#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae n SER 2 N 0.00 0.00 0.00 1.69 2.88 -1.26 -5.15 113.62 111.78 3hae n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hae n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3hae n SER 2 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3hae n GLU 3 N 0.00 0.00 -1.91 -1.46 2.13 -1.26 -5.03 120.64 113.11 3hae n GLU 3 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 3hae n GLU 3 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 3hae n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3hae s LEU 4 N 0.00 4.15 -0.29 4.31 1.02 -1.23 -4.86 118.68 121.77 3hae s LEU 4 Ca 0.00 2.79 -0.04 0.00 0.02 0.00 0.00 54.13 56.90 3hae s LEU 4 Cb 0.00 -3.94 0.03 0.00 0.02 0.00 0.00 46.19 42.30 3hae s LEU 4 CO 0.00 -1.05 0.03 -0.89 0.02 0.00 0.00 176.35 174.46 3hae s THR 5 N -1.24 3.46 0.31 5.49 2.01 -0.46 -2.18 115.64 123.03 3hae s THR 5 Ca 0.60 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.70 3hae s THR 5 Cb -0.41 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 3hae s THR 5 CO 0.53 0.04 0.21 -1.10 -0.69 0.00 0.00 174.62 173.61 3hae s GLN 6 N 1.39 2.65 0.29 4.92 -0.21 -1.26 -1.51 119.66 125.93 3hae s GLN 6 Ca -0.00 -1.30 -0.28 0.00 0.02 0.00 0.00 55.36 53.79 3hae s GLN 6 Cb -0.18 -2.40 -0.09 0.00 1.00 0.00 0.00 33.01 31.34 3hae s GLN 6 CO -0.00 0.20 0.98 -1.25 -2.12 0.00 0.00 175.29 173.10 3hae s PRO 7 N -3.89 4.68 0.35 2.91 0.04 -1.25 -4.89 135.00 132.95 3hae s PRO 7 Ca 0.37 1.50 0.10 0.00 0.04 0.00 0.00 61.00 63.01 3hae s PRO 7 Cb -0.06 -3.06 0.86 0.00 0.04 0.00 0.00 34.50 32.29 3hae s PRO 7 CO 0.25 0.34 1.83 -0.09 0.04 0.00 0.00 177.00 179.36 3hae h ARG 8 N 3.66 0.63 -2.25 4.56 2.43 -1.98 -3.39 114.38 118.04 3hae h ARG 8 Ca -0.46 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3hae h ARG 8 Cb 1.20 -0.14 -0.23 0.00 -0.42 0.00 0.00 29.97 30.38 3hae h ARG 8 CO 0.66 0.41 -0.17 0.45 -1.51 0.00 0.00 179.97 179.82 3hae s SER 9 N -5.60 -0.76 0.12 -3.80 0.15 -1.26 -2.57 113.70 99.98 3hae s SER 9 Ca -0.10 1.29 0.04 0.00 0.70 0.00 0.00 55.95 57.87 3hae s SER 9 Cb 0.23 1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 65.97 3hae s SER 9 CO 0.79 -0.22 -0.09 0.68 1.20 0.00 0.00 173.24 175.60 3hae s VAL 10 N 2.09 0.99 0.10 4.45 -7.23 -0.76 -4.98 120.40 115.05 3hae s VAL 10 Ca -0.07 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 3hae s VAL 10 Cb -0.09 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.14 3hae s VAL 10 CO -0.17 -0.76 0.28 -0.94 -0.31 0.00 0.00 175.10 173.21 3hae s SER 11 N -3.02 -0.04 0.18 4.85 1.04 -1.26 -1.89 113.70 113.56 3hae s SER 11 Ca 0.13 -0.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.82 3hae s SER 11 Cb 0.03 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.60 3hae s SER 11 CO -0.01 -0.78 0.82 -0.83 0.98 0.00 0.00 173.24 173.41 3hae s GLY 12 N -2.84 -0.27 0.43 7.32 0.00 -1.12 -4.96 107.32 105.88 3hae s GLY 12 Ca 0.04 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.84 3hae s GLY 12 CO -0.11 0.04 0.76 -0.56 0.00 0.00 0.00 173.10 173.22 3hae s SER 13 N -2.85 6.39 0.70 1.64 0.01 -1.26 -0.92 113.70 117.41 3hae s SER 13 Ca 0.09 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.19 3hae s SER 13 Cb -0.03 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.95 3hae s SER 13 CO 0.00 -0.47 1.24 -2.84 0.41 0.00 0.00 173.24 171.58 3hae s PRO 14 N -4.25 2.28 0.00 12.44 0.02 -1.26 -1.16 135.00 143.07 3hae s PRO 14 Ca 0.49 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3hae s PRO 14 Cb -0.10 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3hae s PRO 14 CO 0.38 -1.76 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 3hae n GLY 15 N 0.60 1.16 0.00 0.52 0.00 0.43 -4.87 105.19 103.04 3hae n GLY 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hae n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hae n GLN 16 N -1.34 0.30 -3.71 1.61 6.02 -0.31 -3.79 117.38 116.16 3hae n GLN 16 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 3hae n GLN 16 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 3hae n GLN 16 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hae s SER 17 N -1.45 -0.39 0.04 1.08 0.15 -1.26 -0.08 113.70 111.80 3hae s SER 17 Ca 0.00 0.71 0.06 0.00 0.70 0.00 0.00 55.95 57.41 3hae s SER 17 Cb 0.00 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3hae s SER 17 CO 0.00 -0.18 -0.16 0.68 1.20 0.00 0.00 173.24 174.78 3hae s VAL 18 N 1.30 1.29 -0.05 4.45 -7.23 0.27 -4.96 120.40 115.48 3hae s VAL 18 Ca -0.09 -1.07 0.06 0.00 -1.81 0.00 0.00 61.98 59.07 3hae s VAL 18 Cb -0.09 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 3hae s VAL 18 CO -0.10 0.07 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.64 3hae s THR 19 N -0.84 2.38 -0.33 5.32 2.01 -1.26 -0.50 115.64 122.42 3hae s THR 19 Ca 0.03 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3hae s THR 19 Cb -0.08 -1.88 0.10 0.00 0.01 0.00 0.00 72.50 70.65 3hae s THR 19 CO 0.01 0.58 0.07 -0.63 -0.69 0.00 0.00 174.62 173.96 3hae s ILE 20 N -0.45 1.71 0.56 1.82 1.01 0.19 -4.96 121.20 121.07 3hae s ILE 20 Ca 0.05 -1.96 -0.20 0.00 0.00 0.00 0.00 60.65 58.55 3hae s ILE 20 Cb -0.12 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 3hae s ILE 20 CO 0.01 -0.62 1.19 -0.94 0.00 0.00 0.00 174.94 174.58 3hae s SER 21 N 1.19 5.48 -0.29 3.58 1.04 -1.26 -2.14 113.70 121.30 3hae s SER 21 Ca 0.10 2.35 -0.02 0.00 0.48 0.00 0.00 55.95 58.86 3hae s SER 21 Cb -0.18 -2.60 0.12 0.00 0.10 0.00 0.00 66.02 63.46 3hae s SER 21 CO -0.15 -1.40 0.23 0.00 0.98 0.00 0.00 173.24 172.91 3hae s THR 23 N 2.26 2.72 0.00 0.00 -1.32 -0.57 -0.83 115.64 117.91 3hae s THR 23 Ca 0.09 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 3hae s THR 23 Cb -0.15 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 3hae s THR 23 CO -0.33 0.37 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 3hae n GLY 24 N 4.68 4.52 3.30 6.08 0.00 0.01 -1.35 105.19 122.42 3hae n GLY 24 Ca -0.18 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 3hae n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hae s THR 25 N 3.68 1.40 0.53 2.61 -4.23 -1.26 -4.82 115.64 113.54 3hae s THR 25 Ca 0.00 -2.12 0.11 0.00 -1.18 0.00 0.00 61.69 58.49 3hae s THR 25 Cb 0.00 -1.96 0.11 0.00 1.34 0.00 0.00 72.50 71.99 3hae s THR 25 CO 0.00 -0.66 1.28 0.77 -0.54 0.00 0.00 174.62 175.47 3hae h SER 26 N 2.67 0.00 1.30 3.99 4.64 -1.92 0.55 113.55 124.78 3hae h SER 26 Ca -0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 3hae h SER 26 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hae h SER 26 CO 0.63 0.00 -0.11 0.03 -0.87 0.00 0.00 176.83 176.51 3hae h ARG 27 N 0.00 0.00 0.00 4.77 2.47 -1.95 -3.06 114.38 116.61 3hae h ARG 27 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hae h ARG 27 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 3hae h ARG 27 CO 0.00 0.11 0.00 -0.40 0.56 0.00 0.00 179.97 180.24 3hae n ASP 28 N -3.19 0.00 -0.27 7.04 5.68 0.19 -4.66 116.55 121.33 3hae n ASP 28 Ca 0.01 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.35 3hae n ASP 28 Cb 0.44 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.53 3hae n ASP 28 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hae n VAL 29 N 0.00 -0.32 1.31 2.12 0.31 -1.20 0.40 118.33 120.95 3hae n VAL 29 Ca 0.00 1.73 0.12 0.00 -0.01 0.00 0.00 64.34 66.18 3hae n VAL 29 Cb 0.00 -2.39 0.43 0.00 -0.91 0.00 0.00 33.84 30.97 3hae n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hae n GLY 30 N -1.48 0.24 0.14 2.92 0.00 -1.22 -3.83 105.19 101.96 3hae n GLY 30 Ca 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.70 3hae n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 31 N 1.18 1.41 3.52 -0.02 0.00 0.16 -4.83 105.19 106.61 3hae n GLY 31 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3hae n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hae s TYR 32 N -0.71 0.15 -0.56 1.61 2.02 -0.97 -4.93 117.35 113.96 3hae s TYR 32 Ca 0.05 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3hae s TYR 32 Cb 0.03 0.24 0.47 0.00 -0.40 0.00 0.00 41.96 42.30 3hae s TYR 32 CO 0.04 -0.92 1.83 0.09 -1.57 0.00 0.00 175.55 175.02 3hae n ASN 33 N -0.33 6.55 -3.02 2.29 3.02 -1.26 -4.69 115.26 117.81 3hae n ASN 33 Ca -0.06 -3.77 -0.25 0.00 -0.03 0.00 0.00 54.58 50.47 3hae n ASN 33 Cb 0.62 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 3hae n ASN 33 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hae n TYR 34 N -0.91 3.07 -3.43 3.10 4.01 -1.26 -4.08 117.16 117.66 3hae n TYR 34 Ca 0.57 -3.96 -0.38 0.00 -0.16 0.00 0.00 57.90 53.98 3hae n TYR 34 Cb 0.83 -0.47 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 3hae n TYR 34 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hae s VAL 35 N -3.87 5.03 0.02 -0.72 1.01 -1.26 -1.48 120.40 119.14 3hae s VAL 35 Ca 0.46 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.36 3hae s VAL 35 Cb 0.29 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3hae s VAL 35 CO -0.12 0.51 -0.05 -0.44 0.00 0.00 0.00 175.10 175.00 3hae s SER 36 N -0.65 0.59 -0.04 3.32 0.01 0.15 -0.67 113.70 116.41 3hae s SER 36 Ca 0.25 -0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.24 3hae s SER 36 Cb -0.17 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3hae s SER 36 CO 0.13 -0.10 -0.19 0.26 0.41 0.00 0.00 173.24 173.75 3hae s TRP 37 N -0.80 2.55 0.01 2.43 0.52 0.70 -0.26 118.94 124.10 3hae s TRP 37 Ca -0.06 -0.31 0.08 0.00 0.02 0.00 0.00 56.10 55.84 3hae s TRP 37 Cb -0.06 -1.58 -0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3hae s TRP 37 CO -0.00 0.07 -0.24 0.71 0.02 0.00 0.00 176.95 177.51 3hae s TYR 38 N -0.63 2.09 -0.18 -1.98 2.02 0.46 -1.46 117.35 117.66 3hae s TYR 38 Ca 0.10 -0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 3hae s TYR 38 Cb -0.11 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.10 3hae s TYR 38 CO 0.00 0.03 0.11 -1.14 -1.57 0.00 0.00 175.55 172.98 3hae s GLN 39 N -0.83 4.03 -0.15 -0.62 0.74 -0.07 -0.82 119.66 121.94 3hae s GLN 39 Ca 0.09 -0.25 -0.00 0.00 0.05 0.00 0.00 55.36 55.25 3hae s GLN 39 Cb -0.09 -3.33 0.04 0.00 1.10 0.00 0.00 33.01 30.73 3hae s GLN 39 CO 0.00 0.35 -0.06 -1.14 -0.55 0.00 0.00 175.29 173.89 3hae s GLN 40 N 0.20 1.52 0.54 1.67 0.74 0.33 -0.86 119.66 123.80 3hae s GLN 40 Ca 0.07 -0.46 -0.01 0.00 0.05 0.00 0.00 55.36 55.01 3hae s GLN 40 Cb -0.11 -1.92 0.02 0.00 1.10 0.00 0.00 33.01 32.10 3hae s GLN 40 CO -0.01 -0.38 0.78 -1.01 -0.55 0.00 0.00 175.29 174.12 3hae s HIS 41 N 1.64 3.03 0.14 1.67 3.76 -1.26 -0.71 115.29 123.56 3hae s HIS 41 Ca 0.02 0.19 -0.31 0.00 -0.15 0.00 0.00 55.06 54.81 3hae s HIS 41 Cb -0.14 -2.65 -0.09 0.00 1.11 0.00 0.00 32.58 30.80 3hae s HIS 41 CO -0.08 -0.75 1.56 -2.14 -0.85 0.00 0.00 174.74 172.47 3hae s PRO 42 N -4.77 4.23 0.00 8.40 0.02 -1.26 -2.74 135.00 138.87 3hae s PRO 42 Ca 0.54 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.88 3hae s PRO 42 Cb -0.10 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3hae s PRO 42 CO 0.40 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 3hae n GLY 43 N 3.76 0.72 3.78 0.52 0.00 -1.26 -4.84 105.19 107.87 3hae n GLY 43 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3hae n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae s LYS 44 N -0.31 2.68 0.66 1.61 1.02 -1.11 -5.12 119.74 119.18 3hae s LYS 44 Ca 0.00 -1.25 -0.16 0.00 0.02 0.00 0.00 55.97 54.58 3hae s LYS 44 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3hae s LYS 44 CO 0.00 0.28 1.14 0.00 -0.92 0.00 0.00 175.35 175.85 3hae s ALA 45 N -2.25 2.40 0.62 5.17 0.00 -1.26 -4.61 121.76 121.83 3hae s ALA 45 Ca 0.35 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 3hae s ALA 45 Cb -0.06 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3hae s ALA 45 CO 0.24 -1.39 1.07 -2.14 0.00 0.00 0.00 175.76 173.54 3hae s PRO 46 N -3.93 3.15 0.08 0.00 0.02 -1.26 -4.60 135.00 128.47 3hae s PRO 46 Ca 0.70 1.19 0.06 0.00 0.02 0.00 0.00 61.00 62.97 3hae s PRO 46 Cb -0.24 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 3hae s PRO 46 CO 0.41 -0.95 -0.15 -1.59 -0.33 0.00 0.00 177.00 174.39 3hae s LYS 47 N -4.25 0.89 -0.13 5.54 -2.85 -0.04 -4.95 119.74 113.95 3hae s LYS 47 Ca 0.63 -1.03 -0.25 0.00 -1.00 0.00 0.00 55.97 54.32 3hae s LYS 47 Cb -0.16 -0.90 -0.02 0.00 -2.06 0.00 0.00 37.83 34.68 3hae s LYS 47 CO 0.41 0.20 0.81 -1.17 0.10 0.00 0.00 175.35 175.69 3hae s LEU 48 N -1.90 4.23 0.00 2.77 0.20 -1.26 -0.89 118.68 121.82 3hae s LEU 48 Ca 0.01 1.22 0.00 0.00 0.69 0.00 0.00 54.13 56.05 3hae s LEU 48 Cb -0.09 -3.22 0.00 0.00 -0.43 0.00 0.00 46.19 42.45 3hae s LEU 48 CO 0.03 -0.31 0.00 2.30 -0.29 0.00 0.00 176.35 178.07 3hae n ILE 49 N 4.42 0.00 -3.69 6.68 -5.35 -0.54 -4.83 119.36 116.05 3hae n ILE 49 Ca 0.03 -0.20 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 3hae n ILE 49 Cb 0.50 0.69 -0.12 0.00 -1.74 0.00 0.00 39.64 38.97 3hae n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 50 N -1.39 -0.24 0.09 7.28 -1.09 -1.12 -4.21 121.20 120.52 3hae s ILE 50 Ca 0.00 0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.67 3hae s ILE 50 Cb 0.00 -0.53 -0.03 0.00 -1.58 0.00 0.00 42.46 40.32 3hae s ILE 50 CO 0.00 0.07 -0.23 -1.38 -1.23 0.00 0.00 174.94 172.17 3hae s HIS 51 N 1.83 2.00 -0.74 3.97 -3.43 -0.97 -0.21 115.29 117.74 3hae s HIS 51 Ca -0.06 -0.40 -0.01 0.00 -0.80 0.00 0.00 55.06 53.79 3hae s HIS 51 Cb -0.10 -1.12 0.00 0.00 -1.43 0.00 0.00 32.58 29.92 3hae s HIS 51 CO -0.11 0.21 0.62 -0.25 -2.00 0.00 0.00 174.74 173.21 3hae n ASP 52 N 1.29 -2.75 0.00 7.38 8.00 -0.10 -2.36 116.55 128.01 3hae n ASP 52 Ca -0.18 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 54.96 3hae n ASP 52 Cb 0.53 -3.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 3hae n ASP 52 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hae n VAL 53 N -3.17 0.00 0.00 2.53 0.31 0.16 -3.74 118.33 114.41 3hae n VAL 53 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3hae n VAL 53 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3hae n VAL 53 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3hae n ILE 54 N 0.00 0.00 -1.79 2.52 -5.35 -1.25 -3.51 119.36 109.98 3hae n ILE 54 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 3hae n ILE 54 Cb 0.00 -0.63 0.05 0.00 -1.74 0.00 0.00 39.64 37.32 3hae n ILE 54 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 55 N -1.68 3.07 -0.06 7.28 -1.09 -1.00 -4.60 121.20 123.13 3hae s ILE 55 Ca 0.00 0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 3hae s ILE 55 Cb 0.00 -3.07 0.03 0.00 -1.58 0.00 0.00 42.46 37.83 3hae s ILE 55 CO 0.00 -0.28 -0.01 -0.60 -1.23 0.00 0.00 174.94 172.82 3hae s ARG 56 N -3.92 0.65 1.19 2.79 3.52 -1.26 -2.29 118.95 119.63 3hae s ARG 56 Ca 0.69 0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 56.19 3hae s ARG 56 Cb -0.23 -0.91 0.28 0.00 -1.56 0.00 0.00 34.95 32.54 3hae s ARG 56 CO 0.40 -0.24 1.03 -2.14 -0.81 0.00 0.00 175.30 173.54 3hae s PRO 57 N 1.64 -1.11 0.29 5.12 0.02 -1.26 -4.88 135.00 134.83 3hae s PRO 57 Ca -0.00 0.51 -0.29 0.00 0.02 0.00 0.00 61.00 61.24 3hae s PRO 57 Cb -0.13 -1.56 -0.10 0.00 0.02 0.00 0.00 34.50 32.73 3hae s PRO 57 CO -0.04 -3.77 1.31 0.45 -0.33 0.00 0.00 177.00 174.63 3hae s SER 58 N -2.98 6.82 -0.94 2.53 0.15 -1.26 -2.75 113.70 115.26 3hae s SER 58 Ca 0.68 2.60 -0.01 0.00 0.70 0.00 0.00 55.95 59.93 3hae s SER 58 Cb -0.20 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 3hae s SER 58 CO 0.61 -0.52 0.11 0.61 1.20 0.00 0.00 173.24 175.25 3hae n GLY 59 N 1.28 -0.06 3.06 9.45 0.00 -1.26 -5.03 105.19 112.63 3hae n GLY 59 Ca 0.02 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3hae n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 60 N -2.68 1.79 0.35 1.61 1.01 -1.11 -5.11 120.40 116.26 3hae s VAL 60 Ca 0.06 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 3hae s VAL 60 Cb -0.02 -1.67 -0.13 0.00 0.00 0.00 0.00 36.38 34.56 3hae s VAL 60 CO 0.07 0.46 0.93 -2.65 0.00 0.00 0.00 175.10 173.91 3hae n PRO 61 N 4.70 1.20 0.00 2.72 -0.02 -1.26 -4.82 135.00 137.52 3hae n PRO 61 Ca -0.18 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 61.82 3hae n PRO 61 Cb 0.50 -1.84 0.46 0.00 -0.02 0.00 0.00 33.50 32.60 3hae n PRO 61 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hae n ASP 62 N 1.01 0.00 0.29 2.55 8.00 -1.26 -2.39 116.55 124.74 3hae n ASP 62 Ca 0.10 0.30 0.17 0.00 0.71 0.00 0.00 54.79 56.07 3hae n ASP 62 Cb 0.35 -0.42 0.81 0.00 -0.02 0.00 0.00 41.12 41.85 3hae n ASP 62 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3hae h ARG 63 N 0.00 0.00 -6.35 -1.24 -0.00 -1.91 -3.41 114.38 101.47 3hae h ARG 63 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 59.98 59.44 3hae h ARG 63 Cb 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.22 3hae h ARG 63 CO 0.00 0.04 0.19 -0.06 -0.00 0.00 0.00 179.97 180.14 3hae s PHE 64 N -3.90 3.76 0.09 4.08 0.08 -1.00 0.10 117.98 121.18 3hae s PHE 64 Ca -0.01 1.53 -0.26 0.00 0.12 0.00 0.00 56.93 58.31 3hae s PHE 64 Cb 0.11 -2.84 0.08 0.00 -0.57 0.00 0.00 43.02 39.80 3hae s PHE 64 CO 0.53 0.29 0.73 -1.54 -0.10 0.00 0.00 175.22 175.12 3hae s SER 65 N -0.14 -0.48 0.06 1.36 1.04 -0.55 -4.97 113.70 110.02 3hae s SER 65 Ca 0.39 -0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.74 3hae s SER 65 Cb -0.21 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 3hae s SER 65 CO 0.24 -0.81 0.17 -0.83 0.98 0.00 0.00 173.24 172.99 3hae s GLY 66 N -2.63 0.09 0.29 7.32 0.00 -1.26 -0.71 107.32 110.42 3hae s GLY 66 Ca 0.03 -0.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 3hae s GLY 66 CO -0.11 -0.66 0.46 -1.35 0.00 0.00 0.00 173.10 171.44 3hae s SER 67 N -2.45 0.40 0.04 1.64 1.04 -0.91 -4.19 113.70 109.26 3hae s SER 67 Ca -0.00 -1.24 -0.01 0.00 0.48 0.00 0.00 55.95 55.18 3hae s SER 67 Cb 0.02 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 3hae s SER 67 CO -0.07 -1.22 -0.02 -1.59 0.98 0.00 0.00 173.24 171.32 3hae s LYS 68 N -3.49 0.54 -0.17 4.02 -2.85 -1.26 0.07 119.74 116.60 3hae s LYS 68 Ca 0.27 -1.04 -0.14 0.00 -1.00 0.00 0.00 55.97 54.06 3hae s LYS 68 Cb -0.00 0.19 0.05 0.00 -2.06 0.00 0.00 37.83 36.01 3hae s LYS 68 CO 0.15 -0.10 0.44 -1.54 0.10 0.00 0.00 175.35 174.39 3hae s SER 69 N -2.52 -0.47 1.58 0.03 1.04 0.47 -4.96 113.70 108.87 3hae s SER 69 Ca 0.01 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.33 3hae s SER 69 Cb 0.03 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.03 3hae s SER 69 CO -0.08 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3hae n GLY 70 N 3.14 3.05 1.84 7.32 0.00 -1.26 -2.69 105.19 116.59 3hae n GLY 70 Ca -0.15 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 3hae n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hae n ASN 71 N 4.08 3.82 -3.90 1.61 5.03 -1.26 -3.79 115.26 120.85 3hae n ASN 71 Ca 0.00 -3.49 -0.27 0.00 0.87 0.00 0.00 54.58 51.69 3hae n ASN 71 Cb 0.00 -0.75 -0.17 0.00 -1.02 0.00 0.00 39.78 37.84 3hae n ASN 71 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hae s THR 72 N -3.17 1.00 0.15 3.41 2.01 -1.09 -0.81 115.64 117.14 3hae s THR 72 Ca 0.53 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3hae s THR 72 Cb 0.44 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 3hae s THR 72 CO 0.09 0.36 0.13 0.00 -0.69 0.00 0.00 174.62 174.52 3hae s ALA 73 N 1.71 3.59 -0.07 7.40 0.00 -0.01 -0.39 121.76 133.99 3hae s ALA 73 Ca 0.05 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 3hae s ALA 73 Cb -0.13 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.63 3hae s ALA 73 CO -0.08 0.55 0.17 0.45 0.00 0.00 0.00 175.76 176.85 3hae s SER 74 N -2.99 -0.16 -0.15 0.00 0.15 0.11 -0.21 113.70 110.44 3hae s SER 74 Ca 0.31 0.36 -0.07 0.00 0.70 0.00 0.00 55.95 57.25 3hae s SER 74 Cb -0.10 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 3hae s SER 74 CO 0.23 -0.12 0.09 -0.22 1.20 0.00 0.00 173.24 174.42 3hae s LEU 75 N 0.85 4.03 -0.18 3.45 2.96 -0.91 -2.13 118.68 126.75 3hae s LEU 75 Ca -0.06 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 3hae s LEU 75 Cb -0.08 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3hae s LEU 75 CO -0.05 0.28 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.18 3hae s THR 76 N -0.27 1.99 -0.35 3.68 2.01 0.11 0.53 115.64 123.34 3hae s THR 76 Ca 0.09 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.07 3hae s THR 76 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3hae s THR 76 CO 0.01 0.53 0.24 -0.63 -0.69 0.00 0.00 174.62 174.08 3hae s ILE 77 N 1.31 5.16 -0.06 1.82 1.01 0.34 -1.48 121.20 129.30 3hae s ILE 77 Ca 0.05 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3hae s ILE 77 Cb -0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3hae s ILE 77 CO -0.13 -0.06 -0.11 -0.94 0.00 0.00 0.00 174.94 173.71 3hae s SER 78 N 1.69 4.28 -0.98 3.58 1.04 0.12 -0.56 113.70 122.87 3hae s SER 78 Ca 0.06 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 3hae s SER 78 Cb -0.18 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 64.95 3hae s SER 78 CO 0.10 0.35 0.82 0.61 0.98 0.00 0.00 173.24 176.10 3hae n GLY 79 N 2.29 -0.21 3.55 7.32 0.00 0.89 -4.48 105.19 114.55 3hae n GLY 79 Ca -0.17 -0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 3hae n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hae n LEU 80 N -3.59 1.17 0.00 0.99 7.94 0.55 -4.39 117.00 119.67 3hae n LEU 80 Ca -0.21 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3hae n LEU 80 Cb 0.63 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.37 3hae n LEU 80 CO 0.50 -1.68 0.00 0.00 -1.11 0.00 0.00 177.39 175.10 3hae n GLN 81 N 0.97 2.61 -0.06 1.96 6.02 -1.26 -0.43 117.38 127.20 3hae n GLN 81 Ca 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.06 3hae n GLN 81 Cb 0.29 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.51 3hae n GLN 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hae h ALA 82 N 1.00 0.02 -0.73 -1.58 0.00 -1.99 -3.33 119.26 112.64 3hae h ALA 82 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 3hae h ALA 82 Cb 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 17.79 17.72 3hae h ALA 82 CO 0.00 0.13 0.42 -0.85 0.00 0.00 0.00 179.25 178.94 3hae n GLU 83 N -4.69 2.45 -0.19 0.00 0.00 -1.26 -3.53 120.64 113.41 3hae n GLU 83 Ca -0.05 -2.44 0.05 0.00 0.00 0.00 0.00 57.16 54.72 3hae n GLU 83 Cb 0.19 -1.98 0.14 0.00 0.00 0.00 0.00 31.44 29.79 3hae n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hae n ASP 84 N -0.54 1.86 -4.54 -1.84 8.00 -1.25 -4.75 116.55 113.48 3hae n ASP 84 Ca 0.43 -2.06 -0.41 0.00 0.71 0.00 0.00 54.79 53.46 3hae n ASP 84 Cb 1.35 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 42.16 3hae n ASP 84 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hae s GLU 85 N -1.61 3.48 0.13 -1.24 2.02 -1.23 -4.79 118.70 115.45 3hae s GLU 85 Ca 0.21 -0.96 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 3hae s GLU 85 Cb 0.12 -5.00 0.00 0.00 0.10 0.00 0.00 34.13 29.35 3hae s GLU 85 CO 0.13 -2.14 0.17 0.00 0.02 0.00 0.00 175.26 173.44 3hae n ALA 86 N 8.75 -0.09 -2.68 5.21 0.00 -1.23 -4.86 120.51 125.62 3hae n ALA 86 Ca 0.24 -0.59 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 3hae n ALA 86 Cb 0.50 0.48 -0.06 0.00 0.00 0.00 0.00 19.45 20.36 3hae n ALA 86 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hae s HIS 87 N -4.11 3.55 -0.13 0.00 3.76 0.11 -0.73 115.29 117.74 3hae s HIS 87 Ca 0.11 0.76 -0.00 0.00 -0.15 0.00 0.00 55.06 55.77 3hae s HIS 87 Cb -0.00 -2.34 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 3hae s HIS 87 CO 0.08 0.37 -0.14 0.71 -0.85 0.00 0.00 174.74 174.91 3hae s TYR 88 N -0.02 2.80 -0.04 1.40 2.02 0.36 0.12 117.35 124.00 3hae s TYR 88 Ca 0.20 -0.72 0.07 0.00 -0.37 0.00 0.00 57.07 56.25 3hae s TYR 88 Cb -0.14 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 3hae s TYR 88 CO 0.08 -0.26 -0.25 0.71 -1.57 0.00 0.00 175.55 174.25 3hae s TYR 89 N 0.44 2.40 0.58 2.71 2.02 0.00 -1.90 117.35 123.60 3hae s TYR 89 Ca -0.10 -0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 56.00 3hae s TYR 89 Cb -0.16 -1.56 0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3hae s TYR 89 CO 0.05 -0.14 0.82 0.00 -1.57 0.00 0.00 175.55 174.71 3hae s TRP 91 N -2.86 -0.62 -0.11 0.00 -0.00 0.65 -0.22 118.94 115.77 3hae s TRP 91 Ca 0.58 1.04 -0.24 0.00 -0.00 0.00 0.00 56.10 57.49 3hae s TRP 91 Cb -0.10 0.39 0.06 0.00 -0.00 0.00 0.00 33.47 33.82 3hae s TRP 91 CO 0.40 -0.60 0.58 0.45 -0.00 0.00 0.00 176.95 177.78 3hae s SER 92 N -1.24 -0.56 0.21 5.86 0.15 -0.40 -0.68 113.70 117.04 3hae s SER 92 Ca -0.11 0.80 -0.30 0.00 0.70 0.00 0.00 55.95 57.05 3hae s SER 92 Cb -0.00 0.78 -0.08 0.00 -1.71 0.00 0.00 66.02 65.00 3hae s SER 92 CO 0.09 -0.42 1.04 0.12 1.20 0.00 0.00 173.24 175.27 3hae s PHE 93 N -0.60 3.73 -0.39 3.44 5.36 -0.55 -2.08 117.98 126.89 3hae s PHE 93 Ca -0.07 1.74 0.03 0.00 -0.96 0.00 0.00 56.93 57.68 3hae s PHE 93 Cb -0.03 -3.16 0.04 0.00 -0.34 0.00 0.00 43.02 39.53 3hae s PHE 93 CO 0.05 -0.18 0.69 0.00 -1.46 0.00 0.00 175.22 174.32 3hae n ALA 94 N 1.85 2.42 0.00 11.12 0.00 0.12 -4.56 120.51 131.45 3hae n ALA 94 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3hae n ALA 94 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3hae n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hae n GLY 95 N 0.12 3.04 0.07 0.00 0.00 -1.26 -4.61 105.19 102.55 3hae n GLY 95 Ca 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.24 3hae n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hae n SER 96 N 1.21 0.80 -3.78 1.61 3.41 -1.26 -5.05 113.62 110.56 3hae n SER 96 Ca 0.00 -0.90 -0.09 0.00 -0.26 0.00 0.00 58.87 57.62 3hae n SER 96 Cb 0.00 0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3hae n SER 96 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3hae s TYR 97 N -0.63 -0.05 0.24 7.33 -0.85 -1.26 -5.17 117.35 116.95 3hae s TYR 97 Ca 0.02 -0.30 0.07 0.00 -0.52 0.00 0.00 57.07 56.34 3hae s TYR 97 Cb 0.02 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3hae s TYR 97 CO 0.06 -0.93 0.18 0.71 -1.52 0.00 0.00 175.55 174.05 3hae s TYR 98 N -3.89 3.11 -0.12 -3.49 2.02 -1.26 0.13 117.35 113.84 3hae s TYR 98 Ca 0.11 -0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 3hae s TYR 98 Cb -0.01 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.17 3hae s TYR 98 CO -0.01 0.52 0.32 0.54 -1.57 0.00 0.00 175.55 175.35 3hae s VAL 99 N -2.08 0.00 0.36 0.71 0.11 -0.88 -4.92 120.40 113.69 3hae s VAL 99 Ca 0.32 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.27 3hae s VAL 99 Cb -0.08 -0.46 -0.06 0.00 -1.53 0.00 0.00 36.38 34.25 3hae s VAL 99 CO 0.25 -0.01 0.68 -0.36 -3.33 0.00 0.00 175.10 172.32 3hae s PHE 100 N 0.10 3.47 0.85 1.54 0.08 -1.26 -1.28 117.98 121.48 3hae s PHE 100 Ca -0.01 0.87 -0.12 0.00 0.12 0.00 0.00 56.93 57.79 3hae s PHE 100 Cb -0.02 -2.30 0.12 0.00 -0.57 0.00 0.00 43.02 40.25 3hae s PHE 100 CO 0.01 0.01 1.20 0.20 -0.10 0.00 0.00 175.22 176.54 3hae s GLY 101 N -3.16 1.69 0.02 4.36 0.00 0.69 -3.54 107.32 107.38 3hae s GLY 101 Ca 0.48 -0.96 0.20 0.00 0.00 0.00 0.00 44.72 44.44 3hae s GLY 101 CO 0.31 -0.37 1.63 -1.30 0.00 0.00 0.00 173.10 173.37 3hae n THR 102 N -3.40 0.67 0.00 0.90 -2.24 -0.92 -4.67 114.28 104.61 3hae n THR 102 Ca 0.11 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 3hae n THR 102 Cb 0.60 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 3hae n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hae n GLY 103 N 0.51 0.83 3.41 3.38 0.00 -1.26 -4.96 105.19 107.09 3hae n GLY 103 Ca 0.05 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 3hae n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hae s THR 104 N -2.88 -0.55 -0.27 2.61 2.01 -0.80 -4.45 115.64 111.32 3hae s THR 104 Ca 0.00 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 3hae s THR 104 Cb 0.00 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3hae s THR 104 CO 0.00 0.04 1.64 -0.62 -0.69 0.00 0.00 174.62 174.99 3hae s ASP 105 N 2.35 6.25 -0.32 3.53 2.15 -1.06 -0.48 116.67 129.08 3hae s ASP 105 Ca -0.05 1.46 -0.16 0.00 0.43 0.00 0.00 52.55 54.23 3hae s ASP 105 Cb -0.11 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3hae s ASP 105 CO -0.15 -1.39 0.39 -0.69 -0.17 0.00 0.00 175.17 173.16 3hae s VAL 106 N 5.66 5.14 -0.10 1.11 1.01 0.09 -1.84 120.40 131.47 3hae s VAL 106 Ca 0.73 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 3hae s VAL 106 Cb -0.23 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3hae s VAL 106 CO 0.31 -0.02 0.11 -0.89 0.00 0.00 0.00 175.10 174.60 3hae s THR 107 N 2.10 5.22 -0.37 3.92 2.01 -0.79 -3.47 115.64 124.26 3hae s THR 107 Ca 0.14 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.14 3hae s THR 107 Cb -0.16 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.13 3hae s THR 107 CO 0.11 0.60 0.17 -0.69 -0.69 0.00 0.00 174.62 174.13 3hae s VAL 108 N -1.01 4.08 1.23 3.82 1.01 -1.26 -2.79 120.40 125.47 3hae s VAL 108 Ca 0.15 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 3hae s VAL 108 Cb -0.12 -3.37 0.31 0.00 0.00 0.00 0.00 36.38 33.20 3hae s VAL 108 CO 0.04 -0.30 1.02 0.18 0.00 0.00 0.00 175.10 176.04 3hae n LEU 109 N 4.88 0.00 0.00 3.92 4.77 -0.10 -4.55 117.00 125.92 3hae n LEU 109 Ca -0.11 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 3hae n LEU 109 Cb 0.44 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3hae n LEU 109 CO 0.35 -2.24 0.00 0.61 -1.33 0.00 0.00 177.39 174.78 3hae n GLY 110 N -4.70 0.97 0.00 -0.72 0.00 -1.26 -4.40 105.19 95.08 3hae n GLY 110 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3hae n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLN 111 N 0.00 0.00 -2.21 1.61 10.64 -1.26 -4.86 117.38 121.29 3hae n GLN 111 Ca 0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 3hae n GLN 111 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 3hae n GLN 111 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3hae s PRO 112 N 0.00 4.37 0.39 2.61 0.04 -1.26 -4.98 135.00 136.17 3hae s PRO 112 Ca 0.00 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 3hae s PRO 112 Cb 0.00 -3.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.38 3hae s PRO 112 CO 0.00 -0.13 0.98 1.17 0.04 0.00 0.00 177.00 179.07 3hae n LYS 113 N 0.78 1.32 -4.45 4.56 4.81 -1.26 -4.83 118.16 119.08 3hae n LYS 113 Ca 0.00 0.47 -0.23 0.00 -0.87 0.00 0.00 58.31 57.68 3hae n LYS 113 Cb 0.43 -1.97 -0.16 0.00 0.02 0.00 0.00 35.03 33.35 3hae n LYS 113 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hae s ALA 114 N -1.24 1.06 0.24 3.14 0.00 -0.34 -4.96 121.76 119.66 3hae s ALA 114 Ca 0.62 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 3hae s ALA 114 Cb -0.59 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 21.94 3hae s ALA 114 CO 0.58 0.08 0.79 -0.80 0.00 0.00 0.00 175.76 176.41 3hae s ASN 115 N 0.71 7.19 0.16 0.00 0.01 -1.26 -1.65 114.94 120.09 3hae s ASN 115 Ca -0.13 1.56 -0.34 0.00 -0.71 0.00 0.00 52.86 53.24 3hae s ASN 115 Cb -0.15 -2.47 -0.14 0.00 0.41 0.00 0.00 41.25 38.89 3hae s ASN 115 CO 0.03 0.04 1.54 -2.65 -1.51 0.00 0.00 177.10 174.55 3hae n PRO 116 N 0.83 2.04 -3.73 -0.60 -0.02 -1.26 -4.45 135.00 127.81 3hae n PRO 116 Ca -0.02 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 3hae n PRO 116 Cb 0.50 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 3hae n PRO 116 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hae s THR 117 N 0.80 5.39 -0.10 3.45 -4.23 -0.50 -4.92 115.64 115.53 3hae s THR 117 Ca 0.79 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3hae s THR 117 Cb -0.71 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 69.65 3hae s THR 117 CO 0.39 0.43 -0.14 -0.69 -0.54 0.00 0.00 174.62 174.07 3hae s VAL 118 N 0.45 2.98 -0.01 2.29 1.01 -1.26 -0.66 120.40 125.19 3hae s VAL 118 Ca 0.08 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hae s VAL 118 Cb -0.11 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3hae s VAL 118 CO -0.01 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.54 3hae s THR 119 N 0.05 1.60 -0.07 3.92 2.01 -0.19 -4.94 115.64 118.02 3hae s THR 119 Ca -0.05 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 3hae s THR 119 Cb -0.15 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.06 3hae s THR 119 CO 0.04 0.43 0.02 -0.22 -0.69 0.00 0.00 174.62 174.21 3hae s LEU 120 N -0.52 0.45 -0.05 4.42 2.96 -1.26 0.15 118.68 124.83 3hae s LEU 120 Ca 0.08 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3hae s LEU 120 Cb -0.08 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 3hae s LEU 120 CO -0.01 -0.22 0.01 -0.36 -1.32 0.00 0.00 176.35 174.46 3hae s PHE 121 N 2.04 3.16 0.64 5.38 0.08 0.64 -4.95 117.98 124.97 3hae s PHE 121 Ca 0.05 0.17 -0.09 0.00 0.12 0.00 0.00 56.93 57.17 3hae s PHE 121 Cb -0.12 -1.75 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 3hae s PHE 121 CO -0.05 0.48 1.01 -1.25 -0.10 0.00 0.00 175.22 175.32 3hae s PRO 122 N -1.20 3.07 0.17 0.24 0.04 -1.26 -2.24 135.00 133.83 3hae s PRO 122 Ca 0.16 0.38 -0.32 0.00 0.04 0.00 0.00 61.00 61.27 3hae s PRO 122 Cb -0.11 -2.12 -0.17 0.00 0.04 0.00 0.00 34.50 32.14 3hae s PRO 122 CO 0.06 -0.79 0.91 -2.30 0.04 0.00 0.00 177.00 174.92 3hae n PRO 123 N -2.79 0.60 -1.71 0.56 -0.02 -1.24 -4.87 135.00 125.53 3hae n PRO 123 Ca 0.06 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.37 3hae n PRO 123 Cb 0.56 -1.52 0.05 0.00 -0.02 0.00 0.00 33.50 32.57 3hae n PRO 123 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hae n SER 124 N 1.80 2.06 0.11 2.55 2.88 -1.26 -4.93 113.62 116.82 3hae n SER 124 Ca 0.16 0.89 -0.07 0.00 -1.33 0.00 0.00 58.87 58.52 3hae n SER 124 Cb 0.23 -1.53 -0.04 0.00 -0.75 0.00 0.00 64.21 62.12 3hae n SER 124 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hae h SER 125 N 0.92 -0.57 -1.27 -3.46 0.02 -2.01 -2.19 113.55 105.00 3hae h SER 125 Ca -0.50 0.05 0.37 0.00 -0.84 0.00 0.00 61.79 60.87 3hae h SER 125 Cb 1.33 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.97 3hae h SER 125 CO 0.54 -0.26 0.86 -0.08 -1.14 0.00 0.00 176.83 176.75 3hae h GLU 126 N -0.39 0.14 -0.01 3.45 4.81 -2.01 0.22 114.58 120.80 3hae h GLU 126 Ca -0.02 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 3hae h GLU 126 Cb 0.34 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3hae h GLU 126 CO -0.04 0.09 -0.85 1.49 -0.73 0.00 0.00 179.01 178.98 3hae h GLU 127 N 0.15 0.27 -0.53 1.92 4.81 -1.83 -3.23 114.58 116.13 3hae h GLU 127 Ca 0.69 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.58 3hae h GLU 127 Cb 2.29 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.73 3hae h GLU 127 CO -0.22 0.97 0.05 -0.07 -0.73 0.00 0.00 179.01 179.01 3hae h LEU 128 N 0.16 0.88 -2.18 1.64 3.38 0.07 -2.74 115.31 116.52 3hae h LEU 128 Ca -0.05 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3hae h LEU 128 Cb 1.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3hae h LEU 128 CO 0.14 0.94 0.20 1.56 0.09 0.00 0.00 178.44 181.37 3hae h GLN 129 N 0.79 0.00 -0.14 1.13 4.20 -1.51 0.54 115.11 120.12 3hae h GLN 129 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3hae h GLN 129 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3hae h GLN 129 CO 0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 3hae n ALA 130 N -2.40 2.53 -1.79 3.87 0.00 -1.05 -4.95 120.51 116.73 3hae n ALA 130 Ca 0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.86 3hae n ALA 130 Cb 0.33 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 3hae n ALA 130 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hae n ASN 131 N 0.02 -5.50 -4.88 0.00 2.85 0.19 -5.02 115.26 102.93 3hae n ASN 131 Ca 0.14 0.38 -0.21 0.00 -0.11 0.00 0.00 54.58 54.78 3hae n ASN 131 Cb 0.23 -4.79 -0.03 0.00 1.24 0.00 0.00 39.78 36.43 3hae n ASN 131 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3hae s LYS 132 N -4.05 2.66 -0.26 1.20 -0.14 -1.13 -4.46 119.74 113.55 3hae s LYS 132 Ca 0.00 -1.39 -0.10 0.00 -1.36 0.00 0.00 55.97 53.11 3hae s LYS 132 Cb 0.00 -2.46 0.10 0.00 -1.68 0.00 0.00 37.83 33.79 3hae s LYS 132 CO 0.00 -0.06 0.58 0.00 -0.76 0.00 0.00 175.35 175.11 3hae s ALA 133 N -2.38 -1.71 -0.13 5.17 0.00 -0.97 -3.67 121.76 118.08 3hae s ALA 133 Ca 0.45 2.08 0.02 0.00 0.00 0.00 0.00 51.96 54.51 3hae s ALA 133 Cb -0.05 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3hae s ALA 133 CO 0.28 -0.72 -0.17 0.99 0.00 0.00 0.00 175.76 176.13 3hae s THR 134 N 2.45 1.70 -0.12 0.00 2.01 -1.26 -0.41 115.64 120.01 3hae s THR 134 Ca -0.06 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 3hae s THR 134 Cb -0.10 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 3hae s THR 134 CO -0.17 0.48 0.31 -0.76 -0.69 0.00 0.00 174.62 173.79 3hae s LEU 135 N 1.01 4.31 -0.24 4.42 1.02 0.62 -3.60 118.68 126.21 3hae s LEU 135 Ca -0.05 0.62 -0.05 0.00 0.02 0.00 0.00 54.13 54.67 3hae s LEU 135 Cb -0.15 -2.40 -0.01 0.00 0.02 0.00 0.00 46.19 43.65 3hae s LEU 135 CO -0.03 0.18 0.01 -0.69 0.02 0.00 0.00 176.35 175.83 3hae s VAL 136 N -0.02 3.72 -0.27 -1.59 1.01 -0.95 -0.62 120.40 121.67 3hae s VAL 136 Ca 0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3hae s VAL 136 Cb -0.14 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3hae s VAL 136 CO 0.06 0.35 0.02 0.00 0.00 0.00 0.00 175.10 175.54 3hae s LEU 138 N 1.44 3.99 -0.18 0.00 1.43 0.41 -0.94 118.68 124.82 3hae s LEU 138 Ca 0.02 -1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 51.96 3hae s LEU 138 Cb -0.17 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 3hae s LEU 138 CO -0.00 -0.26 0.13 -0.63 0.23 0.00 0.00 176.35 175.81 3hae s ILE 139 N 1.37 5.39 0.04 -0.59 1.01 -0.47 -1.02 121.20 126.93 3hae s ILE 139 Ca -0.02 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.72 3hae s ILE 139 Cb -0.19 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3hae s ILE 139 CO 0.01 0.48 0.19 -0.94 0.00 0.00 0.00 174.94 174.68 3hae s SER 140 N 0.03 0.05 -1.46 3.58 1.04 0.16 -1.73 113.70 115.37 3hae s SER 140 Ca 0.09 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 56.08 3hae s SER 140 Cb -0.11 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3hae s SER 140 CO -0.00 -0.57 0.67 0.47 0.98 0.00 0.00 173.24 174.79 3hae n ASP 141 N 0.64 -6.00 -4.83 7.02 9.92 0.71 -1.41 116.55 122.60 3hae n ASP 141 Ca -0.19 -0.31 -0.22 0.00 -0.53 0.00 0.00 54.79 53.54 3hae n ASP 141 Cb 0.59 -4.78 -0.04 0.00 -0.64 0.00 0.00 41.12 36.25 3hae n ASP 141 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3hae s PHE 142 N -3.18 3.01 -0.29 1.24 -0.71 -1.14 -4.39 117.98 112.53 3hae s PHE 142 Ca 0.33 -0.19 -0.23 0.00 -1.04 0.00 0.00 56.93 55.81 3hae s PHE 142 Cb -0.15 -1.54 0.15 0.00 -1.21 0.00 0.00 43.02 40.27 3hae s PHE 142 CO 0.41 0.40 1.16 -0.47 -1.34 0.00 0.00 175.22 175.38 3hae s TYR 143 N -2.21 -0.34 0.94 3.49 5.04 -0.66 0.24 117.35 123.85 3hae s TYR 143 Ca 0.36 0.79 -0.10 0.00 -2.44 0.00 0.00 57.07 55.67 3hae s TYR 143 Cb -0.07 0.37 0.16 0.00 0.35 0.00 0.00 41.96 42.77 3hae s TYR 143 CO 0.25 -0.17 1.14 -1.25 -1.34 0.00 0.00 175.55 174.18 3hae s PRO 144 N 0.43 0.79 -1.12 4.97 0.04 -1.26 -1.20 135.00 137.65 3hae s PRO 144 Ca 0.01 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 3hae s PRO 144 Cb -0.05 -1.71 0.08 0.00 0.04 0.00 0.00 34.50 32.87 3hae s PRO 144 CO -0.11 -2.77 1.49 0.20 0.04 0.00 0.00 177.00 175.85 3hae s GLY 145 N -2.63 1.63 -0.02 0.56 0.00 -1.26 -4.88 107.32 100.72 3hae s GLY 145 Ca 0.67 -2.68 -0.09 0.00 0.00 0.00 0.00 44.72 42.62 3hae s GLY 145 CO 0.59 2.51 0.19 0.00 0.00 0.00 0.00 173.10 176.39 3hae s ALA 146 N 3.96 -0.45 -0.29 3.20 0.00 -1.26 -4.88 121.76 122.04 3hae s ALA 146 Ca 0.46 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 3hae s ALA 146 Cb 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.24 3hae s ALA 146 CO -0.03 -0.19 0.94 0.14 0.00 0.00 0.00 175.76 176.62 3hae s VAL 147 N -0.98 0.00 -0.34 0.00 -7.23 -1.26 -4.64 120.40 105.95 3hae s VAL 147 Ca -0.11 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.96 3hae s VAL 147 Cb -0.06 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.89 3hae s VAL 147 CO 0.02 0.00 0.18 -0.89 -0.31 0.00 0.00 175.10 174.10 3hae s THR 148 N 1.29 4.64 0.22 5.32 2.01 -0.92 -4.94 115.64 123.27 3hae s THR 148 Ca -0.08 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.17 3hae s THR 148 Cb -0.04 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 3hae s THR 148 CO -0.15 -0.07 0.65 -0.69 -0.69 0.00 0.00 174.62 173.67 3hae s VAL 149 N 1.60 4.73 -0.08 3.82 1.01 -1.26 -1.66 120.40 128.56 3hae s VAL 149 Ca 0.04 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 62.93 3hae s VAL 149 Cb -0.18 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hae s VAL 149 CO 0.07 0.10 0.19 0.00 0.00 0.00 0.00 175.10 175.45 3hae s ALA 150 N -1.64 -0.40 0.35 5.51 0.00 -0.20 -4.99 121.76 120.39 3hae s ALA 150 Ca 0.44 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.28 3hae s ALA 150 Cb -0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 3hae s ALA 150 CO 0.20 -0.17 0.49 -1.58 0.00 0.00 0.00 175.76 174.70 3hae s TRP 151 N 1.17 3.09 -0.08 0.00 0.52 -1.26 0.27 118.94 122.64 3hae s TRP 151 Ca -0.09 -0.21 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 3hae s TRP 151 Cb -0.11 -2.06 0.02 0.00 -1.15 0.00 0.00 33.47 30.18 3hae s TRP 151 CO -0.07 -0.08 0.27 0.15 0.02 0.00 0.00 176.95 177.25 3hae s LYS 152 N -4.22 0.40 -0.15 4.98 -0.14 -0.39 -2.86 119.74 117.37 3hae s LYS 152 Ca 0.46 0.22 0.02 0.00 -1.36 0.00 0.00 55.97 55.31 3hae s LYS 152 Cb -0.10 0.19 0.01 0.00 -1.68 0.00 0.00 37.83 36.25 3hae s LYS 152 CO 0.32 -0.07 -0.21 0.00 -0.76 0.00 0.00 175.35 174.63 3hae s ALA 153 N -0.25 2.29 0.00 5.17 0.00 0.61 -1.04 121.76 128.53 3hae s ALA 153 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3hae s ALA 153 Cb -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3hae s ALA 153 CO 0.01 -0.12 0.00 -0.25 0.00 0.00 0.00 175.76 175.40 3hae n ASP 154 N 4.22 0.00 -0.18 0.00 8.00 -0.54 0.13 116.55 128.18 3hae n ASP 154 Ca -0.20 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.21 3hae n ASP 154 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 3hae n ASP 154 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3hae h GLY 155 N 0.00 0.88 -4.58 0.44 0.00 -1.95 -3.47 103.07 94.38 3hae h GLY 155 Ca 0.00 -0.53 -0.55 0.00 0.00 0.00 0.00 47.33 46.25 3hae h GLY 155 CO 0.00 0.50 0.16 -0.56 0.00 0.00 0.00 176.54 176.64 3hae s SER 156 N -6.13 7.20 0.26 0.19 0.01 0.35 -4.96 113.70 110.62 3hae s SER 156 Ca -0.13 1.43 -0.30 0.00 1.31 0.00 0.00 55.95 58.26 3hae s SER 156 Cb 0.12 -2.47 -0.13 0.00 0.21 0.00 0.00 66.02 63.75 3hae s SER 156 CO 0.79 -0.00 1.32 -0.81 0.41 0.00 0.00 173.24 174.95 3hae n PRO 157 N 2.90 1.89 -4.29 12.44 -0.04 -1.26 -0.28 135.00 146.36 3hae n PRO 157 Ca -0.02 0.67 -0.33 0.00 -0.04 0.00 0.00 63.50 63.78 3hae n PRO 157 Cb 0.50 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.54 3hae n PRO 157 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hae s VAL 158 N -0.38 2.35 -1.55 0.52 0.11 -1.13 -4.82 120.40 115.50 3hae s VAL 158 Ca 0.65 -0.86 0.23 0.00 -2.93 0.00 0.00 61.98 59.07 3hae s VAL 158 Cb -0.66 -1.99 -0.05 0.00 -1.53 0.00 0.00 36.38 32.15 3hae s VAL 158 CO 0.53 0.52 1.11 0.29 -3.33 0.00 0.00 175.10 174.22 3hae n LYS 159 N 4.41 0.63 -3.29 1.54 5.02 -1.26 -4.34 118.16 120.88 3hae n LYS 159 Ca -0.20 -0.50 -0.39 0.00 -2.02 0.00 0.00 58.31 55.20 3hae n LYS 159 Cb 0.51 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 3hae n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hae s ALA 160 N -2.71 3.54 -0.57 7.82 0.00 -1.26 -4.18 121.76 124.41 3hae s ALA 160 Ca 0.15 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 3hae s ALA 160 Cb 0.17 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3hae s ALA 160 CO 0.68 -0.38 0.01 0.41 0.00 0.00 0.00 175.76 176.48 3hae n GLY 161 N 3.86 0.10 3.58 0.00 0.00 -1.26 -4.72 105.19 106.75 3hae n GLY 161 Ca -0.06 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 3hae n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 162 N -2.35 5.19 -0.28 1.61 1.01 -1.26 -1.66 120.40 122.66 3hae s VAL 162 Ca 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 3hae s VAL 162 Cb -0.00 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.67 3hae s VAL 162 CO 0.00 0.09 0.05 -1.61 0.00 0.00 0.00 175.10 173.63 3hae s GLU 163 N 2.02 3.06 -0.07 2.72 0.41 0.99 -4.94 118.70 122.89 3hae s GLU 163 Ca 0.13 -0.87 0.03 0.00 -0.41 0.00 0.00 54.97 53.85 3hae s GLU 163 Cb -0.16 -3.29 -0.02 0.00 -1.78 0.00 0.00 34.13 28.88 3hae s GLU 163 CO 0.11 -0.42 -0.16 0.99 -0.49 0.00 0.00 175.26 175.29 3hae s THR 164 N 1.47 2.90 0.82 3.63 2.01 -1.26 0.17 115.64 125.37 3hae s THR 164 Ca 0.02 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.14 3hae s THR 164 Cb -0.17 -2.15 0.08 0.00 0.01 0.00 0.00 72.50 70.28 3hae s THR 164 CO 0.01 0.57 1.14 0.42 -0.69 0.00 0.00 174.62 176.07 3hae s THR 165 N -0.36 2.47 0.49 -0.82 -4.23 -0.22 -5.01 115.64 107.97 3hae s THR 165 Ca 0.03 0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 60.52 3hae s THR 165 Cb -0.12 -3.03 -0.09 0.00 1.34 0.00 0.00 72.50 70.60 3hae s THR 165 CO 0.02 -0.20 0.98 -1.59 -0.54 0.00 0.00 174.62 173.29 3hae s LYS 166 N -5.37 4.02 0.59 3.99 -2.85 -1.26 -4.76 119.74 114.11 3hae s LYS 166 Ca 0.62 1.01 -0.20 0.00 -1.00 0.00 0.00 55.97 56.40 3hae s LYS 166 Cb -0.13 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.46 3hae s LYS 166 CO 0.52 -0.21 1.34 -2.14 0.10 0.00 0.00 175.35 174.96 3hae s PRO 167 N -3.80 2.85 -0.12 1.78 0.02 -1.26 -4.74 135.00 129.73 3hae s PRO 167 Ca 0.60 2.18 -0.09 0.00 0.02 0.00 0.00 61.00 63.71 3hae s PRO 167 Cb -0.10 -2.07 0.04 0.00 0.02 0.00 0.00 34.50 32.39 3hae s PRO 167 CO 0.26 -1.40 0.30 -1.54 -0.33 0.00 0.00 177.00 174.29 3hae s SER 168 N -1.13 -0.33 -0.02 2.53 1.04 -0.44 -4.96 113.70 110.39 3hae s SER 168 Ca 0.77 0.63 -0.36 0.00 0.48 0.00 0.00 55.95 57.47 3hae s SER 168 Cb -0.40 0.59 -0.14 0.00 0.10 0.00 0.00 66.02 66.17 3hae s SER 168 CO 0.45 -0.13 1.66 1.17 0.98 0.00 0.00 173.24 177.37 3hae n LYS 169 N 3.44 1.78 -2.31 4.02 4.81 -1.26 -2.66 118.16 125.98 3hae n LYS 169 Ca -0.17 0.65 -0.25 0.00 -0.87 0.00 0.00 58.31 57.67 3hae n LYS 169 Cb 0.56 -2.40 0.06 0.00 0.02 0.00 0.00 35.03 33.27 3hae n LYS 169 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hae s GLN 170 N 2.34 2.30 0.34 1.64 -0.21 0.88 -4.86 119.66 122.09 3hae s GLN 170 Ca 0.88 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.94 3hae s GLN 170 Cb -0.81 -2.24 0.62 0.00 1.00 0.00 0.00 33.01 31.58 3hae s GLN 170 CO 0.49 -1.10 1.93 0.66 -2.12 0.00 0.00 175.29 175.15 3hae h SER 171 N -0.43 0.59 -0.04 5.90 4.64 -1.88 -1.72 113.55 120.60 3hae h SER 171 Ca -0.44 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 3hae h SER 171 Cb 1.31 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3hae h SER 171 CO 0.59 0.55 0.02 -0.46 -0.87 0.00 0.00 176.83 176.65 3hae n ASN 172 N -4.35 2.04 0.00 4.97 6.94 -1.26 -4.83 115.26 118.77 3hae n ASN 172 Ca 0.03 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 3hae n ASN 172 Cb 0.16 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 3hae n ASN 172 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3hae n ASN 173 N 0.19 -5.63 -4.78 0.53 5.03 -0.65 -4.97 115.26 104.98 3hae n ASN 173 Ca 0.02 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.25 3hae n ASN 173 Cb 0.42 -3.22 0.09 0.00 -1.02 0.00 0.00 39.78 36.04 3hae n ASN 173 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hae s LYS 174 N -1.81 1.93 0.51 3.52 1.02 -1.26 -4.83 119.74 118.82 3hae s LYS 174 Ca 0.00 -1.15 0.06 0.00 0.02 0.00 0.00 55.97 54.90 3hae s LYS 174 Cb 0.00 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 3hae s LYS 174 CO 0.00 -1.22 0.38 0.71 -0.92 0.00 0.00 175.35 174.30 3hae s TYR 175 N -2.99 1.93 0.00 3.18 1.51 0.14 -0.09 117.35 121.02 3hae s TYR 175 Ca 0.64 -0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 3hae s TYR 175 Cb -0.06 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 3hae s TYR 175 CO 0.42 -0.35 0.29 0.00 -1.11 0.00 0.00 175.55 174.81 3hae s ALA 176 N -2.70 -0.72 0.16 3.71 0.00 -1.09 -0.21 121.76 120.92 3hae s ALA 176 Ca 0.38 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 3hae s ALA 176 Cb -0.02 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.25 3hae s ALA 176 CO 0.23 -0.29 0.40 0.00 0.00 0.00 0.00 175.76 176.10 3hae s ALA 177 N -1.61 -0.63 -0.01 0.00 0.00 -0.70 -1.32 121.76 117.48 3hae s ALA 177 Ca -0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 3hae s ALA 177 Cb -0.04 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3hae s ALA 177 CO 0.02 -0.69 0.11 -1.54 0.00 0.00 0.00 175.76 173.66 3hae s SER 178 N -2.88 0.01 0.07 0.00 1.04 -1.26 -1.37 113.70 109.31 3hae s SER 178 Ca 0.09 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.46 3hae s SER 178 Cb 0.01 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 3hae s SER 178 CO -0.05 -0.25 -0.12 -0.55 0.98 0.00 0.00 173.24 173.25 3hae s SER 179 N -0.91 1.43 -0.07 7.02 0.15 -0.12 -1.05 113.70 120.15 3hae s SER 179 Ca -0.10 -0.62 0.02 0.00 0.70 0.00 0.00 55.95 55.95 3hae s SER 179 Cb -0.06 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 3hae s SER 179 CO 0.01 -0.13 -0.11 -0.31 1.20 0.00 0.00 173.24 173.89 3hae s TYR 180 N -1.44 1.41 -0.18 3.44 1.51 0.44 -1.43 117.35 121.10 3hae s TYR 180 Ca -0.03 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 3hae s TYR 180 Cb -0.09 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 3hae s TYR 180 CO 0.02 -0.31 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.85 3hae s LEU 181 N 0.83 2.54 -0.16 -1.29 2.96 0.20 -0.01 118.68 123.75 3hae s LEU 181 Ca -0.11 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 3hae s LEU 181 Cb -0.15 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3hae s LEU 181 CO 0.02 0.04 0.03 -0.44 -1.32 0.00 0.00 176.35 174.68 3hae s SER 182 N 1.07 5.40 0.28 3.68 0.01 -0.67 -0.28 113.70 123.19 3hae s SER 182 Ca -0.00 0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 3hae s SER 182 Cb -0.15 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 3hae s SER 182 CO -0.03 0.20 0.38 -0.76 0.41 0.00 0.00 173.24 173.43 3hae s LEU 183 N 0.21 0.87 0.23 2.44 1.43 0.45 -4.72 118.68 119.60 3hae s LEU 183 Ca 0.02 -1.30 -0.18 0.00 -1.03 0.00 0.00 54.13 51.64 3hae s LEU 183 Cb -0.13 1.24 -0.08 0.00 0.03 0.00 0.00 46.19 47.25 3hae s LEU 183 CO 0.01 -1.12 0.71 0.42 0.23 0.00 0.00 176.35 176.60 3hae s THR 184 N -3.66 4.62 0.45 5.49 -4.23 -1.26 -2.29 115.64 114.75 3hae s THR 184 Ca 0.31 1.19 0.22 0.00 -1.18 0.00 0.00 61.69 62.23 3hae s THR 184 Cb 0.01 -3.81 0.42 0.00 1.34 0.00 0.00 72.50 70.47 3hae s THR 184 CO 0.15 0.15 1.83 1.55 -0.54 0.00 0.00 174.62 177.76 3hae h PRO 185 N 3.26 0.28 -0.16 3.99 0.13 -1.79 0.53 132.00 138.25 3hae h PRO 185 Ca -0.48 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 3hae h PRO 185 Cb 1.19 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 3hae h PRO 185 CO 0.65 0.19 -0.19 1.49 -0.23 0.00 0.00 178.00 179.91 3hae h GLU 186 N 0.29 -0.22 -0.00 0.86 4.22 -1.93 0.61 114.58 118.41 3hae h GLU 186 Ca 0.52 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.97 3hae h GLU 186 Cb 1.50 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3hae h GLU 186 CO -0.17 -0.14 -0.21 0.00 -2.18 0.00 0.00 179.01 176.30 3hae n GLN 187 N -5.33 0.58 0.26 1.92 10.64 0.60 -2.57 117.38 123.48 3hae n GLN 187 Ca -0.02 -0.27 -0.11 0.00 -1.83 0.00 0.00 57.00 54.77 3hae n GLN 187 Cb 0.25 -1.49 -0.05 0.00 -0.86 0.00 0.00 30.24 28.08 3hae n GLN 187 CO 0.00 0.00 0.00 2.35 -1.83 0.00 0.00 177.06 177.58 3hae h TRP 188 N 0.66 -0.65 0.00 2.61 -0.00 0.82 -3.35 115.95 116.04 3hae h TRP 188 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.87 3hae h TRP 188 Cb 0.44 0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 29.82 3hae h TRP 188 CO 0.00 -0.40 -0.01 0.87 -0.00 0.00 0.00 178.44 178.90 3hae h LYS 189 N -1.09 0.00 -0.78 2.65 1.79 0.27 -3.08 116.57 116.32 3hae h LYS 189 Ca -0.07 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 57.97 3hae h LYS 189 Cb 0.54 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.94 3hae h LYS 189 CO 0.12 0.01 0.39 -1.13 -1.08 0.00 0.00 179.45 177.76 3hae n SER 190 N -3.40 3.78 -4.20 0.86 3.41 -1.06 -4.87 113.62 108.13 3hae n SER 190 Ca -0.03 -3.70 -0.14 0.00 -0.26 0.00 0.00 58.87 54.75 3hae n SER 190 Cb 0.09 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.16 3hae n SER 190 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hae s HIS 191 N -3.35 1.11 -0.02 7.33 3.76 -1.17 -5.00 115.29 117.95 3hae s HIS 191 Ca 0.54 -0.72 -0.26 0.00 -0.15 0.00 0.00 55.06 54.47 3hae s HIS 191 Cb 0.46 -0.59 -0.20 0.00 1.11 0.00 0.00 32.58 33.35 3hae s HIS 191 CO 0.06 0.01 1.27 0.00 -0.85 0.00 0.00 174.74 175.22 3hae h ARG 192 N 3.25 -0.02 -3.59 1.40 3.08 -1.89 -3.44 114.38 113.16 3hae h ARG 192 Ca -0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.63 3hae h ARG 192 Cb 1.19 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.14 3hae h ARG 192 CO 0.57 0.44 -0.13 -1.54 -1.07 0.00 0.00 179.97 178.25 3hae s SER 193 N -5.64 -0.11 0.06 7.04 1.04 -1.26 -4.32 113.70 110.50 3hae s SER 193 Ca -0.16 -0.74 0.09 0.00 0.48 0.00 0.00 55.95 55.63 3hae s SER 193 Cb 0.02 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 3hae s SER 193 CO 0.66 -1.02 -0.24 -0.31 0.98 0.00 0.00 173.24 173.31 3hae s TYR 194 N -3.94 2.10 0.05 5.02 1.51 0.20 -1.47 117.35 120.83 3hae s TYR 194 Ca 0.15 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.88 3hae s TYR 194 Cb 0.01 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 3hae s TYR 194 CO 0.01 0.15 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.32 3hae s SER 195 N -1.39 2.01 -0.17 2.29 0.01 -0.21 -0.39 113.70 115.86 3hae s SER 195 Ca 0.10 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.86 3hae s SER 195 Cb -0.10 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.02 3hae s SER 195 CO 0.03 0.07 -0.19 0.00 0.41 0.00 0.00 173.24 173.55 3hae s GLN 197 N 1.23 3.06 -0.15 0.00 -2.07 0.14 -1.63 119.66 120.25 3hae s GLN 197 Ca 0.03 -0.85 -0.07 0.00 -1.82 0.00 0.00 55.36 52.65 3hae s GLN 197 Cb -0.13 -2.41 -0.04 0.00 -1.09 0.00 0.00 33.01 29.33 3hae s GLN 197 CO -0.11 0.06 0.08 0.08 -1.32 0.00 0.00 175.29 174.09 3hae s VAL 198 N 0.64 4.99 -0.24 3.63 1.01 0.77 -1.04 120.40 130.16 3hae s VAL 198 Ca -0.11 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3hae s VAL 198 Cb -0.16 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.07 3hae s VAL 198 CO 0.02 0.53 -0.11 -0.89 0.00 0.00 0.00 175.10 174.66 3hae s THR 199 N -0.28 1.98 -0.18 3.92 2.01 -0.66 -0.67 115.64 121.76 3hae s THR 199 Ca 0.09 -1.44 0.01 0.00 0.31 0.00 0.00 61.69 60.66 3hae s THR 199 Cb -0.12 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.31 3hae s THR 199 CO 0.01 0.02 -0.18 -2.28 -0.69 0.00 0.00 174.62 171.51 3hae s HIS 200 N 1.20 2.79 -0.81 4.92 2.46 -1.03 -2.16 115.29 122.67 3hae s HIS 200 Ca -0.06 -1.48 -0.01 0.00 0.47 0.00 0.00 55.06 53.98 3hae s HIS 200 Cb -0.19 -1.93 0.00 0.00 -0.13 0.00 0.00 32.58 30.33 3hae s HIS 200 CO -0.06 -0.73 0.62 0.39 -2.47 0.00 0.00 174.74 172.49 3hae n GLU 201 N 4.54 -1.52 -1.68 2.88 -0.58 -1.26 -3.06 120.64 119.96 3hae n GLU 201 Ca -0.20 0.89 -0.20 0.00 -0.42 0.00 0.00 57.16 57.22 3hae n GLU 201 Cb 0.50 -2.83 -0.08 0.00 -0.57 0.00 0.00 31.44 28.47 3hae n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hae n GLY 202 N -1.64 1.61 3.04 0.62 0.00 -1.26 -4.98 105.19 102.58 3hae n GLY 202 Ca -0.27 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 3hae n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hae s ASN 203 N -2.70 0.18 -0.54 1.61 -0.87 -1.17 -5.13 114.94 106.32 3hae s ASN 203 Ca 0.00 0.54 -0.23 0.00 -1.57 0.00 0.00 52.86 51.59 3hae s ASN 203 Cb 0.00 1.05 0.04 0.00 -0.02 0.00 0.00 41.25 42.32 3hae s ASN 203 CO 0.00 -0.27 0.90 -0.89 -2.57 0.00 0.00 177.10 174.27 3hae s THR 204 N 2.53 4.46 0.42 1.60 2.01 -1.26 -2.45 115.64 122.94 3hae s THR 204 Ca 0.05 0.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.06 3hae s THR 204 Cb -0.14 -4.50 -0.10 0.00 0.01 0.00 0.00 72.50 67.77 3hae s THR 204 CO -0.13 -1.06 0.90 -0.69 -0.69 0.00 0.00 174.62 172.95 3hae s VAL 205 N 3.76 4.48 -0.17 3.82 1.01 0.15 -4.91 120.40 128.54 3hae s VAL 205 Ca 0.29 1.31 -0.13 0.00 0.00 0.00 0.00 61.98 63.44 3hae s VAL 205 Cb -0.13 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.68 3hae s VAL 205 CO 0.19 -0.34 0.45 -0.70 0.00 0.00 0.00 175.10 174.69 3hae s GLU 206 N -3.27 0.48 0.14 2.72 2.12 -1.26 -0.16 118.70 119.47 3hae s GLU 206 Ca 0.60 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.67 3hae s GLU 206 Cb -0.09 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 3hae s GLU 206 CO 0.17 -0.11 -0.05 0.15 -0.54 0.00 0.00 175.26 174.88 3hae s LYS 207 N 0.79 0.99 -0.01 4.30 1.02 -0.64 -4.99 119.74 121.20 3hae s LYS 207 Ca -0.04 -1.44 -0.01 0.00 0.02 0.00 0.00 55.97 54.49 3hae s LYS 207 Cb -0.05 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 3hae s LYS 207 CO -0.06 -0.04 0.03 0.99 -0.92 0.00 0.00 175.35 175.35 3hae s THR 208 N -3.57 0.01 0.22 2.17 2.01 -1.26 -0.57 115.64 114.64 3hae s THR 208 Ca 0.18 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.14 3hae s THR 208 Cb 0.05 -0.07 -0.05 0.00 0.01 0.00 0.00 72.50 72.44 3hae s THR 208 CO -0.00 -0.03 0.07 0.68 -0.69 0.00 0.00 174.62 174.65 3hae s VAL 209 N -0.07 0.52 -0.27 3.82 -7.23 0.47 -4.99 120.40 112.66 3hae s VAL 209 Ca -0.01 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 57.94 3hae s VAL 209 Cb -0.01 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.56 3hae s VAL 209 CO 0.00 -0.16 0.74 0.00 -0.31 0.00 0.00 175.10 175.38 3hae s ALA 210 N -3.78 -1.83 -2.00 1.32 0.00 -1.26 0.62 121.76 114.83 3hae s ALA 210 Ca 0.33 2.12 0.10 0.00 0.00 0.00 0.00 51.96 54.52 3hae s ALA 210 Cb 0.07 -1.27 0.62 0.00 0.00 0.00 0.00 23.12 22.54 3hae s ALA 210 CO 0.10 -0.34 1.06 -0.35 0.00 0.00 0.00 175.76 176.23