#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtx s TRP 22 N 0.00 2.30 0.64 4.31 0.52 -1.26 -4.98 118.94 120.47 3mtx s TRP 22 Ca 0.00 1.56 -0.15 0.00 0.02 0.00 0.00 56.10 57.53 3mtx s TRP 22 Cb 0.00 -3.41 -0.01 0.00 -1.15 0.00 0.00 33.47 28.90 3mtx s TRP 22 CO 0.00 -2.26 1.09 -1.25 0.02 0.00 0.00 176.95 174.55 3mtx s PRO 23 N -3.74 2.99 -0.21 4.98 0.04 -1.26 -4.87 135.00 132.92 3mtx s PRO 23 Ca 0.74 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 3mtx s PRO 23 Cb -0.28 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3mtx s PRO 23 CO 0.40 -1.09 0.49 0.99 0.04 0.00 0.00 177.00 177.83 3mtx s THR 24 N -2.42 5.12 -0.13 1.26 2.01 -1.26 -4.56 115.64 115.66 3mtx s THR 24 Ca 0.65 0.89 -0.09 0.00 0.31 0.00 0.00 61.69 63.46 3mtx s THR 24 Cb -0.19 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3mtx s THR 24 CO 0.41 0.17 0.17 -1.00 -0.69 0.00 0.00 174.62 173.68 3mtx s HIS 25 N 1.72 3.57 -0.14 4.92 3.76 0.77 -4.91 115.29 124.98 3mtx s HIS 25 Ca 0.22 0.54 -0.27 0.00 -0.15 0.00 0.00 55.06 55.40 3mtx s HIS 25 Cb -0.15 -2.03 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 3mtx s HIS 25 CO 0.09 0.62 0.92 0.99 -0.85 0.00 0.00 174.74 176.52 3mtx s THR 26 N -0.70 4.83 -0.25 1.30 2.01 -1.26 -1.55 115.64 120.01 3mtx s THR 26 Ca 0.15 1.85 -0.08 0.00 0.31 0.00 0.00 61.69 63.92 3mtx s THR 26 Cb -0.12 -4.23 -0.12 0.00 0.01 0.00 0.00 72.50 68.03 3mtx s THR 26 CO 0.04 0.01 -0.28 0.52 -0.69 0.00 0.00 174.62 174.22 3mtx n VAL 27 N 4.64 1.37 -3.99 3.82 0.31 0.47 -4.97 118.33 119.98 3mtx n VAL 27 Ca 0.07 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 3mtx n VAL 27 Cb 0.49 -1.66 -0.15 0.00 -0.91 0.00 0.00 33.84 31.61 3mtx n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mtx s LYS 29 N 0.16 0.57 0.38 0.00 2.20 -1.25 -0.55 119.74 121.25 3mtx s LYS 29 Ca -0.01 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 3mtx s LYS 29 Cb -0.03 -0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 3mtx s LYS 29 CO -0.00 -1.12 0.15 -1.83 -0.36 0.00 0.00 175.35 172.18 3mtx s GLU 30 N 2.00 1.85 0.22 4.03 -1.05 0.09 -5.02 118.70 120.82 3mtx s GLU 30 Ca 0.13 -2.11 -0.16 0.00 -0.15 0.00 0.00 54.97 52.68 3mtx s GLU 30 Cb -0.12 -0.44 0.24 0.00 -0.44 0.00 0.00 34.13 33.36 3mtx s GLU 30 CO -0.16 -0.48 1.58 1.49 0.95 0.00 0.00 175.26 178.63 3mtx h GLU 31 N 1.90 -0.06 -0.01 -4.83 4.81 -2.01 -2.00 114.58 112.37 3mtx h GLU 31 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3mtx h GLU 31 Cb 1.26 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3mtx h GLU 31 CO 0.54 -0.04 0.00 0.09 -0.73 0.00 0.00 179.01 178.87 3mtx n ASN 32 N -5.48 2.42 -3.69 1.04 3.02 -1.26 -4.98 115.26 106.32 3mtx n ASN 32 Ca 0.09 -3.08 -0.11 0.00 -0.03 0.00 0.00 54.58 51.45 3mtx n ASN 32 Cb 0.39 -0.43 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 3mtx n ASN 32 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3mtx s LEU 33 N -2.86 -0.08 -0.01 3.41 2.96 -0.75 0.18 118.68 121.53 3mtx s LEU 33 Ca 0.32 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 3mtx s LEU 33 Cb 0.28 1.04 0.00 0.00 0.50 0.00 0.00 46.19 48.02 3mtx s LEU 33 CO 0.03 -0.20 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.22 3mtx s GLU 34 N 1.76 0.33 -0.06 1.98 2.02 0.32 -0.73 118.70 124.33 3mtx s GLU 34 Ca -0.06 -0.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 3mtx s GLU 34 Cb -0.10 -0.35 0.04 0.00 0.10 0.00 0.00 34.13 33.81 3mtx s GLU 34 CO -0.11 0.04 0.12 0.42 0.02 0.00 0.00 175.26 175.75 3mtx s ILE 35 N 0.13 -0.07 0.11 -1.63 1.01 0.28 0.07 121.20 121.09 3mtx s ILE 35 Ca -0.01 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.91 3mtx s ILE 35 Cb -0.04 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 3mtx s ILE 35 CO -0.00 0.09 -0.13 -0.31 0.00 0.00 0.00 174.94 174.58 3mtx s TYR 36 N 1.30 1.30 0.06 3.97 2.02 -0.29 -0.39 117.35 125.32 3mtx s TYR 36 Ca -0.07 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 3mtx s TYR 36 Cb -0.12 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 3mtx s TYR 36 CO -0.05 0.10 -0.08 1.52 -1.57 0.00 0.00 175.55 175.47 3mtx s TYR 37 N -2.17 0.77 -0.04 2.71 -0.85 -0.60 -0.49 117.35 116.69 3mtx s TYR 37 Ca 0.07 -0.60 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 3mtx s TYR 37 Cb -0.05 -0.45 0.02 0.00 0.38 0.00 0.00 41.96 41.87 3mtx s TYR 37 CO 0.02 -0.09 -0.03 0.21 -1.52 0.00 0.00 175.55 174.14 3mtx s LYS 38 N -2.18 0.64 0.22 -3.49 2.20 -0.84 -0.16 119.74 116.13 3mtx s LYS 38 Ca -0.04 -0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.21 3mtx s LYS 38 Cb -0.06 -0.70 -0.10 0.00 -1.51 0.00 0.00 37.83 35.46 3mtx s LYS 38 CO -0.01 -0.08 1.54 0.45 -0.36 0.00 0.00 175.35 176.89 3mtx s SER 39 N 0.88 6.56 -0.05 1.43 0.15 -1.26 -1.53 113.70 119.87 3mtx s SER 39 Ca -0.11 2.70 0.18 0.00 0.70 0.00 0.00 55.95 59.43 3mtx s SER 39 Cb -0.14 -2.61 0.59 0.00 -1.71 0.00 0.00 66.02 62.15 3mtx s SER 39 CO -0.00 -0.81 1.50 0.00 1.20 0.00 0.00 173.24 175.13 3mtx s ASP 41 N -1.03 6.60 0.56 0.00 -1.08 -1.24 -4.89 116.67 115.59 3mtx s ASP 41 Ca 0.43 0.60 0.34 0.00 -0.52 0.00 0.00 52.55 53.40 3mtx s ASP 41 Cb 0.26 -2.37 1.55 0.00 -1.46 0.00 0.00 42.92 40.89 3mtx s ASP 41 CO 0.25 -0.54 2.06 1.55 0.52 0.00 0.00 175.17 179.01 3mtx h PRO 42 N 8.10 0.00 -0.35 4.34 0.13 -1.96 -2.92 132.00 139.34 3mtx h PRO 42 Ca -0.25 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.73 3mtx h PRO 42 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3mtx h PRO 42 CO 0.84 0.05 -0.37 1.96 -0.23 0.00 0.00 178.00 180.26 3mtx h GLN 43 N 0.00 0.81 -2.99 0.86 1.08 -2.00 -3.48 115.11 109.39 3mtx h GLN 43 Ca -0.00 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 3mtx h GLN 43 Cb 0.40 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.73 3mtx h GLN 43 CO 0.01 1.04 0.22 1.14 -0.95 0.00 0.00 178.83 180.29 3mtx s GLN 44 N -4.38 1.38 0.75 1.46 -2.07 -1.10 -5.16 119.66 110.53 3mtx s GLN 44 Ca -0.10 -0.58 -0.01 0.00 -1.82 0.00 0.00 55.36 52.85 3mtx s GLN 44 Cb 0.12 0.59 0.14 0.00 -1.09 0.00 0.00 33.01 32.77 3mtx s GLN 44 CO 0.86 -0.61 1.03 0.34 -1.32 0.00 0.00 175.29 175.59 3mtx s ASP 45 N -2.78 4.19 0.22 12.60 -1.08 -1.26 -4.45 116.67 124.11 3mtx s ASP 45 Ca 0.03 -0.39 -0.16 0.00 -0.52 0.00 0.00 52.55 51.51 3mtx s ASP 45 Cb -0.02 0.09 0.01 0.00 -1.46 0.00 0.00 42.92 41.54 3mtx s ASP 45 CO -0.09 -1.98 0.51 0.72 0.52 0.00 0.00 175.17 174.86 3mtx s PHE 46 N -3.21 0.08 -0.09 -5.34 -0.12 -1.26 -4.81 117.98 103.23 3mtx s PHE 46 Ca 0.68 -0.45 -0.03 0.00 -0.05 0.00 0.00 56.93 57.08 3mtx s PHE 46 Cb -0.05 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3mtx s PHE 46 CO 0.45 -0.97 0.05 0.00 -0.05 0.00 0.00 175.22 174.70 3mtx s ALA 47 N -3.94 3.50 -0.22 1.99 0.00 -0.47 -4.99 121.76 117.64 3mtx s ALA 47 Ca 0.15 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 3mtx s ALA 47 Cb -0.01 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.53 3mtx s ALA 47 CO 0.03 0.61 0.54 0.12 0.00 0.00 0.00 175.76 177.05 3mtx s PHE 48 N -0.95 -0.75 0.03 0.00 2.19 -1.26 -1.59 117.98 115.65 3mtx s PHE 48 Ca 0.14 1.61 -0.01 0.00 0.33 0.00 0.00 56.93 59.00 3mtx s PHE 48 Cb -0.12 0.37 -0.02 0.00 -1.31 0.00 0.00 43.02 41.94 3mtx s PHE 48 CO 0.04 -0.39 -0.00 0.45 1.83 0.00 0.00 175.22 177.14 3mtx s SER 49 N 1.17 0.27 -0.14 6.13 0.15 0.41 -4.92 113.70 116.76 3mtx s SER 49 Ca -0.07 -0.58 -0.00 0.00 0.70 0.00 0.00 55.95 55.99 3mtx s SER 49 Cb -0.06 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 3mtx s SER 49 CO -0.11 -0.39 -0.12 -0.63 1.20 0.00 0.00 173.24 173.18 3mtx s ILE 50 N -2.09 3.06 0.19 6.45 1.01 -1.26 -1.12 121.20 127.44 3mtx s ILE 50 Ca -0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3mtx s ILE 50 Cb -0.05 -2.29 0.09 0.00 0.01 0.00 0.00 42.46 40.22 3mtx s ILE 50 CO -0.03 0.52 1.68 0.44 0.00 0.00 0.00 174.94 177.54 3mtx h ASP 51 N 6.84 1.07 -3.07 3.58 3.32 -1.60 -3.39 116.42 123.16 3mtx h ASP 51 Ca -0.27 -0.27 -0.50 0.00 0.02 0.00 0.00 57.03 56.01 3mtx h ASP 51 Cb 1.21 -0.28 -0.40 0.00 0.22 0.00 0.00 39.33 40.07 3mtx h ASP 51 CO 0.56 1.07 -0.76 -0.60 -1.72 0.00 0.00 179.24 177.79 3mtx s ARG 52 N -5.18 0.29 0.21 3.56 3.52 -1.26 -5.06 118.95 115.04 3mtx s ARG 52 Ca -0.12 -0.32 -0.09 0.00 -0.13 0.00 0.00 55.73 55.07 3mtx s ARG 52 Cb 0.14 -1.80 0.24 0.00 -1.56 0.00 0.00 34.95 31.97 3mtx s ARG 52 CO 0.85 -0.74 1.81 0.00 -0.81 0.00 0.00 175.30 176.40 3mtx h SER 54 N 0.67 0.00 0.68 0.00 4.64 -1.98 -1.67 113.55 115.89 3mtx h SER 54 Ca 0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3mtx h SER 54 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3mtx h SER 54 CO -0.18 0.00 -0.03 0.44 -0.87 0.00 0.00 176.83 176.19 3mtx h ASP 55 N 0.00 0.00 -0.30 4.97 3.32 -1.62 -2.84 116.42 119.95 3mtx h ASP 55 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 3mtx h ASP 55 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3mtx h ASP 55 CO 0.00 0.03 0.24 -0.37 -1.72 0.00 0.00 179.24 177.42 3mtx h VAL 56 N 0.00 0.72 0.00 -1.35 -1.51 -1.46 -0.45 116.25 112.20 3mtx h VAL 56 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3mtx h VAL 56 Cb 0.38 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 3mtx h VAL 56 CO 0.00 0.00 -0.01 0.71 -1.23 0.00 0.00 177.57 177.04 3mtx h THR 57 N 0.00 0.05 -0.01 7.19 1.35 -1.73 -1.95 112.91 117.81 3mtx h THR 57 Ca 0.14 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3mtx h THR 57 Cb 0.62 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3mtx h THR 57 CO -0.00 0.01 -0.17 0.35 -0.25 0.00 0.00 175.52 175.46 3mtx n THR 58 N -3.13 0.00 -0.30 6.82 -2.24 -0.18 -4.94 114.28 110.31 3mtx n THR 58 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3mtx n THR 58 Cb 0.21 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3mtx n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mtx n HIS 59 N -0.08 0.00 -4.72 4.78 1.44 -0.73 -4.94 115.22 110.97 3mtx n HIS 59 Ca 0.14 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.53 3mtx n HIS 59 Cb 0.39 -0.75 -0.17 0.00 0.12 0.00 0.00 29.99 29.58 3mtx n HIS 59 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3mtx s THR 60 N -1.93 2.00 0.06 0.61 2.01 -1.26 -2.20 115.64 114.93 3mtx s THR 60 Ca 0.00 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 3mtx s THR 60 Cb 0.00 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.77 3mtx s THR 60 CO 0.00 0.54 0.34 0.72 -0.69 0.00 0.00 174.62 175.53 3mtx s PHE 61 N 0.77 -0.15 -0.04 4.92 -0.71 -0.85 -4.69 117.98 117.23 3mtx s PHE 61 Ca -0.09 -0.01 -0.17 0.00 -1.04 0.00 0.00 56.93 55.63 3mtx s PHE 61 Cb -0.16 0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.74 3mtx s PHE 61 CO -0.00 -0.56 0.47 -0.51 -1.34 0.00 0.00 175.22 173.28 3mtx s ASP 62 N -2.21 6.81 0.26 1.98 1.01 -1.26 -0.77 116.67 122.49 3mtx s ASP 62 Ca -0.03 0.96 0.06 0.00 0.71 0.00 0.00 52.55 54.25 3mtx s ASP 62 Cb -0.00 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.59 3mtx s ASP 62 CO -0.05 0.18 -0.06 0.27 0.21 0.00 0.00 175.17 175.72 3mtx s ILE 63 N -0.37 1.55 -0.05 0.77 -4.36 -0.41 -1.43 121.20 116.90 3mtx s ILE 63 Ca 0.26 -2.12 0.05 0.00 -0.26 0.00 0.00 60.65 58.58 3mtx s ILE 63 Cb -0.17 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 3mtx s ILE 63 CO 0.13 -0.33 -0.19 -0.13 0.24 0.00 0.00 174.94 174.66 3mtx s ARG 64 N -3.74 1.98 -0.02 0.37 1.81 -0.27 -1.50 118.95 117.57 3mtx s ARG 64 Ca 0.29 -0.68 -0.09 0.00 -1.72 0.00 0.00 55.73 53.52 3mtx s ARG 64 Cb 0.04 -1.71 0.01 0.00 -0.45 0.00 0.00 34.95 32.84 3mtx s ARG 64 CO 0.11 0.28 0.20 0.00 -0.68 0.00 0.00 175.30 175.21 3mtx s ALA 65 N -0.01 -0.50 -0.08 2.13 0.00 0.45 -0.45 121.76 123.30 3mtx s ALA 65 Ca -0.04 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 3mtx s ALA 65 Cb -0.12 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3mtx s ALA 65 CO 0.03 -0.20 0.20 0.00 0.00 0.00 0.00 175.76 175.79 3mtx s ALA 66 N -1.01 -0.48 0.06 0.00 0.00 -0.62 -1.01 121.76 118.69 3mtx s ALA 66 Ca -0.11 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 3mtx s ALA 66 Cb -0.06 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.73 3mtx s ALA 66 CO 0.02 -0.12 0.57 0.00 0.00 0.00 0.00 175.76 176.23 3mtx s MET 67 N 0.41 1.12 -0.05 0.00 0.23 -0.43 -1.37 119.30 119.21 3mtx s MET 67 Ca -0.03 -0.22 -0.26 0.00 -1.03 0.00 0.00 55.69 54.15 3mtx s MET 67 Cb -0.04 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.74 3mtx s MET 67 CO -0.02 -0.42 0.82 0.08 -2.03 0.00 0.00 175.02 173.45 3mtx s VAL 68 N -2.63 4.96 -0.21 5.16 1.01 -1.26 0.28 120.40 127.71 3mtx s VAL 68 Ca -0.04 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.36 3mtx s VAL 68 Cb -0.01 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3mtx s VAL 68 CO -0.03 0.20 0.98 -0.22 0.00 0.00 0.00 175.10 176.02 3mtx s LEU 69 N 1.00 4.13 0.00 3.92 2.96 -0.06 -4.91 118.68 125.71 3mtx s LEU 69 Ca 0.43 1.32 0.19 0.00 -0.22 0.00 0.00 54.13 55.85 3mtx s LEU 69 Cb -0.19 -3.45 0.08 0.00 0.50 0.00 0.00 46.19 43.13 3mtx s LEU 69 CO 0.21 -0.58 1.04 0.54 -1.32 0.00 0.00 176.35 176.24 3mtx n ARG 70 N 5.95 1.63 -4.16 1.98 5.12 -1.26 -0.19 116.66 125.73 3mtx n ARG 70 Ca 0.10 -1.30 -0.12 0.00 -1.93 0.00 0.00 57.85 54.60 3mtx n ARG 70 Cb 0.47 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 30.30 3mtx n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3mtx s GLN 71 N -1.88 0.80 0.50 5.56 -1.52 -1.26 -4.84 119.66 117.03 3mtx s GLN 71 Ca 0.19 -1.21 -0.23 0.00 -1.95 0.00 0.00 55.36 52.16 3mtx s GLN 71 Cb 0.16 -0.31 -0.06 0.00 -0.22 0.00 0.00 33.01 32.57 3mtx s GLN 71 CO 0.35 0.02 1.40 0.45 -0.25 0.00 0.00 175.29 177.26 3mtx s SER 72 N -2.68 5.54 -0.25 5.90 0.15 -1.26 -4.31 113.70 116.79 3mtx s SER 72 Ca 0.07 2.86 0.09 0.00 0.70 0.00 0.00 55.95 59.67 3mtx s SER 72 Cb 0.01 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 62.11 3mtx s SER 72 CO -0.03 -1.40 1.20 2.30 1.20 0.00 0.00 173.24 176.52 3mtx n ILE 73 N -0.63 2.35 -0.29 6.45 -5.35 -1.26 -4.72 119.36 115.91 3mtx n ILE 73 Ca 0.08 -3.73 0.11 0.00 -0.27 0.00 0.00 62.75 58.94 3mtx n ILE 73 Cb 0.43 -0.68 0.26 0.00 -1.74 0.00 0.00 39.64 37.92 3mtx n ILE 73 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3mtx h LYS 74 N 1.63 0.28 -6.58 6.28 1.63 -1.93 -3.32 116.57 114.57 3mtx h LYS 74 Ca 0.19 -0.02 -0.70 0.00 -0.85 0.00 0.00 60.65 59.27 3mtx h LYS 74 Cb 1.29 -0.06 -0.28 0.00 -0.60 0.00 0.00 32.23 32.58 3mtx h LYS 74 CO 0.40 0.19 -0.86 -1.21 -3.45 0.00 0.00 179.45 174.51 3mtx s GLU 75 N -5.95 2.13 -0.06 1.90 2.02 -1.26 -4.10 118.70 113.38 3mtx s GLU 75 Ca -0.12 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 53.96 3mtx s GLU 75 Cb 0.24 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.39 3mtx s GLU 75 CO 0.77 0.56 -0.07 -1.17 0.02 0.00 0.00 175.26 175.38 3mtx s LEU 76 N -0.78 1.34 0.01 1.80 2.96 -0.68 -2.76 118.68 120.58 3mtx s LEU 76 Ca 0.11 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 3mtx s LEU 76 Cb -0.10 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 3mtx s LEU 76 CO 0.00 -0.05 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.48 3mtx s TYR 77 N 1.01 1.73 -0.01 5.38 2.02 0.16 -0.17 117.35 127.48 3mtx s TYR 77 Ca -0.09 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 3mtx s TYR 77 Cb -0.14 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 3mtx s TYR 77 CO -0.00 0.02 -0.16 0.00 -1.57 0.00 0.00 175.55 173.84 3mtx s ALA 78 N -0.62 2.62 -0.10 3.71 0.00 0.94 -1.26 121.76 127.05 3mtx s ALA 78 Ca 0.07 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3mtx s ALA 78 Cb -0.08 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.21 3mtx s ALA 78 CO 0.00 0.57 -0.12 0.21 0.00 0.00 0.00 175.76 176.42 3mtx s LYS 79 N -1.06 1.82 -0.11 0.00 2.20 0.10 -0.85 119.74 121.84 3mtx s LYS 79 Ca 0.13 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 3mtx s LYS 79 Cb -0.11 -1.63 0.01 0.00 -1.51 0.00 0.00 37.83 34.60 3mtx s LYS 79 CO 0.03 -0.10 -0.19 0.08 -0.36 0.00 0.00 175.35 174.81 3mtx s VAL 80 N 1.10 1.76 -0.07 4.02 1.01 0.35 -1.06 120.40 127.51 3mtx s VAL 80 Ca -0.06 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3mtx s VAL 80 Cb -0.14 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 3mtx s VAL 80 CO -0.02 0.49 -0.22 -1.81 0.00 0.00 0.00 175.10 173.55 3mtx s ASP 81 N 0.70 2.75 -0.24 3.32 1.01 0.01 -0.53 116.67 123.69 3mtx s ASP 81 Ca -0.12 -0.47 -0.08 0.00 0.71 0.00 0.00 52.55 52.59 3mtx s ASP 81 Cb -0.16 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.78 3mtx s ASP 81 CO 0.02 0.18 0.10 -0.22 0.21 0.00 0.00 175.17 175.46 3mtx s LEU 82 N 0.11 3.66 -0.11 1.23 2.96 0.64 -1.52 118.68 125.65 3mtx s LEU 82 Ca -0.09 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3mtx s LEU 82 Cb -0.15 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3mtx s LEU 82 CO 0.05 0.00 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.26 3mtx s ILE 83 N 1.40 1.76 -0.07 6.68 1.01 0.30 -0.83 121.20 131.45 3mtx s ILE 83 Ca 0.06 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 3mtx s ILE 83 Cb -0.15 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3mtx s ILE 83 CO 0.05 0.49 0.01 -0.63 0.00 0.00 0.00 174.94 174.86 3mtx s ILE 84 N 0.67 0.29 -1.44 2.92 1.01 -0.37 -1.10 121.20 123.19 3mtx s ILE 84 Ca -0.12 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 3mtx s ILE 84 Cb -0.16 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 41.89 3mtx s ILE 84 CO 0.03 0.24 0.83 0.59 0.00 0.00 0.00 174.94 176.63 3mtx n ASN 85 N 5.18 -3.03 0.00 3.58 3.02 -1.26 -1.37 115.26 121.38 3mtx n ASN 85 Ca -0.06 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3mtx n ASN 85 Cb 0.50 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 3mtx n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mtx n GLY 86 N -1.66 2.10 3.72 7.41 0.00 -1.26 -5.00 105.19 110.50 3mtx n GLY 86 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3mtx n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtx s LYS 87 N -0.04 4.13 -0.48 1.61 3.01 -0.47 -5.05 119.74 122.45 3mtx s LYS 87 Ca 0.00 -0.24 -0.28 0.00 -1.01 0.00 0.00 55.97 54.44 3mtx s LYS 87 Cb 0.00 -3.38 0.01 0.00 -1.01 0.00 0.00 37.83 33.45 3mtx s LYS 87 CO 0.00 0.31 1.36 0.99 0.51 0.00 0.00 175.35 178.53 3mtx s THR 88 N 0.31 3.91 -0.22 2.17 2.01 -1.26 -1.23 115.64 121.33 3mtx s THR 88 Ca 0.07 0.88 0.22 0.00 0.31 0.00 0.00 61.69 63.18 3mtx s THR 88 Cb -0.11 -4.37 -0.17 0.00 0.01 0.00 0.00 72.50 67.86 3mtx s THR 88 CO -0.01 -0.96 0.79 1.33 -0.69 0.00 0.00 174.62 175.08 3mtx n VAL 89 N 6.96 0.27 -3.67 3.82 0.24 -0.01 -4.94 118.33 121.00 3mtx n VAL 89 Ca 0.14 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 3mtx n VAL 89 Cb 0.49 -0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.70 3mtx n VAL 89 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3mtx s LEU 90 N -4.72 -0.27 -0.09 1.34 0.20 -1.21 -4.99 118.68 108.94 3mtx s LEU 90 Ca -0.03 1.18 -0.07 0.00 0.69 0.00 0.00 54.13 55.90 3mtx s LEU 90 Cb 0.12 2.04 0.03 0.00 -0.43 0.00 0.00 46.19 47.95 3mtx s LEU 90 CO 0.85 -0.21 0.23 -0.55 -0.29 0.00 0.00 176.35 176.37 3mtx s SER 91 N 0.28 -0.24 0.06 3.68 0.15 -1.26 -0.26 113.70 116.10 3mtx s SER 91 Ca -0.00 0.47 -0.03 0.00 0.70 0.00 0.00 55.95 57.09 3mtx s SER 91 Cb -0.04 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 3mtx s SER 91 CO 0.01 -0.11 0.03 -0.72 1.20 0.00 0.00 173.24 173.66 3mtx s TYR 92 N 0.47 0.39 -0.01 3.44 -0.85 0.31 -4.99 117.35 116.12 3mtx s TYR 92 Ca -0.03 -0.87 0.04 0.00 -0.52 0.00 0.00 57.07 55.69 3mtx s TYR 92 Cb -0.04 -0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 3mtx s TYR 92 CO -0.02 -0.41 -0.12 -1.12 -1.52 0.00 0.00 175.55 172.36 3mtx s SER 93 N -2.75 1.43 -0.01 -0.18 0.01 -1.26 -0.50 113.70 110.45 3mtx s SER 93 Ca 0.04 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.10 3mtx s SER 93 Cb 0.05 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 3mtx s SER 93 CO -0.09 0.14 -0.06 -0.70 0.41 0.00 0.00 173.24 172.95 3mtx s GLU 94 N -0.24 0.49 -0.19 12.44 2.56 -0.03 -4.97 118.70 128.76 3mtx s GLU 94 Ca 0.04 -0.19 -0.21 0.00 0.00 0.00 0.00 54.97 54.60 3mtx s GLU 94 Cb -0.05 -0.48 -0.02 0.00 2.00 0.00 0.00 34.13 35.58 3mtx s GLU 94 CO -0.00 0.10 0.66 0.99 -0.56 0.00 0.00 175.26 176.45 3mtx s THR 95 N -0.04 5.01 -0.22 -1.70 2.01 -1.26 -0.04 115.64 119.40 3mtx s THR 95 Ca 0.01 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.24 3mtx s THR 95 Cb -0.03 -3.97 -0.20 0.00 0.01 0.00 0.00 72.50 68.31 3mtx s THR 95 CO -0.00 0.11 -0.05 0.18 -0.69 0.00 0.00 174.62 174.17 3mtx n LEU 96 N 5.00 2.78 -3.95 4.42 4.77 0.76 -4.78 117.00 126.00 3mtx n LEU 96 Ca -0.01 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 3mtx n LEU 96 Cb 0.50 -0.97 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 3mtx n LEU 96 CO 0.45 0.87 -0.39 0.00 -1.33 0.00 0.00 177.39 176.98 3mtx n GLY 98 N 2.83 0.19 3.67 0.00 0.00 -1.26 -1.68 105.19 108.95 3mtx n GLY 98 Ca -0.14 -1.00 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 3mtx n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mtx n PRO 99 N -0.37 2.49 -1.00 1.61 -0.02 -1.26 -1.43 135.00 135.02 3mtx n PRO 99 Ca 0.00 0.91 -0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3mtx n PRO 99 Cb 0.00 -2.80 -0.00 0.00 -0.02 0.00 0.00 33.50 30.68 3mtx n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mtx n GLY 100 N 4.42 0.18 0.61 -1.23 0.00 -1.26 -4.81 105.19 103.11 3mtx n GLY 100 Ca 0.21 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 3mtx n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mtx n LEU 101 N -0.02 0.86 -4.64 0.99 4.77 -0.51 -5.08 117.00 113.37 3mtx n LEU 101 Ca -0.00 -1.82 -0.41 0.00 -0.03 0.00 0.00 56.01 53.74 3mtx n LEU 101 Cb 0.33 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3mtx n LEU 101 CO 0.00 0.47 0.54 -0.44 -1.33 0.00 0.00 177.39 176.64 3mtx s SER 102 N -1.73 6.76 -0.03 -1.43 0.01 -1.20 -4.03 113.70 112.05 3mtx s SER 102 Ca 0.16 0.94 0.19 0.00 1.31 0.00 0.00 55.95 58.55 3mtx s SER 102 Cb 0.16 -2.40 -0.30 0.00 0.21 0.00 0.00 66.02 63.69 3mtx s SER 102 CO -0.03 -0.43 0.42 0.29 0.41 0.00 0.00 173.24 173.89 3mtx n LYS 103 N 5.72 0.59 -5.20 12.44 5.02 -0.07 -4.96 118.16 131.69 3mtx n LYS 103 Ca 0.03 -0.17 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 3mtx n LYS 103 Cb 0.48 -1.46 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 3mtx n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mtx s LEU 104 N -4.34 2.20 0.47 -0.35 1.43 -1.25 -5.03 118.68 111.81 3mtx s LEU 104 Ca -0.07 -0.43 0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3mtx s LEU 104 Cb 0.12 -1.40 1.10 0.00 0.03 0.00 0.00 46.19 46.04 3mtx s LEU 104 CO 0.80 0.30 2.10 -0.29 0.23 0.00 0.00 176.35 179.49 3mtx h ILE 105 N 4.65 1.03 0.00 -0.59 6.09 -1.97 -1.13 117.51 125.59 3mtx h ILE 105 Ca -0.40 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 3mtx h ILE 105 Cb 1.14 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.20 3mtx h ILE 105 CO 0.48 0.04 0.00 2.22 -3.07 0.00 0.00 178.15 177.82 3mtx n PHE 106 N -4.51 0.00 -1.50 2.19 1.16 -1.26 -4.79 117.46 108.75 3mtx n PHE 106 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.17 3mtx n PHE 106 Cb 0.11 -0.16 0.01 0.00 -1.61 0.00 0.00 39.48 37.82 3mtx n PHE 106 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3mtx n GLY 108 N 1.61 0.80 3.76 0.00 0.00 -1.26 -5.03 105.19 105.07 3mtx n GLY 108 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3mtx n GLY 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mtx n LYS 109 N -2.00 2.39 -2.31 1.61 4.76 -0.89 -4.99 118.16 116.73 3mtx n LYS 109 Ca 0.00 0.85 -0.31 0.00 -2.87 0.00 0.00 58.31 55.97 3mtx n LYS 109 Cb 0.00 -2.62 -0.02 0.00 -1.84 0.00 0.00 35.03 30.55 3mtx n LYS 109 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3mtx s LYS 110 N -2.29 3.82 0.18 1.97 -0.14 -1.26 -4.43 119.74 117.59 3mtx s LYS 110 Ca 0.58 0.82 -0.33 0.00 -1.36 0.00 0.00 55.97 55.67 3mtx s LYS 110 Cb -0.47 -2.16 -0.15 0.00 -1.68 0.00 0.00 37.83 33.38 3mtx s LYS 110 CO 0.60 -0.33 1.38 1.17 -0.76 0.00 0.00 175.35 177.41 3mtx n LYS 111 N -1.90 1.69 0.00 1.68 4.81 -1.26 -1.87 118.16 121.30 3mtx n LYS 111 Ca 0.06 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 3mtx n LYS 111 Cb 0.54 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3mtx n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mtx n GLY 112 N 2.51 0.98 3.79 3.14 0.00 0.73 -5.02 105.19 111.31 3mtx n GLY 112 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3mtx n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mtx s GLU 113 N -0.83 3.59 -0.27 1.61 0.41 -0.78 -4.69 118.70 117.73 3mtx s GLU 113 Ca 0.00 1.43 -0.22 0.00 -0.41 0.00 0.00 54.97 55.77 3mtx s GLU 113 Cb 0.00 -2.06 -0.01 0.00 -1.78 0.00 0.00 34.13 30.28 3mtx s GLU 113 CO 0.00 -0.62 0.71 -1.01 -0.49 0.00 0.00 175.26 173.85 3mtx s HIS 114 N -1.97 3.26 -0.10 1.61 3.76 -1.26 -0.88 115.29 119.71 3mtx s HIS 114 Ca 0.69 0.86 -0.13 0.00 -0.15 0.00 0.00 55.06 56.33 3mtx s HIS 114 Cb -0.19 -2.98 -0.05 0.00 1.11 0.00 0.00 32.58 30.47 3mtx s HIS 114 CO 0.24 -0.41 0.31 -1.17 -0.85 0.00 0.00 174.74 172.87 3mtx s LEU 115 N 2.69 4.35 -0.08 0.89 0.20 0.14 -4.95 118.68 121.91 3mtx s LEU 115 Ca 0.29 0.67 0.01 0.00 0.69 0.00 0.00 54.13 55.80 3mtx s LEU 115 Cb -0.15 -2.41 0.02 0.00 -0.43 0.00 0.00 46.19 43.22 3mtx s LEU 115 CO 0.09 0.23 -0.11 -0.31 -0.29 0.00 0.00 176.35 175.96 3mtx s TYR 116 N -0.32 1.53 -0.09 5.38 1.51 -1.26 -1.32 117.35 122.78 3mtx s TYR 116 Ca 0.19 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3mtx s TYR 116 Cb -0.14 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 3mtx s TYR 116 CO 0.07 -0.37 -0.20 -0.47 -1.11 0.00 0.00 175.55 173.47 3mtx s TYR 117 N 1.00 2.22 -0.10 2.71 5.04 -0.18 -5.01 117.35 123.04 3mtx s TYR 117 Ca -0.08 -0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 53.64 3mtx s TYR 117 Cb -0.15 -1.52 0.02 0.00 0.35 0.00 0.00 41.96 40.67 3mtx s TYR 117 CO -0.00 -0.39 -0.06 -1.21 -1.34 0.00 0.00 175.55 172.55 3mtx s GLU 118 N 0.48 1.30 0.00 4.97 2.02 -1.26 -0.41 118.70 125.79 3mtx s GLU 118 Ca -0.17 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.64 3mtx s GLU 118 Cb -0.17 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.67 3mtx s GLU 118 CO 0.07 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.52 3mtx n GLY 119 N 4.83 -1.55 3.79 -1.39 0.00 -0.57 -5.00 105.19 105.30 3mtx n GLY 119 Ca -0.13 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 3mtx n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mtx s PRO 120 N -1.97 3.13 -0.04 1.61 0.04 -1.26 -1.29 135.00 135.21 3mtx s PRO 120 Ca 0.00 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.30 3mtx s PRO 120 Cb 0.00 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3mtx s PRO 120 CO 0.00 -0.97 -0.07 0.42 0.04 0.00 0.00 177.00 176.42 3mtx s ILE 121 N -2.46 0.74 -0.17 0.56 -1.09 0.05 -4.86 121.20 113.97 3mtx s ILE 121 Ca 0.64 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 3mtx s ILE 121 Cb -0.17 -0.71 0.04 0.00 -1.58 0.00 0.00 42.46 40.04 3mtx s ILE 121 CO 0.40 0.26 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.38 3mtx s THR 122 N 0.66 1.44 -0.07 2.92 2.01 -1.26 -2.01 115.64 119.33 3mtx s THR 122 Ca -0.11 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 3mtx s THR 122 Cb -0.13 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3mtx s THR 122 CO 0.01 0.23 0.56 -0.76 -0.69 0.00 0.00 174.62 173.98 3mtx s LEU 123 N 1.50 4.33 -0.03 4.42 1.43 -0.93 -4.96 118.68 124.43 3mtx s LEU 123 Ca 0.01 1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3mtx s LEU 123 Cb -0.15 -2.85 -0.11 0.00 0.03 0.00 0.00 46.19 43.11 3mtx s LEU 123 CO -0.09 0.01 2.78 0.61 0.23 0.00 0.00 176.35 179.89 3mtx n GLY 124 N 2.97 2.87 3.56 -3.19 0.00 -1.26 -4.82 105.19 105.32 3mtx n GLY 124 Ca -0.06 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 3mtx n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtx s ILE 125 N 0.27 4.53 0.00 -0.61 1.01 -1.26 -5.05 121.20 120.09 3mtx s ILE 125 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3mtx s ILE 125 Cb 0.17 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3mtx s ILE 125 CO -0.01 0.43 0.50 1.17 0.00 0.00 0.00 174.94 177.03 3mtx n LYS 126 N 3.94 0.00 -2.75 2.79 4.81 -1.26 -4.19 118.16 121.49 3mtx n LYS 126 Ca -0.16 0.35 -0.42 0.00 -0.87 0.00 0.00 58.31 57.20 3mtx n LYS 126 Cb 0.52 -1.15 -0.03 0.00 0.02 0.00 0.00 35.03 34.39 3mtx n LYS 126 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3mtx s GLU 127 N -1.71 3.31 0.00 1.64 2.02 -1.26 -4.97 118.70 117.73 3mtx s GLU 127 Ca 0.00 -0.93 -0.34 0.00 0.02 0.00 0.00 54.97 53.72 3mtx s GLU 127 Cb 0.00 -4.55 -0.13 0.00 0.10 0.00 0.00 34.13 29.56 3mtx s GLU 127 CO 0.00 -1.95 1.77 -0.89 0.02 0.00 0.00 175.26 174.20 3mtx n ILE 128 N 6.11 0.37 -2.65 -1.63 -0.00 -1.26 -4.89 119.36 115.41 3mtx n ILE 128 Ca 0.10 -0.07 -0.37 0.00 -0.00 0.00 0.00 62.75 62.41 3mtx n ILE 128 Cb 0.48 -1.74 -0.05 0.00 -0.00 0.00 0.00 39.64 38.33 3mtx n ILE 128 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 3mtx s PRO 129 N 2.90 4.34 0.24 0.38 0.02 -1.26 -5.06 135.00 136.56 3mtx s PRO 129 Ca 0.88 1.42 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 3mtx s PRO 129 Cb -0.69 -2.63 0.05 0.00 0.02 0.00 0.00 34.50 31.25 3mtx s PRO 129 CO 0.47 0.04 0.33 0.00 -0.33 0.00 0.00 177.00 177.50 3mtx n GLN 130 N 0.16 0.03 0.00 5.54 0.00 -1.26 -4.91 117.38 116.95 3mtx n GLN 130 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 57.00 56.36 3mtx n GLN 130 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 30.24 30.46 3mtx n GLN 130 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3mtx n ARG 131 N -1.65 0.00 -4.06 2.61 0.00 -0.80 -4.71 116.66 108.04 3mtx n ARG 131 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.55 3mtx n ARG 131 Cb 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.52 3mtx n ARG 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3mtx s ASP 132 N -4.00 5.32 0.24 2.89 1.01 -1.26 -1.69 116.67 119.19 3mtx s ASP 132 Ca 0.00 -0.03 -0.18 0.00 0.71 0.00 0.00 52.55 53.05 3mtx s ASP 132 Cb 0.00 -1.91 0.02 0.00 1.01 0.00 0.00 42.92 42.04 3mtx s ASP 132 CO 0.00 0.13 0.61 -0.72 0.21 0.00 0.00 175.17 175.40 3mtx s TYR 133 N 0.60 -0.06 -0.04 4.23 -0.85 -0.58 -4.71 117.35 115.95 3mtx s TYR 133 Ca 0.02 -0.34 0.06 0.00 -0.52 0.00 0.00 57.07 56.29 3mtx s TYR 133 Cb -0.13 0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.69 3mtx s TYR 133 CO 0.02 -1.08 -0.22 0.99 -1.52 0.00 0.00 175.55 173.74 3mtx s THR 134 N -3.92 1.79 -0.22 -3.49 2.01 -0.26 -0.17 115.64 111.38 3mtx s THR 134 Ca 0.13 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 3mtx s THR 134 Cb -0.03 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.98 3mtx s THR 134 CO 0.04 0.51 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 3mtx s ILE 135 N -0.29 2.99 -0.18 1.82 1.01 -0.24 -0.54 121.20 125.77 3mtx s ILE 135 Ca 0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 3mtx s ILE 135 Cb -0.11 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3mtx s ILE 135 CO 0.01 0.39 0.11 -0.89 0.00 0.00 0.00 174.94 174.56 3mtx s THR 136 N 1.40 5.21 -0.09 2.92 2.01 -0.58 0.31 115.64 126.82 3mtx s THR 136 Ca 0.04 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3mtx s THR 136 Cb -0.15 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.03 3mtx s THR 136 CO -0.06 0.48 -0.15 0.00 -0.69 0.00 0.00 174.62 174.20 3mtx s ALA 137 N 0.13 1.59 -0.08 7.40 0.00 -0.17 -0.81 121.76 129.82 3mtx s ALA 137 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3mtx s ALA 137 Cb -0.12 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.29 3mtx s ALA 137 CO -0.00 0.04 -0.13 0.50 0.00 0.00 0.00 175.76 176.16 3mtx s ARG 138 N 0.79 1.85 -0.19 0.00 3.52 -0.22 -0.82 118.95 123.89 3mtx s ARG 138 Ca -0.11 -0.46 -0.09 0.00 -0.13 0.00 0.00 55.73 54.94 3mtx s ARG 138 Cb -0.16 -1.54 -0.05 0.00 -1.56 0.00 0.00 34.95 31.65 3mtx s ARG 138 CO 0.02 0.01 0.11 -0.51 -0.81 0.00 0.00 175.30 174.12 3mtx s LEU 139 N 0.74 4.12 0.20 -0.88 1.43 -0.29 -0.72 118.68 123.27 3mtx s LEU 139 Ca -0.13 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3mtx s LEU 139 Cb -0.16 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3mtx s LEU 139 CO 0.03 0.21 -0.05 0.42 0.23 0.00 0.00 176.35 177.18 3mtx s THR 140 N 0.20 1.16 0.00 5.49 -4.23 -0.39 0.18 115.64 118.05 3mtx s THR 140 Ca 0.08 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3mtx s THR 140 Cb -0.11 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3mtx s THR 140 CO -0.01 -0.51 0.00 -0.46 -0.54 0.00 0.00 174.62 173.11 3mtx n ASN 141 N -0.34 1.08 0.21 3.99 6.94 -0.45 -0.66 115.26 126.02 3mtx n ASN 141 Ca -0.07 -0.73 0.18 0.00 -0.02 0.00 0.00 54.58 53.93 3mtx n ASN 141 Cb 0.62 0.00 0.84 0.00 -2.36 0.00 0.00 39.78 38.88 3mtx n ASN 141 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 3mtx h GLU 142 N 0.00 0.00 -0.54 -3.83 9.09 -1.80 -1.57 114.58 115.93 3mtx h GLU 142 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3mtx h GLU 142 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3mtx h GLU 142 CO 0.00 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.81 3mtx n ASP 143 N -3.56 4.62 -0.58 3.06 8.00 -1.26 -4.92 116.55 121.90 3mtx n ASP 143 Ca 0.02 -2.60 -0.07 0.00 0.71 0.00 0.00 54.79 52.85 3mtx n ASP 143 Cb 0.39 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3mtx n ASP 143 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mtx n ARG 144 N 0.68 -1.80 -2.61 -1.24 3.00 -0.59 -4.97 116.66 109.13 3mtx n ARG 144 Ca 0.24 0.75 -0.38 0.00 -0.01 0.00 0.00 57.85 58.44 3mtx n ARG 144 Cb 0.91 -5.16 -0.05 0.00 0.00 0.00 0.00 32.46 28.16 3mtx n ARG 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mtx s ALA 145 N -1.61 3.26 -0.18 7.54 0.00 -1.26 -4.68 121.76 124.82 3mtx s ALA 145 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 3mtx s ALA 145 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3mtx s ALA 145 CO 0.00 -0.04 1.21 0.99 0.00 0.00 0.00 175.76 177.92 3mtx s THR 146 N -1.41 4.38 -0.12 0.00 2.01 -1.26 -1.34 115.64 117.89 3mtx s THR 146 Ca 0.49 1.67 0.04 0.00 0.31 0.00 0.00 61.69 64.20 3mtx s THR 146 Cb -0.25 -4.08 -0.24 0.00 0.01 0.00 0.00 72.50 67.95 3mtx s THR 146 CO 0.32 -0.15 0.34 0.52 -0.69 0.00 0.00 174.62 174.96 3mtx n VAL 147 N 5.35 1.63 -3.48 3.82 0.31 0.13 -4.88 118.33 121.20 3mtx n VAL 147 Ca 0.13 -0.72 -0.16 0.00 -0.01 0.00 0.00 64.34 63.59 3mtx n VAL 147 Cb 0.45 -1.29 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 3mtx n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mtx s ALA 148 N -2.56 -1.69 -0.21 3.52 0.00 -1.12 -4.78 121.76 114.93 3mtx s ALA 148 Ca -0.17 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 3mtx s ALA 148 Cb 0.07 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.63 3mtx s ALA 148 CO 0.77 -0.53 0.48 0.00 0.00 0.00 0.00 175.76 176.48 3mtx s ALA 150 N 1.79 -0.02 -0.30 0.00 0.00 -0.00 -0.76 121.76 122.48 3mtx s ALA 150 Ca -0.08 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 3mtx s ALA 150 Cb -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3mtx s ALA 150 CO -0.15 -0.16 0.28 -0.51 0.00 0.00 0.00 175.76 175.22 3mtx s ASP 151 N -1.31 6.12 -0.36 0.00 1.01 -0.58 -1.00 116.67 120.54 3mtx s ASP 151 Ca -0.14 -0.03 -0.16 0.00 0.71 0.00 0.00 52.55 52.93 3mtx s ASP 151 Cb -0.08 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 3mtx s ASP 151 CO -0.00 -0.17 0.38 -0.36 0.21 0.00 0.00 175.17 175.23 3mtx s PHE 152 N 1.89 3.20 -0.13 4.23 0.08 0.15 -1.98 117.98 125.42 3mtx s PHE 152 Ca 0.10 -0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.82 3mtx s PHE 152 Cb -0.16 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 3mtx s PHE 152 CO 0.11 -0.51 0.54 0.99 -0.10 0.00 0.00 175.22 176.25 3mtx s THR 153 N 2.04 5.13 -0.06 0.64 2.01 0.36 -1.08 115.64 124.68 3mtx s THR 153 Ca 0.12 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.22 3mtx s THR 153 Cb -0.17 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 3mtx s THR 153 CO 0.12 0.26 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.43 3mtx s VAL 154 N 0.99 1.61 -0.34 3.82 1.01 0.76 -1.14 120.40 127.11 3mtx s VAL 154 Ca 0.28 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3mtx s VAL 154 Cb -0.16 -1.39 0.10 0.00 0.00 0.00 0.00 36.38 34.94 3mtx s VAL 154 CO 0.11 0.46 0.09 -0.54 0.00 0.00 0.00 175.10 175.22 3mtx s LYS 155 N 0.11 1.17 -0.36 2.72 1.02 0.11 -1.52 119.74 122.98 3mtx s LYS 155 Ca -0.07 -1.58 0.01 0.00 0.02 0.00 0.00 55.97 54.35 3mtx s LYS 155 Cb -0.13 -2.66 0.10 0.00 -0.52 0.00 0.00 37.83 34.62 3mtx s LYS 155 CO 0.04 -0.98 0.10 1.21 -0.92 0.00 0.00 175.35 174.80 3mtx s ASN 156 N 1.12 4.94 -0.09 2.83 2.47 -0.68 -0.52 114.94 125.01 3mtx s ASN 156 Ca 0.11 -2.09 0.13 0.00 0.42 0.00 0.00 52.86 51.43 3mtx s ASN 156 Cb -0.19 -1.70 0.33 0.00 -1.45 0.00 0.00 41.25 38.24 3mtx s ASN 156 CO -0.14 -0.43 1.24 -1.22 -3.72 0.00 0.00 177.10 172.83 3mtx n TYR 157 N 4.38 0.44 0.00 0.43 4.01 0.13 -1.91 117.16 124.64 3mtx n TYR 157 Ca 0.01 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 57.00 3mtx n TYR 157 Cb 0.42 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3mtx n TYR 157 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68