#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt3 n GLN 3 N 0.00 0.49 -1.99 -1.24 6.02 -1.26 -5.08 117.38 114.32 1mt3 n GLN 3 Ca 0.00 -1.67 -0.03 0.00 -0.01 0.00 0.00 57.00 55.30 1mt3 n GLN 3 Cb 0.00 -0.85 -0.02 0.00 1.02 0.00 0.00 30.24 30.39 1mt3 n GLN 3 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1mt3 n GLU 4 N -0.49 -2.29 -1.70 -1.09 1.02 -1.26 -4.93 120.64 109.90 1mt3 n GLU 4 Ca 0.06 1.97 -0.37 0.00 -0.02 0.00 0.00 57.16 58.80 1mt3 n GLU 4 Cb 0.71 -2.94 0.07 0.00 -0.02 0.00 0.00 31.44 29.25 1mt3 n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mt3 s ILE 6 N -1.42 4.74 0.04 0.00 2.07 -1.20 -4.95 121.20 120.49 1mt3 s ILE 6 Ca 0.81 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 60.04 1mt3 s ILE 6 Cb -0.39 -3.11 -0.04 0.00 0.13 0.00 0.00 42.46 39.06 1mt3 s ILE 6 CO 0.42 0.50 -0.07 -1.61 -1.91 0.00 0.00 174.94 172.27 1mt3 s GLU 7 N 0.07 2.45 0.19 3.50 2.02 -1.26 -1.21 118.70 124.47 1mt3 s GLU 7 Ca 0.05 -0.81 -0.22 0.00 0.02 0.00 0.00 54.97 54.01 1mt3 s GLU 7 Cb -0.12 -2.46 0.05 0.00 0.10 0.00 0.00 34.13 31.70 1mt3 s GLU 7 CO 0.01 0.57 0.63 1.21 0.02 0.00 0.00 175.26 177.69 1mt3 s ASN 8 N -1.73 -0.46 -0.16 -0.19 3.04 -1.04 -5.02 114.94 109.36 1mt3 s ASN 8 Ca 0.19 -0.19 -0.07 0.00 0.04 0.00 0.00 52.86 52.83 1mt3 s ASN 8 Cb -0.11 0.63 -0.04 0.00 -1.54 0.00 0.00 41.25 40.19 1mt3 s ASN 8 CO 0.11 -1.08 0.06 -0.47 -3.04 0.00 0.00 177.10 172.68 1mt3 s TYR 9 N -3.80 3.28 0.00 0.43 6.04 -1.26 -2.31 117.35 119.73 1mt3 s TYR 9 Ca 0.04 0.14 0.00 0.00 0.04 0.00 0.00 57.07 57.29 1mt3 s TYR 9 Cb -0.02 -2.02 0.00 0.00 -1.04 0.00 0.00 41.96 38.88 1mt3 s TYR 9 CO -0.07 0.26 0.00 0.00 -1.54 0.00 0.00 175.55 174.20 1mt3 n ALA 10 N 3.16 0.00 0.00 3.97 0.00 0.14 -4.94 120.51 122.84 1mt3 n ALA 10 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1mt3 n ALA 10 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1mt3 n ALA 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1mt3 n LYS 11 N 0.00 0.00 0.00 0.00 3.00 -1.23 -4.51 118.16 115.41 1mt3 n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1mt3 n LYS 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1mt3 n LYS 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1mt3 n VAL 12 N 0.00 0.00 -1.50 3.15 0.24 -0.52 -4.82 118.33 114.88 1mt3 n VAL 12 Ca 0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.85 1mt3 n VAL 12 Cb 0.00 -1.48 -0.06 0.00 -1.47 0.00 0.00 33.84 30.83 1mt3 n VAL 12 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1mt3 n ASN 13 N 0.00 2.19 0.00 -1.34 0.23 -1.26 -3.19 115.26 111.89 1mt3 n ASN 13 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 1mt3 n ASN 13 Cb 0.00 -1.35 0.00 0.00 -2.08 0.00 0.00 39.78 36.35 1mt3 n ASN 13 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mt3 n GLY 14 N 6.29 1.61 3.46 4.83 0.00 -1.26 -4.96 105.19 115.16 1mt3 n GLY 14 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 1mt3 n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mt3 s ILE 15 N -0.05 1.61 -0.35 -0.61 -4.36 -1.19 -5.08 121.20 111.16 1mt3 s ILE 15 Ca 0.00 -2.09 -0.22 0.00 -0.26 0.00 0.00 60.65 58.09 1mt3 s ILE 15 Cb 0.00 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1mt3 s ILE 15 CO 0.00 -0.19 0.70 -0.31 0.24 0.00 0.00 174.94 175.38 1mt3 s TYR 16 N -3.02 3.14 -0.12 1.37 1.51 -1.26 -1.44 117.35 117.52 1mt3 s TYR 16 Ca 0.32 0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.85 1mt3 s TYR 16 Cb 0.06 -3.23 -0.02 0.00 -0.11 0.00 0.00 41.96 38.66 1mt3 s TYR 16 CO 0.14 -0.65 -0.13 0.42 -1.11 0.00 0.00 175.55 174.21 1mt3 s ILE 17 N 2.86 3.05 0.11 2.71 -1.09 -1.26 -0.18 121.20 127.40 1mt3 s ILE 17 Ca 0.28 -0.67 -0.24 0.00 -2.23 0.00 0.00 60.65 57.79 1mt3 s ILE 17 Cb -0.14 -2.27 -0.07 0.00 -1.58 0.00 0.00 42.46 38.40 1mt3 s ILE 17 CO 0.15 0.53 0.73 -0.47 -1.23 0.00 0.00 174.94 174.65 1mt3 s TYR 18 N 0.24 3.84 -0.11 3.97 5.04 -1.26 0.27 117.35 129.34 1mt3 s TYR 18 Ca -0.09 1.51 -0.06 0.00 -2.44 0.00 0.00 57.07 56.00 1mt3 s TYR 18 Cb -0.15 -2.73 0.04 0.00 0.35 0.00 0.00 41.96 39.47 1mt3 s TYR 18 CO 0.05 0.46 0.26 1.52 -1.34 0.00 0.00 175.55 176.50 1mt3 s TYR 19 N -0.83 -0.34 -0.26 4.97 1.13 -0.98 -1.80 117.35 119.25 1mt3 s TYR 19 Ca 0.35 0.80 -0.04 0.00 -1.41 0.00 0.00 57.07 56.77 1mt3 s TYR 19 Cb -0.22 0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.72 1mt3 s TYR 19 CO 0.24 -0.22 -0.01 0.21 -2.51 0.00 0.00 175.55 173.25 1mt3 s LYS 20 N 1.08 3.03 -0.37 -3.49 2.20 0.45 -2.51 119.74 120.14 1mt3 s LYS 20 Ca -0.08 -0.86 -0.04 0.00 -0.36 0.00 0.00 55.97 54.63 1mt3 s LYS 20 Cb -0.09 -3.11 0.08 0.00 -1.51 0.00 0.00 37.83 33.20 1mt3 s LYS 20 CO -0.07 -0.37 0.13 -1.17 -0.36 0.00 0.00 175.35 173.51 1mt3 s LEU 21 N 1.41 4.72 -0.37 5.43 2.96 -0.35 0.84 118.68 133.32 1mt3 s LEU 21 Ca 0.02 -1.64 -0.20 0.00 -0.22 0.00 0.00 54.13 52.09 1mt3 s LEU 21 Cb -0.16 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1mt3 s LEU 21 CO -0.02 -0.43 0.62 0.00 -1.32 0.00 0.00 176.35 175.20 1mt3 s LYS 23 N 2.67 2.23 0.00 0.00 1.02 -1.26 -1.93 119.74 122.47 1mt3 s LYS 23 Ca 0.23 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1mt3 s LYS 23 Cb -0.15 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1mt3 s LYS 23 CO 0.15 -0.93 0.00 0.00 -0.92 0.00 0.00 175.35 173.65 1mt3 n ALA 24 N -2.38 0.00 -1.32 5.17 0.00 -1.26 -4.88 120.51 115.83 1mt3 n ALA 24 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1mt3 n ALA 24 Cb 0.61 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.14 1mt3 n ALA 24 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1mt3 s PRO 25 N 0.00 2.36 -0.69 0.00 0.02 -1.25 -4.45 135.00 130.99 1mt3 s PRO 25 Ca 0.00 1.34 -0.01 0.00 0.02 0.00 0.00 61.00 62.35 1mt3 s PRO 25 Cb 0.00 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 1mt3 s PRO 25 CO 0.00 -1.59 0.64 0.39 -0.33 0.00 0.00 177.00 176.11 1mt3 n GLU 26 N -3.07 -1.29 -1.73 5.54 -0.58 -1.26 -3.98 120.64 114.27 1mt3 n GLU 26 Ca 0.10 1.22 -0.43 0.00 -0.42 0.00 0.00 57.16 57.64 1mt3 n GLU 26 Cb 0.52 -5.15 -0.03 0.00 -0.57 0.00 0.00 31.44 26.21 1mt3 n GLU 26 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1mt3 s GLU 27 N -3.25 3.55 -0.18 3.49 0.41 -1.26 -4.28 118.70 117.17 1mt3 s GLU 27 Ca 0.08 2.11 0.08 0.00 -0.41 0.00 0.00 54.97 56.84 1mt3 s GLU 27 Cb -0.01 -4.25 -0.17 0.00 -1.78 0.00 0.00 34.13 27.92 1mt3 s GLU 27 CO 0.64 -1.62 -0.06 1.63 -0.49 0.00 0.00 175.26 175.36 1mt3 n LYS 28 N 8.20 0.95 -3.60 1.61 4.76 0.62 -5.05 118.16 125.65 1mt3 n LYS 28 Ca 0.25 0.05 -0.05 0.00 -2.87 0.00 0.00 58.31 55.69 1mt3 n LYS 28 Cb 0.44 -1.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.20 1mt3 n LYS 28 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mt3 s ALA 29 N -2.40 -1.90 0.07 7.82 0.00 -1.17 -5.03 121.76 119.14 1mt3 s ALA 29 Ca -0.18 0.87 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1mt3 s ALA 29 Cb 0.06 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1mt3 s ALA 29 CO 0.57 -0.81 -0.12 0.15 0.00 0.00 0.00 175.76 175.55 1mt3 s LYS 30 N -2.90 2.19 0.11 0.00 3.01 -1.26 -1.67 119.74 119.21 1mt3 s LYS 30 Ca 0.09 -0.95 0.00 0.00 -1.01 0.00 0.00 55.97 54.10 1mt3 s LYS 30 Cb -0.00 -2.31 -0.00 0.00 -1.01 0.00 0.00 37.83 34.51 1mt3 s LYS 30 CO -0.04 0.54 0.02 -0.11 0.51 0.00 0.00 175.35 176.26 1mt3 n LEU 31 N 1.12 0.00 0.00 3.17 7.94 0.38 -0.89 117.00 128.72 1mt3 n LEU 31 Ca -0.15 -0.74 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1mt3 n LEU 31 Cb 0.52 0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.63 1mt3 n LEU 31 CO 0.31 -0.11 0.00 0.35 -1.11 0.00 0.00 177.39 176.83 1mt3 n THR 33 N -0.26 0.00 -4.28 1.96 -2.24 -0.53 -0.30 114.28 108.63 1mt3 n THR 33 Ca -0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 1mt3 n THR 33 Cb 0.15 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1mt3 n THR 33 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1mt3 s HIS 35 N -2.50 1.38 0.00 4.78 -3.43 -1.26 -4.59 115.29 109.68 1mt3 s HIS 35 Ca 0.00 -1.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.10 1mt3 s HIS 35 Cb 0.00 -0.79 0.00 0.00 -1.43 0.00 0.00 32.58 30.36 1mt3 s HIS 35 CO 0.00 -0.34 0.00 0.41 -2.00 0.00 0.00 174.74 172.81 1mt3 n GLY 36 N -0.37 1.55 0.00 -1.38 0.00 -1.20 -3.19 105.19 100.61 1mt3 n GLY 36 Ca -0.02 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1mt3 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt3 n GLY 37 N 5.00 1.30 3.76 -0.02 0.00 -1.26 -3.30 105.19 110.68 1mt3 n GLY 37 Ca 0.00 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1mt3 n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mt3 s PRO 38 N 0.00 3.58 0.00 1.61 0.02 -1.26 -4.71 135.00 134.24 1mt3 s PRO 38 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1mt3 s PRO 38 Cb 0.00 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1mt3 s PRO 38 CO 0.00 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 1mt3 n GLY 39 N 0.62 0.77 3.43 0.52 0.00 -1.21 -2.96 105.19 106.36 1mt3 n GLY 39 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1mt3 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mt3 s SER 41 N -0.47 0.01 0.56 1.61 1.04 -1.26 -3.24 113.70 111.94 1mt3 s SER 41 Ca 0.00 -1.11 0.33 0.00 0.48 0.00 0.00 55.95 55.65 1mt3 s SER 41 Cb 0.00 0.50 1.58 0.00 0.10 0.00 0.00 66.02 68.20 1mt3 s SER 41 CO 0.00 -1.02 2.08 1.12 0.98 0.00 0.00 173.24 176.40 1mt3 h HIS 42 N 2.41 0.00 -0.80 5.02 2.07 -1.97 -3.34 115.15 118.53 1mt3 h HIS 42 Ca -0.30 0.00 0.18 0.00 -2.85 0.00 0.00 60.37 57.40 1mt3 h HIS 42 Cb 1.25 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 31.11 1mt3 h HIS 42 CO 0.38 0.06 0.25 -0.44 -3.07 0.00 0.00 177.93 175.11 1mt3 h ASP 43 N 0.00 0.11 0.38 3.10 3.32 -1.93 -0.65 116.42 120.74 1mt3 h ASP 43 Ca -0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1mt3 h ASP 43 Cb 0.37 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1mt3 h ASP 43 CO 0.01 -0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 1mt3 n TYR 44 N -5.13 0.00 0.70 4.55 4.11 -1.14 -1.77 117.16 118.48 1mt3 n TYR 44 Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.19 1mt3 n TYR 44 Cb 0.54 -0.36 0.17 0.00 -0.00 0.00 0.00 39.34 39.69 1mt3 n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1mt3 n LEU 45 N -1.36 3.15 0.26 -3.48 4.77 -0.25 -4.54 117.00 115.55 1mt3 n LEU 45 Ca 0.06 -1.21 0.17 0.00 -0.03 0.00 0.00 56.01 55.01 1mt3 n LEU 45 Cb 0.14 -0.12 0.92 0.00 -2.33 0.00 0.00 43.42 42.03 1mt3 n LEU 45 CO 0.13 0.60 1.15 -0.07 -1.33 0.00 0.00 177.39 177.87 1mt3 h LEU 46 N 4.50 0.00 -2.55 2.23 3.38 -1.38 -1.62 115.31 119.86 1mt3 h LEU 46 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mt3 h LEU 46 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1mt3 h LEU 46 CO 0.00 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.28 1mt3 h SER 47 N 0.00 0.00 0.00 -0.43 4.64 -1.83 -0.43 113.55 115.50 1mt3 h SER 47 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1mt3 h SER 47 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1mt3 h SER 47 CO -0.00 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1mt3 n LEU 48 N -3.51 0.00 0.04 5.97 4.32 -0.61 -3.21 117.00 119.99 1mt3 n LEU 48 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1mt3 n LEU 48 Cb 0.11 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.22 1mt3 n LEU 48 CO 0.25 0.00 0.90 -0.09 -1.22 0.00 0.00 177.39 177.23 1mt3 h ARG 49 N 0.00 0.43 -3.31 3.23 2.43 -1.28 -3.42 114.38 112.47 1mt3 h ARG 49 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1mt3 h ARG 49 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1mt3 h ARG 49 CO 0.00 0.52 0.27 -0.25 -1.51 0.00 0.00 179.97 178.99 1mt3 n ASP 50 N -4.26 0.00 0.00 -3.80 10.43 -1.20 -4.49 116.55 113.23 1mt3 n ASP 50 Ca 0.01 -0.77 0.00 0.00 2.57 0.00 0.00 54.79 56.60 1mt3 n ASP 50 Cb 0.27 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.17 1mt3 n ASP 50 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1mt3 n THR 52 N 2.54 0.00 1.77 -3.53 -2.24 -1.17 -4.22 114.28 107.43 1mt3 n THR 52 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1mt3 n THR 52 Cb 0.00 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 68.68 1mt3 n THR 52 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1mt3 n LYS 53 N -0.05 0.89 -0.10 -0.78 2.85 -1.26 -2.04 118.16 117.67 1mt3 n LYS 53 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1mt3 n LYS 53 Cb 0.00 -1.27 0.10 0.00 -0.65 0.00 0.00 35.03 33.21 1mt3 n LYS 53 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1mt3 n GLU 54 N -0.77 1.94 -0.69 -1.58 -0.58 -1.26 -4.95 120.64 112.76 1mt3 n GLU 54 Ca 0.11 -1.64 0.00 0.00 -0.42 0.00 0.00 57.16 55.21 1mt3 n GLU 54 Cb 0.05 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1mt3 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mt3 n GLY 55 N 0.44 0.61 3.33 0.62 0.00 -0.87 -4.89 105.19 104.43 1mt3 n GLY 55 Ca 0.08 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1mt3 n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mt3 s ILE 56 N -2.00 3.24 -0.13 -0.61 1.01 -1.25 -0.27 121.20 121.19 1mt3 s ILE 56 Ca 0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 1mt3 s ILE 56 Cb 0.00 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1mt3 s ILE 56 CO 0.00 0.46 0.65 -0.89 0.00 0.00 0.00 174.94 175.16 1mt3 s THR 57 N 1.09 5.05 -0.31 2.92 2.01 -0.67 -3.05 115.64 122.67 1mt3 s THR 57 Ca 0.01 1.28 -0.09 0.00 0.31 0.00 0.00 61.69 63.21 1mt3 s THR 57 Cb -0.15 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.39 1mt3 s THR 57 CO -0.01 0.20 0.13 0.68 -0.69 0.00 0.00 174.62 174.93 1mt3 s VAL 58 N 1.24 4.31 -0.28 3.82 -7.23 -0.81 0.14 120.40 121.60 1mt3 s VAL 58 Ca 0.33 -0.61 -0.19 0.00 -1.81 0.00 0.00 61.98 59.69 1mt3 s VAL 58 Cb -0.16 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1mt3 s VAL 58 CO 0.14 0.03 0.59 -0.22 -0.31 0.00 0.00 175.10 175.32 1mt3 s LEU 59 N 1.55 4.11 0.22 1.32 2.96 0.58 -2.31 118.68 127.11 1mt3 s LEU 59 Ca 0.03 0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.51 1mt3 s LEU 59 Cb -0.17 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1mt3 s LEU 59 CO 0.05 -0.39 0.20 -0.36 -1.32 0.00 0.00 176.35 174.52 1mt3 s PHE 60 N 2.48 3.18 -0.26 5.38 0.08 0.25 -1.45 117.98 127.64 1mt3 s PHE 60 Ca 0.24 -0.06 -0.31 0.00 0.12 0.00 0.00 56.93 56.92 1mt3 s PHE 60 Cb -0.15 -1.47 0.18 0.00 -0.57 0.00 0.00 43.02 41.01 1mt3 s PHE 60 CO 0.10 0.51 1.31 1.52 -0.10 0.00 0.00 175.22 178.56 1mt3 s TYR 61 N -1.98 -0.08 -0.25 0.36 1.13 -1.26 -0.41 117.35 114.86 1mt3 s TYR 61 Ca 0.32 0.13 -0.14 0.00 -1.41 0.00 0.00 57.07 55.97 1mt3 s TYR 61 Cb -0.09 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1mt3 s TYR 61 CO 0.25 -0.08 0.31 -0.51 -2.51 0.00 0.00 175.55 173.01 1mt3 s ASP 62 N -1.21 6.24 1.13 -0.18 -0.00 -0.74 -4.13 116.67 117.79 1mt3 s ASP 62 Ca 0.08 0.27 -0.15 0.00 -0.00 0.00 0.00 52.55 52.76 1mt3 s ASP 62 Cb -0.01 -2.18 0.26 0.00 -0.00 0.00 0.00 42.92 40.99 1mt3 s ASP 62 CO -0.06 -0.08 1.06 -1.10 -0.00 0.00 0.00 175.17 174.98 1mt3 s GLN 63 N 1.61 -0.66 0.22 8.23 -0.21 -1.26 -4.28 119.66 123.31 1mt3 s GLN 63 Ca 0.13 0.46 -0.30 0.00 0.02 0.00 0.00 55.36 55.68 1mt3 s GLN 63 Cb -0.15 -1.62 -0.16 0.00 1.00 0.00 0.00 33.01 32.09 1mt3 s GLN 63 CO 0.08 -3.45 0.94 1.97 -2.12 0.00 0.00 175.29 172.71 1mt3 n PHE 64 N -4.67 0.81 -0.77 0.91 -1.74 -1.26 -1.47 117.46 109.28 1mt3 n PHE 64 Ca 0.06 0.78 0.00 0.00 -0.56 0.00 0.00 57.45 57.73 1mt3 n PHE 64 Cb 0.57 -2.18 0.00 0.00 1.52 0.00 0.00 39.48 39.39 1mt3 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1mt3 n GLY 65 N 1.66 0.27 3.73 4.97 0.00 -1.18 -4.92 105.19 109.73 1mt3 n GLY 65 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1mt3 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt3 n GLY 67 N -0.51 1.35 0.00 0.00 0.00 -1.26 -0.44 105.19 104.33 1mt3 n GLY 67 Ca -0.08 0.66 0.10 0.00 0.00 0.00 0.00 46.02 46.70 1mt3 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mt3 n ARG 68 N 0.00 0.14 -1.94 1.61 1.74 -1.26 -4.97 116.66 111.99 1mt3 n ARG 68 Ca 0.00 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.72 1mt3 n ARG 68 Cb 0.00 -1.51 0.02 0.00 -1.02 0.00 0.00 32.46 29.95 1mt3 n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1mt3 s SER 69 N -3.35 5.71 0.12 0.55 0.01 0.41 -4.69 113.70 112.46 1mt3 s SER 69 Ca 0.05 1.76 -0.13 0.00 1.31 0.00 0.00 55.95 58.94 1mt3 s SER 69 Cb 0.16 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1mt3 s SER 69 CO 0.87 -1.21 0.49 -1.83 0.41 0.00 0.00 173.24 171.96 1mt3 s GLU 70 N -4.30 3.90 0.33 12.44 -1.05 0.74 -4.22 118.70 126.54 1mt3 s GLU 70 Ca 0.62 0.37 -0.15 0.00 -0.15 0.00 0.00 54.97 55.66 1mt3 s GLU 70 Cb -0.15 -2.97 -0.09 0.00 -0.44 0.00 0.00 34.13 30.48 1mt3 s GLU 70 CO 0.41 0.52 0.75 -1.83 0.95 0.00 0.00 175.26 176.06 1mt3 s GLU 71 N -1.91 4.01 0.00 -4.83 -1.05 -1.26 -3.10 118.70 110.56 1mt3 s GLU 71 Ca 0.35 0.69 0.00 0.00 -0.15 0.00 0.00 54.97 55.86 1mt3 s GLU 71 Cb -0.15 -2.41 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 1mt3 s GLU 71 CO 0.19 0.14 0.00 -0.35 0.95 0.00 0.00 175.26 176.18 1mt3 n PRO 72 N -0.42 1.85 -2.15 -4.83 -0.04 -1.26 -4.86 135.00 123.29 1mt3 n PRO 72 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1mt3 n PRO 72 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1mt3 n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1mt3 s ASP 73 N -1.00 6.82 0.36 3.54 2.15 -1.26 -4.89 116.67 122.40 1mt3 s ASP 73 Ca 0.00 2.62 0.16 0.00 0.43 0.00 0.00 52.55 55.76 1mt3 s ASP 73 Cb 0.00 -2.64 1.07 0.00 -0.30 0.00 0.00 42.92 41.05 1mt3 s ASP 73 CO 0.00 -0.51 1.71 1.56 -0.17 0.00 0.00 175.17 177.76 1mt3 h GLN 74 N 3.80 0.39 0.00 4.34 1.08 -2.00 0.26 115.11 122.97 1mt3 h GLN 74 Ca -0.48 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1mt3 h GLN 74 Cb 1.22 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1mt3 h GLN 74 CO 0.68 0.26 0.00 -1.13 -0.95 0.00 0.00 178.83 177.69 1mt3 n SER 75 N -4.83 0.16 -1.19 1.46 3.41 -1.26 -0.84 113.62 110.53 1mt3 n SER 75 Ca 0.29 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.59 1mt3 n SER 75 Cb 0.93 -0.60 0.25 0.00 -0.26 0.00 0.00 64.21 64.54 1mt3 n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mt3 n LYS 76 N -1.72 2.58 -2.26 4.33 5.02 0.92 -4.75 118.16 122.28 1mt3 n LYS 76 Ca -0.00 -2.41 -0.40 0.00 -2.02 0.00 0.00 58.31 53.48 1mt3 n LYS 76 Cb 0.02 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1mt3 n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mt3 n PHE 77 N 1.48 3.96 -4.06 2.13 0.99 -0.02 -4.68 117.46 117.26 1mt3 n PHE 77 Ca 0.21 -2.55 -0.08 0.00 -0.00 0.00 0.00 57.45 55.03 1mt3 n PHE 77 Cb 0.60 -2.57 -0.10 0.00 -1.00 0.00 0.00 39.48 36.41 1mt3 n PHE 77 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1mt3 s THR 78 N 5.37 0.20 0.18 4.37 -4.23 -1.26 -4.98 115.64 115.29 1mt3 s THR 78 Ca 0.56 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1mt3 s THR 78 Cb 0.05 -1.54 -0.07 0.00 1.34 0.00 0.00 72.50 72.28 1mt3 s THR 78 CO 0.06 -0.89 1.47 0.40 -0.54 0.00 0.00 174.62 175.13 1mt3 h ILE 79 N 3.05 1.33 -0.70 2.99 2.04 -1.99 -2.27 117.51 121.97 1mt3 h ILE 79 Ca -0.34 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 63.58 1mt3 h ILE 79 Cb 1.16 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 1mt3 h ILE 79 CO 0.64 0.58 0.26 0.44 0.00 0.00 0.00 178.15 180.07 1mt3 h ASP 80 N 0.40 0.97 -0.31 1.72 3.45 -1.95 -0.73 116.42 119.96 1mt3 h ASP 80 Ca -0.01 -0.15 -0.15 0.00 0.43 0.00 0.00 57.03 57.16 1mt3 h ASP 80 Cb 1.17 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.69 1mt3 h ASP 80 CO 0.11 0.87 -0.38 0.22 -1.57 0.00 0.00 179.24 178.50 1mt3 h TYR 81 N 1.02 0.97 -0.40 4.55 3.20 -1.82 -2.21 116.97 122.28 1mt3 h TYR 81 Ca 0.23 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1mt3 h TYR 81 Cb 0.23 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1mt3 h TYR 81 CO 0.02 1.10 0.27 0.78 -1.64 0.00 0.00 178.16 178.69 1mt3 h GLY 82 N 0.56 0.50 0.68 1.82 0.00 -1.02 0.60 103.07 106.21 1mt3 h GLY 82 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1mt3 h GLY 82 CO 0.09 0.16 -0.12 -2.08 0.00 0.00 0.00 176.54 174.59 1mt3 h VAL 83 N 0.45 0.81 -0.45 4.60 2.07 -0.89 -1.19 116.25 121.64 1mt3 h VAL 83 Ca 0.16 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1mt3 h VAL 83 Cb 0.09 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1mt3 h VAL 83 CO -0.04 0.13 0.30 -0.33 0.02 0.00 0.00 177.57 177.65 1mt3 h GLU 84 N -0.66 0.53 -0.53 1.57 4.39 -0.71 0.61 114.58 119.79 1mt3 h GLU 84 Ca -0.03 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1mt3 h GLU 84 Cb 0.46 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1mt3 h GLU 84 CO 0.06 0.35 0.00 1.49 -1.16 0.00 0.00 179.01 179.75 1mt3 h GLU 85 N 0.55 0.89 -0.05 2.33 4.81 0.37 0.11 114.58 123.59 1mt3 h GLU 85 Ca 0.17 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1mt3 h GLU 85 Cb 0.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1mt3 h GLU 85 CO -0.04 0.88 -0.14 0.00 -0.73 0.00 0.00 179.01 178.98 1mt3 h ALA 86 N 1.17 0.09 0.05 2.92 0.00 0.07 -2.01 119.26 121.55 1mt3 h ALA 86 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1mt3 h ALA 86 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1mt3 h ALA 86 CO 0.02 -0.00 -0.06 1.49 0.00 0.00 0.00 179.25 180.70 1mt3 h GLU 87 N -0.34 -0.12 -0.58 0.00 4.57 -0.86 -0.73 114.58 116.53 1mt3 h GLU 87 Ca -0.00 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 1mt3 h GLU 87 Cb 0.75 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.29 1mt3 h GLU 87 CO 0.03 -0.08 0.15 0.00 -1.18 0.00 0.00 179.01 177.93 1mt3 h ALA 88 N 0.82 0.70 0.08 2.92 0.00 -0.83 0.07 119.26 123.02 1mt3 h ALA 88 Ca 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mt3 h ALA 88 Cb 0.12 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1mt3 h ALA 88 CO -0.02 -0.27 -0.04 1.25 0.00 0.00 0.00 179.25 180.17 1mt3 h LEU 89 N 0.30 -0.09 0.15 0.00 5.85 -0.96 -0.46 115.31 120.09 1mt3 h LEU 89 Ca 0.30 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1mt3 h LEU 89 Cb 0.41 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1mt3 h LEU 89 CO -0.35 -0.01 -0.50 -0.09 -0.34 0.00 0.00 178.44 177.15 1mt3 h ARG 90 N -0.17 -0.72 -0.45 1.25 2.43 -0.36 0.38 114.38 116.74 1mt3 h ARG 90 Ca -0.01 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1mt3 h ARG 90 Cb 0.14 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 1mt3 h ARG 90 CO 0.02 -0.48 -0.03 1.03 -1.51 0.00 0.00 179.97 179.01 1mt3 h SER 91 N -0.74 -0.24 1.22 -3.80 0.87 -0.96 1.06 113.55 110.95 1mt3 h SER 91 Ca -0.01 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1mt3 h SER 91 Cb 0.73 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1mt3 h SER 91 CO -0.25 -0.08 -0.02 0.50 -0.53 0.00 0.00 176.83 176.45 1mt3 h LYS 92 N 0.08 0.00 0.00 2.24 1.63 -0.73 -0.17 116.57 119.62 1mt3 h LYS 92 Ca 0.22 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.86 1mt3 h LYS 92 Cb 0.33 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 1mt3 h LYS 92 CO -0.39 0.02 -2.09 -0.11 -3.45 0.00 0.00 179.45 173.43 1mt3 n LEU 93 N -3.12 0.00 -0.10 5.20 7.94 0.13 -4.63 117.00 122.42 1mt3 n LEU 93 Ca 0.01 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.92 1mt3 n LEU 93 Cb 0.36 0.21 0.01 0.00 0.53 0.00 0.00 43.42 44.54 1mt3 n LEU 93 CO 0.29 0.21 0.35 0.49 -1.11 0.00 0.00 177.39 177.62 1mt3 n PHE 94 N -2.43 0.00 0.00 1.96 3.72 0.35 -5.04 117.46 116.02 1mt3 n PHE 94 Ca -0.16 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 1mt3 n PHE 94 Cb 0.80 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1mt3 n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mt3 n GLY 95 N -0.28 2.53 0.69 1.37 0.00 -0.08 -1.91 105.19 107.50 1mt3 n GLY 95 Ca 0.02 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.44 1mt3 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mt3 n ASN 96 N 10.43 3.42 -4.74 1.61 3.02 -1.26 -4.35 115.26 123.40 1mt3 n ASN 96 Ca 0.00 -2.85 -0.32 0.00 -0.03 0.00 0.00 54.58 51.38 1mt3 n ASN 96 Cb 0.00 -0.46 0.10 0.00 -0.61 0.00 0.00 39.78 38.81 1mt3 n ASN 96 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1mt3 s GLU 97 N -2.52 2.09 0.30 3.52 2.12 -0.80 -5.03 118.70 118.39 1mt3 s GLU 97 Ca 0.36 1.44 -0.05 0.00 0.36 0.00 0.00 54.97 57.08 1mt3 s GLU 97 Cb 0.29 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.77 1mt3 s GLU 97 CO 0.08 -1.81 0.57 0.15 -0.54 0.00 0.00 175.26 173.72 1mt3 s LYS 98 N -4.42 3.63 0.13 4.30 -0.14 -1.26 -4.86 119.74 117.12 1mt3 s LYS 98 Ca 0.67 0.03 -0.18 0.00 -1.36 0.00 0.00 55.97 55.12 1mt3 s LYS 98 Cb -0.22 -2.62 0.05 0.00 -1.68 0.00 0.00 37.83 33.35 1mt3 s LYS 98 CO 0.50 0.18 0.46 0.08 -0.76 0.00 0.00 175.35 175.82 1mt3 s VAL 99 N -2.13 0.05 -0.12 3.17 1.01 -1.18 -4.76 120.40 116.44 1mt3 s VAL 99 Ca 0.44 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 1mt3 s VAL 99 Cb -0.11 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1mt3 s VAL 99 CO 0.31 -0.22 0.40 -0.36 0.00 0.00 0.00 175.10 175.22 1mt3 s PHE 100 N -3.71 3.52 0.43 5.22 2.99 -0.06 0.27 117.98 126.64 1mt3 s PHE 100 Ca 0.02 0.79 0.07 0.00 0.00 0.00 0.00 56.93 57.81 1mt3 s PHE 100 Cb 0.01 -2.43 -0.03 0.00 0.00 0.00 0.00 43.02 40.57 1mt3 s PHE 100 CO -0.12 0.27 0.26 -1.17 -0.00 0.00 0.00 175.22 174.46 1mt3 s LEU 101 N 0.31 3.13 0.00 -0.37 0.20 -0.12 -4.14 118.68 117.70 1mt3 s LEU 101 Ca 0.22 -1.01 0.00 0.00 0.69 0.00 0.00 54.13 54.03 1mt3 s LEU 101 Cb -0.14 -1.57 0.00 0.00 -0.43 0.00 0.00 46.19 44.04 1mt3 s LEU 101 CO 0.08 -0.65 0.00 0.61 -0.29 0.00 0.00 176.35 176.10 1mt3 n GLY 103 N -1.39 2.20 3.39 7.98 0.00 0.16 -0.76 105.19 116.76 1mt3 n GLY 103 Ca -0.00 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1mt3 n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mt3 s SER 104 N 0.00 4.81 1.98 1.61 0.15 -1.26 -0.73 113.70 120.26 1mt3 s SER 104 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1mt3 s SER 104 Cb 0.00 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1mt3 s SER 104 CO 0.00 -0.04 0.00 -0.24 1.20 0.00 0.00 173.24 174.16 1mt3 n SER 105 N 4.87 0.00 -0.19 5.45 2.88 0.60 0.58 113.62 127.81 1mt3 n SER 105 Ca -0.17 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.54 1mt3 n SER 105 Cb 0.51 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.47 1mt3 n SER 105 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1mt3 h TYR 106 N 0.00 0.51 -0.03 0.66 5.03 -1.84 0.59 116.97 121.89 1mt3 h TYR 106 Ca 0.00 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1mt3 h TYR 106 Cb 0.00 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.12 1mt3 h TYR 106 CO 0.00 0.18 0.01 0.78 -1.32 0.00 0.00 178.16 177.81 1mt3 h GLY 107 N 0.42 0.05 1.03 1.82 0.00 0.17 -0.11 103.07 106.45 1mt3 h GLY 107 Ca 0.40 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 1mt3 h GLY 107 CO -0.14 0.02 -0.24 -1.33 0.00 0.00 0.00 176.54 174.85 1mt3 h GLY 108 N 0.07 0.90 1.10 4.60 0.00 0.22 0.19 103.07 110.16 1mt3 h GLY 108 Ca 0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.40 1mt3 h GLY 108 CO -0.00 0.77 0.02 0.00 0.00 0.00 0.00 176.54 177.33 1mt3 h ALA 109 N 0.79 0.86 -0.59 3.60 0.00 -0.50 -1.64 119.26 121.78 1mt3 h ALA 109 Ca 0.08 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1mt3 h ALA 109 Cb 0.80 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1mt3 h ALA 109 CO 0.07 0.67 -0.02 1.25 0.00 0.00 0.00 179.25 181.22 1mt3 h LEU 110 N 0.99 1.04 -0.52 0.00 5.85 -0.82 -1.34 115.31 120.51 1mt3 h LEU 110 Ca 0.18 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1mt3 h LEU 110 Cb 0.53 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1mt3 h LEU 110 CO 0.03 1.10 0.23 0.00 -0.34 0.00 0.00 178.44 179.46 1mt3 h ALA 111 N 0.97 0.68 -0.09 1.25 0.00 -0.45 0.15 119.26 121.76 1mt3 h ALA 111 Ca 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mt3 h ALA 111 Cb 0.58 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1mt3 h ALA 111 CO 0.03 0.26 0.05 -0.07 0.00 0.00 0.00 179.25 179.52 1mt3 h LEU 112 N 0.70 0.12 -0.98 0.00 3.38 -1.07 0.11 115.31 117.57 1mt3 h LEU 112 Ca 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1mt3 h LEU 112 Cb 0.16 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1mt3 h LEU 112 CO -0.02 0.19 0.63 0.00 0.09 0.00 0.00 178.44 179.33 1mt3 h ALA 113 N 0.93 1.24 0.65 1.53 0.00 -1.03 0.10 119.26 122.69 1mt3 h ALA 113 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1mt3 h ALA 113 Cb 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1mt3 h ALA 113 CO -0.00 0.66 -0.35 -0.92 0.00 0.00 0.00 179.25 178.63 1mt3 h TYR 114 N 1.34 -0.93 -0.91 0.00 3.20 -0.32 -3.00 116.97 116.35 1mt3 h TYR 114 Ca 0.36 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.43 1mt3 h TYR 114 Cb -0.12 0.32 -0.12 0.00 1.54 0.00 0.00 36.73 38.35 1mt3 h TYR 114 CO 0.00 -0.55 0.43 0.00 -1.64 0.00 0.00 178.16 176.40 1mt3 h ALA 115 N -1.47 1.48 -0.47 1.82 0.00 -0.61 0.32 119.26 120.32 1mt3 h ALA 115 Ca -0.09 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1mt3 h ALA 115 Cb 0.72 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1mt3 h ALA 115 CO 0.12 -0.32 0.33 0.28 0.00 0.00 0.00 179.25 179.66 1mt3 h VAL 116 N 0.44 0.83 0.00 0.00 2.07 -0.83 -0.91 116.25 117.84 1mt3 h VAL 116 Ca 0.57 -0.05 -0.37 0.00 0.82 0.00 0.00 66.70 67.67 1mt3 h VAL 116 Cb 1.06 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1mt3 h VAL 116 CO -0.51 0.02 -2.37 1.17 0.02 0.00 0.00 177.57 175.90 1mt3 n LYS 117 N -4.44 0.60 -1.92 1.57 4.81 0.31 -4.71 118.16 114.38 1mt3 n LYS 117 Ca 0.08 0.15 -0.26 0.00 -0.87 0.00 0.00 58.31 57.40 1mt3 n LYS 117 Cb 0.45 -1.48 0.03 0.00 0.02 0.00 0.00 35.03 34.05 1mt3 n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1mt3 n TYR 118 N -3.28 2.85 0.40 5.64 4.01 0.84 -4.65 117.16 122.98 1mt3 n TYR 118 Ca -0.43 -2.38 0.12 0.00 -0.16 0.00 0.00 57.90 55.05 1mt3 n TYR 118 Cb 0.95 -0.52 0.49 0.00 -0.31 0.00 0.00 39.34 39.95 1mt3 n TYR 118 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1mt3 n GLN 119 N -0.74 0.20 -0.29 -0.72 10.64 -0.35 -1.92 117.38 124.19 1mt3 n GLN 119 Ca 0.47 0.42 -0.05 0.00 -1.83 0.00 0.00 57.00 56.01 1mt3 n GLN 119 Cb 0.91 -1.88 0.07 0.00 -0.86 0.00 0.00 30.24 28.48 1mt3 n GLN 119 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1mt3 h ASP 120 N 0.00 0.99 -0.14 2.61 5.19 -1.85 0.30 116.42 123.51 1mt3 h ASP 120 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1mt3 h ASP 120 Cb 0.38 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1mt3 h ASP 120 CO 0.00 0.78 0.00 1.41 -3.12 0.00 0.00 179.24 178.31 1mt3 n HIS 121 N -4.44 0.19 -4.94 4.55 8.25 -0.81 -4.88 115.22 113.14 1mt3 n HIS 121 Ca 0.08 -0.10 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 1mt3 n HIS 121 Cb 0.08 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.05 1mt3 n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1mt3 s LEU 122 N -0.99 2.51 -0.23 2.41 1.43 0.09 -3.12 118.68 120.78 1mt3 s LEU 122 Ca 0.10 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1mt3 s LEU 122 Cb 0.05 -1.48 -0.18 0.00 0.03 0.00 0.00 46.19 44.60 1mt3 s LEU 122 CO 0.06 0.32 -0.10 0.29 0.23 0.00 0.00 176.35 177.15 1mt3 n LYS 123 N 2.15 0.66 -3.68 1.70 5.02 0.14 -4.75 118.16 119.40 1mt3 n LYS 123 Ca -0.17 0.21 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1mt3 n LYS 123 Cb 0.52 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1mt3 n LYS 123 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1mt3 s GLY 124 N -6.11 -0.19 -0.04 0.72 0.00 -1.23 -4.46 107.32 96.00 1mt3 s GLY 124 Ca -0.33 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.27 1mt3 s GLY 124 CO 0.62 -0.35 -0.11 -2.27 0.00 0.00 0.00 173.10 170.99 1mt3 s LEU 125 N -2.83 1.73 -0.09 0.66 2.96 -0.45 -0.95 118.68 119.72 1mt3 s LEU 125 Ca 0.05 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1mt3 s LEU 125 Cb 0.02 -0.69 0.02 0.00 0.50 0.00 0.00 46.19 46.04 1mt3 s LEU 125 CO -0.10 0.06 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.26 1mt3 s ILE 126 N 0.36 1.12 -0.22 6.68 1.01 0.06 -0.49 121.20 129.73 1mt3 s ILE 126 Ca -0.07 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1mt3 s ILE 126 Cb -0.12 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.32 1mt3 s ILE 126 CO 0.02 0.37 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 1mt3 s VAL 127 N 1.17 1.92 -0.24 2.92 1.01 0.01 -0.67 120.40 126.53 1mt3 s VAL 127 Ca -0.05 -1.23 -0.00 0.00 0.00 0.00 0.00 61.98 60.70 1mt3 s VAL 127 Cb -0.14 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1mt3 s VAL 127 CO -0.02 0.17 -0.10 -0.44 0.00 0.00 0.00 175.10 174.70 1mt3 s SER 128 N 1.27 4.09 -1.47 3.32 0.01 0.09 -1.06 113.70 119.95 1mt3 s SER 128 Ca -0.03 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1mt3 s SER 128 Cb -0.17 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1mt3 s SER 128 CO -0.08 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1mt3 n GLY 129 N 4.61 0.00 3.53 3.44 0.00 -0.65 -0.29 105.19 115.83 1mt3 n GLY 129 Ca -0.17 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1mt3 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt3 n GLY 130 N -1.00 -0.23 3.37 -0.02 0.00 -1.26 -3.45 105.19 102.60 1mt3 n GLY 130 Ca -0.19 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 1mt3 n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1mt3 s LEU 131 N 0.00 0.13 0.00 0.99 2.34 -1.26 -4.61 118.68 116.27 1mt3 s LEU 131 Ca 0.64 0.34 0.17 0.00 0.06 0.00 0.00 54.13 55.34 1mt3 s LEU 131 Cb -0.03 1.89 -0.08 0.00 -0.56 0.00 0.00 46.19 47.41 1mt3 s LEU 131 CO 0.43 -0.55 0.83 -1.54 -1.06 0.00 0.00 176.35 174.46 1mt3 n SER 132 N 0.99 1.34 -3.71 1.48 3.41 -1.26 -3.93 113.62 111.94 1mt3 n SER 132 Ca -0.20 -1.17 -0.12 0.00 -0.26 0.00 0.00 58.87 57.12 1mt3 n SER 132 Cb 0.57 0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 65.08 1mt3 n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1mt3 s SER 133 N -2.27 -0.15 0.10 4.04 0.15 -1.26 -0.10 113.70 114.21 1mt3 s SER 133 Ca 0.11 0.58 -0.13 0.00 0.70 0.00 0.00 55.95 57.21 1mt3 s SER 133 Cb 0.14 0.51 -0.18 0.00 -1.71 0.00 0.00 66.02 64.78 1mt3 s SER 133 CO 0.55 -0.19 1.26 0.58 1.20 0.00 0.00 173.24 176.65 1mt3 h VAL 134 N 5.94 1.28 -0.87 4.45 2.07 -0.94 -2.76 116.25 125.43 1mt3 h VAL 134 Ca -0.34 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.07 1mt3 h VAL 134 Cb 1.15 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1mt3 h VAL 134 CO 0.31 0.66 0.49 -0.65 0.02 0.00 0.00 177.57 178.40 1mt3 h PRO 135 N 0.47 1.20 -0.33 1.57 0.11 -1.71 -0.37 132.00 132.93 1mt3 h PRO 135 Ca -0.08 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 1mt3 h PRO 135 Cb 1.53 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1mt3 h PRO 135 CO 0.18 0.86 0.08 1.25 -0.21 0.00 0.00 178.00 180.16 1mt3 h LEU 136 N 1.21 0.51 -0.11 2.35 5.85 -1.92 -1.65 115.31 121.55 1mt3 h LEU 136 Ca 0.31 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1mt3 h LEU 136 Cb -0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1mt3 h LEU 136 CO -0.05 0.61 -0.08 0.74 -0.34 0.00 0.00 178.44 179.31 1mt3 h THR 137 N 0.38 0.75 -0.55 1.05 2.02 -1.18 -1.55 112.91 113.83 1mt3 h THR 137 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 1mt3 h THR 137 Cb 0.30 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 1mt3 h THR 137 CO 0.00 0.00 0.20 0.58 0.37 0.00 0.00 175.52 176.67 1mt3 h VAL 138 N -0.10 0.81 -0.68 3.16 2.07 -0.92 -2.11 116.25 118.47 1mt3 h VAL 138 Ca 0.07 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1mt3 h VAL 138 Cb 0.20 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1mt3 h VAL 138 CO -0.17 0.07 0.33 0.07 0.02 0.00 0.00 177.57 177.89 1mt3 h LYS 139 N 0.38 0.96 -1.57 1.57 2.10 -0.83 -0.96 116.57 118.22 1mt3 h LYS 139 Ca 0.27 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1mt3 h LYS 139 Cb 0.30 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1mt3 h LYS 139 CO -0.27 0.74 0.00 0.39 -2.00 0.00 0.00 179.45 178.31 1mt3 n GLU 140 N -4.34 0.47 0.00 0.07 -0.58 -0.63 -2.68 120.64 112.95 1mt3 n GLU 140 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1mt3 n GLU 140 Cb 0.13 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1mt3 n GLU 140 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mt3 n ASN 142 N 0.84 0.00 -0.07 1.62 5.03 -0.37 -2.11 115.26 120.20 1mt3 n ASN 142 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1mt3 n ASN 142 Cb 0.23 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.93 1mt3 n ASN 142 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1mt3 h ARG 143 N 0.00 0.46 -0.61 3.52 2.43 -1.78 -1.78 114.38 116.61 1mt3 h ARG 143 Ca 0.00 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1mt3 h ARG 143 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1mt3 h ARG 143 CO 0.00 0.79 0.41 -0.07 -1.51 0.00 0.00 179.97 179.59 1mt3 h LEU 144 N 0.14 0.63 -0.76 3.80 3.38 -1.74 -1.05 115.31 119.71 1mt3 h LEU 144 Ca 0.04 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1mt3 h LEU 144 Cb 0.69 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1mt3 h LEU 144 CO 0.04 0.44 -0.28 0.40 0.09 0.00 0.00 178.44 179.13 1mt3 h ILE 145 N 0.73 1.28 0.00 1.22 1.08 -1.79 -2.73 117.51 117.30 1mt3 h ILE 145 Ca 0.24 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1mt3 h ILE 145 Cb 0.06 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1mt3 h ILE 145 CO -0.07 0.45 0.00 0.44 -0.69 0.00 0.00 178.15 178.28 1mt3 h ASP 146 N 0.55 0.00 0.14 1.72 3.32 -0.32 -2.31 116.42 119.53 1mt3 h ASP 146 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1mt3 h ASP 146 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1mt3 h ASP 146 CO 0.06 0.00 -0.18 -0.62 -1.72 0.00 0.00 179.24 176.78 1mt3 n GLU 147 N -2.52 1.16 -2.03 3.56 1.02 -0.86 -4.89 120.64 116.08 1mt3 n GLU 147 Ca 0.02 -0.70 -0.33 0.00 -0.02 0.00 0.00 57.16 56.13 1mt3 n GLU 147 Cb 0.30 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.25 1mt3 n GLU 147 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1mt3 s LEU 148 N -2.33 3.52 0.43 -4.62 2.96 -0.87 -4.98 118.68 112.79 1mt3 s LEU 148 Ca 0.29 1.90 -0.26 0.00 -0.22 0.00 0.00 54.13 55.84 1mt3 s LEU 148 Cb 0.20 -4.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.25 1mt3 s LEU 148 CO 0.46 -1.26 1.36 -0.81 -1.32 0.00 0.00 176.35 174.78 1mt3 n PRO 149 N -1.99 2.14 -0.32 0.98 -0.04 -1.26 -4.65 135.00 129.86 1mt3 n PRO 149 Ca 0.09 0.76 0.10 0.00 -0.04 0.00 0.00 63.50 64.41 1mt3 n PRO 149 Cb 0.52 -2.52 0.20 0.00 -0.04 0.00 0.00 33.50 31.67 1mt3 n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mt3 n ALA 150 N -0.14 0.35 0.01 0.55 0.00 -1.26 -1.83 120.51 118.19 1mt3 n ALA 150 Ca 0.05 0.98 -0.05 0.00 0.00 0.00 0.00 53.44 54.43 1mt3 n ALA 150 Cb 0.40 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1mt3 n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mt3 h LYS 151 N 0.00 -0.19 -0.82 0.00 3.64 -1.99 0.26 116.57 117.47 1mt3 h LYS 151 Ca 0.49 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.93 1mt3 h LYS 151 Cb 0.91 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 1mt3 h LYS 151 CO -0.89 -0.12 0.54 1.88 -2.27 0.00 0.00 179.45 178.59 1mt3 h TYR 152 N -0.19 0.98 0.12 1.91 0.99 -1.75 0.79 116.97 119.82 1mt3 h TYR 152 Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1mt3 h TYR 152 Cb 0.21 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 37.62 1mt3 h TYR 152 CO -0.43 0.56 -0.06 -0.09 -0.00 0.00 0.00 178.16 178.15 1mt3 h ARG 153 N 1.01 -0.16 -0.87 4.88 2.43 -1.08 -2.11 114.38 118.47 1mt3 h ARG 153 Ca 0.33 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1mt3 h ARG 153 Cb 0.06 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1mt3 h ARG 153 CO -0.10 0.05 0.49 -0.44 -1.51 0.00 0.00 179.97 178.47 1mt3 h ASP 154 N -0.35 1.07 0.22 -3.80 5.19 -0.13 -1.46 116.42 117.16 1mt3 h ASP 154 Ca -0.02 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.28 1mt3 h ASP 154 Cb 0.28 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 1mt3 h ASP 154 CO 0.03 0.84 -0.14 0.00 -3.12 0.00 0.00 179.24 176.85 1mt3 h ALA 155 N 1.33 1.54 0.20 3.45 0.00 -0.74 -1.43 119.26 123.60 1mt3 h ALA 155 Ca 0.31 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.77 1mt3 h ALA 155 Cb -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1mt3 h ALA 155 CO -0.05 0.17 -1.48 0.82 0.00 0.00 0.00 179.25 178.71 1mt3 h ILE 156 N 0.00 1.26 -0.02 0.00 2.04 -0.66 -2.47 117.51 117.66 1mt3 h ILE 156 Ca -0.00 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1mt3 h ILE 156 Cb 0.29 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1mt3 h ILE 156 CO 0.02 0.84 0.00 2.29 0.00 0.00 0.00 178.15 181.30 1mt3 n LYS 157 N -3.62 1.11 -0.00 2.37 2.85 -0.62 -1.69 118.16 118.57 1mt3 n LYS 157 Ca -0.16 -0.17 -0.03 0.00 -1.05 0.00 0.00 58.31 56.90 1mt3 n LYS 157 Cb 1.08 -1.39 -0.01 0.00 -0.65 0.00 0.00 35.03 34.06 1mt3 n LYS 157 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1mt3 n LYS 158 N -0.70 0.18 0.21 -1.58 5.02 -0.57 -4.50 118.16 116.22 1mt3 n LYS 158 Ca 0.18 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 1mt3 n LYS 158 Cb 0.12 -0.81 0.34 0.00 -0.02 0.00 0.00 35.03 34.66 1mt3 n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1mt3 h TYR 159 N -0.35 0.00 0.00 2.13 -1.99 -1.60 -3.05 116.97 112.11 1mt3 h TYR 159 Ca 0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1mt3 h TYR 159 Cb 0.35 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 1mt3 h TYR 159 CO -0.15 0.00 -0.63 0.78 -0.00 0.00 0.00 178.16 178.16 1mt3 h GLY 160 N 3.58 0.00 1.62 3.88 0.00 -1.47 0.02 103.07 110.71 1mt3 h GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mt3 h GLY 160 CO 0.00 0.00 -0.10 1.44 0.00 0.00 0.00 176.54 177.88 1mt3 n SER 161 N -3.48 0.14 -0.06 0.19 7.64 -1.16 -3.52 113.62 113.38 1mt3 n SER 161 Ca 0.00 0.13 0.01 0.00 1.01 0.00 0.00 58.87 60.02 1mt3 n SER 161 Cb 0.70 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.63 1mt3 n SER 161 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1mt3 n SER 162 N -1.39 1.99 -0.14 6.43 3.41 -1.18 -4.97 113.62 117.77 1mt3 n SER 162 Ca 0.09 -1.90 -0.02 0.00 -0.26 0.00 0.00 58.87 56.78 1mt3 n SER 162 Cb 0.31 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1mt3 n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mt3 n GLY 163 N -0.35 0.44 2.15 5.00 0.00 -1.14 -4.89 105.19 106.41 1mt3 n GLY 163 Ca 0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1mt3 n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mt3 n SER 164 N -0.22 6.22 0.21 1.61 7.64 -0.02 -4.50 113.62 124.56 1mt3 n SER 164 Ca -0.02 -2.63 0.15 0.00 1.01 0.00 0.00 58.87 57.38 1mt3 n SER 164 Cb 0.23 -1.42 0.69 0.00 -1.01 0.00 0.00 64.21 62.70 1mt3 n SER 164 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1mt3 h TYR 165 N 3.45 0.00 0.00 1.43 0.99 -1.91 -2.00 116.97 118.93 1mt3 h TYR 165 Ca 0.37 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.04 1mt3 h TYR 165 Cb 1.11 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.83 1mt3 h TYR 165 CO 1.75 0.00 -0.61 1.05 -0.00 0.00 0.00 178.16 180.35 1mt3 h GLU 166 N 0.00 0.00 -6.37 4.88 9.09 -1.94 -3.41 114.58 116.83 1mt3 h GLU 166 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.79 1mt3 h GLU 166 Cb 0.24 0.00 0.11 0.00 -1.65 0.00 0.00 28.75 27.45 1mt3 h GLU 166 CO 0.00 0.20 0.04 -1.71 0.05 0.00 0.00 179.01 177.59 1mt3 n ASN 167 N -3.01 0.88 -0.21 3.06 5.15 -0.75 -4.79 115.26 115.58 1mt3 n ASN 167 Ca 0.00 1.17 -0.08 0.00 -0.60 0.00 0.00 54.58 55.06 1mt3 n ASN 167 Cb 0.65 -1.22 0.02 0.00 -0.53 0.00 0.00 39.78 38.70 1mt3 n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1mt3 h PRO 168 N 2.03 0.95 0.00 1.20 0.13 -1.90 -1.88 132.00 132.54 1mt3 h PRO 168 Ca -0.38 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1mt3 h PRO 168 Cb 1.36 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1mt3 h PRO 168 CO 0.61 0.89 0.00 0.39 -0.23 0.00 0.00 178.00 179.66 1mt3 n GLU 169 N -4.35 0.06 -0.05 0.86 1.02 -1.26 -0.99 120.64 115.94 1mt3 n GLU 169 Ca 0.03 0.44 -0.20 0.00 -0.02 0.00 0.00 57.16 57.42 1mt3 n GLU 169 Cb 0.25 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 1mt3 n GLU 169 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1mt3 n TYR 170 N -1.77 0.77 0.13 -0.32 9.36 -0.78 -3.65 117.16 120.90 1mt3 n TYR 170 Ca 0.01 0.17 -0.01 0.00 3.32 0.00 0.00 57.90 61.39 1mt3 n TYR 170 Cb 0.09 -1.10 0.23 0.00 -0.63 0.00 0.00 39.34 37.93 1mt3 n TYR 170 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1mt3 h GLN 171 N 0.04 0.10 0.00 2.98 5.75 -0.64 -2.11 115.11 121.22 1mt3 h GLN 171 Ca -0.48 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 57.89 1mt3 h GLN 171 Cb 1.99 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.53 1mt3 h GLN 171 CO 0.02 0.57 -0.36 1.49 -2.65 0.00 0.00 178.83 177.91 1mt3 h GLU 172 N 0.08 0.00 0.00 1.69 4.81 -1.22 -1.93 114.58 118.01 1mt3 h GLU 172 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1mt3 h GLU 172 Cb 0.90 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1mt3 h GLU 172 CO 0.07 0.36 -1.00 0.00 -0.73 0.00 0.00 179.01 177.71 1mt3 h ALA 173 N 1.64 0.35 -0.09 2.92 0.00 -1.50 -3.04 119.26 119.55 1mt3 h ALA 173 Ca -0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 54.91 53.83 1mt3 h ALA 173 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1mt3 h ALA 173 CO 0.05 1.24 -0.66 0.28 0.00 0.00 0.00 179.25 180.16 1mt3 h VAL 174 N 0.00 1.37 -0.19 0.00 2.07 -0.98 -2.70 116.25 115.81 1mt3 h VAL 174 Ca -0.01 -2.04 -0.18 0.00 0.82 0.00 0.00 66.70 65.29 1mt3 h VAL 174 Cb 1.77 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1mt3 h VAL 174 CO 0.13 0.61 -0.59 0.78 0.02 0.00 0.00 177.57 178.52 1mt3 h ASN 175 N 0.27 0.71 -0.08 0.57 -0.26 -1.41 -1.10 115.58 114.28 1mt3 h ASN 175 Ca -0.02 -0.40 -0.00 0.00 -0.56 0.00 0.00 56.30 55.32 1mt3 h ASN 175 Cb 1.21 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 38.27 1mt3 h ASN 175 CO 0.11 1.14 0.03 0.22 -1.06 0.00 0.00 177.43 177.87 1mt3 h TYR 176 N 0.47 0.12 0.12 1.19 3.20 -1.53 -1.23 116.97 119.32 1mt3 h TYR 176 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1mt3 h TYR 176 Cb 1.16 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 1mt3 h TYR 176 CO 0.05 0.24 -0.07 0.35 -1.64 0.00 0.00 178.16 177.10 1mt3 h PHE 177 N -0.03 -0.18 -0.93 -3.82 3.04 -1.42 -2.84 116.94 110.76 1mt3 h PHE 177 Ca 0.03 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.07 1mt3 h PHE 177 Cb 0.17 0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.67 1mt3 h PHE 177 CO -0.02 -0.11 0.57 1.88 -2.02 0.00 0.00 178.31 178.62 1mt3 h TYR 178 N -0.18 1.04 -0.07 0.41 -1.99 -1.15 0.28 116.97 115.31 1mt3 h TYR 178 Ca -0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1mt3 h TYR 178 Cb 0.15 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.55 1mt3 h TYR 178 CO -0.08 0.46 0.00 0.72 -0.00 0.00 0.00 178.16 179.26 1mt3 n HIS 179 N -4.64 0.10 0.00 4.88 8.25 -0.47 0.10 115.22 123.44 1mt3 n HIS 179 Ca 0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1mt3 n HIS 179 Cb 0.27 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1mt3 n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1mt3 n GLN 180 N -0.27 1.16 0.00 -0.41 -0.06 -0.53 -4.49 117.38 112.78 1mt3 n GLN 180 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1mt3 n GLN 180 Cb 0.08 -0.89 0.00 0.00 -4.06 0.00 0.00 30.24 25.37 1mt3 n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1mt3 n HIS 181 N -2.06 0.00 -0.09 3.69 8.25 0.87 -4.80 115.22 121.08 1mt3 n HIS 181 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1mt3 n HIS 181 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 1mt3 n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1mt3 n LEU 182 N -0.32 1.57 -3.67 2.41 7.94 0.11 -1.20 117.00 123.85 1mt3 n LEU 182 Ca 0.00 0.27 -0.09 0.00 -1.11 0.00 0.00 56.01 55.07 1mt3 n LEU 182 Cb 0.03 -0.63 -0.10 0.00 0.53 0.00 0.00 43.42 43.25 1mt3 n LEU 182 CO 0.00 0.15 0.03 -0.22 -1.11 0.00 0.00 177.39 176.24 1mt3 s LEU 183 N -7.33 -0.46 -0.64 -1.96 0.20 -0.49 -0.39 118.68 107.61 1mt3 s LEU 183 Ca -0.27 0.94 -0.01 0.00 0.69 0.00 0.00 54.13 55.48 1mt3 s LEU 183 Cb 0.08 1.32 0.48 0.00 -0.43 0.00 0.00 46.19 47.64 1mt3 s LEU 183 CO 0.35 -0.22 2.02 0.54 -0.29 0.00 0.00 176.35 178.75 1mt3 n ARG 184 N 5.04 2.64 -4.21 1.98 1.74 -1.26 -4.24 116.66 118.34 1mt3 n ARG 184 Ca -0.13 -3.26 -0.26 0.00 -0.77 0.00 0.00 57.85 53.43 1mt3 n ARG 184 Cb 0.51 -2.28 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 1mt3 n ARG 184 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1mt3 s SER 185 N -1.77 4.74 0.01 0.55 0.15 -1.26 -5.04 113.70 111.08 1mt3 s SER 185 Ca 0.64 -0.41 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 1mt3 s SER 185 Cb 0.51 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 1mt3 s SER 185 CO 0.01 0.09 1.12 -0.33 1.20 0.00 0.00 173.24 175.32 1mt3 h GLU 186 N 2.68 -0.34 -4.63 5.44 5.08 -2.00 -3.39 114.58 117.42 1mt3 h GLU 186 Ca -0.47 0.02 -0.71 0.00 -1.00 0.00 0.00 59.36 57.20 1mt3 h GLU 186 Cb 1.20 0.08 -0.20 0.00 0.50 0.00 0.00 28.75 30.33 1mt3 h GLU 186 CO 0.58 -0.23 0.18 0.34 -1.00 0.00 0.00 179.01 178.88 1mt3 s ASP 187 N -2.56 6.28 0.07 1.42 3.68 -1.26 -5.03 116.67 119.27 1mt3 s ASP 187 Ca -0.05 -1.62 -0.31 0.00 2.13 0.00 0.00 52.55 52.70 1mt3 s ASP 187 Cb 0.01 -2.30 -0.09 0.00 -1.45 0.00 0.00 42.92 39.09 1mt3 s ASP 187 CO 0.16 -1.06 1.74 0.26 0.13 0.00 0.00 175.17 176.40 1mt3 s TRP 188 N 2.43 2.16 1.06 -5.34 0.52 -1.26 -4.94 118.94 113.57 1mt3 s TRP 188 Ca 0.14 0.12 -0.15 0.00 0.02 0.00 0.00 56.10 56.23 1mt3 s TRP 188 Cb -0.21 -4.05 0.13 0.00 -1.15 0.00 0.00 33.47 28.19 1mt3 s TRP 188 CO 0.03 -4.35 0.49 -0.35 0.02 0.00 0.00 176.95 172.79 1mt3 n PRO 189 N 6.00 -1.27 -0.04 4.98 -0.04 -1.26 -4.87 135.00 138.51 1mt3 n PRO 189 Ca 0.17 -0.34 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 1mt3 n PRO 189 Cb 0.40 -1.93 0.11 0.00 -0.04 0.00 0.00 33.50 32.04 1mt3 n PRO 189 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1mt3 h PRO 190 N -2.04 0.66 0.00 0.54 0.11 -2.01 -3.10 132.00 126.17 1mt3 h PRO 190 Ca -0.51 -0.29 -0.03 0.00 0.11 0.00 0.00 66.00 65.28 1mt3 h PRO 190 Cb 1.32 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1mt3 h PRO 190 CO 0.40 0.88 -0.13 0.93 -0.21 0.00 0.00 178.00 179.86 1mt3 h GLU 191 N 0.56 0.00 -0.10 1.05 3.07 -1.91 -1.76 114.58 115.50 1mt3 h GLU 191 Ca 0.07 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.80 1mt3 h GLU 191 Cb 0.80 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1mt3 h GLU 191 CO 0.07 0.13 -0.43 0.28 -1.40 0.00 0.00 179.01 177.66 1mt3 h VAL 192 N 0.00 1.38 -0.36 3.13 2.07 -1.83 -2.99 116.25 117.65 1mt3 h VAL 192 Ca -0.00 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 1mt3 h VAL 192 Cb 0.27 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1mt3 h VAL 192 CO 0.02 0.52 -0.03 -0.07 0.02 0.00 0.00 177.57 178.04 1mt3 h LEU 193 N 0.04 0.55 -0.38 2.57 3.38 -1.43 -1.10 115.31 118.94 1mt3 h LEU 193 Ca -0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1mt3 h LEU 193 Cb 1.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1mt3 h LEU 193 CO 0.09 0.64 0.11 0.50 0.09 0.00 0.00 178.44 179.86 1mt3 h LYS 194 N 0.55 0.60 -0.51 1.13 3.64 -1.37 0.31 116.57 120.92 1mt3 h LYS 194 Ca 0.11 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1mt3 h LYS 194 Cb 0.39 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1mt3 h LYS 194 CO 0.02 0.62 -0.04 0.77 -2.27 0.00 0.00 179.45 178.55 1mt3 h SER 195 N 0.47 0.86 -0.29 4.20 0.02 -1.35 0.19 113.55 117.65 1mt3 h SER 195 Ca 0.12 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1mt3 h SER 195 Cb 0.28 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1mt3 h SER 195 CO -0.00 0.94 0.07 -0.07 -1.14 0.00 0.00 176.83 176.63 1mt3 h LEU 196 N 0.81 0.45 -0.27 5.07 3.38 -0.93 -0.21 115.31 123.61 1mt3 h LEU 196 Ca 0.15 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1mt3 h LEU 196 Cb 0.54 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1mt3 h LEU 196 CO 0.03 0.57 0.11 -0.08 0.09 0.00 0.00 178.44 179.16 1mt3 h GLU 197 N 0.31 0.24 -0.54 1.13 4.57 -0.08 -2.06 114.58 118.14 1mt3 h GLU 197 Ca 0.09 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1mt3 h GLU 197 Cb 0.30 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1mt3 h GLU 197 CO 0.00 0.16 0.36 1.88 -1.18 0.00 0.00 179.01 180.23 1mt3 h TYR 198 N 0.24 0.68 -0.46 0.92 0.05 -0.39 0.12 116.97 118.14 1mt3 h TYR 198 Ca 0.12 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1mt3 h TYR 198 Cb 0.06 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 1mt3 h TYR 198 CO -0.11 0.42 0.23 0.00 -1.05 0.00 0.00 178.16 177.65 1mt3 h ALA 199 N 1.66 0.59 0.00 3.88 0.00 -0.34 -1.99 119.26 123.06 1mt3 h ALA 199 Ca 0.20 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1mt3 h ALA 199 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1mt3 h ALA 199 CO -0.04 0.13 -0.70 1.49 0.00 0.00 0.00 179.25 180.12 1mt3 h GLU 200 N 0.60 0.00 -0.13 0.00 4.81 -1.02 -3.32 114.58 115.51 1mt3 h GLU 200 Ca 0.16 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1mt3 h GLU 200 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1mt3 h GLU 200 CO -0.02 0.70 -0.30 0.00 -0.73 0.00 0.00 179.01 178.66 1mt3 h ARG 201 N 0.00 0.43 0.00 1.92 2.47 -0.74 -3.46 114.38 115.00 1mt3 h ARG 201 Ca -0.01 -0.29 -0.21 0.00 -1.26 0.00 0.00 59.98 58.20 1mt3 h ARG 201 Cb 1.35 0.04 0.07 0.00 -1.65 0.00 0.00 29.97 29.78 1mt3 h ARG 201 CO 0.09 0.90 0.15 0.54 0.56 0.00 0.00 179.97 182.22 1mt3 n ARG 202 N -4.40 -0.31 0.00 0.04 5.12 -0.77 -5.04 116.66 111.31 1mt3 n ARG 202 Ca -0.07 -1.11 0.07 0.00 -1.93 0.00 0.00 57.85 54.81 1mt3 n ARG 202 Cb 0.48 -0.54 -0.01 0.00 -1.16 0.00 0.00 32.46 31.22 1mt3 n ARG 202 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1mt3 n ASN 203 N -3.25 1.35 0.12 0.55 3.02 -1.26 -4.69 115.26 111.10 1mt3 n ASN 203 Ca 0.08 -1.18 -0.13 0.00 -0.03 0.00 0.00 54.58 53.32 1mt3 n ASN 203 Cb 0.28 0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 39.92 1mt3 n ASN 203 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1mt3 h VAL 204 N 1.32 0.84 0.35 2.41 2.07 -1.87 -2.67 116.25 118.71 1mt3 h VAL 204 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1mt3 h VAL 204 Cb 0.45 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1mt3 h VAL 204 CO 0.00 0.00 -0.26 0.22 0.02 0.00 0.00 177.57 177.55 1mt3 h TYR 205 N -0.21 -0.67 -0.74 1.57 3.20 -1.75 -2.87 116.97 115.50 1mt3 h TYR 205 Ca -0.02 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.96 1mt3 h TYR 205 Cb 0.17 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 1mt3 h TYR 205 CO -0.07 -0.39 0.34 -0.09 -1.64 0.00 0.00 178.16 176.32 1mt3 h ARG 206 N -0.60 0.52 0.00 1.82 2.43 -1.71 0.97 114.38 117.82 1mt3 h ARG 206 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1mt3 h ARG 206 Cb 0.52 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1mt3 h ARG 206 CO 0.01 0.35 0.00 -0.89 -1.51 0.00 0.00 179.97 177.92 1mt3 n ILE 207 N -4.92 0.00 0.00 1.20 5.41 -1.01 -3.29 119.36 116.75 1mt3 n ILE 207 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1mt3 n ILE 207 Cb 0.35 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 1mt3 n ILE 207 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1mt3 n ASN 209 N -0.73 0.00 0.00 4.38 2.85 0.11 -1.86 115.26 120.02 1mt3 n ASN 209 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1mt3 n ASN 209 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1mt3 n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mt3 n GLY 210 N -0.56 0.96 0.35 8.20 0.00 0.10 -0.12 105.19 114.12 1mt3 n GLY 210 Ca 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.12 1mt3 n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mt3 h PRO 211 N 5.03 1.04 -2.92 1.61 0.11 -1.83 -3.35 132.00 131.70 1mt3 h PRO 211 Ca 0.00 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.07 1mt3 h PRO 211 Cb 0.00 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1mt3 h PRO 211 CO 0.00 0.69 0.32 0.54 -0.21 0.00 0.00 178.00 179.34 1mt3 s ASN 212 N -5.84 -0.03 0.32 -2.05 2.20 -1.26 -5.02 114.94 103.27 1mt3 s ASN 212 Ca -0.13 -1.00 0.11 0.00 -0.94 0.00 0.00 52.86 50.90 1mt3 s ASN 212 Cb 0.19 0.78 0.94 0.00 -2.00 0.00 0.00 41.25 41.16 1mt3 s ASN 212 CO 0.80 -1.54 1.70 -0.33 -2.94 0.00 0.00 177.10 174.79 1mt3 h GLU 213 N 2.00 0.44 -0.55 3.55 4.39 -1.96 -1.62 114.58 120.83 1mt3 h GLU 213 Ca -0.30 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1mt3 h GLU 213 Cb 1.25 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1mt3 h GLU 213 CO 0.38 0.29 0.00 1.97 -1.16 0.00 0.00 179.01 180.49 1mt3 n PHE 214 N -4.98 0.88 -3.32 4.33 1.16 -1.26 -4.57 117.46 109.70 1mt3 n PHE 214 Ca 0.28 -0.54 -0.26 0.00 -1.87 0.00 0.00 57.45 55.06 1mt3 n PHE 214 Cb 0.82 -0.07 -0.07 0.00 -1.61 0.00 0.00 39.48 38.55 1mt3 n PHE 214 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1mt3 n THR 215 N 1.01 1.71 -2.83 1.97 -1.04 -0.61 -4.98 114.28 109.52 1mt3 n THR 215 Ca 0.20 -4.98 -0.43 0.00 -2.04 0.00 0.00 64.05 56.79 1mt3 n THR 215 Cb 0.61 -1.94 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 1mt3 n THR 215 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1mt3 s ILE 216 N -2.40 4.61 -1.58 12.58 2.07 -1.26 -3.58 121.20 131.64 1mt3 s ILE 216 Ca 0.40 -1.84 0.16 0.00 -1.41 0.00 0.00 60.65 57.95 1mt3 s ILE 216 Cb 0.17 -4.93 0.32 0.00 0.13 0.00 0.00 42.46 38.16 1mt3 s ILE 216 CO -0.05 -1.69 1.23 0.35 -1.91 0.00 0.00 174.94 172.88 1mt3 n THR 217 N 5.56 0.62 -0.65 4.00 -2.24 -0.78 -4.61 114.28 116.18 1mt3 n THR 217 Ca 0.33 -0.81 -0.04 0.00 -2.27 0.00 0.00 64.05 61.25 1mt3 n THR 217 Cb 0.47 0.81 0.04 0.00 -2.10 0.00 0.00 70.33 69.55 1mt3 n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mt3 n GLY 218 N 0.94 -2.33 0.27 3.38 0.00 0.83 -4.86 105.19 103.42 1mt3 n GLY 218 Ca 0.14 -1.48 0.18 0.00 0.00 0.00 0.00 46.02 44.86 1mt3 n GLY 218 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1mt3 h THR 219 N -1.62 0.00 -0.17 2.61 1.35 -1.66 -2.52 112.91 110.90 1mt3 h THR 219 Ca -0.06 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1mt3 h THR 219 Cb 0.19 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1mt3 h THR 219 CO 0.04 0.00 0.00 2.30 -0.25 0.00 0.00 175.52 177.61 1mt3 n ILE 220 N -2.88 0.22 -0.42 6.82 -5.35 -1.26 -4.50 119.36 111.99 1mt3 n ILE 220 Ca -0.01 -0.39 0.35 0.00 -0.27 0.00 0.00 62.75 62.43 1mt3 n ILE 220 Cb 0.18 0.49 0.66 0.00 -1.74 0.00 0.00 39.64 39.23 1mt3 n ILE 220 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1mt3 h LYS 221 N 2.57 0.13 -0.26 6.28 2.10 -1.70 0.10 116.57 125.79 1mt3 h LYS 221 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1mt3 h LYS 221 Cb 0.56 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1mt3 h LYS 221 CO 0.00 0.09 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 1mt3 n ASP 222 N -4.44 2.92 -4.73 7.07 10.43 -1.26 -4.09 116.55 122.45 1mt3 n ASP 222 Ca 0.32 -1.86 -0.42 0.00 2.57 0.00 0.00 54.79 55.40 1mt3 n ASP 222 Cb 1.32 -0.16 -0.02 0.00 1.84 0.00 0.00 41.12 44.10 1mt3 n ASP 222 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 1mt3 n TRP 223 N 1.06 2.71 -3.15 1.24 -0.00 0.35 -4.83 117.44 114.81 1mt3 n TRP 223 Ca 0.14 0.28 0.05 0.00 -0.00 0.00 0.00 57.50 57.96 1mt3 n TRP 223 Cb 0.48 -2.57 -0.01 0.00 -0.00 0.00 0.00 31.31 29.21 1mt3 n TRP 223 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1mt3 s ASP 224 N 0.49 -0.99 -0.26 5.87 3.68 -1.26 -0.28 116.67 123.93 1mt3 s ASP 224 Ca 0.66 0.57 0.09 0.00 2.13 0.00 0.00 52.55 55.99 1mt3 s ASP 224 Cb -0.53 1.81 0.44 0.00 -1.45 0.00 0.00 42.92 43.19 1mt3 s ASP 224 CO 0.48 -0.18 1.23 2.30 0.13 0.00 0.00 175.17 179.13 1mt3 n ILE 225 N 5.44 2.39 -0.12 4.11 -5.35 0.86 -4.75 119.36 121.94 1mt3 n ILE 225 Ca -0.03 -3.66 0.05 0.00 -0.27 0.00 0.00 62.75 58.84 1mt3 n ILE 225 Cb 0.53 -0.66 0.37 0.00 -1.74 0.00 0.00 39.64 38.13 1mt3 n ILE 225 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1mt3 h THR 226 N 1.53 1.07 0.00 7.28 2.02 -1.93 -1.81 112.91 121.07 1mt3 h THR 226 Ca 0.19 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1mt3 h THR 226 Cb 1.27 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1mt3 h THR 226 CO 0.39 0.13 0.00 -0.90 0.37 0.00 0.00 175.52 175.51 1mt3 n ASP 227 N -4.46 0.00 -0.07 4.18 5.75 -1.26 -3.66 116.55 117.02 1mt3 n ASP 227 Ca 0.08 0.16 -0.06 0.00 -0.01 0.00 0.00 54.79 54.95 1mt3 n ASP 227 Cb 0.14 -0.36 -0.12 0.00 -1.03 0.00 0.00 41.12 39.75 1mt3 n ASP 227 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1mt3 n LYS 228 N -1.36 1.39 0.32 0.11 4.76 -0.69 -4.66 118.16 118.03 1mt3 n LYS 228 Ca 0.09 -0.02 0.21 0.00 -2.87 0.00 0.00 58.31 55.71 1mt3 n LYS 228 Cb 0.20 -1.40 1.05 0.00 -1.84 0.00 0.00 35.03 33.05 1mt3 n LYS 228 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1mt3 h ILE 229 N 0.00 0.00 0.00 -0.18 3.07 -1.60 -1.85 117.51 116.95 1mt3 h ILE 229 Ca -0.38 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1mt3 h ILE 229 Cb 1.83 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 39.55 1mt3 h ILE 229 CO 0.02 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.58 1mt3 n SER 230 N -3.09 0.19 0.14 2.16 3.41 -1.25 -0.40 113.62 114.79 1mt3 n SER 230 Ca -0.02 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1mt3 n SER 230 Cb 0.15 -0.60 0.43 0.00 -0.26 0.00 0.00 64.21 63.92 1mt3 n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mt3 h ALA 231 N 2.19 1.00 -2.22 7.33 0.00 -1.61 -3.44 119.26 122.51 1mt3 h ALA 231 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1mt3 h ALA 231 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1mt3 h ALA 231 CO 0.00 0.00 0.84 0.42 0.00 0.00 0.00 179.25 180.51 1mt3 s ILE 232 N -3.23 4.20 -0.61 0.00 1.01 0.47 -4.89 121.20 118.14 1mt3 s ILE 232 Ca 0.07 1.48 0.06 0.00 0.00 0.00 0.00 60.65 62.27 1mt3 s ILE 232 Cb 0.10 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1mt3 s ILE 232 CO 0.54 -0.08 0.52 0.29 0.00 0.00 0.00 174.94 176.21 1mt3 n LYS 233 N 6.10 2.11 -1.65 2.79 4.01 -1.26 -4.57 118.16 125.68 1mt3 n LYS 233 Ca 0.13 -0.52 -0.30 0.00 -0.51 0.00 0.00 58.31 57.11 1mt3 n LYS 233 Cb 0.45 -0.98 0.06 0.00 -0.51 0.00 0.00 35.03 34.05 1mt3 n LYS 233 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1mt3 s ILE 234 N -0.99 3.62 0.35 -0.18 -4.36 -1.26 -4.99 121.20 113.38 1mt3 s ILE 234 Ca 0.06 0.53 -0.29 0.00 -0.26 0.00 0.00 60.65 60.68 1mt3 s ILE 234 Cb 0.05 -3.34 -0.11 0.00 1.25 0.00 0.00 42.46 40.31 1mt3 s ILE 234 CO 0.15 -0.69 1.54 -2.84 0.24 0.00 0.00 174.94 173.34 1mt3 s PRO 235 N -5.16 4.10 -0.04 0.37 0.02 -1.26 -4.87 135.00 128.17 1mt3 s PRO 235 Ca 0.59 2.60 -0.03 0.00 0.02 0.00 0.00 61.00 64.18 1mt3 s PRO 235 Cb -0.13 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.42 1mt3 s PRO 235 CO 0.54 -0.59 0.09 0.99 -0.33 0.00 0.00 177.00 177.70 1mt3 s THR 236 N -0.69 -0.01 -0.17 0.99 2.01 -1.26 -1.34 115.64 115.17 1mt3 s THR 236 Ca 0.57 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.62 1mt3 s THR 236 Cb -0.47 -0.14 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1mt3 s THR 236 CO 0.58 0.02 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.13 1mt3 s LEU 237 N 0.30 2.28 -0.15 4.42 2.96 0.36 -0.89 118.68 127.95 1mt3 s LEU 237 Ca -0.02 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1mt3 s LEU 237 Cb -0.03 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 1mt3 s LEU 237 CO -0.01 0.04 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.31 1mt3 s ILE 238 N 1.06 3.04 0.16 6.68 1.01 0.31 -0.81 121.20 132.65 1mt3 s ILE 238 Ca -0.01 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.08 1mt3 s ILE 238 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1mt3 s ILE 238 CO -0.06 0.50 -0.19 0.42 0.00 0.00 0.00 174.94 175.62 1mt3 s THR 239 N 0.69 1.83 -0.15 2.92 -4.23 -0.22 -0.10 115.64 116.38 1mt3 s THR 239 Ca -0.06 -1.89 -0.28 0.00 -1.18 0.00 0.00 61.69 58.28 1mt3 s THR 239 Cb -0.15 -1.83 0.07 0.00 1.34 0.00 0.00 72.50 71.93 1mt3 s THR 239 CO 0.02 -0.29 0.71 0.54 -0.54 0.00 0.00 174.62 175.07 1mt3 s VAL 240 N -1.96 0.00 0.48 2.29 0.11 -0.55 -1.64 120.40 119.13 1mt3 s VAL 240 Ca 0.15 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1mt3 s VAL 240 Cb -0.06 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.72 1mt3 s VAL 240 CO 0.07 0.00 0.92 -0.83 -3.33 0.00 0.00 175.10 171.93 1mt3 s GLY 241 N -0.53 2.02 0.17 6.54 0.00 -1.09 -0.47 107.32 113.97 1mt3 s GLY 241 Ca -0.06 0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.58 1mt3 s GLY 241 CO 0.06 0.31 1.81 -2.09 0.00 0.00 0.00 173.10 173.18 1mt3 h GLU 242 N 0.99 0.57 -0.62 2.90 4.81 -0.04 -2.47 114.58 120.72 1mt3 h GLU 242 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1mt3 h GLU 242 Cb 1.19 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1mt3 h GLU 242 CO 0.62 0.38 0.00 0.66 -0.73 0.00 0.00 179.01 179.94 1mt3 n TYR 243 N -4.81 1.86 -1.64 0.92 4.01 -0.01 -4.83 117.16 112.66 1mt3 n TYR 243 Ca 0.03 -0.68 -0.50 0.00 -0.16 0.00 0.00 57.90 56.59 1mt3 n TYR 243 Cb 0.08 -0.40 -0.05 0.00 -0.31 0.00 0.00 39.34 38.65 1mt3 n TYR 243 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1mt3 n ASP 244 N 0.87 2.37 0.28 7.72 4.64 -0.93 -4.24 116.55 127.25 1mt3 n ASP 244 Ca 0.27 1.09 0.13 0.00 -1.38 0.00 0.00 54.79 54.90 1mt3 n ASP 244 Cb 1.08 -1.28 0.79 0.00 -1.04 0.00 0.00 41.12 40.67 1mt3 n ASP 244 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 1mt3 h GLU 245 N 5.72 0.00 -3.65 -0.67 4.11 -1.46 -2.76 114.58 115.88 1mt3 h GLU 245 Ca -0.47 0.00 -0.77 0.00 0.07 0.00 0.00 59.36 58.19 1mt3 h GLU 245 Cb 1.30 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.26 1mt3 h GLU 245 CO 0.85 0.06 0.11 0.08 0.07 0.00 0.00 179.01 180.18 1mt3 s VAL 246 N -4.53 5.29 0.76 -1.06 1.01 -1.26 -5.01 120.40 115.59 1mt3 s VAL 246 Ca -0.04 -3.01 -0.17 0.00 0.00 0.00 0.00 61.98 58.76 1mt3 s VAL 246 Cb 0.15 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 1mt3 s VAL 246 CO 0.58 -1.06 -0.29 0.35 0.00 0.00 0.00 175.10 174.69 1mt3 n THR 247 N 3.31 0.26 0.25 3.92 -2.24 -1.04 -4.72 114.28 114.03 1mt3 n THR 247 Ca 0.17 -0.47 0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1mt3 n THR 247 Cb 0.42 -0.13 0.65 0.00 -2.10 0.00 0.00 70.33 69.16 1mt3 n THR 247 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1mt3 h PRO 248 N -0.53 0.00 -0.62 -0.78 0.13 -1.83 0.41 132.00 128.78 1mt3 h PRO 248 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1mt3 h PRO 248 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 1mt3 h PRO 248 CO 0.34 0.14 0.41 -0.91 -0.23 0.00 0.00 178.00 177.74 1mt3 h ASN 249 N 0.00 0.68 0.05 1.44 2.35 -1.98 0.62 115.58 118.74 1mt3 h ASN 249 Ca -0.00 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 1mt3 h ASN 249 Cb 0.30 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1mt3 h ASN 249 CO 0.02 0.48 -0.41 0.58 -1.65 0.00 0.00 177.43 176.45 1mt3 h VAL 250 N 0.80 1.31 -0.20 2.81 2.07 -1.25 -2.53 116.25 119.25 1mt3 h VAL 250 Ca 0.23 -1.56 -0.19 0.00 0.82 0.00 0.00 66.70 66.00 1mt3 h VAL 250 Cb -0.03 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1mt3 h VAL 250 CO -0.06 0.48 -0.65 0.00 0.02 0.00 0.00 177.57 177.37 1mt3 h ALA 251 N 1.19 0.48 -0.79 1.67 0.00 -0.49 -3.23 119.26 118.09 1mt3 h ALA 251 Ca 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1mt3 h ALA 251 Cb 0.88 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1mt3 h ALA 251 CO 0.07 0.69 0.51 -0.09 0.00 0.00 0.00 179.25 180.44 1mt3 h ARG 252 N 0.53 0.99 -0.96 0.00 2.43 0.56 -1.22 114.38 116.71 1mt3 h ARG 252 Ca -0.01 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1mt3 h ARG 252 Cb 1.24 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 1mt3 h ARG 252 CO 0.13 0.66 0.62 0.28 -1.51 0.00 0.00 179.97 180.15 1mt3 h VAL 253 N 1.02 1.02 -0.06 0.20 2.07 -1.48 0.83 116.25 119.85 1mt3 h VAL 253 Ca 0.31 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1mt3 h VAL 253 Cb -0.04 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.61 1mt3 h VAL 253 CO -0.09 0.19 -0.04 0.40 0.02 0.00 0.00 177.57 178.05 1mt3 h ILE 254 N 1.05 1.34 -0.24 4.57 2.04 -1.40 -3.09 117.51 121.78 1mt3 h ILE 254 Ca 0.43 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1mt3 h ILE 254 Cb 0.30 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1mt3 h ILE 254 CO -0.19 0.30 -0.18 -0.74 0.00 0.00 0.00 178.15 177.34 1mt3 h HIS 255 N -0.27 -0.45 -0.86 1.37 2.76 -0.35 -2.21 115.15 115.13 1mt3 h HIS 255 Ca 0.01 0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.37 1mt3 h HIS 255 Cb 0.49 0.24 -0.10 0.00 1.55 0.00 0.00 27.41 29.59 1mt3 h HIS 255 CO 0.08 -0.25 0.44 0.93 -1.30 0.00 0.00 177.93 177.82 1mt3 h GLU 256 N -0.17 0.59 0.00 5.26 5.08 -0.91 -2.54 114.58 121.89 1mt3 h GLU 256 Ca 0.14 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1mt3 h GLU 256 Cb 0.37 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1mt3 h GLU 256 CO -0.34 0.39 -0.70 0.87 -1.00 0.00 0.00 179.01 178.23 1mt3 h LYS 257 N 0.60 0.00 -4.10 2.33 6.56 -1.35 -3.41 116.57 117.21 1mt3 h LYS 257 Ca 0.48 0.00 -0.75 0.00 -1.06 0.00 0.00 60.65 59.32 1mt3 h LYS 257 Cb 0.71 0.00 -0.27 0.00 -0.57 0.00 0.00 32.23 32.10 1mt3 h LYS 257 CO -0.38 0.70 -0.24 0.42 -2.06 0.00 0.00 179.45 177.89 1mt3 s ILE 258 N -3.39 4.86 0.31 1.86 1.01 -0.88 -3.83 121.20 121.13 1mt3 s ILE 258 Ca -0.01 -1.82 -0.29 0.00 0.00 0.00 0.00 60.65 58.53 1mt3 s ILE 258 Cb 0.12 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.34 1mt3 s ILE 258 CO 0.77 -0.86 1.42 0.00 0.00 0.00 0.00 174.94 176.27 1mt3 n ALA 259 N 4.85 1.68 -0.54 9.38 0.00 -1.26 -1.46 120.51 133.16 1mt3 n ALA 259 Ca -0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1mt3 n ALA 259 Cb 0.41 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1mt3 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mt3 n GLY 260 N 1.43 1.72 3.81 0.00 0.00 -1.26 -4.92 105.19 105.96 1mt3 n GLY 260 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1mt3 n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mt3 s SER 261 N -3.36 5.95 -0.00 1.61 1.04 -0.53 -4.59 113.70 113.82 1mt3 s SER 261 Ca 0.00 1.79 0.02 0.00 0.48 0.00 0.00 55.95 58.24 1mt3 s SER 261 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1mt3 s SER 261 CO 0.00 -1.05 -0.03 -1.61 0.98 0.00 0.00 173.24 171.53 1mt3 s GLU 262 N -4.00 2.69 -0.12 4.02 2.02 -0.07 -4.99 118.70 118.25 1mt3 s GLU 262 Ca 0.63 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.99 1mt3 s GLU 262 Cb -0.15 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1mt3 s GLU 262 CO 0.35 0.62 -0.19 -1.17 0.02 0.00 0.00 175.26 174.88 1mt3 s LEU 263 N -1.47 1.93 -0.13 1.80 2.96 -1.26 -0.53 118.68 121.98 1mt3 s LEU 263 Ca 0.18 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1mt3 s LEU 263 Cb -0.11 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.32 1mt3 s LEU 263 CO 0.09 0.06 -0.16 -2.28 -1.32 0.00 0.00 176.35 172.74 1mt3 s HIS 264 N 0.82 2.21 -0.39 5.38 5.65 0.86 -4.98 115.29 124.84 1mt3 s HIS 264 Ca -0.09 -1.15 -0.12 0.00 0.25 0.00 0.00 55.06 53.95 1mt3 s HIS 264 Cb -0.16 -1.58 0.03 0.00 -1.18 0.00 0.00 32.58 29.69 1mt3 s HIS 264 CO -0.00 -0.59 0.25 0.08 -0.65 0.00 0.00 174.74 173.82 1mt3 s VAL 265 N 1.16 4.81 -0.14 0.89 1.01 -1.26 -1.49 120.40 125.38 1mt3 s VAL 265 Ca -0.02 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1mt3 s VAL 265 Cb -0.14 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1mt3 s VAL 265 CO -0.06 -0.28 1.27 -0.36 0.00 0.00 0.00 175.10 175.67 1mt3 s PHE 266 N 1.59 2.86 0.51 5.22 0.40 0.38 -4.80 117.98 124.15 1mt3 s PHE 266 Ca 0.03 1.00 -0.21 0.00 -0.60 0.00 0.00 56.93 57.15 1mt3 s PHE 266 Cb -0.19 -3.51 -0.06 0.00 0.51 0.00 0.00 43.02 39.76 1mt3 s PHE 266 CO 0.08 -1.75 1.18 1.03 0.70 0.00 0.00 175.22 176.46 1mt3 s ARG 267 N 3.31 3.49 -1.19 0.44 1.81 -1.26 -0.88 118.95 124.67 1mt3 s ARG 267 Ca 0.56 1.78 0.00 0.00 -1.72 0.00 0.00 55.73 56.35 1mt3 s ARG 267 Cb -0.23 -2.22 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 1mt3 s ARG 267 CO 0.16 -0.77 0.00 -0.25 -0.68 0.00 0.00 175.30 173.76 1mt3 n ASP 268 N -0.90 -4.18 -4.63 0.23 9.92 -1.26 -4.85 116.55 110.88 1mt3 n ASP 268 Ca 0.10 0.28 -0.24 0.00 -0.53 0.00 0.00 54.79 54.39 1mt3 n ASP 268 Cb 0.49 -3.45 -0.08 0.00 -0.64 0.00 0.00 41.12 37.43 1mt3 n ASP 268 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mt3 n SER 270 N -0.95 0.00 -0.08 0.00 3.41 -1.26 -0.83 113.62 113.91 1mt3 n SER 270 Ca -0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1mt3 n SER 270 Cb 0.62 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 1mt3 n SER 270 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1mt3 h HIS 271 N 0.00 0.00 -1.22 7.33 2.76 -1.39 -2.88 115.15 119.74 1mt3 h HIS 271 Ca 0.00 0.00 -0.75 0.00 -2.20 0.00 0.00 60.37 57.42 1mt3 h HIS 271 Cb 0.00 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 28.83 1mt3 h HIS 271 CO 0.00 1.05 2.27 1.28 -1.30 0.00 0.00 177.93 181.23 1mt3 n LEU 272 N -4.58 7.33 -2.69 0.26 4.77 0.48 -4.82 117.00 117.76 1mt3 n LEU 272 Ca -0.15 -4.74 -0.05 0.00 -0.03 0.00 0.00 56.01 51.05 1mt3 n LEU 272 Cb 0.50 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1mt3 n LEU 272 CO 0.28 1.69 1.06 0.35 -1.33 0.00 0.00 177.39 179.44 1mt3 n THR 273 N 2.67 0.73 0.00 -5.08 -2.24 -1.26 -2.47 114.28 106.64 1mt3 n THR 273 Ca 0.51 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1mt3 n THR 273 Cb 0.31 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 1mt3 n THR 273 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1mt3 n TRP 275 N 3.68 0.00 0.01 4.78 7.02 -1.26 -1.97 117.44 129.69 1mt3 n TRP 275 Ca 0.12 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.55 1mt3 n TRP 275 Cb 0.13 0.00 0.15 0.00 -2.42 0.00 0.00 31.31 29.16 1mt3 n TRP 275 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1mt3 h GLU 276 N 0.00 0.51 -1.38 -0.99 5.08 -1.92 -3.33 114.58 112.56 1mt3 h GLU 276 Ca 0.00 -0.23 -0.43 0.00 -1.00 0.00 0.00 59.36 57.70 1mt3 h GLU 276 Cb 0.00 -0.01 -0.32 0.00 0.50 0.00 0.00 28.75 28.92 1mt3 h GLU 276 CO 0.00 0.79 -0.94 -3.47 -1.00 0.00 0.00 179.01 174.39 1mt3 n ASP 277 N -4.06 -0.45 -0.31 1.42 -0.08 -0.83 -5.00 116.55 107.23 1mt3 n ASP 277 Ca -0.01 -3.06 0.12 0.00 -1.51 0.00 0.00 54.79 50.32 1mt3 n ASP 277 Cb 0.47 0.15 0.29 0.00 2.34 0.00 0.00 41.12 44.37 1mt3 n ASP 277 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1mt3 h ARG 278 N 3.47 0.50 -0.04 -0.67 2.43 -1.68 -1.04 114.38 117.35 1mt3 h ARG 278 Ca 0.02 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1mt3 h ARG 278 Cb 0.97 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1mt3 h ARG 278 CO 0.40 0.33 -0.47 0.93 -1.51 0.00 0.00 179.97 179.66 1mt3 h GLU 279 N 0.51 0.39 0.00 0.20 3.07 -1.94 -1.25 114.58 115.56 1mt3 h GLU 279 Ca 0.54 -0.36 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 1mt3 h GLU 279 Cb 0.93 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1mt3 h GLU 279 CO -0.46 1.02 -0.43 0.78 -1.40 0.00 0.00 179.01 178.52 1mt3 h GLY 280 N -0.11 0.00 0.40 -3.84 0.00 -1.93 -1.07 103.07 96.51 1mt3 h GLY 280 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1mt3 h GLY 280 CO 0.09 0.00 -0.04 -1.82 0.00 0.00 0.00 176.54 174.78 1mt3 h TYR 281 N 0.00 -0.09 -0.73 5.60 3.20 -1.22 -0.69 116.97 123.03 1mt3 h TYR 281 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1mt3 h TYR 281 Cb 1.00 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1mt3 h TYR 281 CO 0.00 0.43 0.44 -0.91 -1.64 0.00 0.00 178.16 176.48 1mt3 h ASN 282 N -0.70 0.88 -0.07 -2.11 -0.26 -1.21 -1.89 115.58 110.21 1mt3 h ASN 282 Ca -0.01 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1mt3 h ASN 282 Cb 0.57 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1mt3 h ASN 282 CO 0.02 0.67 -0.00 0.50 -1.06 0.00 0.00 177.43 177.56 1mt3 h LYS 283 N 1.01 0.13 -0.36 0.81 3.64 -1.20 -0.61 116.57 120.00 1mt3 h LYS 283 Ca 0.26 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1mt3 h LYS 283 Cb -0.04 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1mt3 h LYS 283 CO -0.05 0.41 0.13 1.25 -2.27 0.00 0.00 179.45 178.93 1mt3 h LEU 284 N -0.16 0.15 -0.25 5.20 5.85 -0.86 0.15 115.31 125.39 1mt3 h LEU 284 Ca 0.02 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1mt3 h LEU 284 Cb 0.36 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1mt3 h LEU 284 CO 0.00 0.12 0.00 -0.07 -0.34 0.00 0.00 178.44 178.16 1mt3 h LEU 285 N 0.29 0.43 -1.08 2.25 4.07 -1.32 -1.66 115.31 118.28 1mt3 h LEU 285 Ca 0.16 -0.31 -0.06 0.00 0.08 0.00 0.00 57.88 57.75 1mt3 h LEU 285 Cb 0.13 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1mt3 h LEU 285 CO -0.16 0.63 -0.01 0.77 -1.08 0.00 0.00 178.44 178.59 1mt3 h SER 286 N 0.22 0.61 -0.23 -0.43 4.64 -0.86 -0.26 113.55 117.23 1mt3 h SER 286 Ca 0.07 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1mt3 h SER 286 Cb 0.41 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1mt3 h SER 286 CO 0.01 0.68 0.06 0.44 -0.87 0.00 0.00 176.83 177.16 1mt3 h ASP 287 N 0.60 0.34 -0.41 4.97 3.32 -0.57 -1.81 116.42 122.87 1mt3 h ASP 287 Ca 0.12 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.98 1mt3 h ASP 287 Cb 0.39 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1mt3 h ASP 287 CO 0.02 0.47 0.21 0.15 -1.72 0.00 0.00 179.24 178.37 1mt3 h PHE 288 N 0.20 0.40 0.24 4.55 3.57 -0.89 -2.14 116.94 122.87 1mt3 h PHE 288 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1mt3 h PHE 288 Cb 0.26 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1mt3 h PHE 288 CO 0.01 0.21 -0.12 0.82 -2.23 0.00 0.00 178.31 177.01 1mt3 h ILE 289 N 0.43 0.81 -0.69 1.41 2.04 -0.97 -3.19 117.51 117.35 1mt3 h ILE 289 Ca 0.17 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1mt3 h ILE 289 Cb 0.06 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1mt3 h ILE 289 CO -0.11 0.06 0.45 -0.07 0.00 0.00 0.00 178.15 178.48 1mt3 h LEU 290 N -0.46 0.80 0.00 1.44 4.07 -1.28 -1.61 115.31 118.28 1mt3 h LEU 290 Ca -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1mt3 h LEU 290 Cb 0.34 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1mt3 h LEU 290 CO 0.05 0.59 0.00 2.29 -1.08 0.00 0.00 178.44 180.30 1mt3 n LYS 291 N -4.59 0.52 -1.71 1.13 2.85 -0.81 -2.72 118.16 112.83 1mt3 n LYS 291 Ca 0.06 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.25 1mt3 n LYS 291 Cb 0.02 -1.47 0.08 0.00 -0.65 0.00 0.00 35.03 33.01 1mt3 n LYS 291 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1mt3 n HIS 292 N -0.97 1.26 1.68 5.58 8.25 -0.61 -5.09 115.22 125.32 1mt3 n HIS 292 Ca 0.12 -1.74 0.13 0.00 -0.26 0.00 0.00 57.72 55.97 1mt3 n HIS 292 Cb 0.05 -0.26 0.80 0.00 1.12 0.00 0.00 29.99 31.70 1mt3 n HIS 292 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26