1r9f n GLY 58 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r9f s PHE 59 N -1.49 1.52 -0.06 1.61 -0.12 -0.55 -4.87 117.98 114.02 1r9f s PHE 59 Ca 0.00 -0.96 0.04 0.00 -0.05 0.00 0.00 56.93 55.96 1r9f s PHE 59 Cb 0.00 -0.89 -0.02 0.00 -0.63 0.00 0.00 43.02 41.49 1r9f s PHE 59 CO 0.00 -0.09 -0.19 0.15 -0.05 0.00 0.00 175.22 175.03 1r9f s LYS 60 N -3.89 2.64 0.04 1.99 1.02 -0.99 -1.16 119.74 119.39 1r9f s LYS 60 Ca 0.29 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.48 1r9f s LYS 60 Cb 0.06 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1r9f s LYS 60 CO 0.09 0.45 -0.03 -1.83 -0.92 0.00 0.00 175.35 173.11 1r9f s GLU 61 N -0.31 0.49 0.06 1.68 -1.05 -0.29 -0.45 118.70 118.82 1r9f s GLU 61 Ca 0.02 -0.95 -0.14 0.00 -0.15 0.00 0.00 54.97 53.75 1r9f s GLU 61 Cb -0.13 0.11 0.02 0.00 -0.44 0.00 0.00 34.13 33.70 1r9f s GLU 61 CO 0.02 -0.07 0.32 -1.54 0.95 0.00 0.00 175.26 174.94 1r9f s SER 62 N -2.25 -0.14 -0.09 0.83 1.04 0.26 -1.25 113.70 112.10 1r9f s SER 62 Ca -0.03 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1r9f s SER 62 Cb -0.01 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.51 1r9f s SER 62 CO -0.05 -0.66 -0.10 0.26 0.98 0.00 0.00 173.24 173.67 1r9f s TRP 63 N -2.83 1.48 -0.07 5.02 0.52 -0.17 -1.19 118.94 121.70 1r9f s TRP 63 Ca -0.03 -0.65 0.05 0.00 0.02 0.00 0.00 56.10 55.49 1r9f s TRP 63 Cb 0.00 -1.16 -0.01 0.00 -1.15 0.00 0.00 33.47 31.15 1r9f s TRP 63 CO -0.05 -0.41 -0.23 0.20 0.02 0.00 0.00 176.95 176.48 1r9f s GLY 64 N 1.23 1.33 -0.24 0.98 0.00 0.12 -0.46 107.32 110.27 1r9f s GLY 64 Ca -0.04 -1.02 -0.00 0.00 0.00 0.00 0.00 44.72 43.66 1r9f s GLY 64 CO -0.03 -0.57 0.00 -1.36 0.00 0.00 0.00 173.10 171.14 1r9f s PHE 65 N -0.08 2.01 0.00 1.90 0.40 0.10 -1.14 117.98 121.17 1r9f s PHE 65 Ca -0.06 -1.60 0.00 0.00 -0.60 0.00 0.00 56.93 54.67 1r9f s PHE 65 Cb -0.14 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1r9f s PHE 65 CO 0.05 -0.76 0.00 0.41 0.70 0.00 0.00 175.22 175.61 1r9f n GLY 66 N 4.77 3.37 0.64 4.36 0.00 0.07 -1.88 105.19 116.53 1r9f n GLY 66 Ca -0.08 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1r9f n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r9f n LYS 67 N 13.32 1.85 -4.17 1.61 5.02 -1.26 -4.87 118.16 129.65 1r9f n LYS 67 Ca 0.00 -1.30 -0.35 0.00 -2.02 0.00 0.00 58.31 54.64 1r9f n LYS 67 Cb 0.00 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1r9f n LYS 67 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r9f s VAL 68 N -2.04 4.67 -0.02 -0.18 1.01 -0.79 -5.10 120.40 117.94 1r9f s VAL 68 Ca 0.33 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1r9f s VAL 68 Cb 0.20 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1r9f s VAL 68 CO 0.34 0.56 -0.13 0.54 0.00 0.00 0.00 175.10 176.41 1r9f s VAL 69 N -0.50 1.08 -0.07 2.92 0.11 -1.26 0.01 120.40 122.69 1r9f s VAL 69 Ca 0.10 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1r9f s VAL 69 Cb -0.12 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1r9f s VAL 69 CO 0.02 0.32 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.58 1r9f s PHE 70 N -0.04 2.65 0.14 1.54 0.40 0.39 -4.97 117.98 118.09 1r9f s PHE 70 Ca -0.00 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1r9f s PHE 70 Cb -0.08 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1r9f s PHE 70 CO 0.01 -0.00 -0.15 0.15 0.70 0.00 0.00 175.22 175.93 1r9f s LYS 71 N -0.36 1.10 -0.13 0.44 1.02 -1.26 -1.00 119.74 119.56 1r9f s LYS 71 Ca 0.03 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.59 1r9f s LYS 71 Cb -0.12 -0.98 0.04 0.00 -0.52 0.00 0.00 37.83 36.24 1r9f s LYS 71 CO 0.02 0.18 0.33 1.03 -0.92 0.00 0.00 175.35 176.00 1r9f s ARG 72 N -2.89 0.37 -0.18 1.68 1.81 -0.38 -4.86 118.95 114.50 1r9f s ARG 72 Ca 0.12 0.49 -0.01 0.00 -1.72 0.00 0.00 55.73 54.61 1r9f s ARG 72 Cb -0.04 0.15 -0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1r9f s ARG 72 CO 0.04 -0.06 -0.11 -0.47 -0.68 0.00 0.00 175.30 174.01 1r9f s TYR 73 N 0.36 2.86 -0.03 -0.53 5.04 -1.26 -1.14 117.35 122.65 1r9f s TYR 73 Ca -0.01 -1.02 0.06 0.00 -2.44 0.00 0.00 57.07 53.66 1r9f s TYR 73 Cb -0.03 -1.97 -0.01 0.00 0.35 0.00 0.00 41.96 40.29 1r9f s TYR 73 CO -0.01 -0.50 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.97 1r9f s LEU 74 N 1.07 2.01 0.28 6.97 1.43 -0.31 -0.66 118.68 129.47 1r9f s LEU 74 Ca -0.00 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 1r9f s LEU 74 Cb -0.15 -1.13 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 1r9f s LEU 74 CO -0.02 0.23 1.25 -0.13 0.23 0.00 0.00 176.35 177.90 1r9f s ARG 75 N -0.28 4.44 -0.15 1.70 1.81 -1.26 -1.49 118.95 123.72 1r9f s ARG 75 Ca 0.02 2.06 -0.08 0.00 -1.72 0.00 0.00 55.73 56.01 1r9f s ARG 75 Cb -0.10 -3.14 0.06 0.00 -0.45 0.00 0.00 34.95 31.32 1r9f s ARG 75 CO 0.01 -0.10 0.35 -0.47 -0.68 0.00 0.00 175.30 174.42 1r9f s TYR 76 N -0.79 -0.52 -0.20 -0.53 5.04 -0.81 -4.89 117.35 114.64 1r9f s TYR 76 Ca 0.50 1.13 0.13 0.00 -2.44 0.00 0.00 57.07 56.39 1r9f s TYR 76 Cb -0.37 0.19 0.27 0.00 0.35 0.00 0.00 41.96 42.41 1r9f s TYR 76 CO 0.46 -0.32 1.19 -0.40 -1.34 0.00 0.00 175.55 175.14 1r9f n ASP 77 N 4.34 2.67 0.00 4.32 5.68 -1.26 -4.45 116.55 127.85 1r9f n ASP 77 Ca -0.23 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.38 1r9f n ASP 77 Cb 0.54 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1r9f n ASP 77 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1r9f n ARG 78 N -0.78 -0.63 -2.72 0.11 1.74 -1.26 -5.02 116.66 108.10 1r9f n ARG 78 Ca 0.13 0.16 -0.25 0.00 -0.77 0.00 0.00 57.85 57.12 1r9f n ARG 78 Cb 0.58 -3.64 0.02 0.00 -1.02 0.00 0.00 32.46 28.39 1r9f n ARG 78 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1r9f s THR 79 N -1.76 3.84 0.21 0.55 -4.23 -1.26 -4.93 115.64 108.06 1r9f s THR 79 Ca 0.00 -0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.16 1r9f s THR 79 Cb 0.00 -3.47 0.11 0.00 1.34 0.00 0.00 72.50 70.49 1r9f s THR 79 CO 0.00 -0.39 1.72 1.05 -0.54 0.00 0.00 174.62 176.45 1r9f h GLU 80 N 0.15 1.10 -0.11 3.99 9.09 -1.99 -0.56 114.58 126.25 1r9f h GLU 80 Ca -0.46 -0.27 -0.00 0.00 0.05 0.00 0.00 59.36 58.68 1r9f h GLU 80 Cb 1.25 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 1r9f h GLU 80 CO 0.59 0.99 0.06 0.00 0.05 0.00 0.00 179.01 180.69 1r9f h ALA 81 N 1.11 0.14 -0.64 1.06 0.00 -1.99 -1.50 119.26 117.43 1r9f h ALA 81 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1r9f h ALA 81 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1r9f h ALA 81 CO 0.01 -0.31 0.29 1.03 0.00 0.00 0.00 179.25 180.26 1r9f h SER 82 N 0.07 0.86 -0.54 0.00 0.87 -1.91 -1.46 113.55 111.45 1r9f h SER 82 Ca 0.04 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1r9f h SER 82 Cb 0.09 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1r9f h SER 82 CO -0.01 0.77 0.32 0.25 -0.53 0.00 0.00 176.83 177.63 1r9f h LEU 83 N 0.89 0.65 -0.49 2.23 5.85 -0.97 -1.27 115.31 122.20 1r9f h LEU 83 Ca 0.22 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1r9f h LEU 83 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1r9f h LEU 83 CO -0.02 0.52 0.31 -0.74 -0.34 0.00 0.00 178.44 178.16 1r9f h HIS 84 N 0.72 0.63 0.26 1.25 2.76 -1.00 -1.62 115.15 118.15 1r9f h HIS 84 Ca 0.19 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1r9f h HIS 84 Cb -0.01 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1r9f h HIS 84 CO -0.02 0.42 -0.17 -0.09 -1.30 0.00 0.00 177.93 176.77 1r9f h ARG 85 N 0.65 -0.41 0.00 5.26 2.43 -0.79 -3.09 114.38 118.44 1r9f h ARG 85 Ca 0.18 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1r9f h ARG 85 Cb -0.03 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1r9f h ARG 85 CO -0.04 -0.27 -0.33 -0.39 -1.51 0.00 0.00 179.97 177.43 1r9f h VAL 86 N -0.42 0.90 0.00 0.20 -1.51 -1.17 -1.92 116.25 112.33 1r9f h VAL 86 Ca -0.02 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1r9f h VAL 86 Cb 0.36 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1r9f h VAL 86 CO 0.01 0.32 0.00 0.18 -1.23 0.00 0.00 177.57 176.86 1r9f n LEU 87 N -3.66 0.45 -0.72 4.19 4.77 -0.62 -1.63 117.00 119.79 1r9f n LEU 87 Ca -0.01 0.63 0.09 0.00 -0.03 0.00 0.00 56.01 56.69 1r9f n LEU 87 Cb 0.44 -0.59 0.28 0.00 -2.33 0.00 0.00 43.42 41.23 1r9f n LEU 87 CO 0.36 -0.54 0.72 0.61 -1.33 0.00 0.00 177.39 177.21 1r9f n GLY 88 N -0.30 0.74 0.28 -0.72 0.00 -0.72 -4.27 105.19 100.21 1r9f n GLY 88 Ca 0.02 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.72 1r9f n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r9f h SER 89 N 2.62 0.00 -4.88 1.61 4.64 -1.43 -3.42 113.55 112.69 1r9f h SER 89 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r9f h SER 89 Cb 0.58 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.52 1r9f h SER 89 CO 0.00 0.06 0.27 -1.66 -0.87 0.00 0.00 176.83 174.63 1r9f s TRP 90 N -4.00 -0.53 0.29 4.77 1.48 -1.26 0.95 118.94 120.63 1r9f s TRP 90 Ca -0.02 0.58 0.02 0.00 -1.06 0.00 0.00 56.10 55.62 1r9f s TRP 90 Cb 0.12 0.50 -0.05 0.00 -1.16 0.00 0.00 33.47 32.88 1r9f s TRP 90 CO 0.53 -0.69 0.11 0.95 -4.06 0.00 0.00 176.95 173.79 1r9f s THR 91 N -2.66 0.56 0.28 0.66 -4.23 -1.26 -5.01 115.64 103.98 1r9f s THR 91 Ca -0.02 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1r9f s THR 91 Cb -0.01 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.49 1r9f s THR 91 CO -0.04 0.00 1.94 1.23 -0.54 0.00 0.00 174.62 177.21 1r9f h GLY 92 N 2.28 1.31 0.85 3.99 0.00 -1.98 -1.13 103.07 108.39 1r9f h GLY 92 Ca -0.37 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.43 1r9f h GLY 92 CO 0.59 0.44 -0.08 -0.55 0.00 0.00 0.00 176.54 176.95 1r9f h ASP 93 N 1.21 0.50 -0.02 0.19 3.32 -1.99 -0.99 116.42 118.64 1r9f h ASP 93 Ca 0.35 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1r9f h ASP 93 Cb -0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1r9f h ASP 93 CO -0.09 0.76 -0.23 0.77 -1.72 0.00 0.00 179.24 178.73 1r9f h SER 94 N 0.23 0.42 -0.21 6.45 4.64 -1.77 -1.23 113.55 122.08 1r9f h SER 94 Ca 0.06 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 1r9f h SER 94 Cb 0.55 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1r9f h SER 94 CO 0.03 0.66 -0.32 0.58 -0.87 0.00 0.00 176.83 176.91 1r9f h VAL 95 N 0.38 1.33 -0.78 0.95 2.07 -1.16 -2.38 116.25 116.65 1r9f h VAL 95 Ca 0.06 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1r9f h VAL 95 Cb 0.62 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1r9f h VAL 95 CO 0.04 0.47 0.31 -1.13 0.02 0.00 0.00 177.57 177.29 1r9f h ASN 96 N 0.28 1.08 -0.53 0.57 -1.24 -0.99 0.16 115.58 114.91 1r9f h ASN 96 Ca 0.02 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 56.79 1r9f h ASN 96 Cb 0.90 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.65 1r9f h ASN 96 CO 0.07 0.96 0.07 0.22 -1.29 0.00 0.00 177.43 177.46 1r9f h TYR 97 N 1.13 0.95 -0.27 0.67 3.20 -1.22 0.23 116.97 121.66 1r9f h TYR 97 Ca 0.26 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 1r9f h TYR 97 Cb 0.22 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1r9f h TYR 97 CO 0.02 0.86 -0.24 0.00 -1.64 0.00 0.00 178.16 177.16 1r9f h ALA 98 N 0.98 0.39 -0.47 1.82 0.00 -1.16 -3.28 119.26 117.54 1r9f h ALA 98 Ca 0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1r9f h ALA 98 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1r9f h ALA 98 CO 0.01 0.36 -0.16 0.00 0.00 0.00 0.00 179.25 179.47 1r9f h ALA 99 N 0.70 0.84 -0.10 0.00 0.00 -0.58 -3.12 119.26 117.00 1r9f h ALA 99 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1r9f h ALA 99 Cb 0.79 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1r9f h ALA 99 CO 0.06 0.65 0.12 0.66 0.00 0.00 0.00 179.25 180.73 1r9f h SER 100 N 0.79 0.00 0.11 0.00 4.64 -1.00 -0.98 113.55 117.11 1r9f h SER 100 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1r9f h SER 100 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1r9f h SER 100 CO 0.05 0.00 -0.03 -0.09 -0.87 0.00 0.00 176.83 175.89 1r9f h ARG 101 N 0.00 0.00 -0.30 4.77 9.65 -1.64 -2.32 114.38 124.54 1r9f h ARG 101 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1r9f h ARG 101 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1r9f h ARG 101 CO -0.00 0.03 0.00 1.19 2.80 0.00 0.00 179.97 183.99 1r9f n PHE 102 N -3.67 0.39 -2.41 2.20 3.01 -0.37 -5.00 117.46 111.60 1r9f n PHE 102 Ca -0.03 -0.24 -0.37 0.00 1.01 0.00 0.00 57.45 57.83 1r9f n PHE 102 Cb 0.12 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1r9f n PHE 102 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1r9f s PHE 103 N -1.33 3.10 0.00 1.38 0.08 -0.87 -4.96 117.98 115.37 1r9f s PHE 103 Ca 0.31 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.96 1r9f s PHE 103 Cb 0.19 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1r9f s PHE 103 CO 0.26 -1.03 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 1r9f n GLY 104 N 0.41 4.58 0.07 4.36 0.00 -1.26 -5.05 105.19 108.30 1r9f n GLY 104 Ca 0.06 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1r9f n GLY 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1r9f h PHE 105 N 0.00 -0.08 -3.45 1.61 -5.15 -2.05 -3.43 116.94 104.39 1r9f h PHE 105 Ca 0.00 -0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.28 1r9f h PHE 105 Cb 0.00 0.03 0.03 0.00 0.22 0.00 0.00 35.95 36.23 1r9f h PHE 105 CO 0.00 0.00 0.07 -0.51 -2.00 0.00 0.00 178.31 175.87 1r9f s ASP 106 N -5.17 6.18 0.42 -0.68 1.01 -1.26 -5.06 116.67 112.11 1r9f s ASP 106 Ca -0.14 0.82 -0.23 0.00 0.71 0.00 0.00 52.55 53.72 1r9f s ASP 106 Cb 0.05 -2.14 -0.10 0.00 1.01 0.00 0.00 42.92 41.75 1r9f s ASP 106 CO 0.66 -0.60 1.00 -1.58 0.21 0.00 0.00 175.17 174.86 1r9f s GLN 107 N -4.71 4.16 0.24 8.23 0.74 -1.26 -5.01 119.66 122.04 1r9f s GLN 107 Ca 0.47 1.34 0.11 0.00 0.05 0.00 0.00 55.36 57.33 1r9f s GLN 107 Cb -0.10 -2.38 -0.05 0.00 1.10 0.00 0.00 33.01 31.59 1r9f s GLN 107 CO 0.44 -0.12 -0.14 0.96 -0.55 0.00 0.00 175.29 175.87 1r9f s ILE 108 N -1.87 2.82 0.06 -2.34 -4.36 -1.26 -4.90 121.20 109.35 1r9f s ILE 108 Ca 0.60 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.65 1r9f s ILE 108 Cb -0.17 -2.44 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 1r9f s ILE 108 CO 0.21 -0.27 0.93 -0.83 0.24 0.00 0.00 174.94 175.22 1r9f s GLY 109 N -3.21 2.93 0.02 6.27 0.00 -1.26 -0.23 107.32 111.85 1r9f s GLY 109 Ca 0.27 0.51 0.08 0.00 0.00 0.00 0.00 44.72 45.58 1r9f s GLY 109 CO 0.15 1.47 -0.24 0.00 0.00 0.00 0.00 173.10 174.47 1r9f s THR 111 N -0.71 -0.00 -0.08 0.00 2.01 -0.29 -1.72 115.64 114.84 1r9f s THR 111 Ca 0.10 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1r9f s THR 111 Cb -0.09 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.95 1r9f s THR 111 CO 0.01 0.00 -0.24 -0.47 -0.69 0.00 0.00 174.62 173.23 1r9f s TYR 112 N 0.20 2.42 0.03 4.92 5.04 -0.02 0.10 117.35 130.04 1r9f s TYR 112 Ca -0.00 -0.85 0.04 0.00 -2.44 0.00 0.00 57.07 53.82 1r9f s TYR 112 Cb -0.02 -1.61 -0.02 0.00 0.35 0.00 0.00 41.96 40.66 1r9f s TYR 112 CO 0.00 -0.31 -0.13 -1.12 -1.34 0.00 0.00 175.55 172.66 1r9f s SER 113 N 0.11 1.47 -0.08 4.32 0.01 -0.33 -0.38 113.70 118.83 1r9f s SER 113 Ca -0.11 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1r9f s SER 113 Cb -0.16 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1r9f s SER 113 CO 0.06 0.01 0.17 -0.51 0.41 0.00 0.00 173.24 173.39 1r9f s ILE 114 N -0.83 -0.04 -0.07 1.44 2.07 -0.43 -0.57 121.20 122.77 1r9f s ILE 114 Ca 0.00 0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.43 1r9f s ILE 114 Cb -0.07 -0.28 -0.00 0.00 0.13 0.00 0.00 42.46 42.24 1r9f s ILE 114 CO 0.01 0.06 -0.21 -0.60 -1.91 0.00 0.00 174.94 172.29 1r9f s ARG 115 N 1.04 2.44 -0.23 3.50 3.52 0.40 -1.29 118.95 128.33 1r9f s ARG 115 Ca -0.08 -0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 54.67 1r9f s ARG 115 Cb -0.10 -1.96 0.09 0.00 -1.56 0.00 0.00 34.95 31.42 1r9f s ARG 115 CO -0.06 0.22 0.52 0.12 -0.81 0.00 0.00 175.30 175.29 1r9f s PHE 116 N 0.21 -0.96 -1.26 5.12 5.36 -0.33 -2.35 117.98 123.77 1r9f s PHE 116 Ca -0.11 1.81 -0.01 0.00 -0.96 0.00 0.00 56.93 57.65 1r9f s PHE 116 Cb -0.15 0.49 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1r9f s PHE 116 CO 0.05 -0.52 0.87 0.54 -1.46 0.00 0.00 175.22 174.70 1r9f n ARG 117 N 5.04 -5.86 -0.06 10.12 1.74 -1.26 -2.57 116.66 123.81 1r9f n ARG 117 Ca -0.14 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1r9f n ARG 117 Cb 0.52 -5.54 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 1r9f n ARG 117 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r9f n GLY 118 N -1.37 2.71 3.59 -0.13 0.00 -1.26 -5.00 105.19 103.72 1r9f n GLY 118 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1r9f n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9f s VAL 119 N -2.93 3.69 -0.02 1.61 1.01 -1.06 -5.12 120.40 117.57 1r9f s VAL 119 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1r9f s VAL 119 Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1r9f s VAL 119 CO 0.00 0.49 -0.16 -0.55 0.00 0.00 0.00 175.10 174.88 1r9f s SER 120 N -1.13 1.97 -0.06 3.32 0.15 -1.26 -1.18 113.70 115.51 1r9f s SER 120 Ca 0.15 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1r9f s SER 120 Cb -0.11 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1r9f s SER 120 CO 0.05 0.18 -0.16 -0.63 1.20 0.00 0.00 173.24 173.88 1r9f s ILE 121 N -0.24 1.36 -0.07 6.45 1.01 -0.41 -4.99 121.20 124.30 1r9f s ILE 121 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1r9f s ILE 121 Cb -0.08 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1r9f s ILE 121 CO 0.00 0.40 -0.12 -0.89 0.00 0.00 0.00 174.94 174.33 1r9f s THR 122 N 0.34 1.14 -0.21 2.92 2.01 -1.26 -1.31 115.64 119.26 1r9f s THR 122 Ca -0.10 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 1r9f s THR 122 Cb -0.14 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1r9f s THR 122 CO 0.04 0.36 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.58 1r9f s VAL 123 N 0.70 3.38 0.12 3.82 1.01 0.49 -4.96 120.40 124.96 1r9f s VAL 123 Ca -0.14 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1r9f s VAL 123 Cb -0.16 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1r9f s VAL 123 CO 0.03 0.43 -0.09 -0.44 0.00 0.00 0.00 175.10 175.04 1r9f s SER 124 N 1.34 1.47 0.00 3.32 0.01 -1.26 -0.84 113.70 117.73 1r9f s SER 124 Ca 0.04 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1r9f s SER 124 Cb -0.14 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1r9f s SER 124 CO -0.02 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1r9f n GLY 125 N 0.07 -0.58 3.84 3.44 0.00 -0.70 -5.02 105.19 106.24 1r9f n GLY 125 Ca -0.12 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1r9f n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r9f s GLY 126 N 0.00 1.91 0.61 -0.02 0.00 -1.26 -0.49 107.32 108.07 1r9f s GLY 126 Ca 0.00 0.13 0.31 0.00 0.00 0.00 0.00 44.72 45.16 1r9f s GLY 126 CO 0.00 0.42 2.06 1.48 0.00 0.00 0.00 173.10 177.05 1r9f h SER 127 N 0.25 0.00 0.93 1.64 4.64 -0.95 -0.15 113.55 119.92 1r9f h SER 127 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1r9f h SER 127 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1r9f h SER 127 CO 0.60 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.59 1r9f h ARG 128 N 0.00 0.00 -0.51 4.77 3.08 -1.92 -2.71 114.38 117.10 1r9f h ARG 128 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1r9f h ARG 128 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1r9f h ARG 128 CO -0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 1r9f n THR 129 N -2.65 1.29 -0.32 2.04 -2.24 -0.07 -4.70 114.28 107.64 1r9f n THR 129 Ca 0.02 -1.12 0.17 0.00 -2.27 0.00 0.00 64.05 60.84 1r9f n THR 129 Cb 0.28 0.36 0.36 0.00 -2.10 0.00 0.00 70.33 69.23 1r9f n THR 129 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1r9f h LEU 130 N 3.05 0.30 -0.05 3.22 5.85 -1.52 0.68 115.31 126.83 1r9f h LEU 130 Ca 0.00 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1r9f h LEU 130 Cb 1.01 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1r9f h LEU 130 CO 0.07 -0.09 -0.11 1.56 -0.34 0.00 0.00 178.44 179.52 1r9f h GLN 131 N 0.32 -0.16 -0.57 1.25 7.50 -1.86 0.76 115.11 122.36 1r9f h GLN 131 Ca 0.62 0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.70 1r9f h GLN 131 Cb 1.29 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.84 1r9f h GLN 131 CO -0.60 -0.11 0.01 0.45 -1.50 0.00 0.00 178.83 177.09 1r9f h HIS 132 N -0.16 1.05 -0.52 2.96 3.86 -1.52 -2.35 115.15 118.47 1r9f h HIS 132 Ca 0.06 -0.17 0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1r9f h HIS 132 Cb 0.24 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 1r9f h HIS 132 CO -0.20 0.93 0.26 1.25 0.86 0.00 0.00 177.93 181.04 1r9f h LEU 133 N 0.90 0.37 -0.94 2.43 5.85 -0.34 -2.17 115.31 121.42 1r9f h LEU 133 Ca 0.17 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1r9f h LEU 133 Cb 0.51 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1r9f h LEU 133 CO 0.02 0.25 0.02 0.00 -0.34 0.00 0.00 178.44 178.40 1r9f n GLU 135 N -4.22 0.22 0.00 0.00 1.02 -0.82 -1.20 120.64 115.64 1r9f n GLU 135 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1r9f n GLU 135 Cb 0.29 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1r9f n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r9f n ALA 137 N 0.34 0.00 0.03 0.62 0.00 0.65 -2.52 120.51 119.63 1r9f n ALA 137 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1r9f n ALA 137 Cb 0.05 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.77 1r9f n ALA 137 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1r9f h ILE 138 N 0.00 1.23 -0.34 0.00 6.09 -1.41 -0.51 117.51 122.57 1r9f h ILE 138 Ca 0.00 -1.04 -0.17 0.00 -1.37 0.00 0.00 64.86 62.28 1r9f h ILE 138 Cb 0.00 1.20 -0.00 0.00 0.47 0.00 0.00 36.82 38.49 1r9f h ILE 138 CO 0.00 0.33 -0.45 0.03 -3.07 0.00 0.00 178.15 174.99 1r9f h ARG 139 N 0.41 0.90 -0.60 2.19 3.08 -1.74 -2.00 114.38 116.61 1r9f h ARG 139 Ca 0.07 -0.52 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 1r9f h ARG 139 Cb 0.51 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1r9f h ARG 139 CO 0.03 1.16 0.06 0.77 -1.07 0.00 0.00 179.97 180.93 1r9f h SER 140 N 0.70 0.96 -0.07 7.04 0.02 -1.76 -1.53 113.55 118.91 1r9f h SER 140 Ca 0.04 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1r9f h SER 140 Cb 1.05 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1r9f h SER 140 CO 0.11 0.98 0.04 0.50 -1.14 0.00 0.00 176.83 177.32 1r9f h LYS 141 N 0.93 0.10 -0.59 3.45 3.64 -0.98 -2.99 116.57 120.14 1r9f h LYS 141 Ca 0.18 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1r9f h LYS 141 Cb 0.46 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1r9f h LYS 141 CO 0.02 0.15 0.35 1.96 -2.27 0.00 0.00 179.45 179.66 1r9f h GLN 142 N 0.03 0.81 -1.38 1.90 4.20 -1.19 -1.37 115.11 118.11 1r9f h GLN 142 Ca 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1r9f h GLN 142 Cb 0.08 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1r9f h GLN 142 CO -0.00 0.59 0.00 0.39 -0.67 0.00 0.00 178.83 179.13 1r9f n GLU 143 N -4.62 0.33 0.00 1.46 -0.58 -0.59 -1.77 120.64 114.88 1r9f n GLU 143 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1r9f n GLU 143 Cb 0.06 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1r9f n GLU 143 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r9f n LEU 145 N 0.72 0.00 -4.33 -4.62 4.77 -0.52 -4.94 117.00 108.09 1r9f n LEU 145 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1r9f n LEU 145 Cb 0.15 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1r9f n LEU 145 CO 0.00 0.00 -0.13 -1.10 -1.33 0.00 0.00 177.39 174.83 1r9f s GLN 146 N 0.00 2.74 0.00 3.23 -0.21 -0.73 -4.93 119.66 119.76 1r9f s GLN 146 Ca 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1r9f s GLN 146 Cb 0.00 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.25 1r9f s GLN 146 CO 0.00 -0.81 0.24 0.00 -2.12 0.00 0.00 175.29 172.60