#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5f s ILE 2 N 0.00 5.21 -0.31 0.53 1.01 -1.26 -4.75 121.20 121.63 1a5f s ILE 2 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 1a5f s ILE 2 Cb 0.00 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 1a5f s ILE 2 CO 0.00 -0.07 0.72 -0.69 0.00 0.00 0.00 174.94 174.91 1a5f s VAL 3 N 1.70 4.85 -0.40 2.92 1.01 -1.26 -4.63 120.40 124.59 1a5f s VAL 3 Ca 0.06 1.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.85 1a5f s VAL 3 Cb -0.18 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1a5f s VAL 3 CO 0.10 -0.21 0.81 -0.04 0.00 0.00 0.00 175.10 175.77 1a5f s MET 4 N 2.82 3.64 -0.21 2.72 -1.94 -1.26 -2.35 119.30 122.72 1a5f s MET 4 Ca 0.29 0.21 -0.02 0.00 -1.71 0.00 0.00 55.69 54.46 1a5f s MET 4 Cb -0.14 -3.86 -0.00 0.00 2.01 0.00 0.00 34.83 32.84 1a5f s MET 4 CO 0.12 -0.97 -0.09 0.99 -0.01 0.00 0.00 175.02 175.06 1a5f s THR 5 N 3.27 2.98 -0.10 2.05 2.01 0.71 -4.35 115.64 122.20 1a5f s THR 5 Ca 0.32 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1a5f s THR 5 Cb -0.12 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.11 1a5f s THR 5 CO 0.20 0.46 0.15 0.00 -0.69 0.00 0.00 174.62 174.74 1a5f s GLN 6 N 1.38 0.04 0.19 4.92 -2.07 -1.26 0.58 119.66 123.45 1a5f s GLN 6 Ca 0.05 0.46 0.11 0.00 -1.82 0.00 0.00 55.36 54.16 1a5f s GLN 6 Cb -0.14 -0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 31.24 1a5f s GLN 6 CO -0.06 -0.37 -0.22 -1.54 -1.32 0.00 0.00 175.29 171.78 1a5f s SER 7 N 2.27 3.24 0.76 12.60 1.04 -1.25 -4.47 113.70 127.90 1a5f s SER 7 Ca 0.04 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.53 1a5f s SER 7 Cb -0.13 -0.23 0.12 0.00 0.10 0.00 0.00 66.02 65.88 1a5f s SER 7 CO -0.06 0.07 1.05 -2.84 0.98 0.00 0.00 173.24 172.44 1a5f s PRO 8 N -2.79 1.63 0.45 4.02 0.02 -1.26 -4.22 135.00 132.85 1a5f s PRO 8 Ca 0.20 -0.75 0.17 0.00 0.02 0.00 0.00 61.00 60.64 1a5f s PRO 8 Cb -0.07 -2.20 1.04 0.00 0.02 0.00 0.00 34.50 33.29 1a5f s PRO 8 CO 0.09 -1.55 1.98 0.66 -0.33 0.00 0.00 177.00 177.85 1a5f h SER 9 N -0.74 0.00 -4.99 2.53 4.64 -1.82 -3.38 113.55 109.80 1a5f h SER 9 Ca -0.40 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 1a5f h SER 9 Cb 1.27 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.16 1a5f h SER 9 CO 0.45 0.21 -0.45 -0.55 -0.87 0.00 0.00 176.83 175.62 1a5f s SER 10 N -6.80 -0.01 -0.04 4.97 0.15 -1.26 -0.77 113.70 109.94 1a5f s SER 10 Ca -0.03 -0.17 -0.00 0.00 0.70 0.00 0.00 55.95 56.44 1a5f s SER 10 Cb 0.15 0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 1a5f s SER 10 CO 0.68 -0.40 0.01 -0.22 1.20 0.00 0.00 173.24 174.51 1a5f s LEU 11 N -1.42 0.92 -0.34 3.45 2.96 -0.16 -4.85 118.68 119.24 1a5f s LEU 11 Ca -0.14 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.47 1a5f s LEU 11 Cb -0.07 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.41 1a5f s LEU 11 CO 0.02 -0.14 1.08 -0.89 -1.32 0.00 0.00 176.35 175.10 1a5f s THR 12 N 1.34 4.47 -0.09 3.68 2.01 -1.26 -2.55 115.64 123.25 1a5f s THR 12 Ca -0.05 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.62 1a5f s THR 12 Cb -0.13 -4.44 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 1a5f s THR 12 CO -0.02 -0.55 -0.10 0.54 -0.69 0.00 0.00 174.62 173.80 1a5f s VAL 13 N 3.74 3.44 0.01 3.82 0.11 0.13 -4.93 120.40 126.73 1a5f s VAL 13 Ca 0.45 -0.56 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 1a5f s VAL 13 Cb -0.12 -2.41 -0.05 0.00 -1.53 0.00 0.00 36.38 32.27 1a5f s VAL 13 CO 0.17 0.57 0.31 -0.89 -3.33 0.00 0.00 175.10 171.93 1a5f s THR 14 N -0.44 5.23 0.30 5.04 2.01 -1.26 -0.84 115.64 125.69 1a5f s THR 14 Ca 0.06 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1a5f s THR 14 Cb -0.12 -3.59 -0.12 0.00 0.01 0.00 0.00 72.50 68.68 1a5f s THR 14 CO 0.02 0.41 1.48 0.41 -0.69 0.00 0.00 174.62 176.25 1a5f n THR 15 N 1.28 1.29 -0.28 -0.82 -1.04 -1.26 -2.55 114.28 110.90 1a5f n THR 15 Ca -0.12 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1a5f n THR 15 Cb 0.53 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 1a5f n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a5f n GLY 16 N 1.71 2.31 3.85 3.41 0.00 -0.12 -4.94 105.19 111.41 1a5f n GLY 16 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1a5f n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1a5f n GLU 17 N -2.00 -1.24 -3.61 1.61 0.28 -1.06 -3.92 120.64 110.71 1a5f n GLU 17 Ca 0.00 -2.08 -0.40 0.00 -0.16 0.00 0.00 57.16 54.52 1a5f n GLU 17 Cb 0.00 -1.33 -0.11 0.00 1.43 0.00 0.00 31.44 31.43 1a5f n GLU 17 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1a5f s LYS 18 N -5.86 2.73 0.22 3.44 2.20 -1.26 0.45 119.74 121.66 1a5f s LYS 18 Ca 0.75 -1.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.05 1a5f s LYS 18 Cb -0.02 -3.74 -0.06 0.00 -1.51 0.00 0.00 37.83 32.50 1a5f s LYS 18 CO 0.52 -0.80 0.51 0.08 -0.36 0.00 0.00 175.35 175.30 1a5f s VAL 19 N 1.50 5.01 -0.20 4.02 1.01 0.24 -4.94 120.40 127.04 1a5f s VAL 19 Ca 0.02 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 1a5f s VAL 19 Cb -0.21 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1a5f s VAL 19 CO 0.05 -0.08 0.07 -0.89 0.00 0.00 0.00 175.10 174.25 1a5f s THR 20 N -1.82 0.19 0.34 3.92 2.01 -1.26 -1.30 115.64 117.73 1a5f s THR 20 Ca 0.45 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1a5f s THR 20 Cb -0.11 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1a5f s THR 20 CO 0.23 -0.31 0.61 -0.04 -0.69 0.00 0.00 174.62 174.42 1a5f s MET 21 N 2.00 3.61 0.12 4.92 -1.94 0.08 -4.91 119.30 123.18 1a5f s MET 21 Ca 0.02 0.01 0.07 0.00 -1.71 0.00 0.00 55.69 54.08 1a5f s MET 21 Cb -0.16 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 1a5f s MET 21 CO -0.12 0.12 -0.17 0.99 -0.01 0.00 0.00 175.02 175.83 1a5f s THR 22 N -2.25 1.52 0.03 2.05 2.01 -1.26 -0.57 115.64 117.17 1a5f s THR 22 Ca 0.44 -1.65 -0.00 0.00 0.31 0.00 0.00 61.69 60.80 1a5f s THR 22 Cb -0.10 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1a5f s THR 22 CO 0.33 -0.26 -0.03 0.00 -0.69 0.00 0.00 174.62 173.97 1a5f s LYS 24 N -2.07 0.88 0.05 0.00 2.20 0.20 -1.73 119.74 119.27 1a5f s LYS 24 Ca -0.10 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1a5f s LYS 24 Cb -0.06 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1a5f s LYS 24 CO -0.03 -0.30 -0.03 -1.54 -0.36 0.00 0.00 175.35 173.09 1a5f s SER 25 N -2.47 0.48 -0.00 1.43 1.04 0.43 -0.21 113.70 114.40 1a5f s SER 25 Ca -0.00 -0.93 -0.18 0.00 0.48 0.00 0.00 55.95 55.32 1a5f s SER 25 Cb 0.01 0.18 -0.10 0.00 0.10 0.00 0.00 66.02 66.22 1a5f s SER 25 CO -0.08 -0.55 0.88 0.77 0.98 0.00 0.00 173.24 175.24 1a5f h SER 26 N 3.37 -0.54 -3.33 7.02 4.64 -1.81 -3.45 113.55 119.44 1a5f h SER 26 Ca -0.34 0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.53 1a5f h SER 26 Cb 1.15 0.14 0.04 0.00 -0.31 0.00 0.00 62.40 63.43 1a5f h SER 26 CO 0.62 -0.24 0.08 -1.10 -0.87 0.00 0.00 176.83 175.32 1a5f s GLN 27 N -3.78 3.03 0.35 4.77 1.11 -1.26 -5.01 119.66 118.88 1a5f s GLN 27 Ca -0.09 -0.15 -0.21 0.00 0.01 0.00 0.00 55.36 54.91 1a5f s GLN 27 Cb 0.01 -2.38 -0.10 0.00 -1.01 0.00 0.00 33.01 29.53 1a5f s GLN 27 CO 0.28 -0.51 0.88 0.45 0.01 0.00 0.00 175.29 176.40 1a5f s SER 28 N -4.26 7.04 0.00 5.90 0.15 -1.26 -4.80 113.70 116.47 1a5f s SER 28 Ca 0.51 1.62 0.18 0.00 0.70 0.00 0.00 55.95 58.96 1a5f s SER 28 Cb -0.10 -2.51 0.32 0.00 -1.71 0.00 0.00 66.02 62.02 1a5f s SER 28 CO 0.43 -0.20 1.24 0.18 1.20 0.00 0.00 173.24 176.09 1a5f n LEU 29 N -0.07 3.00 -4.77 3.45 4.77 -1.15 -4.98 117.00 117.24 1a5f n LEU 29 Ca 0.04 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 54.10 1a5f n LEU 29 Cb 0.52 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1a5f n LEU 29 CO 0.41 0.66 1.05 -0.22 -1.33 0.00 0.00 177.39 177.96 1a5f s LEU 30 N -1.24 4.36 -0.70 2.23 0.20 -1.26 -1.11 118.68 121.15 1a5f s LEU 30 Ca 0.29 2.86 0.01 0.00 0.69 0.00 0.00 54.13 57.98 1a5f s LEU 30 Cb 0.17 -3.68 0.17 0.00 -0.43 0.00 0.00 46.19 42.43 1a5f s LEU 30 CO 0.24 -0.72 0.52 0.21 -0.29 0.00 0.00 176.35 176.30 1a5f s ASN 31 N -0.35 5.14 0.60 3.68 3.04 -1.15 -4.90 114.94 121.01 1a5f s ASN 31 Ca 0.51 -3.43 0.00 0.00 0.04 0.00 0.00 52.86 49.99 1a5f s ASN 31 Cb -0.43 -1.76 0.00 0.00 -1.54 0.00 0.00 41.25 37.52 1a5f s ASN 31 CO 0.57 -0.21 0.93 -1.20 -3.04 0.00 0.00 177.10 174.16 1a5f n SER 32 N 2.64 0.00 0.00 -4.21 7.64 -1.26 0.15 113.62 118.58 1a5f n SER 32 Ca 0.15 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1a5f n SER 32 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1a5f n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5f n GLY 33 N -1.42 0.75 0.30 0.23 0.00 -1.26 -4.30 105.19 99.48 1a5f n GLY 33 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1a5f n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5f h ALA 34 N -2.00 1.00 -0.04 4.61 0.00 -1.61 -3.45 119.26 117.77 1a5f h ALA 34 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1a5f h ALA 34 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a5f h ALA 34 CO 0.00 0.00 -0.01 1.04 0.00 0.00 0.00 179.25 180.28 1a5f n GLN 35 N -2.94 -1.48 -4.43 0.00 1.13 0.39 -4.98 117.38 105.08 1a5f n GLN 35 Ca -0.02 0.41 -0.32 0.00 -1.94 0.00 0.00 57.00 55.13 1a5f n GLN 35 Cb 0.11 -4.54 -0.10 0.00 0.11 0.00 0.00 30.24 25.83 1a5f n GLN 35 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1a5f s LYS 36 N -1.59 2.60 -0.25 -1.09 -2.85 -1.26 -4.77 119.74 110.53 1a5f s LYS 36 Ca 0.00 -0.69 -0.29 0.00 -1.00 0.00 0.00 55.97 53.99 1a5f s LYS 36 Cb 0.00 -2.54 -0.01 0.00 -2.06 0.00 0.00 37.83 33.23 1a5f s LYS 36 CO 0.00 0.61 1.31 -0.80 0.10 0.00 0.00 175.35 176.57 1a5f s ASN 37 N -1.42 6.73 -1.26 0.03 0.01 -1.26 -2.93 114.94 114.84 1a5f s ASN 37 Ca 0.17 1.38 -0.16 0.00 -0.71 0.00 0.00 52.86 53.54 1a5f s ASN 37 Cb -0.11 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1a5f s ASN 37 CO 0.08 -1.00 2.15 -1.22 -1.51 0.00 0.00 177.10 175.60 1a5f n TYR 38 N 7.37 3.04 -3.87 2.20 4.02 -0.27 -2.80 117.16 126.86 1a5f n TYR 38 Ca 0.15 -2.64 -0.26 0.00 -0.01 0.00 0.00 57.90 55.14 1a5f n TYR 38 Cb 0.46 -2.31 -0.17 0.00 -0.02 0.00 0.00 39.34 37.30 1a5f n TYR 38 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1a5f s LEU 39 N 1.88 1.05 0.52 7.72 2.96 -1.26 -0.83 118.68 130.72 1a5f s LEU 39 Ca 0.50 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1a5f s LEU 39 Cb 0.14 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 46.11 1a5f s LEU 39 CO -0.03 -0.15 0.75 -0.89 -1.32 0.00 0.00 176.35 174.72 1a5f s THR 40 N 1.78 3.30 -0.05 3.68 2.01 -1.16 -1.94 115.64 123.25 1a5f s THR 40 Ca 0.05 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 1a5f s THR 40 Cb -0.13 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.17 1a5f s THR 40 CO -0.07 -0.18 0.04 0.26 -0.69 0.00 0.00 174.62 173.98 1a5f s TRP 41 N -2.71 0.24 0.32 4.92 0.52 0.13 -2.57 118.94 119.79 1a5f s TRP 41 Ca 0.53 0.13 0.09 0.00 0.02 0.00 0.00 56.10 56.88 1a5f s TRP 41 Cb -0.10 -0.56 -0.05 0.00 -1.15 0.00 0.00 33.47 31.60 1a5f s TRP 41 CO 0.39 -0.23 -0.03 0.71 0.02 0.00 0.00 176.95 177.82 1a5f s TYR 42 N 2.07 2.52 -0.01 -1.98 2.02 -0.70 -0.91 117.35 120.35 1a5f s TYR 42 Ca 0.04 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1a5f s TYR 42 Cb -0.12 -1.38 0.01 0.00 -0.40 0.00 0.00 41.96 40.07 1a5f s TYR 42 CO -0.04 0.54 -0.01 -1.14 -1.57 0.00 0.00 175.55 173.33 1a5f s GLN 43 N -3.68 0.24 0.02 -0.62 0.74 -0.88 -2.11 119.66 113.37 1a5f s GLN 43 Ca 0.34 -0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.76 1a5f s GLN 43 Cb -0.01 -0.32 -0.02 0.00 1.10 0.00 0.00 33.01 33.76 1a5f s GLN 43 CO 0.19 -0.03 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.64 1a5f s GLN 44 N 0.40 0.86 0.02 1.67 0.74 0.52 -1.28 119.66 122.60 1a5f s GLN 44 Ca -0.04 -0.58 0.06 0.00 0.05 0.00 0.00 55.36 54.85 1a5f s GLN 44 Cb -0.06 -0.83 -0.02 0.00 1.10 0.00 0.00 33.01 33.19 1a5f s GLN 44 CO -0.01 0.21 -0.18 0.15 -0.55 0.00 0.00 175.29 174.91 1a5f s LYS 45 N -0.76 1.33 -0.90 1.67 1.02 -1.26 -1.20 119.74 119.64 1a5f s LYS 45 Ca 0.02 -0.78 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 1a5f s LYS 45 Cb -0.06 -1.36 -0.23 0.00 -0.52 0.00 0.00 37.83 35.65 1a5f s LYS 45 CO 0.00 0.36 2.40 -2.30 -0.92 0.00 0.00 175.35 174.89 1a5f n PRO 46 N 2.19 0.23 0.00 -1.68 -0.02 -1.26 -0.22 135.00 134.23 1a5f n PRO 46 Ca -0.16 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1a5f n PRO 46 Cb 0.54 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1a5f n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a5f n GLY 47 N 6.09 1.28 3.40 -1.23 0.00 -1.26 -5.10 105.19 108.37 1a5f n GLY 47 Ca 0.60 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 1a5f n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5f s GLN 48 N -0.25 1.57 0.40 1.61 -1.52 0.69 -5.16 119.66 117.00 1a5f s GLN 48 Ca 0.00 -1.87 0.03 0.00 -1.95 0.00 0.00 55.36 51.56 1a5f s GLN 48 Cb 0.00 -0.56 -0.01 0.00 -0.22 0.00 0.00 33.01 32.22 1a5f s GLN 48 CO 0.00 -0.27 0.58 -1.12 -0.25 0.00 0.00 175.29 174.23 1a5f s SER 49 N -3.42 5.92 0.75 5.90 0.01 -1.26 -4.59 113.70 117.00 1a5f s SER 49 Ca 0.36 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.60 1a5f s SER 49 Cb 0.08 -1.45 0.05 0.00 0.21 0.00 0.00 66.02 64.91 1a5f s SER 49 CO 0.15 -0.56 1.11 -2.84 0.41 0.00 0.00 173.24 171.51 1a5f s PRO 50 N -4.38 2.30 -0.10 12.44 0.02 -1.26 -4.54 135.00 139.48 1a5f s PRO 50 Ca 0.46 1.32 0.04 0.00 0.02 0.00 0.00 61.00 62.84 1a5f s PRO 50 Cb -0.10 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.53 1a5f s PRO 50 CO 0.35 -1.63 -0.24 0.21 -0.33 0.00 0.00 177.00 175.36 1a5f s LYS 51 N -4.55 2.97 -0.42 5.54 2.20 -0.40 -4.94 119.74 120.15 1a5f s LYS 51 Ca 0.65 -0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 55.12 1a5f s LYS 51 Cb -0.20 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1a5f s LYS 51 CO 0.51 0.19 1.00 -1.17 -0.36 0.00 0.00 175.35 175.52 1a5f s LEU 52 N 0.32 3.89 -0.19 5.43 2.96 -1.26 -2.07 118.68 127.75 1a5f s LEU 52 Ca -0.18 0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 1a5f s LEU 52 Cb -0.18 -3.35 -0.21 0.00 0.50 0.00 0.00 46.19 42.95 1a5f s LEU 52 CO 0.08 -1.02 0.08 0.18 -1.32 0.00 0.00 176.35 174.35 1a5f n LEU 53 N 7.19 2.54 -3.87 -0.68 4.32 -0.09 -4.58 117.00 121.83 1a5f n LEU 53 Ca 0.09 0.16 -0.11 0.00 -0.02 0.00 0.00 56.01 56.12 1a5f n LEU 53 Cb 0.48 -1.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.19 1a5f n LEU 53 CO 0.64 0.76 -0.16 -0.63 -1.22 0.00 0.00 177.39 176.78 1a5f s ILE 54 N -2.51 0.09 0.17 -0.08 1.01 -1.18 -1.94 121.20 116.75 1a5f s ILE 54 Ca -0.29 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1a5f s ILE 54 Cb 0.08 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 1a5f s ILE 54 CO 0.66 -0.39 0.17 -0.72 0.00 0.00 0.00 174.94 174.66 1a5f s TYR 55 N -1.52 0.78 -1.69 3.97 -0.85 -0.55 -0.69 117.35 116.80 1a5f s TYR 55 Ca -0.14 -1.11 0.00 0.00 -0.52 0.00 0.00 57.07 55.30 1a5f s TYR 55 Cb -0.07 -0.34 0.00 0.00 0.38 0.00 0.00 41.96 41.94 1a5f s TYR 55 CO 0.01 -0.64 0.00 0.91 -1.52 0.00 0.00 175.55 174.31 1a5f n TRP 56 N -0.20 -0.72 0.00 -3.49 8.01 -1.20 -0.34 117.44 119.51 1a5f n TRP 56 Ca -0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 1a5f n TRP 56 Cb 0.64 -3.38 0.00 0.00 -2.01 0.00 0.00 31.31 26.56 1a5f n TRP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a5f n ALA 57 N -0.76 0.00 -2.04 6.99 0.00 -0.82 -4.29 120.51 119.59 1a5f n ALA 57 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1a5f n ALA 57 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 1a5f n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a5f n SER 58 N 1.75 0.04 -4.51 0.00 3.41 -1.16 -2.69 113.62 110.46 1a5f n SER 58 Ca 0.00 -1.70 -0.41 0.00 -0.26 0.00 0.00 58.87 56.50 1a5f n SER 58 Cb 0.00 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 1a5f n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a5f s THR 59 N 0.00 5.27 0.50 6.66 2.01 0.54 -4.45 115.64 126.18 1a5f s THR 59 Ca 0.03 -0.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.48 1a5f s THR 59 Cb 0.03 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1a5f s THR 59 CO -0.02 -0.11 1.20 -0.60 -0.69 0.00 0.00 174.62 174.40 1a5f s ARG 60 N 1.73 3.49 0.26 4.92 3.52 -1.26 -1.48 118.95 130.14 1a5f s ARG 60 Ca 0.06 1.83 -0.02 0.00 -0.13 0.00 0.00 55.73 57.47 1a5f s ARG 60 Cb -0.18 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 1a5f s ARG 60 CO 0.10 -0.79 0.48 -1.21 -0.81 0.00 0.00 175.30 173.08 1a5f s GLU 61 N -2.91 3.55 -0.82 5.12 0.41 -0.82 -4.90 118.70 118.33 1a5f s GLU 61 Ca 0.68 -0.23 -0.19 0.00 -0.41 0.00 0.00 54.97 54.82 1a5f s GLU 61 Cb -0.30 -2.73 -0.19 0.00 -1.78 0.00 0.00 34.13 29.12 1a5f s GLU 61 CO 0.35 0.28 2.16 0.43 -0.49 0.00 0.00 175.26 177.99 1a5f n SER 62 N -1.01 0.53 0.00 -0.19 7.64 -1.26 -0.68 113.62 118.65 1a5f n SER 62 Ca -0.04 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1a5f n SER 62 Cb 0.54 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1a5f n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5f n GLY 63 N 6.14 0.77 3.77 0.23 0.00 -1.26 -5.11 105.19 109.72 1a5f n GLY 63 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 1a5f n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5f s VAL 64 N -1.28 3.93 0.35 1.61 1.01 0.14 -5.01 120.40 121.16 1a5f s VAL 64 Ca 0.00 1.69 -0.27 0.00 0.00 0.00 0.00 61.98 63.40 1a5f s VAL 64 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1a5f s VAL 64 CO 0.00 0.21 1.13 -2.84 0.00 0.00 0.00 175.10 173.60 1a5f s PRO 65 N -1.90 4.31 0.52 2.72 0.02 -1.26 -4.90 135.00 134.51 1a5f s PRO 65 Ca 0.49 1.79 0.23 0.00 0.02 0.00 0.00 61.00 63.53 1a5f s PRO 65 Cb -0.23 -2.86 1.26 0.00 0.02 0.00 0.00 34.50 32.68 1a5f s PRO 65 CO 0.29 -0.08 1.67 0.38 -0.33 0.00 0.00 177.00 178.93 1a5f h ASP 66 N 3.09 0.00 0.42 2.53 3.04 -1.99 0.14 116.42 123.65 1a5f h ASP 66 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 1a5f h ASP 66 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 1a5f h ASP 66 CO 0.64 0.00 0.00 -2.11 -2.04 0.00 0.00 179.24 175.73 1a5f n ARG 67 N -2.54 0.09 -3.53 4.15 1.85 -1.26 -4.59 116.66 110.83 1a5f n ARG 67 Ca -0.02 0.20 -0.38 0.00 -1.00 0.00 0.00 57.85 56.66 1a5f n ARG 67 Cb 0.34 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.16 1a5f n ARG 67 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a5f s PHE 68 N -2.82 3.29 -0.05 2.89 0.08 0.49 -2.32 117.98 119.55 1a5f s PHE 68 Ca 0.10 0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.49 1a5f s PHE 68 Cb 0.10 -2.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1a5f s PHE 68 CO 0.25 -0.06 -0.10 0.99 -0.10 0.00 0.00 175.22 176.20 1a5f s THR 69 N 1.47 0.94 0.34 0.64 2.01 -0.61 -4.96 115.64 115.48 1a5f s THR 69 Ca 0.11 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1a5f s THR 69 Cb -0.15 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1a5f s THR 69 CO 0.08 0.30 0.61 -0.83 -0.69 0.00 0.00 174.62 174.09 1a5f s GLY 70 N 0.55 1.71 0.17 4.40 0.00 -1.26 -1.99 107.32 110.89 1a5f s GLY 70 Ca -0.10 -0.58 -0.23 0.00 0.00 0.00 0.00 44.72 43.81 1a5f s GLY 70 CO 0.02 -0.46 1.05 -0.56 0.00 0.00 0.00 173.10 173.15 1a5f s SER 71 N -3.47 -0.02 0.00 1.64 0.01 -1.10 -4.67 113.70 106.09 1a5f s SER 71 Ca 0.44 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1a5f s SER 71 Cb -0.10 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1a5f s SER 71 CO 0.33 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1a5f n GLY 72 N -0.68 3.38 3.64 3.44 0.00 -1.26 -2.73 105.19 110.98 1a5f n GLY 72 Ca -0.03 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 1a5f n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5f s SER 73 N 0.00 -1.04 0.12 1.61 0.15 0.34 -4.90 113.70 109.98 1a5f s SER 73 Ca 0.00 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1a5f s SER 73 Cb 0.00 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 1a5f s SER 73 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1a5f n GLY 74 N 5.01 1.36 0.00 9.45 0.00 -1.26 -3.66 105.19 116.09 1a5f n GLY 74 Ca -0.15 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.37 1a5f n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5f n THR 75 N 0.00 0.00 -3.74 2.61 -2.24 -1.26 -2.95 114.28 106.70 1a5f n THR 75 Ca 0.00 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 1a5f n THR 75 Cb 0.00 0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 1a5f n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a5f s ASP 76 N -2.85 5.21 0.13 3.42 1.01 -1.24 -0.43 116.67 121.92 1a5f s ASP 76 Ca -0.03 -0.73 0.04 0.00 0.71 0.00 0.00 52.55 52.54 1a5f s ASP 76 Cb 0.05 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 1a5f s ASP 76 CO 0.31 -0.21 -0.09 -0.36 0.21 0.00 0.00 175.17 175.03 1a5f s PHE 77 N 1.51 1.15 0.01 4.23 0.08 -0.71 -0.50 117.98 123.75 1a5f s PHE 77 Ca 0.02 -0.77 -0.06 0.00 0.12 0.00 0.00 56.93 56.25 1a5f s PHE 77 Cb -0.17 -0.61 -0.00 0.00 -0.57 0.00 0.00 43.02 41.67 1a5f s PHE 77 CO 0.03 0.02 0.11 0.95 -0.10 0.00 0.00 175.22 176.23 1a5f s THR 78 N -3.19 0.09 -0.36 0.64 -4.23 -1.10 -0.54 115.64 106.95 1a5f s THR 78 Ca 0.13 -0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1a5f s THR 78 Cb 0.02 -0.47 0.09 0.00 1.34 0.00 0.00 72.50 73.48 1a5f s THR 78 CO -0.01 -0.43 0.12 -0.22 -0.54 0.00 0.00 174.62 173.55 1a5f s LEU 79 N -1.50 4.72 -0.33 4.79 2.96 0.26 -3.04 118.68 126.54 1a5f s LEU 79 Ca -0.14 -1.75 -0.13 0.00 -0.22 0.00 0.00 54.13 51.89 1a5f s LEU 79 Cb -0.07 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1a5f s LEU 79 CO 0.00 -0.43 0.28 -0.44 -1.32 0.00 0.00 176.35 174.45 1a5f s SER 80 N 1.54 6.10 -0.43 3.68 0.01 -0.84 -0.74 113.70 123.02 1a5f s SER 80 Ca 0.03 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.86 1a5f s SER 80 Cb -0.21 -2.16 0.06 0.00 0.21 0.00 0.00 66.02 63.92 1a5f s SER 80 CO -0.03 -0.25 0.30 -0.63 0.41 0.00 0.00 173.24 173.04 1a5f s ILE 81 N 1.82 4.76 -0.17 1.44 1.01 -0.42 -1.58 121.20 128.07 1a5f s ILE 81 Ca 0.08 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 1a5f s ILE 81 Cb -0.17 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1a5f s ILE 81 CO 0.11 -0.46 0.08 -0.55 0.00 0.00 0.00 174.94 174.12 1a5f s SER 82 N 2.13 5.78 0.00 3.58 0.15 -0.98 0.82 113.70 125.17 1a5f s SER 82 Ca 0.03 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1a5f s SER 82 Cb -0.22 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1a5f s SER 82 CO 0.05 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1a5f n GLY 83 N 3.22 0.78 3.72 9.45 0.00 0.44 -4.76 105.19 118.03 1a5f n GLY 83 Ca -0.17 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1a5f n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5f s VAL 84 N -2.89 2.87 0.44 1.61 0.11 0.17 -4.80 120.40 117.91 1a5f s VAL 84 Ca 0.00 0.62 0.06 0.00 -2.93 0.00 0.00 61.98 59.73 1a5f s VAL 84 Cb 0.00 -3.40 0.06 0.00 -1.53 0.00 0.00 36.38 31.51 1a5f s VAL 84 CO 0.00 0.05 0.52 0.00 -3.33 0.00 0.00 175.10 172.33 1a5f n GLN 85 N 3.96 0.75 0.16 1.54 1.13 -1.26 -0.95 117.38 122.72 1a5f n GLN 85 Ca 0.13 -2.52 0.10 0.00 -1.94 0.00 0.00 57.00 52.77 1a5f n GLN 85 Cb 0.40 -0.02 0.08 0.00 0.11 0.00 0.00 30.24 30.81 1a5f n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a5f h ALA 86 N 0.38 0.76 0.00 -1.58 0.00 -1.97 -3.15 119.26 113.70 1a5f h ALA 86 Ca -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a5f h ALA 86 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1a5f h ALA 86 CO 0.35 0.12 -0.05 0.93 0.00 0.00 0.00 179.25 180.59 1a5f h GLU 87 N 0.00 0.00 -0.08 0.00 5.08 -2.02 -2.84 114.58 114.72 1a5f h GLU 87 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1a5f h GLU 87 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1a5f h GLU 87 CO 0.01 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.77 1a5f n ASP 88 N -2.60 0.84 -4.52 1.42 9.92 -1.19 -4.58 116.55 115.84 1a5f n ASP 88 Ca 0.05 -1.56 -0.43 0.00 -0.53 0.00 0.00 54.79 52.31 1a5f n ASP 88 Cb 0.47 -0.05 -0.04 0.00 -0.64 0.00 0.00 41.12 40.86 1a5f n ASP 88 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1a5f s LEU 89 N -1.58 4.17 0.13 0.64 1.43 -1.07 -4.82 118.68 117.57 1a5f s LEU 89 Ca 0.30 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1a5f s LEU 89 Cb 0.15 -2.83 0.08 0.00 0.03 0.00 0.00 46.19 43.62 1a5f s LEU 89 CO 0.24 -1.18 1.11 0.00 0.23 0.00 0.00 176.35 176.76 1a5f s ALA 90 N 3.81 -1.86 0.21 4.21 0.00 -1.26 -4.98 121.76 121.89 1a5f s ALA 90 Ca 0.30 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 1a5f s ALA 90 Cb -0.13 0.81 -0.07 0.00 0.00 0.00 0.00 23.12 23.73 1a5f s ALA 90 CO 0.19 -1.09 0.55 0.08 0.00 0.00 0.00 175.76 175.49 1a5f s VAL 91 N -2.08 4.91 -0.17 0.00 1.01 -0.34 -2.88 120.40 120.84 1a5f s VAL 91 Ca 0.25 0.58 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 1a5f s VAL 91 Cb -0.02 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1a5f s VAL 91 CO 0.04 0.02 -0.07 -0.31 0.00 0.00 0.00 175.10 174.78 1a5f s TYR 92 N -1.72 1.90 0.06 5.22 1.51 0.94 -0.35 117.35 124.92 1a5f s TYR 92 Ca 0.45 -1.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.32 1a5f s TYR 92 Cb -0.12 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1a5f s TYR 92 CO 0.20 -0.65 -0.02 0.71 -1.11 0.00 0.00 175.55 174.68 1a5f s TYR 93 N 1.57 2.97 -0.08 2.71 2.02 -0.90 -1.59 117.35 124.05 1a5f s TYR 93 Ca 0.00 -0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1a5f s TYR 93 Cb -0.15 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1a5f s TYR 93 CO -0.08 0.46 -0.13 0.00 -1.57 0.00 0.00 175.55 174.23 1a5f s GLN 95 N -0.41 2.04 -0.13 0.00 -2.07 -1.06 -0.08 119.66 117.95 1a5f s GLN 95 Ca 0.05 -1.89 -0.04 0.00 -1.82 0.00 0.00 55.36 51.66 1a5f s GLN 95 Cb -0.12 -1.84 -0.03 0.00 -1.09 0.00 0.00 33.01 29.93 1a5f s GLN 95 CO 0.02 0.03 0.02 1.21 -1.32 0.00 0.00 175.29 175.25 1a5f s ASN 96 N -3.74 5.33 -0.10 12.60 3.84 0.43 -2.99 114.94 130.32 1a5f s ASN 96 Ca 0.36 0.08 0.14 0.00 0.21 0.00 0.00 52.86 53.65 1a5f s ASN 96 Cb 0.04 -1.73 0.28 0.00 -0.55 0.00 0.00 41.25 39.29 1a5f s ASN 96 CO 0.19 0.27 1.14 -3.20 -2.79 0.00 0.00 177.10 172.71 1a5f n ASN 97 N 2.88 1.41 -0.09 -4.21 5.15 -0.01 -4.32 115.26 116.07 1a5f n ASN 97 Ca -0.18 -2.86 -0.17 0.00 -0.60 0.00 0.00 54.58 50.77 1a5f n ASN 97 Cb 0.53 -0.38 -0.11 0.00 -0.53 0.00 0.00 39.78 39.29 1a5f n ASN 97 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1a5f h TYR 98 N 0.44 0.00 -3.94 1.20 3.20 -1.86 -3.47 116.97 112.55 1a5f h TYR 98 Ca -0.04 0.00 -0.43 0.00 3.14 0.00 0.00 58.73 61.40 1a5f h TYR 98 Cb 1.25 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.38 1a5f h TYR 98 CO 0.25 1.18 -0.55 1.21 -1.64 0.00 0.00 178.16 178.62 1a5f s ASN 99 N -6.51 1.65 0.00 -2.11 2.47 -1.26 -5.08 114.94 104.10 1a5f s ASN 99 Ca -0.23 -1.59 0.03 0.00 0.42 0.00 0.00 52.86 51.49 1a5f s ASN 99 Cb 0.02 0.41 -0.03 0.00 -1.45 0.00 0.00 41.25 40.20 1a5f s ASN 99 CO 0.60 -0.91 -0.05 -0.31 -3.72 0.00 0.00 177.10 172.71 1a5f s TYR 100 N -3.56 2.95 0.68 0.43 2.02 -1.26 -3.89 117.35 114.72 1a5f s TYR 100 Ca 0.35 0.00 -0.11 0.00 -0.37 0.00 0.00 57.07 56.94 1a5f s TYR 100 Cb 0.04 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1a5f s TYR 100 CO 0.18 0.40 1.06 -1.25 -1.57 0.00 0.00 175.55 174.37 1a5f s PRO 101 N -1.45 3.06 -0.22 -1.71 0.04 -1.26 -4.94 135.00 128.53 1a5f s PRO 101 Ca 0.18 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 1a5f s PRO 101 Cb -0.11 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1a5f s PRO 101 CO 0.08 -0.97 1.25 -0.51 0.04 0.00 0.00 177.00 176.90 1a5f s LEU 102 N -5.43 4.08 -0.15 -3.56 1.43 -1.25 -4.71 118.68 109.08 1a5f s LEU 102 Ca 0.57 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 55.16 1a5f s LEU 102 Cb -0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1a5f s LEU 102 CO 0.54 -0.86 -0.10 0.42 0.23 0.00 0.00 176.35 176.59 1a5f s THR 103 N 3.75 3.24 0.36 5.49 -4.23 -1.26 -4.99 115.64 118.00 1a5f s THR 103 Ca 0.54 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1a5f s THR 103 Cb -0.19 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.32 1a5f s THR 103 CO 0.16 0.50 0.49 0.49 -0.54 0.00 0.00 174.62 175.73 1a5f n PHE 104 N 3.73 -2.74 -1.71 3.99 3.72 -1.26 -0.43 117.46 122.77 1a5f n PHE 104 Ca -0.18 -1.17 0.00 0.00 -0.05 0.00 0.00 57.45 56.05 1a5f n PHE 104 Cb 0.52 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1a5f n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a5f n GLY 105 N 0.83 2.54 0.08 1.37 0.00 0.89 -4.20 105.19 106.69 1a5f n GLY 105 Ca 0.09 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 1a5f n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5f n ALA 106 N -3.00 1.81 0.00 4.61 0.00 -1.26 -4.87 120.51 117.80 1a5f n ALA 106 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1a5f n ALA 106 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1a5f n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5f n GLY 107 N 1.59 2.41 3.06 0.00 0.00 -1.26 -4.97 105.19 106.03 1a5f n GLY 107 Ca -0.23 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 43.74 1a5f n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a5f s THR 108 N -2.44 1.07 0.08 2.61 2.01 -0.62 -4.23 115.64 114.11 1a5f s THR 108 Ca 0.00 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.55 1a5f s THR 108 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1a5f s THR 108 CO 0.00 0.32 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.36 1a5f s LYS 109 N 0.09 2.07 -0.14 4.92 2.20 0.05 -0.04 119.74 128.89 1a5f s LYS 109 Ca -0.03 -1.02 -0.05 0.00 -0.36 0.00 0.00 55.97 54.51 1a5f s LYS 109 Cb -0.09 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 1a5f s LYS 109 CO 0.01 0.52 0.03 -0.51 -0.36 0.00 0.00 175.35 175.04 1a5f s LEU 110 N -1.92 3.69 -0.08 5.43 2.01 -1.14 -0.98 118.68 125.68 1a5f s LEU 110 Ca 0.18 0.10 0.01 0.00 0.01 0.00 0.00 54.13 54.44 1a5f s LEU 110 Cb -0.11 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.22 1a5f s LEU 110 CO 0.10 0.26 -0.11 -1.83 1.01 0.00 0.00 176.35 175.78 1a5f s GLU 111 N -0.18 1.68 -0.18 1.70 -1.05 -1.06 -4.43 118.70 115.18 1a5f s GLU 111 Ca 0.06 -0.38 -0.29 0.00 -0.15 0.00 0.00 54.97 54.21 1a5f s GLU 111 Cb -0.12 -1.48 -0.01 0.00 -0.44 0.00 0.00 34.13 32.07 1a5f s GLU 111 CO 0.02 -0.06 1.31 -0.51 0.95 0.00 0.00 175.26 176.96 1a5f s LEU 112 N 0.98 4.12 -0.19 1.83 1.43 -1.26 -0.69 118.68 124.91 1a5f s LEU 112 Ca -0.09 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 1a5f s LEU 112 Cb -0.15 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.46 1a5f s LEU 112 CO -0.00 -0.85 2.14 0.29 0.23 0.00 0.00 176.35 178.16 1a5f n LYS 113 N 6.81 1.97 0.00 1.70 5.02 -0.02 -4.88 118.16 128.77 1a5f n LYS 113 Ca 0.14 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1a5f n LYS 113 Cb 0.45 -2.99 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 1a5f n LYS 113 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1a5f n ARG 114 N 8.21 3.79 -4.53 1.97 -4.01 -1.26 -4.83 116.66 115.99 1a5f n ARG 114 Ca 0.30 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.89 1a5f n ARG 114 Cb 0.38 0.00 -0.14 0.00 -3.04 0.00 0.00 32.46 29.66 1a5f n ARG 114 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1a5f s ALA 115 N -2.51 1.20 0.08 2.89 0.00 -1.26 -5.08 121.76 117.07 1a5f s ALA 115 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1a5f s ALA 115 Cb 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 23.12 22.76 1a5f s ALA 115 CO 0.00 0.27 0.43 -0.25 0.00 0.00 0.00 175.76 176.21 1a5f n ASP 116 N 2.37 -0.50 -3.88 0.00 9.92 -1.26 -4.65 116.55 118.56 1a5f n ASP 116 Ca -0.16 0.69 -0.17 0.00 -0.53 0.00 0.00 54.79 54.63 1a5f n ASP 116 Cb 0.55 -0.57 -0.16 0.00 -0.64 0.00 0.00 41.12 40.30 1a5f n ASP 116 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5f s ALA 117 N -0.40 0.41 -0.03 2.24 0.00 0.62 -4.77 121.76 119.84 1a5f s ALA 117 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1a5f s ALA 117 Cb -0.64 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1a5f s ALA 117 CO 0.34 0.00 0.98 0.00 0.00 0.00 0.00 175.76 177.08 1a5f s ALA 118 N 0.61 3.23 0.42 0.00 0.00 -1.26 -1.50 121.76 123.25 1a5f s ALA 118 Ca -0.07 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 1a5f s ALA 118 Cb -0.10 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 1a5f s ALA 118 CO -0.01 -0.32 1.17 -0.35 0.00 0.00 0.00 175.76 176.25 1a5f n PRO 119 N 4.18 1.70 -3.40 0.00 -0.04 -1.26 -4.67 135.00 131.51 1a5f n PRO 119 Ca 0.06 0.61 -0.44 0.00 -0.04 0.00 0.00 63.50 63.69 1a5f n PRO 119 Cb 0.50 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1a5f n PRO 119 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1a5f s THR 120 N -1.22 5.50 0.25 0.52 2.01 0.37 -4.92 115.64 118.15 1a5f s THR 120 Ca 0.62 -3.08 -0.30 0.00 0.31 0.00 0.00 61.69 59.24 1a5f s THR 120 Cb -0.53 -4.36 -0.09 0.00 0.01 0.00 0.00 72.50 67.52 1a5f s THR 120 CO 0.58 -1.09 1.17 -0.69 -0.69 0.00 0.00 174.62 173.89 1a5f s VAL 121 N -0.64 3.41 -0.15 3.82 1.01 -1.25 -3.11 120.40 123.48 1a5f s VAL 121 Ca 0.24 1.32 -0.14 0.00 0.00 0.00 0.00 61.98 63.40 1a5f s VAL 121 Cb -0.10 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1a5f s VAL 121 CO -0.09 0.27 0.40 -0.94 0.00 0.00 0.00 175.10 174.75 1a5f s SER 122 N -0.42 -0.42 0.10 3.32 1.04 -0.99 -4.96 113.70 111.37 1a5f s SER 122 Ca 0.48 0.81 0.10 0.00 0.48 0.00 0.00 55.95 57.82 1a5f s SER 122 Cb -0.33 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1a5f s SER 122 CO 0.41 -0.14 -0.25 -0.51 0.98 0.00 0.00 173.24 173.73 1a5f s ILE 123 N 0.22 2.33 -0.09 -1.02 2.07 -1.26 -0.02 121.20 123.44 1a5f s ILE 123 Ca -0.00 -1.59 -0.00 0.00 -1.41 0.00 0.00 60.65 57.65 1a5f s ILE 123 Cb -0.03 -2.00 0.02 0.00 0.13 0.00 0.00 42.46 40.59 1a5f s ILE 123 CO 0.00 0.19 -0.05 -0.36 -1.91 0.00 0.00 174.94 172.81 1a5f s PHE 124 N -0.99 1.13 0.58 3.50 0.40 0.16 -4.96 117.98 117.80 1a5f s PHE 124 Ca 0.14 -0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 55.82 1a5f s PHE 124 Cb -0.10 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 1a5f s PHE 124 CO 0.05 -0.39 1.11 -1.25 0.70 0.00 0.00 175.22 175.45 1a5f s PRO 125 N 1.55 3.21 0.64 0.24 0.04 -1.26 -2.86 135.00 136.56 1a5f s PRO 125 Ca 0.00 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1a5f s PRO 125 Cb -0.13 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1a5f s PRO 125 CO -0.05 -0.94 0.25 -2.30 0.04 0.00 0.00 177.00 174.00 1a5f n PRO 126 N -1.65 0.26 -2.02 0.56 -0.02 -1.23 -4.91 135.00 125.99 1a5f n PRO 126 Ca 0.11 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.40 1a5f n PRO 126 Cb 0.51 -1.51 0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1a5f n PRO 126 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1a5f s SER 127 N -1.22 5.80 0.06 2.55 1.04 -1.26 -4.94 113.70 115.72 1a5f s SER 127 Ca 0.62 1.15 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 1a5f s SER 127 Cb -0.40 -2.10 -0.07 0.00 0.10 0.00 0.00 66.02 63.54 1a5f s SER 127 CO 0.61 -1.08 1.29 -1.28 0.98 0.00 0.00 173.24 173.76 1a5f h SER 128 N -0.40 -0.87 -0.88 7.02 0.87 -2.01 -1.45 113.55 115.84 1a5f h SER 128 Ca -0.45 0.10 0.19 0.00 -1.23 0.00 0.00 61.79 60.39 1a5f h SER 128 Cb 1.23 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 63.45 1a5f h SER 128 CO 0.63 -0.27 0.58 1.05 -0.53 0.00 0.00 176.83 178.28 1a5f h GLU 129 N -0.35 0.44 -0.49 2.24 9.09 -1.99 0.68 114.58 124.19 1a5f h GLU 129 Ca 0.01 -0.03 0.11 0.00 0.05 0.00 0.00 59.36 59.50 1a5f h GLU 129 Cb 0.38 -0.10 -0.03 0.00 -1.65 0.00 0.00 28.75 27.35 1a5f h GLU 129 CO -0.19 0.29 0.34 0.37 0.05 0.00 0.00 179.01 179.88 1a5f h GLN 130 N 0.46 0.17 0.00 1.06 -0.00 -1.57 -1.89 115.11 113.34 1a5f h GLN 130 Ca 0.45 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.95 1a5f h GLN 130 Cb 1.04 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.46 1a5f h GLN 130 CO -0.18 0.11 -0.99 -0.07 0.00 0.00 0.00 178.83 177.71 1a5f h LEU 131 N 0.18 0.00 -1.19 -2.39 3.38 -0.61 -3.20 115.31 111.47 1a5f h LEU 131 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1a5f h LEU 131 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1a5f h LEU 131 CO -0.04 0.55 0.00 0.74 0.09 0.00 0.00 178.44 179.78 1a5f h THR 132 N 0.00 1.20 0.00 0.22 2.02 -1.35 -1.27 112.91 113.73 1a5f h THR 132 Ca -0.08 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1a5f h THR 132 Cb 1.49 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1a5f h THR 132 CO 0.06 0.28 0.00 -1.54 0.37 0.00 0.00 175.52 174.68 1a5f n SER 133 N -4.27 3.76 0.00 4.18 3.41 -1.18 -4.78 113.62 114.75 1a5f n SER 133 Ca 0.02 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1a5f n SER 133 Cb 0.25 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1a5f n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5f n GLY 134 N 1.29 0.00 3.45 5.00 0.00 -0.48 -4.85 105.19 109.60 1a5f n GLY 134 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1a5f n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5f s GLY 135 N -0.51 2.12 -0.29 -0.02 0.00 -1.21 -0.82 107.32 106.60 1a5f s GLY 135 Ca 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 42.81 1a5f s GLY 135 CO 0.00 -1.81 0.57 0.00 0.00 0.00 0.00 173.10 171.86 1a5f s ALA 136 N -3.31 -2.20 0.19 3.20 0.00 0.37 -3.16 121.76 116.85 1a5f s ALA 136 Ca 0.35 1.27 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 1a5f s ALA 136 Cb 0.08 -2.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 1a5f s ALA 136 CO 0.15 -1.62 0.47 -1.12 0.00 0.00 0.00 175.76 173.64 1a5f s SER 137 N 2.81 6.57 -0.27 0.00 0.01 -1.26 0.84 113.70 122.39 1a5f s SER 137 Ca 0.14 0.77 0.01 0.00 1.31 0.00 0.00 55.95 58.18 1a5f s SER 137 Cb -0.12 -2.17 0.08 0.00 0.21 0.00 0.00 66.02 64.02 1a5f s SER 137 CO -0.24 -0.01 -0.00 -0.69 0.41 0.00 0.00 173.24 172.70 1a5f s VAL 138 N -1.74 1.55 0.14 3.43 1.01 -0.12 -3.52 120.40 121.15 1a5f s VAL 138 Ca 0.44 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 1a5f s VAL 138 Cb -0.12 -1.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 1a5f s VAL 138 CO 0.23 -0.31 0.63 -0.69 0.00 0.00 0.00 175.10 174.96 1a5f s VAL 139 N 1.34 4.67 -0.07 2.92 1.01 -1.13 -2.30 120.40 126.84 1a5f s VAL 139 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1a5f s VAL 139 Cb -0.19 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1a5f s VAL 139 CO -0.10 0.39 -0.11 0.00 0.00 0.00 0.00 175.10 175.28 1a5f s PHE 141 N 0.78 3.28 -1.14 0.00 0.08 0.97 -2.72 117.98 119.23 1a5f s PHE 141 Ca -0.12 -1.19 -0.10 0.00 0.12 0.00 0.00 56.93 55.64 1a5f s PHE 141 Cb -0.15 -2.69 0.26 0.00 -0.57 0.00 0.00 43.02 39.87 1a5f s PHE 141 CO 0.02 -0.74 1.23 1.28 -0.10 0.00 0.00 175.22 176.92 1a5f n LEU 142 N 4.98 5.57 -4.84 -0.37 4.32 -0.11 -2.35 117.00 124.20 1a5f n LEU 142 Ca -0.11 -4.93 -0.34 0.00 -0.02 0.00 0.00 56.01 50.61 1a5f n LEU 142 Cb 0.45 -1.49 -0.06 0.00 -1.62 0.00 0.00 43.42 40.69 1a5f n LEU 142 CO 0.38 1.25 0.36 0.20 -1.22 0.00 0.00 177.39 178.36 1a5f s ASN 143 N 1.34 6.88 -0.38 -1.43 0.01 -1.18 -1.42 114.94 118.76 1a5f s ASN 143 Ca 0.34 1.25 -0.17 0.00 -0.71 0.00 0.00 52.86 53.57 1a5f s ASN 143 Cb -0.07 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.26 1a5f s ASN 143 CO -0.05 -0.04 0.45 0.59 -1.51 0.00 0.00 177.10 176.55 1a5f n ASN 144 N 0.31 -7.30 -4.15 -1.22 4.13 -0.22 -0.47 115.26 106.33 1a5f n ASN 144 Ca -0.01 0.54 -0.10 0.00 1.68 0.00 0.00 54.58 56.69 1a5f n ASN 144 Cb 0.52 -4.22 -0.10 0.00 -1.54 0.00 0.00 39.78 34.45 1a5f n ASN 144 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a5f s PHE 145 N -2.03 0.91 -0.27 3.10 -0.71 0.10 -4.18 117.98 114.90 1a5f s PHE 145 Ca 0.21 -1.23 -0.21 0.00 -1.04 0.00 0.00 56.93 54.66 1a5f s PHE 145 Cb -0.04 -0.45 0.08 0.00 -1.21 0.00 0.00 43.02 41.39 1a5f s PHE 145 CO 0.73 -0.59 0.71 -0.47 -1.34 0.00 0.00 175.22 174.27 1a5f s TYR 146 N -4.08 -0.90 1.18 3.49 6.14 -0.57 -1.97 117.35 120.64 1a5f s TYR 146 Ca 0.28 2.01 -0.19 0.00 0.64 0.00 0.00 57.07 59.80 1a5f s TYR 146 Cb 0.07 0.43 0.28 0.00 0.42 0.00 0.00 41.96 43.16 1a5f s TYR 146 CO 0.05 -0.44 1.17 -1.25 0.64 0.00 0.00 175.55 175.72 1a5f s PRO 147 N 0.92 -1.04 0.32 4.97 0.04 -1.26 -0.28 135.00 138.68 1a5f s PRO 147 Ca -0.04 -0.23 0.09 0.00 0.04 0.00 0.00 61.00 60.85 1a5f s PRO 147 Cb -0.05 -1.63 0.85 0.00 0.04 0.00 0.00 34.50 33.71 1a5f s PRO 147 CO -0.08 -3.56 1.76 -0.22 0.04 0.00 0.00 177.00 174.94 1a5f h LYS 148 N -2.47 0.62 -6.92 4.56 1.63 -1.98 -3.44 116.57 108.58 1a5f h LYS 148 Ca -0.43 -0.04 -0.53 0.00 -0.85 0.00 0.00 60.65 58.80 1a5f h LYS 148 Cb 1.27 -0.14 0.09 0.00 -0.60 0.00 0.00 32.23 32.85 1a5f h LYS 148 CO 0.31 0.41 0.70 -0.51 -3.45 0.00 0.00 179.45 176.91 1a5f s ASP 149 N -5.32 6.51 0.00 4.20 1.01 -1.26 -5.03 116.67 116.79 1a5f s ASP 149 Ca -0.11 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.00 1a5f s ASP 149 Cb 0.26 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1a5f s ASP 149 CO 0.80 -0.73 0.00 0.00 0.21 0.00 0.00 175.17 175.45 1a5f n ILE 150 N 0.55 0.00 -4.19 0.77 3.06 -1.26 -4.40 119.36 113.90 1a5f n ILE 150 Ca 0.01 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 59.94 1a5f n ILE 150 Cb 0.41 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.43 1a5f n ILE 150 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 1a5f s ASN 151 N 0.00 2.94 0.61 9.51 3.84 0.38 -4.96 114.94 127.26 1a5f s ASN 151 Ca 0.00 -0.58 -0.02 0.00 0.21 0.00 0.00 52.86 52.47 1a5f s ASN 151 Cb 0.00 -1.36 0.04 0.00 -0.55 0.00 0.00 41.25 39.38 1a5f s ASN 151 CO 0.00 -0.01 0.87 0.54 -2.79 0.00 0.00 177.10 175.72 1a5f s VAL 152 N 1.27 2.67 -0.17 -5.21 0.11 -1.26 0.02 120.40 117.82 1a5f s VAL 152 Ca 0.03 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1a5f s VAL 152 Cb -0.13 -3.07 0.07 0.00 -1.53 0.00 0.00 36.38 31.72 1a5f s VAL 152 CO -0.10 -0.06 0.37 -0.75 -3.33 0.00 0.00 175.10 171.23 1a5f s LYS 153 N -4.96 0.29 0.19 1.54 2.47 -0.67 -4.91 119.74 113.69 1a5f s LYS 153 Ca 0.58 0.88 0.04 0.00 -1.56 0.00 0.00 55.97 55.90 1a5f s LYS 153 Cb -0.10 0.13 -0.03 0.00 -1.46 0.00 0.00 37.83 36.36 1a5f s LYS 153 CO 0.41 -0.23 0.31 -1.58 0.16 0.00 0.00 175.35 174.42 1a5f s TRP 154 N 2.18 3.45 -0.30 4.03 0.52 -1.26 -0.43 118.94 127.14 1a5f s TRP 154 Ca -0.03 0.05 -0.18 0.00 0.02 0.00 0.00 56.10 55.95 1a5f s TRP 154 Cb -0.11 -1.61 0.21 0.00 -1.15 0.00 0.00 33.47 30.81 1a5f s TRP 154 CO -0.11 0.48 1.31 -1.59 0.02 0.00 0.00 176.95 177.05 1a5f s LYS 155 N -3.58 0.01 0.05 4.98 -2.85 -1.23 -1.46 119.74 115.65 1a5f s LYS 155 Ca 0.34 0.02 -0.19 0.00 -1.00 0.00 0.00 55.97 55.14 1a5f s LYS 155 Cb -0.10 0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.61 1a5f s LYS 155 CO 0.28 -0.00 0.57 0.42 0.10 0.00 0.00 175.35 176.72 1a5f s ILE 156 N 1.55 4.79 -1.15 3.79 -1.09 -0.82 -2.60 121.20 125.67 1a5f s ILE 156 Ca -0.03 1.20 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 1a5f s ILE 156 Cb -0.01 -3.90 0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1a5f s ILE 156 CO -0.13 0.53 0.25 0.47 -1.23 0.00 0.00 174.94 174.83 1a5f n ASP 157 N 1.94 -1.04 0.00 3.58 9.92 -0.81 -0.81 116.55 129.33 1a5f n ASP 157 Ca -0.10 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 1a5f n ASP 157 Cb 0.51 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 1a5f n ASP 157 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a5f n GLY 158 N -2.13 2.90 3.42 0.44 0.00 -1.26 -5.00 105.19 103.56 1a5f n GLY 158 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1a5f n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5f s SER 159 N -2.89 4.54 -0.09 1.61 1.04 0.01 -5.05 113.70 112.88 1a5f s SER 159 Ca 0.00 -0.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 1a5f s SER 159 Cb 0.00 -1.75 -0.08 0.00 0.10 0.00 0.00 66.02 64.29 1a5f s SER 159 CO 0.00 0.10 2.07 1.21 0.98 0.00 0.00 173.24 177.60 1a5f n GLU 160 N 4.01 2.38 -3.29 4.02 2.13 -1.26 -1.95 120.64 126.68 1a5f n GLU 160 Ca -0.18 0.80 -0.46 0.00 0.66 0.00 0.00 57.16 57.98 1a5f n GLU 160 Cb 0.52 -3.03 -0.03 0.00 0.27 0.00 0.00 31.44 29.17 1a5f n GLU 160 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1a5f s ARG 161 N 5.21 3.40 -0.26 5.31 6.06 -0.54 -4.91 118.95 133.23 1a5f s ARG 161 Ca 0.95 -2.16 0.00 0.00 -2.50 0.00 0.00 55.73 52.02 1a5f s ARG 161 Cb -0.45 -4.41 0.23 0.00 0.06 0.00 0.00 34.95 30.39 1a5f s ARG 161 CO 0.41 -1.34 1.79 0.00 -2.50 0.00 0.00 175.30 173.66 1a5f n GLN 162 N 4.58 1.66 -3.81 5.12 10.64 -1.26 -4.55 117.38 129.77 1a5f n GLN 162 Ca 0.05 -1.39 -0.13 0.00 -1.83 0.00 0.00 57.00 53.70 1a5f n GLN 162 Cb 0.45 -1.54 -0.14 0.00 -0.86 0.00 0.00 30.24 28.14 1a5f n GLN 162 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1a5f s ASN 163 N 0.21 -0.04 0.00 2.61 3.84 -1.26 -4.83 114.94 115.47 1a5f s ASN 163 Ca 0.27 0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.48 1a5f s ASN 163 Cb 0.22 0.08 0.00 0.00 -0.55 0.00 0.00 41.25 41.00 1a5f s ASN 163 CO 0.02 -0.08 0.00 0.61 -2.79 0.00 0.00 177.10 174.86 1a5f n GLY 164 N 3.60 0.67 3.59 1.21 0.00 -1.26 -4.78 105.19 108.22 1a5f n GLY 164 Ca -0.19 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1a5f n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5f s VAL 165 N -2.00 5.05 -0.23 1.61 1.01 -1.26 -1.24 120.40 123.34 1a5f s VAL 165 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 61.98 62.54 1a5f s VAL 165 Cb 0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1a5f s VAL 165 CO 0.00 -0.04 0.07 -0.76 0.00 0.00 0.00 175.10 174.36 1a5f s LEU 166 N 2.34 3.54 -0.32 3.92 1.43 0.38 -4.90 118.68 125.08 1a5f s LEU 166 Ca 0.20 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1a5f s LEU 166 Cb -0.15 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.18 1a5f s LEU 166 CO 0.11 0.03 0.04 0.20 0.23 0.00 0.00 176.35 176.96 1a5f s ASN 167 N 1.25 5.06 -0.45 2.29 0.01 -1.26 -1.39 114.94 120.46 1a5f s ASN 167 Ca 0.05 -1.23 -0.13 0.00 -0.71 0.00 0.00 52.86 50.84 1a5f s ASN 167 Cb -0.15 -1.78 0.08 0.00 0.41 0.00 0.00 41.25 39.82 1a5f s ASN 167 CO 0.03 -0.29 0.34 -0.55 -1.51 0.00 0.00 177.10 175.13 1a5f s SER 168 N 1.32 5.93 0.92 -1.22 0.15 0.22 -4.93 113.70 116.09 1a5f s SER 168 Ca -0.04 -1.43 -0.15 0.00 0.70 0.00 0.00 55.95 55.03 1a5f s SER 168 Cb -0.20 -2.10 0.16 0.00 -1.71 0.00 0.00 66.02 62.18 1a5f s SER 168 CO 0.00 -0.61 1.28 0.26 1.20 0.00 0.00 173.24 175.37 1a5f s TRP 169 N 1.54 1.99 -0.06 3.44 0.51 -1.26 -1.01 118.94 124.09 1a5f s TRP 169 Ca 0.04 0.44 -0.03 0.00 -2.12 0.00 0.00 56.10 54.43 1a5f s TRP 169 Cb -0.24 -3.93 0.04 0.00 -0.81 0.00 0.00 33.47 28.53 1a5f s TRP 169 CO 0.04 -2.39 0.13 0.99 -0.51 0.00 0.00 176.95 175.21 1a5f s THR 170 N -3.79 -0.14 0.47 2.01 2.01 -1.10 -4.89 115.64 110.21 1a5f s THR 170 Ca 0.70 0.28 -0.22 0.00 0.31 0.00 0.00 61.69 62.76 1a5f s THR 170 Cb -0.06 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.13 1a5f s THR 170 CO 0.52 0.12 0.96 -0.67 -0.69 0.00 0.00 174.62 174.85 1a5f n ASP 171 N 4.77 0.96 -4.39 3.53 -0.08 -1.26 -4.28 116.55 115.81 1a5f n ASP 171 Ca -0.15 0.96 -0.42 0.00 -1.51 0.00 0.00 54.79 53.67 1a5f n ASP 171 Cb 0.51 -1.35 0.01 0.00 2.34 0.00 0.00 41.12 42.62 1a5f n ASP 171 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1a5f n GLN 172 N -0.13 0.33 -2.83 -0.67 7.27 -1.26 -4.87 117.38 115.21 1a5f n GLN 172 Ca 0.10 0.12 -0.33 0.00 0.07 0.00 0.00 57.00 56.96 1a5f n GLN 172 Cb 0.42 -1.31 -0.07 0.00 2.41 0.00 0.00 30.24 31.69 1a5f n GLN 172 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1a5f s ASP 173 N -0.99 6.92 -0.09 1.69 -1.08 0.81 -4.86 116.67 119.08 1a5f s ASP 173 Ca 0.62 1.66 -0.16 0.00 -0.52 0.00 0.00 52.55 54.15 1a5f s ASP 173 Cb -0.61 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.20 1a5f s ASP 173 CO 0.60 -0.35 0.55 0.77 0.52 0.00 0.00 175.17 177.26 1a5f h SER 174 N 1.91 -0.11 0.21 -0.34 4.64 -1.92 -1.26 113.55 116.68 1a5f h SER 174 Ca -0.49 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 60.46 1a5f h SER 174 Cb 1.18 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1a5f h SER 174 CO 0.61 0.52 -0.10 0.50 -0.87 0.00 0.00 176.83 177.50 1a5f h LYS 175 N -0.96 -0.27 -0.34 4.77 3.64 -1.99 -3.33 116.57 118.09 1a5f h LYS 175 Ca -0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1a5f h LYS 175 Cb 0.46 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1a5f h LYS 175 CO 0.02 -0.10 0.00 -0.40 -2.27 0.00 0.00 179.45 176.70 1a5f n ASP 176 N -5.17 3.00 -4.03 4.20 5.75 -1.26 -4.97 116.55 114.08 1a5f n ASP 176 Ca -0.09 -1.89 -0.29 0.00 -0.01 0.00 0.00 54.79 52.51 1a5f n ASP 176 Cb 0.17 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1a5f n ASP 176 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1a5f n SER 177 N 0.93 -1.74 -4.47 -1.12 7.64 -0.47 -4.89 113.62 109.50 1a5f n SER 177 Ca 0.14 -0.98 -0.26 0.00 1.01 0.00 0.00 58.87 58.78 1a5f n SER 177 Cb 0.47 -3.08 -0.11 0.00 -1.01 0.00 0.00 64.21 60.48 1a5f n SER 177 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a5f s THR 178 N -3.68 2.56 0.16 0.44 2.01 -1.25 -4.61 115.64 111.27 1a5f s THR 178 Ca 0.30 -2.01 0.07 0.00 0.31 0.00 0.00 61.69 60.36 1a5f s THR 178 Cb -0.16 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1a5f s THR 178 CO 0.89 -0.16 0.02 -0.31 -0.69 0.00 0.00 174.62 174.37 1a5f s TYR 179 N -1.82 2.91 0.25 4.92 2.02 -0.83 -0.13 117.35 124.67 1a5f s TYR 179 Ca 0.23 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1a5f s TYR 179 Cb -0.08 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1a5f s TYR 179 CO 0.12 0.51 0.15 -1.12 -1.57 0.00 0.00 175.55 173.64 1a5f s SER 180 N -2.83 0.80 0.03 2.29 0.01 -1.26 0.03 113.70 112.76 1a5f s SER 180 Ca 0.27 -1.48 -0.27 0.00 1.31 0.00 0.00 55.95 55.79 1a5f s SER 180 Cb -0.10 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.60 1a5f s SER 180 CO 0.19 -0.87 0.78 0.00 0.41 0.00 0.00 173.24 173.75 1a5f s MET 181 N -3.97 0.98 -0.29 12.44 0.00 -0.51 -2.70 119.30 125.26 1a5f s MET 181 Ca 0.38 -0.23 -0.04 0.00 0.00 0.00 0.00 55.69 55.81 1a5f s MET 181 Cb 0.06 0.45 0.10 0.00 0.00 0.00 0.00 34.83 35.44 1a5f s MET 181 CO 0.16 -0.40 0.13 0.45 0.00 0.00 0.00 175.02 175.35 1a5f s SER 182 N -2.24 3.55 -0.19 -1.18 0.15 -0.18 -0.94 113.70 112.67 1a5f s SER 182 Ca 0.01 -1.30 -0.09 0.00 0.70 0.00 0.00 55.95 55.27 1a5f s SER 182 Cb -0.01 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1a5f s SER 182 CO -0.07 -0.43 0.10 -0.55 1.20 0.00 0.00 173.24 173.49 1a5f s SER 183 N 2.05 5.89 -0.05 5.45 0.15 -1.10 -0.61 113.70 125.49 1a5f s SER 183 Ca 0.09 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 1a5f s SER 183 Cb -0.16 -2.02 0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1a5f s SER 183 CO -0.35 0.17 0.02 0.28 1.20 0.00 0.00 173.24 174.56 1a5f s THR 184 N 0.42 0.13 -0.39 6.45 -1.32 -0.49 -1.11 115.64 119.33 1a5f s THR 184 Ca 0.05 0.23 -0.11 0.00 -1.21 0.00 0.00 61.69 60.65 1a5f s THR 184 Cb -0.12 -0.31 0.04 0.00 -1.51 0.00 0.00 72.50 70.60 1a5f s THR 184 CO -0.00 0.19 0.23 -0.22 -2.21 0.00 0.00 174.62 172.61 1a5f s LEU 185 N 1.74 4.85 0.10 9.08 0.20 -0.97 -0.47 118.68 133.21 1a5f s LEU 185 Ca 0.00 -1.08 -0.18 0.00 0.69 0.00 0.00 54.13 53.56 1a5f s LEU 185 Cb -0.13 -2.03 -0.07 0.00 -0.43 0.00 0.00 46.19 43.53 1a5f s LEU 185 CO -0.03 -0.42 0.58 -0.89 -0.29 0.00 0.00 176.35 175.29 1a5f s THR 186 N 1.55 4.75 0.32 3.68 2.01 -0.37 -0.94 115.64 126.63 1a5f s THR 186 Ca 0.02 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.20 1a5f s THR 186 Cb -0.20 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1a5f s THR 186 CO 0.06 0.45 0.31 -0.76 -0.69 0.00 0.00 174.62 174.00 1a5f s LEU 187 N -1.38 1.48 0.33 4.42 1.43 0.25 -4.71 118.68 120.50 1a5f s LEU 187 Ca 0.32 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 51.75 1a5f s LEU 187 Cb -0.18 0.77 -0.05 0.00 0.03 0.00 0.00 46.19 46.77 1a5f s LEU 187 CO 0.19 -1.10 0.58 0.42 0.23 0.00 0.00 176.35 176.68 1a5f s THR 188 N -3.44 5.03 0.13 5.49 -4.23 -1.26 0.14 115.64 117.50 1a5f s THR 188 Ca 0.38 -0.06 -0.32 0.00 -1.18 0.00 0.00 61.69 60.50 1a5f s THR 188 Cb 0.02 -3.78 -0.10 0.00 1.34 0.00 0.00 72.50 69.98 1a5f s THR 188 CO 0.24 -0.44 1.56 0.50 -0.54 0.00 0.00 174.62 175.94 1a5f h LYS 189 N 1.28 -0.50 0.00 3.99 3.64 -1.19 0.44 116.57 124.23 1a5f h LYS 189 Ca -0.48 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1a5f h LYS 189 Cb 1.20 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1a5f h LYS 189 CO 0.64 -0.33 0.00 -0.44 -2.27 0.00 0.00 179.45 177.05 1a5f h ASP 190 N -0.52 0.00 0.02 4.20 3.32 -1.95 0.35 116.42 121.84 1a5f h ASP 190 Ca 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1a5f h ASP 190 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1a5f h ASP 190 CO -0.47 0.00 -0.16 -0.08 -1.72 0.00 0.00 179.24 176.82 1a5f h GLU 191 N 0.00 0.07 -0.41 3.56 4.22 -1.45 -2.44 114.58 118.13 1a5f h GLU 191 Ca 0.00 -0.10 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 1a5f h GLU 191 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1a5f h GLU 191 CO 0.00 0.99 0.05 -0.92 -2.18 0.00 0.00 179.01 176.95 1a5f h TYR 192 N -0.80 0.64 0.00 0.92 3.20 0.21 -3.14 116.97 118.00 1a5f h TYR 192 Ca -0.03 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1a5f h TYR 192 Cb 1.06 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1a5f h TYR 192 CO 0.24 0.58 -0.63 0.39 -1.64 0.00 0.00 178.16 177.11 1a5f n GLU 193 N -4.29 0.10 -0.45 1.82 1.02 0.11 -3.86 120.64 115.10 1a5f n GLU 193 Ca 0.02 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 1a5f n GLU 193 Cb 0.23 -1.55 0.12 0.00 -0.02 0.00 0.00 31.44 30.22 1a5f n GLU 193 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1a5f n ARG 194 N -1.70 2.08 -3.91 3.49 0.00 -0.92 -4.87 116.66 110.84 1a5f n ARG 194 Ca 0.04 -1.29 -0.09 0.00 -0.00 0.00 0.00 57.85 56.51 1a5f n ARG 194 Cb 0.37 -1.66 -0.01 0.00 0.00 0.00 0.00 32.46 31.16 1a5f n ARG 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1a5f s HIS 195 N -1.56 0.24 0.00 -0.14 3.76 -1.25 -5.04 115.29 111.30 1a5f s HIS 195 Ca 0.23 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1a5f s HIS 195 Cb 0.19 0.53 0.00 0.00 1.11 0.00 0.00 32.58 34.40 1a5f s HIS 195 CO 0.06 -1.30 0.00 0.09 -0.85 0.00 0.00 174.74 172.74 1a5f n ASN 196 N -0.96 0.00 -4.79 1.40 3.02 -1.26 -4.82 115.26 107.84 1a5f n ASN 196 Ca -0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.18 1a5f n ASN 196 Cb 0.60 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.80 1a5f n ASN 196 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1a5f s SER 197 N 0.97 5.52 -0.10 6.41 0.01 -1.26 -0.21 113.70 125.04 1a5f s SER 197 Ca 0.00 1.87 -0.12 0.00 1.31 0.00 0.00 55.95 59.01 1a5f s SER 197 Cb 0.00 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.72 1a5f s SER 197 CO 0.00 -1.35 0.32 -0.31 0.41 0.00 0.00 173.24 172.32 1a5f s TYR 198 N -2.45 -0.32 0.00 2.43 2.02 0.08 -1.92 117.35 117.19 1a5f s TYR 198 Ca 0.64 0.76 -0.04 0.00 -0.37 0.00 0.00 57.07 58.07 1a5f s TYR 198 Cb -0.17 0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.50 1a5f s TYR 198 CO 0.40 -0.22 0.06 0.99 -1.57 0.00 0.00 175.55 175.21 1a5f s THR 199 N -0.12 0.08 -0.30 -0.71 2.01 -1.07 0.16 115.64 115.68 1a5f s THR 199 Ca -0.03 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1a5f s THR 199 Cb -0.03 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.22 1a5f s THR 199 CO 0.01 -0.35 0.03 0.00 -0.69 0.00 0.00 174.62 173.62 1a5f s GLU 201 N 1.33 3.23 -0.23 0.00 2.56 0.43 -1.51 118.70 124.51 1a5f s GLU 201 Ca -0.03 -3.15 -0.28 0.00 0.00 0.00 0.00 54.97 51.51 1a5f s GLU 201 Cb -0.19 -3.97 0.01 0.00 2.00 0.00 0.00 34.13 31.98 1a5f s GLU 201 CO 0.00 -1.25 0.98 0.00 -0.56 0.00 0.00 175.26 174.43 1a5f s ALA 202 N -1.12 3.67 -0.30 6.30 0.00 -0.60 -1.67 121.76 128.04 1a5f s ALA 202 Ca 0.26 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 1a5f s ALA 202 Cb -0.09 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1a5f s ALA 202 CO -0.11 -1.00 0.08 0.99 0.00 0.00 0.00 175.76 175.73 1a5f s THR 203 N 3.05 3.97 0.16 0.00 2.01 0.10 -0.06 115.64 124.88 1a5f s THR 203 Ca 0.42 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1a5f s THR 203 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1a5f s THR 203 CO 0.07 0.07 0.01 -2.28 -0.69 0.00 0.00 174.62 171.80 1a5f s HIS 204 N 1.50 1.12 0.19 4.92 5.04 -1.26 -0.47 115.29 126.33 1a5f s HIS 204 Ca 0.02 -1.06 -0.12 0.00 -1.54 0.00 0.00 55.06 52.36 1a5f s HIS 204 Cb -0.17 -0.64 0.14 0.00 0.04 0.00 0.00 32.58 31.95 1a5f s HIS 204 CO 0.02 -0.27 1.83 -0.22 -2.34 0.00 0.00 174.74 173.76 1a5f h LYS 205 N 2.74 0.69 -0.27 2.88 3.64 -1.91 -3.30 116.57 121.05 1a5f h LYS 205 Ca -0.36 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.04 1a5f h LYS 205 Cb 1.20 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.79 1a5f h LYS 205 CO 0.62 0.45 -0.33 1.79 -2.27 0.00 0.00 179.45 179.71 1a5f h THR 206 N 0.71 0.24 -4.01 1.00 1.35 -1.87 -3.43 112.91 106.90 1a5f h THR 206 Ca 0.24 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.61 1a5f h THR 206 Cb 0.03 0.24 0.02 0.00 -1.73 0.00 0.00 68.15 66.72 1a5f h THR 206 CO -0.10 0.00 0.28 -0.55 -0.25 0.00 0.00 175.52 174.89 1a5f s SER 207 N -5.00 6.46 -0.25 5.36 0.15 -1.24 -4.96 113.70 114.22 1a5f s SER 207 Ca -0.15 1.33 0.10 0.00 0.70 0.00 0.00 55.95 57.93 1a5f s SER 207 Cb 0.12 -2.41 0.68 0.00 -1.71 0.00 0.00 66.02 62.69 1a5f s SER 207 CO 0.67 -0.60 1.64 1.07 1.20 0.00 0.00 173.24 177.22 1a5f n THR 208 N -1.85 2.53 -3.50 6.45 5.66 -1.26 -4.87 114.28 117.44 1a5f n THR 208 Ca 0.04 -1.33 -0.09 0.00 -3.05 0.00 0.00 64.05 59.63 1a5f n THR 208 Cb 0.54 -0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 68.93 1a5f n THR 208 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1a5f s SER 209 N -0.75 -0.39 0.70 1.09 1.04 -1.26 -5.17 113.70 108.96 1a5f s SER 209 Ca 0.48 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.78 1a5f s SER 209 Cb 0.37 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.92 1a5f s SER 209 CO 0.13 -0.64 1.25 -2.16 0.98 0.00 0.00 173.24 172.80 1a5f s PRO 210 N -3.04 2.25 -0.20 4.02 0.04 -1.26 -4.83 135.00 131.98 1a5f s PRO 210 Ca 0.04 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1a5f s PRO 210 Cb -0.01 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1a5f s PRO 210 CO -0.09 -1.78 0.13 0.42 0.04 0.00 0.00 177.00 175.72 1a5f s ILE 211 N -1.74 5.38 -0.10 0.56 1.01 0.92 -4.97 121.20 122.26 1a5f s ILE 211 Ca 0.78 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.59 1a5f s ILE 211 Cb -0.33 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1a5f s ILE 211 CO 0.43 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 175.09 1a5f s VAL 212 N 0.35 3.95 -0.45 2.92 1.01 -1.26 -1.56 120.40 125.36 1a5f s VAL 212 Ca 0.08 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1a5f s VAL 212 Cb -0.11 -2.66 0.23 0.00 0.00 0.00 0.00 36.38 33.84 1a5f s VAL 212 CO -0.02 0.57 0.68 1.17 0.00 0.00 0.00 175.10 177.50 1a5f n LYS 213 N 2.53 0.64 -3.13 2.72 3.00 -0.57 -4.99 118.16 118.36 1a5f n LYS 213 Ca -0.18 -2.44 -0.32 0.00 -0.00 0.00 0.00 58.31 55.37 1a5f n LYS 213 Cb 0.53 -1.41 -0.05 0.00 0.00 0.00 0.00 35.03 34.09 1a5f n LYS 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a5f s SER 214 N -0.89 6.67 0.14 3.14 0.15 -1.26 -1.65 113.70 120.01 1a5f s SER 214 Ca 0.33 1.16 0.04 0.00 0.70 0.00 0.00 55.95 58.18 1a5f s SER 214 Cb 0.15 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1a5f s SER 214 CO -0.17 -0.23 -0.10 0.72 1.20 0.00 0.00 173.24 174.66 1a5f s PHE 215 N -2.05 1.24 -0.18 3.44 -0.12 0.12 -4.97 117.98 115.46 1a5f s PHE 215 Ca 0.52 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.63 1a5f s PHE 215 Cb -0.10 -0.63 0.05 0.00 -0.63 0.00 0.00 43.02 41.70 1a5f s PHE 215 CO 0.22 0.07 0.01 1.21 -0.05 0.00 0.00 175.22 176.67 1a5f s ASN 216 N -3.09 2.85 0.12 1.98 3.84 -1.26 -0.74 114.94 118.63 1a5f s ASN 216 Ca 0.15 -0.75 0.04 0.00 0.21 0.00 0.00 52.86 52.51 1a5f s ASN 216 Cb 0.02 -0.70 0.37 0.00 -0.55 0.00 0.00 41.25 40.39 1a5f s ASN 216 CO 0.00 -0.26 0.56 -1.14 -2.79 0.00 0.00 177.10 173.47 1a5f n ARG 217 N 4.99 -0.02 -3.69 0.43 0.00 0.70 -2.43 116.66 116.63 1a5f n ARG 217 Ca -0.10 0.51 -0.35 0.00 -0.00 0.00 0.00 57.85 57.92 1a5f n ARG 217 Cb 0.47 -0.86 -0.08 0.00 0.00 0.00 0.00 32.46 31.99 1a5f n ARG 217 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1a5f s ASN 218 N -4.92 5.66 -0.08 6.15 0.02 -1.26 -5.00 114.94 115.51 1a5f s ASN 218 Ca -0.04 -3.55 -0.07 0.00 -1.02 0.00 0.00 52.86 48.18 1a5f s ASN 218 Cb 0.11 -1.86 0.02 0.00 0.02 0.00 0.00 41.25 39.55 1a5f s ASN 218 CO 0.28 -0.21 0.21 -1.61 0.02 0.00 0.00 177.10 175.79 1a5f s GLU 219 N -1.09 0.23 0.00 -0.60 0.41 -1.02 -5.17 118.70 111.46 1a5f s GLU 219 Ca 0.25 0.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.12 1a5f s GLU 219 Cb -0.10 0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.33 1a5f s GLU 219 CO -0.11 -0.05 0.00 0.00 -0.49 0.00 0.00 175.26 174.61