#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae s VAL 2 N 0.00 3.66 -0.26 3.84 1.01 -1.26 -4.64 120.40 122.74 3hae s VAL 2 Ca 0.00 1.45 -0.16 0.00 0.00 0.00 0.00 61.98 63.27 3hae s VAL 2 Cb 0.00 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.62 3hae s VAL 2 CO 0.00 0.18 0.65 -1.58 0.00 0.00 0.00 175.10 174.35 3hae s GLN 3 N -1.99 0.67 -0.02 2.72 0.74 -0.66 -5.05 119.66 116.08 3hae s GLN 3 Ca 0.51 1.15 0.08 0.00 0.05 0.00 0.00 55.36 57.15 3hae s GLN 3 Cb -0.26 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 33.96 3hae s GLN 3 CO 0.33 -0.15 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.17 3hae s LEU 4 N 1.53 2.14 -0.35 3.68 1.43 -1.26 -1.81 118.68 124.04 3hae s LEU 4 Ca -0.09 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3hae s LEU 4 Cb -0.05 -1.36 0.13 0.00 0.03 0.00 0.00 46.19 44.94 3hae s LEU 4 CO -0.18 0.32 0.20 -0.22 0.23 0.00 0.00 176.35 176.70 3hae s LEU 5 N -0.69 1.09 1.12 1.79 2.96 -0.78 -3.95 118.68 120.22 3hae s LEU 5 Ca 0.10 -2.09 -0.16 0.00 -0.22 0.00 0.00 54.13 51.76 3hae s LEU 5 Cb -0.10 -0.46 0.16 0.00 0.50 0.00 0.00 46.19 46.29 3hae s LEU 5 CO -0.00 -0.33 0.38 -0.62 -1.32 0.00 0.00 176.35 174.46 3hae n GLU 6 N 4.18 -1.73 -3.65 1.98 4.71 -1.26 -3.13 120.64 121.74 3hae n GLU 6 Ca 0.09 -0.48 -0.02 0.00 -0.01 0.00 0.00 57.16 56.74 3hae n GLU 6 Cb 0.38 -1.88 -0.01 0.00 -1.01 0.00 0.00 31.44 28.92 3hae n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3hae s SER 7 N -2.05 -0.15 0.00 1.62 1.04 -0.85 -4.89 113.70 108.43 3hae s SER 7 Ca 0.60 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.83 3hae s SER 7 Cb -0.17 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3hae s SER 7 CO 0.66 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.94 3hae n GLY 8 N -0.40 0.54 2.53 7.32 0.00 -1.26 -2.51 105.19 111.40 3hae n GLY 8 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 3hae n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 9 N -1.91 -3.58 0.00 -0.02 0.00 -1.26 -4.51 105.19 93.91 3hae n GLY 9 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3hae n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 10 N -4.12 0.83 3.62 -0.02 0.00 0.46 -4.96 105.19 101.00 3hae n GLY 10 Ca 0.11 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 3hae n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hae s LEU 11 N 0.00 4.06 -0.00 0.99 2.96 -1.26 -1.34 118.68 124.09 3hae s LEU 11 Ca 0.00 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3hae s LEU 11 Cb 0.00 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 3hae s LEU 11 CO 0.00 -0.00 -0.04 0.54 -1.32 0.00 0.00 176.35 175.53 3hae s VAL 12 N 1.45 0.30 0.32 1.68 0.11 0.40 -4.99 120.40 119.67 3hae s VAL 12 Ca 0.07 -0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 58.62 3hae s VAL 12 Cb -0.15 -0.27 -0.11 0.00 -1.53 0.00 0.00 36.38 34.32 3hae s VAL 12 CO 0.08 0.05 1.58 -1.10 -3.33 0.00 0.00 175.10 172.39 3hae s GLN 13 N -0.18 4.10 0.24 1.54 -1.52 -1.24 0.30 119.66 122.91 3hae s GLN 13 Ca 0.01 2.61 -0.31 0.00 -1.95 0.00 0.00 55.36 55.71 3hae s GLN 13 Cb -0.02 -3.00 -0.13 0.00 -0.22 0.00 0.00 33.01 29.64 3hae s GLN 13 CO -0.00 -0.63 1.43 -2.30 -0.25 0.00 0.00 175.29 173.54 3hae n PRO 14 N 1.70 2.11 0.00 2.91 -0.02 -1.26 0.41 135.00 140.85 3hae n PRO 14 Ca 0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3hae n PRO 14 Cb 0.38 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3hae n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hae n GLY 15 N 2.21 2.40 0.62 -1.23 0.00 0.24 -4.97 105.19 104.46 3hae n GLY 15 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 3hae n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 16 N -2.00 -1.55 3.04 -0.02 0.00 0.17 -3.41 105.19 101.41 3hae n GLY 16 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 3hae n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hae s SER 17 N -1.85 0.77 0.10 1.61 0.01 -1.26 -1.84 113.70 111.24 3hae s SER 17 Ca 0.12 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.78 3hae s SER 17 Cb -0.01 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.27 3hae s SER 17 CO 0.09 -0.16 0.34 -0.22 0.41 0.00 0.00 173.24 173.70 3hae s LEU 18 N -1.31 0.70 -0.02 2.44 2.96 -0.90 -5.02 118.68 117.53 3hae s LEU 18 Ca -0.08 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3hae s LEU 18 Cb -0.09 1.58 0.01 0.00 0.50 0.00 0.00 46.19 48.20 3hae s LEU 18 CO 0.00 -0.78 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.61 3hae s ARG 19 N -3.57 0.55 -0.06 1.98 3.52 -1.26 -1.54 118.95 118.57 3hae s ARG 19 Ca 0.02 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 3hae s ARG 19 Cb 0.02 -0.57 -0.02 0.00 -1.56 0.00 0.00 34.95 32.82 3hae s ARG 19 CO -0.10 0.02 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.73 3hae s LEU 20 N 0.35 2.51 0.26 -0.88 1.43 -1.06 -4.54 118.68 116.76 3hae s LEU 20 Ca -0.04 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3hae s LEU 20 Cb -0.08 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3hae s LEU 20 CO -0.00 0.30 0.40 -0.44 0.23 0.00 0.00 176.35 176.84 3hae s SER 21 N -0.48 6.29 -0.19 2.29 0.01 -1.04 -2.02 113.70 118.55 3hae s SER 21 Ca 0.06 0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.39 3hae s SER 21 Cb -0.12 -1.84 0.10 0.00 0.21 0.00 0.00 66.02 64.37 3hae s SER 21 CO 0.01 -0.13 0.28 0.00 0.41 0.00 0.00 173.24 173.81 3hae s ALA 23 N 2.42 3.52 0.03 0.00 0.00 -1.18 -1.37 121.76 125.17 3hae s ALA 23 Ca 0.07 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.14 3hae s ALA 23 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 3hae s ALA 23 CO -0.12 0.27 -0.01 0.00 0.00 0.00 0.00 175.76 175.90 3hae s ALA 24 N -0.68 3.25 -0.26 0.00 0.00 0.91 -1.87 121.76 123.11 3hae s ALA 24 Ca 0.31 -1.01 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 3hae s ALA 24 Cb -0.20 -1.27 0.07 0.00 0.00 0.00 0.00 23.12 21.73 3hae s ALA 24 CO 0.19 0.66 0.68 -1.54 0.00 0.00 0.00 175.76 175.76 3hae s SER 25 N -1.79 -0.73 0.00 0.00 1.04 -0.75 -4.90 113.70 106.57 3hae s SER 25 Ca 0.21 1.39 0.00 0.00 0.48 0.00 0.00 55.95 58.03 3hae s SER 25 Cb -0.12 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.39 3hae s SER 25 CO 0.13 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3hae n GLY 26 N 2.87 0.54 3.68 7.32 0.00 -1.26 -1.65 105.19 116.70 3hae n GLY 26 Ca -0.15 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 3hae n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hae s PHE 27 N -2.00 -0.29 -0.92 1.61 -0.12 -1.26 -4.50 117.98 110.49 3hae s PHE 27 Ca 0.00 -0.04 -0.21 0.00 -0.05 0.00 0.00 56.93 56.63 3hae s PHE 27 Cb 0.00 0.64 0.09 0.00 -0.63 0.00 0.00 43.02 43.11 3hae s PHE 27 CO 0.00 -0.98 1.24 0.95 -0.05 0.00 0.00 175.22 176.38 3hae s THR 28 N -3.67 4.31 0.19 -4.49 -4.23 -1.26 -4.88 115.64 101.61 3hae s THR 28 Ca 0.08 -1.01 -0.20 0.00 -1.18 0.00 0.00 61.69 59.38 3hae s THR 28 Cb -0.03 -4.89 0.13 0.00 1.34 0.00 0.00 72.50 69.05 3hae s THR 28 CO -0.01 -1.69 1.60 0.15 -0.54 0.00 0.00 174.62 174.13 3hae h PHE 29 N 9.36 -0.80 0.00 3.99 3.57 -1.95 -2.08 116.94 129.02 3hae h PHE 29 Ca 0.10 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3hae h PHE 29 Cb 1.03 0.43 0.00 0.00 2.79 0.00 0.00 35.95 40.20 3hae h PHE 29 CO 1.19 -0.36 0.00 0.66 -2.23 0.00 0.00 178.31 177.56 3hae h SER 30 N -0.16 0.00 1.48 0.41 4.64 -1.86 0.19 113.55 118.25 3hae h SER 30 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hae h SER 30 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hae h SER 30 CO -0.64 0.00 -0.30 0.00 -0.87 0.00 0.00 176.83 175.03 3hae h ALA 31 N 2.00 0.83 -2.92 5.18 0.00 -1.64 -3.43 119.26 119.29 3hae h ALA 31 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3hae h ALA 31 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3hae h ALA 31 CO 0.00 0.00 -0.22 0.71 0.00 0.00 0.00 179.25 179.74 3hae s TYR 32 N -3.20 3.55 0.44 0.00 1.51 0.66 -4.82 117.35 115.48 3hae s TYR 32 Ca 0.06 0.81 -0.22 0.00 -1.01 0.00 0.00 57.07 56.71 3hae s TYR 32 Cb 0.09 -2.41 -0.09 0.00 -0.11 0.00 0.00 41.96 39.44 3hae s TYR 32 CO 0.68 0.31 1.04 0.20 -1.11 0.00 0.00 175.55 176.68 3hae s GLY 33 N 0.15 2.61 0.13 0.71 0.00 -0.94 -4.14 107.32 105.85 3hae s GLY 33 Ca 0.22 0.65 0.01 0.00 0.00 0.00 0.00 44.72 45.60 3hae s GLY 33 CO 0.09 1.02 -0.02 1.06 0.00 0.00 0.00 173.10 175.24 3hae s MET 34 N -2.89 0.96 0.28 2.90 1.00 -0.84 -1.33 119.30 119.38 3hae s MET 34 Ca 0.63 -1.43 -0.15 0.00 0.00 0.00 0.00 55.69 54.73 3hae s MET 34 Cb -0.19 -0.18 0.06 0.00 0.00 0.00 0.00 34.83 34.52 3hae s MET 34 CO 0.23 -0.09 0.78 0.41 0.00 0.00 0.00 175.02 176.35 3hae n GLY 35 N -0.14 0.94 3.01 -0.03 0.00 0.17 -0.24 105.19 108.90 3hae n GLY 35 Ca -0.09 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 3hae n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hae s TRP 36 N -2.83 1.34 -0.03 1.61 0.52 -0.41 -1.94 118.94 117.20 3hae s TRP 36 Ca 0.16 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.89 3hae s TRP 36 Cb -0.04 -0.99 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 3hae s TRP 36 CO 0.08 -0.24 -0.25 0.08 0.02 0.00 0.00 176.95 176.64 3hae s VAL 37 N 0.62 2.00 0.31 4.03 1.01 -0.95 -0.64 120.40 126.77 3hae s VAL 37 Ca -0.13 -1.07 0.10 0.00 0.00 0.00 0.00 61.98 60.89 3hae s VAL 37 Cb -0.15 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 3hae s VAL 37 CO 0.03 0.56 -0.14 0.00 0.00 0.00 0.00 175.10 175.55 3hae s ARG 38 N -0.49 1.72 -0.20 2.72 1.70 -1.26 0.44 118.95 123.58 3hae s ARG 38 Ca 0.07 -1.84 -0.05 0.00 -0.47 0.00 0.00 55.73 53.44 3hae s ARG 38 Cb -0.11 -1.68 0.07 0.00 -0.57 0.00 0.00 34.95 32.66 3hae s ARG 38 CO 0.00 0.22 0.09 -1.14 -1.08 0.00 0.00 175.30 173.40 3hae s GLN 39 N -3.57 0.14 0.43 3.89 0.74 -0.48 -0.10 119.66 120.72 3hae s GLN 39 Ca 0.31 -0.22 -0.25 0.00 0.05 0.00 0.00 55.36 55.25 3hae s GLN 39 Cb -0.01 -1.71 -0.08 0.00 1.10 0.00 0.00 33.01 32.31 3hae s GLN 39 CO 0.15 -0.75 1.33 0.00 -0.55 0.00 0.00 175.29 175.47 3hae s ALA 40 N 2.10 3.19 0.06 1.58 0.00 -1.26 -1.76 121.76 125.66 3hae s ALA 40 Ca 0.03 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 3hae s ALA 40 Cb -0.16 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3hae s ALA 40 CO -0.15 -0.95 1.89 -2.30 0.00 0.00 0.00 175.76 174.25 3hae n PRO 41 N -0.11 2.69 0.00 0.00 -0.02 -1.26 0.89 135.00 137.20 3hae n PRO 41 Ca 0.05 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3hae n PRO 41 Cb 0.44 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 3hae n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hae n GLY 42 N 4.35 2.42 1.24 -1.23 0.00 -1.26 -5.02 105.19 105.69 3hae n GLY 42 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 3hae n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hae n LYS 43 N -2.00 0.90 -0.24 1.61 5.02 0.26 -5.13 118.16 118.58 3hae n LYS 43 Ca 0.00 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 3hae n LYS 43 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 3hae n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hae n GLY 44 N 2.76 -0.30 3.84 0.72 0.00 -1.26 -4.67 105.19 106.28 3hae n GLY 44 Ca 0.05 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 3hae n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hae s LEU 45 N 0.00 4.40 0.00 0.99 1.43 -1.26 -4.13 118.68 120.11 3hae s LEU 45 Ca 0.00 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 3hae s LEU 45 Cb 0.00 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.15 3hae s LEU 45 CO 0.00 0.18 0.00 1.21 0.23 0.00 0.00 176.35 177.97 3hae n GLU 46 N 1.16 0.00 0.00 1.70 2.13 0.86 -4.97 120.64 121.52 3hae n GLU 46 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3hae n GLU 46 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 3hae n GLU 46 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 3hae n TRP 47 N -1.36 0.00 -0.04 4.31 -0.00 -1.26 -4.86 117.44 114.23 3hae n TRP 47 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.44 3hae n TRP 47 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 3hae n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3hae n VAL 48 N 2.96 0.50 -3.63 5.87 0.31 0.18 -4.68 118.33 119.84 3hae n VAL 48 Ca 0.00 -0.19 -0.03 0.00 -0.01 0.00 0.00 64.34 64.11 3hae n VAL 48 Cb 0.00 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 3hae n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hae s SER 49 N -4.89 -0.08 0.05 4.52 0.15 -1.20 -1.84 113.70 110.41 3hae s SER 49 Ca -0.12 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.52 3hae s SER 49 Cb 0.03 0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 3hae s SER 49 CO 0.20 -0.11 0.10 -0.44 1.20 0.00 0.00 173.24 174.19 3hae s SER 50 N -1.63 0.20 0.13 5.45 0.01 -0.54 -1.29 113.70 116.03 3hae s SER 50 Ca 0.09 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.76 3hae s SER 50 Cb -0.01 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 3hae s SER 50 CO -0.05 -0.55 -0.01 -0.51 0.41 0.00 0.00 173.24 172.53 3hae s ILE 51 N -2.92 0.53 0.35 1.44 2.07 0.66 -1.79 121.20 121.54 3hae s ILE 51 Ca -0.02 -1.94 0.07 0.00 -1.41 0.00 0.00 60.65 57.35 3hae s ILE 51 Cb 0.01 -1.92 -0.02 0.00 0.13 0.00 0.00 42.46 40.65 3hae s ILE 51 CO -0.06 -0.64 0.36 -0.83 -1.91 0.00 0.00 174.94 171.87 3hae s GLY 52 N -3.09 1.77 0.23 1.50 0.00 -1.25 -1.98 107.32 104.50 3hae s GLY 52 Ca 0.19 -1.62 0.10 0.00 0.00 0.00 0.00 44.72 43.39 3hae s GLY 52 CO -0.00 -1.53 0.49 -1.14 0.00 0.00 0.00 173.10 170.92 3hae n SER 53 N -1.49 0.00 -2.74 1.64 3.41 -1.26 -3.04 113.62 110.14 3hae n SER 53 Ca -0.00 0.29 -0.06 0.00 -0.26 0.00 0.00 58.87 58.83 3hae n SER 53 Cb 0.59 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.49 3hae n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hae n SER 54 N -2.02 -2.86 -0.77 4.04 3.41 -1.26 -4.67 113.62 109.49 3hae n SER 54 Ca 0.09 -2.92 0.06 0.00 -0.26 0.00 0.00 58.87 55.84 3hae n SER 54 Cb 0.58 1.65 -0.01 0.00 -0.26 0.00 0.00 64.21 66.16 3hae n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 55 N 2.09 -1.65 4.01 5.00 0.00 -1.17 -4.91 105.19 108.56 3hae n GLY 55 Ca 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3hae n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 56 N -1.38 1.98 0.06 -0.02 0.00 -1.26 -3.93 105.19 100.64 3hae n GLY 56 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 3hae n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 57 N 0.00 -0.37 0.00 -0.02 0.00 -1.26 -4.79 105.19 98.75 3hae n GLY 57 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hae n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hae n THR 58 N -4.21 0.00 -4.61 2.61 -2.24 -1.22 -4.71 114.28 99.90 3hae n THR 58 Ca 0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.53 3hae n THR 58 Cb 0.05 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 3hae n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hae s ALA 59 N 0.00 1.89 0.07 6.98 0.00 -0.74 -4.99 121.76 124.97 3hae s ALA 59 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3hae s ALA 59 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3hae s ALA 59 CO 0.00 0.42 -0.05 0.71 0.00 0.00 0.00 175.76 176.85 3hae s TYR 60 N -0.87 0.69 0.05 0.00 2.02 -1.26 -1.47 117.35 116.49 3hae s TYR 60 Ca 0.08 -0.99 -0.19 0.00 -0.37 0.00 0.00 57.07 55.61 3hae s TYR 60 Cb -0.09 -0.44 -0.06 0.00 -0.40 0.00 0.00 41.96 40.96 3hae s TYR 60 CO 0.02 -0.27 0.55 0.00 -1.57 0.00 0.00 175.55 174.28 3hae s ALA 61 N -3.73 3.59 0.27 3.71 0.00 -0.77 -4.92 121.76 119.91 3hae s ALA 61 Ca 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 3hae s ALA 61 Cb 0.06 -2.62 0.61 0.00 0.00 0.00 0.00 23.12 21.18 3hae s ALA 61 CO -0.07 0.36 1.37 -0.25 0.00 0.00 0.00 175.76 177.17 3hae n ASP 62 N 1.94 -0.15 0.00 0.00 10.43 -1.26 0.36 116.55 127.87 3hae n ASP 62 Ca -0.10 1.49 0.02 0.00 2.57 0.00 0.00 54.79 58.77 3hae n ASP 62 Cb 0.51 -0.52 0.12 0.00 1.84 0.00 0.00 41.12 43.07 3hae n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3hae n SER 63 N -5.30 0.00 0.00 -2.24 3.41 -1.26 -2.56 113.62 105.66 3hae n SER 63 Ca 0.19 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3hae n SER 63 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3hae n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hae n VAL 64 N -0.74 0.00 -1.60 -3.33 0.24 0.16 -5.10 118.33 107.96 3hae n VAL 64 Ca 0.03 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.34 61.85 3hae n VAL 64 Cb 0.01 0.76 0.02 0.00 -1.47 0.00 0.00 33.84 33.16 3hae n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3hae n LYS 65 N -0.25 1.21 0.00 7.34 4.81 -0.99 -1.64 118.16 128.65 3hae n LYS 65 Ca 0.00 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3hae n LYS 65 Cb 0.00 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 32.99 3hae n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hae n GLY 66 N 1.24 1.74 0.13 3.14 0.00 -1.26 -4.68 105.19 105.50 3hae n GLY 66 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3hae n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae n ARG 67 N -1.81 0.46 -3.95 1.61 1.74 -0.65 -4.99 116.66 109.06 3hae n ARG 67 Ca 0.00 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 3hae n ARG 67 Cb 0.00 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 3hae n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hae s PHE 68 N -2.37 3.48 -0.02 -1.55 0.40 -0.98 -1.45 117.98 115.48 3hae s PHE 68 Ca -0.26 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 3hae s PHE 68 Cb 0.07 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.83 3hae s PHE 68 CO 0.42 0.60 -0.05 0.99 0.70 0.00 0.00 175.22 177.89 3hae s THR 69 N -1.38 0.46 -0.25 0.64 2.01 0.29 -4.87 115.64 112.52 3hae s THR 69 Ca 0.30 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 3hae s THR 69 Cb -0.13 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 71.97 3hae s THR 69 CO 0.22 0.16 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.76 3hae s ILE 70 N 0.29 3.09 0.49 1.82 2.07 -1.26 0.08 121.20 127.77 3hae s ILE 70 Ca -0.03 -0.94 0.04 0.00 -1.41 0.00 0.00 60.65 58.30 3hae s ILE 70 Cb -0.07 -2.56 -0.01 0.00 0.13 0.00 0.00 42.46 39.94 3hae s ILE 70 CO -0.00 0.19 0.12 -0.94 -1.91 0.00 0.00 174.94 172.40 3hae s SER 71 N 1.36 4.26 0.11 4.50 1.04 -1.21 -4.89 113.70 118.88 3hae s SER 71 Ca 0.01 -1.45 -0.10 0.00 0.48 0.00 0.00 55.95 54.89 3hae s SER 71 Cb -0.17 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3hae s SER 71 CO -0.03 -0.83 0.25 0.00 0.98 0.00 0.00 173.24 173.61 3hae s ARG 72 N -3.96 0.96 -0.57 4.02 1.70 -1.26 -2.37 118.95 117.47 3hae s ARG 72 Ca 0.21 -0.97 0.04 0.00 -0.47 0.00 0.00 55.73 54.54 3hae s ARG 72 Cb 0.02 0.37 0.16 0.00 -0.57 0.00 0.00 34.95 34.93 3hae s ARG 72 CO 0.12 -0.33 0.38 0.34 -1.08 0.00 0.00 175.30 174.73 3hae s ASP 73 N -2.88 3.83 0.00 -2.89 3.68 0.42 -4.96 116.67 113.87 3hae s ASP 73 Ca 0.07 -3.34 0.00 0.00 2.13 0.00 0.00 52.55 51.41 3hae s ASP 73 Cb 0.04 -1.27 0.00 0.00 -1.45 0.00 0.00 42.92 40.24 3hae s ASP 73 CO -0.08 -0.16 0.06 0.59 0.13 0.00 0.00 175.17 175.71 3hae n ASN 74 N 2.61 0.00 0.00 -0.34 4.13 -1.26 -0.06 115.26 120.34 3hae n ASN 74 Ca 0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3hae n ASN 74 Cb 0.37 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 3hae n ASN 74 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3hae n SER 75 N -0.53 0.08 -0.50 6.41 3.41 -1.26 -4.26 113.62 116.97 3hae n SER 75 Ca 0.00 -0.30 0.05 0.00 -0.26 0.00 0.00 58.87 58.36 3hae n SER 75 Cb 0.00 0.62 0.08 0.00 -0.26 0.00 0.00 64.21 64.65 3hae n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hae n LYS 76 N -0.63 1.30 -4.01 4.33 5.02 0.92 -5.01 118.16 120.07 3hae n LYS 76 Ca 0.00 -1.45 -0.27 0.00 -2.02 0.00 0.00 58.31 54.57 3hae n LYS 76 Cb 0.00 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3hae n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hae n ASN 77 N 0.58 -0.67 -4.25 4.39 5.03 -0.40 -4.71 115.26 115.22 3hae n ASN 77 Ca 0.08 -1.02 -0.27 0.00 0.87 0.00 0.00 54.58 54.24 3hae n ASN 77 Cb 0.32 -2.94 -0.15 0.00 -1.02 0.00 0.00 39.78 36.00 3hae n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hae s THR 78 N -3.89 1.74 0.03 3.41 2.01 -1.20 -0.06 115.64 117.66 3hae s THR 78 Ca 0.11 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.05 3hae s THR 78 Cb -0.06 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3hae s THR 78 CO 0.90 0.36 0.01 -0.22 -0.69 0.00 0.00 174.62 174.98 3hae s LEU 79 N -0.85 3.53 0.17 4.42 2.96 -0.47 -0.44 118.68 127.99 3hae s LEU 79 Ca 0.08 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3hae s LEU 79 Cb -0.09 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3hae s LEU 79 CO 0.01 0.25 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.82 3hae s TYR 80 N -1.16 1.67 -0.26 5.38 2.02 -1.00 -0.90 117.35 123.10 3hae s TYR 80 Ca 0.22 -0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 56.35 3hae s TYR 80 Cb -0.12 -0.82 0.11 0.00 -0.40 0.00 0.00 41.96 40.73 3hae s TYR 80 CO 0.13 0.29 0.20 -1.17 -1.57 0.00 0.00 175.55 173.43 3hae s LEU 81 N -2.87 0.14 0.31 -1.29 2.96 -0.86 -3.29 118.68 113.79 3hae s LEU 81 Ca 0.17 -0.86 -0.27 0.00 -0.22 0.00 0.00 54.13 52.94 3hae s LEU 81 Cb -0.03 0.08 -0.09 0.00 0.50 0.00 0.00 46.19 46.65 3hae s LEU 81 CO 0.06 -0.39 1.02 -1.58 -1.32 0.00 0.00 176.35 174.13 3hae s GLN 82 N 2.23 4.56 -0.06 1.98 2.00 0.11 -2.55 119.66 127.93 3hae s GLN 82 Ca 0.08 1.55 -0.00 0.00 -2.00 0.00 0.00 55.36 54.99 3hae s GLN 82 Cb -0.15 -2.96 0.02 0.00 0.80 0.00 0.00 33.01 30.72 3hae s GLN 82 CO -0.29 0.21 -0.03 -1.64 -0.50 0.00 0.00 175.29 173.04 3hae s MET 83 N -1.78 0.86 0.24 1.67 -1.94 -0.59 -0.55 119.30 117.21 3hae s MET 83 Ca 0.48 -0.05 0.04 0.00 -1.71 0.00 0.00 55.69 54.45 3hae s MET 83 Cb -0.25 -1.01 -0.05 0.00 2.01 0.00 0.00 34.83 35.53 3hae s MET 83 CO 0.32 -0.19 -0.01 -0.80 -0.01 0.00 0.00 175.02 174.32 3hae s ASN 84 N 1.43 1.99 -1.45 3.03 0.01 -0.53 -2.12 114.94 117.30 3hae s ASN 84 Ca -0.03 -1.21 -0.00 0.00 -0.71 0.00 0.00 52.86 50.91 3hae s ASN 84 Cb -0.13 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.51 3hae s ASN 84 CO -0.03 -0.48 0.28 -1.20 -1.51 0.00 0.00 177.10 174.16 3hae n SER 85 N -0.44 0.09 -4.77 -1.22 7.64 -1.16 -4.63 113.62 109.13 3hae n SER 85 Ca -0.05 -1.10 -0.41 0.00 1.01 0.00 0.00 58.87 58.32 3hae n SER 85 Cb 0.64 -2.57 -0.01 0.00 -1.01 0.00 0.00 64.21 61.25 3hae n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hae s LEU 86 N -7.10 4.37 0.33 -3.43 1.43 -0.76 -4.72 118.68 108.80 3hae s LEU 86 Ca 0.00 2.85 0.09 0.00 -1.03 0.00 0.00 54.13 56.05 3hae s LEU 86 Cb -0.00 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 3hae s LEU 86 CO 0.92 -0.73 -0.03 -0.13 0.23 0.00 0.00 176.35 176.62 3hae s ARG 87 N -1.59 2.00 0.64 1.70 0.52 -1.26 -0.59 118.95 120.36 3hae s ARG 87 Ca 0.53 -1.78 0.36 0.00 -0.52 0.00 0.00 55.73 54.33 3hae s ARG 87 Cb -0.43 -1.88 2.04 0.00 0.52 0.00 0.00 34.95 35.21 3hae s ARG 87 CO 0.55 0.16 2.23 0.00 0.02 0.00 0.00 175.30 178.27 3hae h ALA 88 N 1.89 1.32 -0.00 2.13 0.00 -1.96 0.47 119.26 123.11 3hae h ALA 88 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hae h ALA 88 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hae h ALA 88 CO 0.67 -0.10 -0.10 0.39 0.00 0.00 0.00 179.25 180.11 3hae n GLU 89 N -3.36 0.24 -0.03 0.00 4.71 -1.26 -3.39 120.64 117.55 3hae n GLU 89 Ca -0.02 -0.05 0.12 0.00 -0.01 0.00 0.00 57.16 57.20 3hae n GLU 89 Cb 0.16 -1.50 0.56 0.00 -1.01 0.00 0.00 31.44 29.66 3hae n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hae n ASP 90 N -1.33 0.94 -4.67 1.62 8.00 0.16 -4.84 116.55 116.44 3hae n ASP 90 Ca 0.10 -1.46 -0.43 0.00 0.71 0.00 0.00 54.79 53.72 3hae n ASP 90 Cb 0.30 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 3hae n ASP 90 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hae s THR 91 N -1.93 4.29 -0.07 -3.53 -1.32 -1.22 -4.88 115.64 106.99 3hae s THR 91 Ca 0.36 1.57 -0.32 0.00 -1.21 0.00 0.00 61.69 62.09 3hae s THR 91 Cb 0.18 -4.01 0.14 0.00 -1.51 0.00 0.00 72.50 67.29 3hae s THR 91 CO 0.29 -0.11 1.38 0.00 -2.21 0.00 0.00 174.62 173.97 3hae s ALA 92 N 3.24 -2.43 -0.25 11.08 0.00 -0.28 -4.45 121.76 128.66 3hae s ALA 92 Ca 0.54 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 53.16 3hae s ALA 92 Cb -0.22 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3hae s ALA 92 CO 0.16 -1.07 0.41 0.08 0.00 0.00 0.00 175.76 175.34 3hae s VAL 93 N -2.16 5.15 -0.22 0.00 1.01 -0.72 0.26 120.40 123.72 3hae s VAL 93 Ca 0.16 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.72 3hae s VAL 93 Cb 0.06 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3hae s VAL 93 CO -0.06 0.16 0.13 -0.31 0.00 0.00 0.00 175.10 175.03 3hae s TYR 94 N 1.96 3.30 -0.10 5.22 2.02 0.26 -1.38 117.35 128.62 3hae s TYR 94 Ca 0.17 0.16 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 3hae s TYR 94 Cb -0.15 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 3hae s TYR 94 CO 0.09 0.08 0.07 0.71 -1.57 0.00 0.00 175.55 174.93 3hae s TYR 95 N 0.88 3.37 0.02 2.71 2.02 0.17 -0.86 117.35 125.66 3hae s TYR 95 Ca 0.07 0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.94 3hae s TYR 95 Cb -0.13 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.51 3hae s TYR 95 CO 0.03 0.60 0.48 0.00 -1.57 0.00 0.00 175.55 175.09 3hae s ALA 97 N -0.94 -1.46 0.04 0.00 0.00 -0.82 -1.48 121.76 117.11 3hae s ALA 97 Ca 0.26 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.16 3hae s ALA 97 Cb -0.18 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3hae s ALA 97 CO 0.15 -0.40 -0.12 0.20 0.00 0.00 0.00 175.76 175.60 3hae s GLY 98 N -1.49 0.67 -0.11 0.00 0.00 -0.12 0.43 107.32 106.71 3hae s GLY 98 Ca -0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 3hae s GLY 98 CO 0.05 -0.76 -0.06 -1.83 0.00 0.00 0.00 173.10 170.49 3hae s GLU 99 N -1.20 3.16 0.45 2.90 -1.05 -0.44 -1.54 118.70 120.98 3hae s GLU 99 Ca -0.01 -0.55 0.25 0.00 -0.15 0.00 0.00 54.97 54.51 3hae s GLU 99 Cb -0.08 -2.72 0.90 0.00 -0.44 0.00 0.00 34.13 31.79 3hae s GLU 99 CO 0.01 0.46 1.81 1.25 0.95 0.00 0.00 175.26 179.75 3hae h LEU 100 N 5.93 0.00 -7.26 1.83 5.85 -1.85 -2.49 115.31 117.33 3hae h LEU 100 Ca -0.40 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 3hae h LEU 100 Cb 1.18 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.02 3hae h LEU 100 CO 0.57 0.18 -0.04 -0.76 -0.34 0.00 0.00 178.44 178.04 3hae s LEU 101 N -6.57 0.11 0.23 2.25 1.43 -1.26 -4.82 118.68 110.04 3hae s LEU 101 Ca 0.02 0.39 -0.32 0.00 -1.03 0.00 0.00 54.13 53.19 3hae s LEU 101 Cb 0.09 1.90 -0.12 0.00 0.03 0.00 0.00 46.19 48.09 3hae s LEU 101 CO 0.63 -0.53 1.67 -2.65 0.23 0.00 0.00 176.35 175.70 3hae n PRO 102 N 1.07 2.71 -0.97 1.29 -0.02 -1.26 -2.39 135.00 135.43 3hae n PRO 102 Ca -0.20 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3hae n PRO 102 Cb 0.57 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3hae n PRO 102 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hae n TYR 103 N 3.34 0.00 0.07 6.00 4.01 -1.26 -4.89 117.16 124.43 3hae n TYR 103 Ca 0.14 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.85 3hae n TYR 103 Cb 0.35 -0.14 0.21 0.00 -0.31 0.00 0.00 39.34 39.45 3hae n TYR 103 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3hae h TYR 104 N 0.00 0.38 0.00 -0.72 3.20 -1.89 -3.49 116.97 114.46 3hae h TYR 104 Ca 0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3hae h TYR 104 Cb 0.02 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3hae h TYR 104 CO 0.02 0.66 0.00 0.41 -1.64 0.00 0.00 178.16 177.61 3hae n GLY 105 N -0.23 2.08 3.48 1.82 0.00 -1.26 -4.95 105.19 106.13 3hae n GLY 105 Ca -0.01 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3hae n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hae s MET 106 N -2.68 3.22 0.00 1.61 1.75 -1.26 -4.40 119.30 117.54 3hae s MET 106 Ca 0.00 -0.59 0.11 0.00 -1.25 0.00 0.00 55.69 53.96 3hae s MET 106 Cb 0.00 -4.08 0.30 0.00 2.84 0.00 0.00 34.83 33.88 3hae s MET 106 CO 0.00 -1.38 1.24 -0.40 -0.65 0.00 0.00 175.02 173.82 3hae n ASP 107 N 6.88 2.88 -3.79 1.11 5.75 -0.59 -4.92 116.55 123.87 3hae n ASP 107 Ca -0.02 -1.97 -0.21 0.00 -0.01 0.00 0.00 54.79 52.58 3hae n ASP 107 Cb 0.46 -0.22 -0.17 0.00 -1.03 0.00 0.00 41.12 40.16 3hae n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hae s VAL 108 N -1.00 0.30 0.05 2.12 1.01 -0.97 -4.98 120.40 116.93 3hae s VAL 108 Ca 0.23 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.38 3hae s VAL 108 Cb 0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3hae s VAL 108 CO 0.16 0.21 -0.18 0.26 0.00 0.00 0.00 175.10 175.56 3hae s TRP 109 N 1.56 1.53 0.16 5.22 0.52 -1.26 -0.94 118.94 125.72 3hae s TRP 109 Ca -0.02 -0.38 -0.01 0.00 0.02 0.00 0.00 56.10 55.71 3hae s TRP 109 Cb -0.13 -0.89 0.03 0.00 -1.15 0.00 0.00 33.47 31.33 3hae s TRP 109 CO -0.03 0.09 0.22 0.41 0.02 0.00 0.00 176.95 177.65 3hae n GLY 110 N 1.68 -0.05 0.11 0.98 0.00 -0.55 -4.43 105.19 102.92 3hae n GLY 110 Ca -0.18 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.04 3hae n GLY 110 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3hae h GLN 111 N 0.00 0.00 0.00 1.61 -0.00 -1.90 -3.46 115.11 111.36 3hae h GLN 111 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 3hae h GLN 111 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 3hae h GLN 111 CO 0.06 0.18 0.00 0.41 -0.00 0.00 0.00 178.83 179.48 3hae n GLY 112 N 1.30 2.49 3.17 0.06 0.00 -1.26 -4.98 105.19 105.96 3hae n GLY 112 Ca -0.05 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 3hae n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hae s THR 113 N -2.28 0.04 -0.17 2.61 -1.32 -0.04 -4.69 115.64 109.79 3hae s THR 113 Ca 0.00 -0.29 -0.11 0.00 -1.21 0.00 0.00 61.69 60.08 3hae s THR 113 Cb 0.00 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.49 3hae s THR 113 CO 0.00 -0.16 0.19 -0.89 -2.21 0.00 0.00 174.62 171.55 3hae s THR 114 N -0.63 5.38 -0.17 5.08 2.01 -1.26 0.90 115.64 126.95 3hae s THR 114 Ca -0.07 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.27 3hae s THR 114 Cb -0.04 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.97 3hae s THR 114 CO 0.02 0.45 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.52 3hae s VAL 115 N 0.16 1.92 -0.24 3.82 1.01 0.14 -0.41 120.40 126.81 3hae s VAL 115 Ca 0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3hae s VAL 115 Cb -0.12 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3hae s VAL 115 CO 0.01 0.52 -0.06 -0.89 0.00 0.00 0.00 175.10 174.68 3hae s THR 116 N 1.29 2.94 -0.58 3.92 2.01 -0.45 -1.13 115.64 123.64 3hae s THR 116 Ca 0.04 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 3hae s THR 116 Cb -0.13 -2.44 0.11 0.00 0.01 0.00 0.00 72.50 70.04 3hae s THR 116 CO -0.11 0.27 0.65 -0.69 -0.69 0.00 0.00 174.62 174.05 3hae s VAL 117 N 1.36 4.92 -0.04 3.82 1.01 -1.25 -0.46 120.40 129.76 3hae s VAL 117 Ca 0.02 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 3hae s VAL 117 Cb -0.16 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.79 3hae s VAL 117 CO -0.05 -1.06 0.28 -0.55 0.00 0.00 0.00 175.10 173.72 3hae s SER 118 N 3.61 -0.19 0.00 3.32 0.15 0.15 -4.65 113.70 116.08 3hae s SER 118 Ca 0.09 0.17 0.29 0.00 0.70 0.00 0.00 55.95 57.20 3hae s SER 118 Cb -0.26 0.37 1.23 0.00 -1.71 0.00 0.00 66.02 65.66 3hae s SER 118 CO 0.05 -0.34 1.85 -1.54 1.20 0.00 0.00 173.24 174.46 3hae n SER 119 N 1.73 0.63 -4.82 5.45 3.41 -1.26 -3.69 113.62 115.06 3hae n SER 119 Ca -0.19 -0.79 -0.33 0.00 -0.26 0.00 0.00 58.87 57.30 3hae n SER 119 Cb 0.56 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 3hae n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hae s ALA 120 N -2.35 3.01 0.48 7.33 0.00 -1.26 -5.05 121.76 123.92 3hae s ALA 120 Ca 0.32 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.45 3hae s ALA 120 Cb 0.20 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 3hae s ALA 120 CO 0.45 -0.09 0.97 -1.54 0.00 0.00 0.00 175.76 175.55 3hae s SER 121 N -2.49 6.73 0.47 0.00 1.04 -1.26 -4.98 113.70 113.21 3hae s SER 121 Ca 0.62 1.61 -0.25 0.00 0.48 0.00 0.00 55.95 58.41 3hae s SER 121 Cb -0.10 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 3hae s SER 121 CO 0.21 -0.51 1.43 0.28 0.98 0.00 0.00 173.24 175.63 3hae s THR 122 N -2.47 2.02 -0.01 2.02 -1.32 -1.26 -4.84 115.64 109.78 3hae s THR 122 Ca 0.60 0.02 0.04 0.00 -1.21 0.00 0.00 61.69 61.14 3hae s THR 122 Cb -0.10 -3.01 -0.01 0.00 -1.51 0.00 0.00 72.50 67.87 3hae s THR 122 CO 0.25 0.00 -0.14 -0.75 -2.21 0.00 0.00 174.62 171.77 3hae s LYS 123 N -2.54 1.16 -0.00 7.08 2.20 -0.17 -4.93 119.74 122.54 3hae s LYS 123 Ca 0.63 -0.53 -0.06 0.00 -0.36 0.00 0.00 55.97 55.65 3hae s LYS 123 Cb -0.44 -1.12 -0.05 0.00 -1.51 0.00 0.00 37.83 34.71 3hae s LYS 123 CO 0.56 0.31 0.25 0.20 -0.36 0.00 0.00 175.35 176.31 3hae s GLY 124 N -0.38 2.24 0.67 5.54 0.00 -1.26 -0.38 107.32 113.75 3hae s GLY 124 Ca 0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 3hae s GLY 124 CO -0.00 -0.41 1.06 2.56 0.00 0.00 0.00 173.10 176.30 3hae s PRO 125 N -1.73 3.14 0.06 2.90 0.04 -1.23 -4.68 135.00 133.51 3hae s PRO 125 Ca 0.27 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 3hae s PRO 125 Cb -0.13 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 3hae s PRO 125 CO 0.16 -0.89 0.54 -1.12 0.04 0.00 0.00 177.00 175.72 3hae s SER 126 N -4.11 7.00 -0.24 6.66 0.01 0.94 -4.86 113.70 119.10 3hae s SER 126 Ca 0.57 1.19 -0.05 0.00 1.31 0.00 0.00 55.95 58.98 3hae s SER 126 Cb -0.12 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.77 3hae s SER 126 CO 0.54 0.28 -0.01 -0.69 0.41 0.00 0.00 173.24 173.77 3hae s VAL 127 N -1.12 3.53 0.19 3.43 1.01 -1.26 -0.14 120.40 126.04 3hae s VAL 127 Ca 0.28 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3hae s VAL 127 Cb -0.19 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3hae s VAL 127 CO 0.18 0.31 0.03 -0.36 0.00 0.00 0.00 175.10 175.27 3hae s PHE 128 N 1.48 2.88 -0.14 5.22 0.08 0.19 -4.97 117.98 122.72 3hae s PHE 128 Ca 0.04 -0.13 -0.16 0.00 0.12 0.00 0.00 56.93 56.80 3hae s PHE 128 Cb -0.15 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 3hae s PHE 128 CO -0.02 0.53 0.39 -1.25 -0.10 0.00 0.00 175.22 174.78 3hae s PRO 129 N -3.15 4.30 -0.78 0.24 0.04 -1.26 -0.70 135.00 133.68 3hae s PRO 129 Ca 0.29 0.28 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 3hae s PRO 129 Cb -0.09 -3.44 0.07 0.00 0.04 0.00 0.00 34.50 31.09 3hae s PRO 129 CO 0.20 0.18 1.12 -0.51 0.04 0.00 0.00 177.00 178.04 3hae s LEU 130 N 0.59 4.19 0.13 -3.56 1.43 0.25 -4.88 118.68 116.83 3hae s LEU 130 Ca 0.21 -1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 51.81 3hae s LEU 130 Cb -0.14 -2.46 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 3hae s LEU 130 CO 0.07 -1.44 1.79 0.00 0.23 0.00 0.00 176.35 177.00 3hae s ALA 131 N 4.19 3.79 0.17 4.21 0.00 -1.26 -0.93 121.76 131.93 3hae s ALA 131 Ca 0.30 1.45 -0.32 0.00 0.00 0.00 0.00 51.96 53.39 3hae s ALA 131 Cb -0.10 -3.74 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 3hae s ALA 131 CO 0.04 -1.15 1.61 -2.14 0.00 0.00 0.00 175.76 174.11 3hae s PRO 132 N 2.41 4.19 0.00 0.00 0.02 -1.26 -4.92 135.00 135.45 3hae s PRO 132 Ca 0.79 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.23 3hae s PRO 132 Cb -0.46 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 30.92 3hae s PRO 132 CO 0.35 -0.64 0.00 0.45 -0.33 0.00 0.00 177.00 176.83 3hae n SER 133 N 3.99 -1.26 -0.35 2.53 2.88 -1.25 -4.48 113.62 115.68 3hae n SER 133 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 3hae n SER 133 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 3hae n SER 133 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3hae n SER 134 N -1.89 0.00 -0.07 -3.46 3.41 -1.26 -4.94 113.62 105.41 3hae n SER 134 Ca 0.00 -1.37 -0.08 0.00 -0.26 0.00 0.00 58.87 57.17 3hae n SER 134 Cb 0.00 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3hae n SER 134 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hae n LYS 135 N 0.00 0.44 0.00 4.33 4.01 -1.26 -4.30 118.16 121.38 3hae n LYS 135 Ca 0.00 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 3hae n LYS 135 Cb 0.57 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.82 3hae n LYS 135 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3hae n SER 136 N -4.22 0.00 -0.63 4.39 3.41 -1.26 -2.19 113.62 113.11 3hae n SER 136 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3hae n SER 136 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hae n SER 136 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hae n THR 137 N -0.88 0.00 0.00 6.66 -1.04 -1.26 -3.81 114.28 113.95 3hae n THR 137 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hae n THR 137 Cb 0.41 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 3hae n THR 137 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3hae n SER 138 N 0.40 0.00 -3.82 8.00 7.64 -0.93 -4.95 113.62 119.96 3hae n SER 138 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3hae n SER 138 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 3hae n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hae n GLY 139 N 5.00 -0.32 1.83 0.23 0.00 -1.25 -4.05 105.19 106.63 3hae n GLY 139 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.01 3hae n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 140 N 5.96 0.26 3.37 -0.02 0.00 -1.26 -4.86 105.19 108.63 3hae n GLY 140 Ca 0.54 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 3hae n GLY 140 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hae s THR 141 N 1.18 2.22 -0.02 2.61 -1.32 -1.25 -2.31 115.64 116.75 3hae s THR 141 Ca 0.00 -1.48 0.06 0.00 -1.21 0.00 0.00 61.69 59.06 3hae s THR 141 Cb 0.00 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 3hae s THR 141 CO 0.00 0.29 -0.20 0.00 -2.21 0.00 0.00 174.62 172.49 3hae s ALA 142 N -0.89 2.43 -0.14 11.08 0.00 0.01 -4.32 121.76 129.93 3hae s ALA 142 Ca 0.13 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3hae s ALA 142 Cb -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3hae s ALA 142 CO 0.03 0.55 -0.10 0.00 0.00 0.00 0.00 175.76 176.24 3hae s ALA 143 N -0.71 2.76 0.12 0.00 0.00 -1.26 -0.55 121.76 122.11 3hae s ALA 143 Ca 0.11 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3hae s ALA 143 Cb -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3hae s ALA 143 CO 0.01 0.25 -0.01 -0.48 0.00 0.00 0.00 175.76 175.52 3hae s LEU 144 N 0.31 2.23 0.00 0.00 0.05 -1.03 -3.82 118.68 116.41 3hae s LEU 144 Ca -0.08 -1.10 -0.13 0.00 0.05 0.00 0.00 54.13 52.88 3hae s LEU 144 Cb -0.15 0.06 0.05 0.00 -2.05 0.00 0.00 46.19 44.10 3hae s LEU 144 CO 0.05 -0.58 0.62 0.61 -0.55 0.00 0.00 176.35 176.50 3hae n GLY 145 N -0.09 1.00 3.00 -3.48 0.00 -0.10 -1.98 105.19 103.54 3hae n GLY 145 Ca -0.09 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 3hae n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hae s LEU 147 N 1.46 4.21 -0.53 0.00 2.96 0.12 -2.39 118.68 124.52 3hae s LEU 147 Ca 0.03 0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3hae s LEU 147 Cb -0.13 -2.57 0.14 0.00 0.50 0.00 0.00 46.19 44.12 3hae s LEU 147 CO -0.09 -0.03 0.31 -0.69 -1.32 0.00 0.00 176.35 174.53 3hae s VAL 148 N 0.96 3.19 -0.27 1.68 1.01 -0.08 -0.64 120.40 126.26 3hae s VAL 148 Ca 0.22 -2.82 -0.10 0.00 0.00 0.00 0.00 61.98 59.27 3hae s VAL 148 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3hae s VAL 148 CO 0.08 -0.79 0.17 -0.75 0.00 0.00 0.00 175.10 173.81 3hae s LYS 149 N 0.20 3.94 -0.21 2.72 2.47 0.80 -2.04 119.74 127.62 3hae s LYS 149 Ca 0.15 -0.33 -0.03 0.00 -1.56 0.00 0.00 55.97 54.20 3hae s LYS 149 Cb -0.22 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 3hae s LYS 149 CO -0.03 -0.13 0.10 -0.25 0.16 0.00 0.00 175.35 175.19 3hae n ASP 150 N 4.90 -5.72 -3.92 1.43 8.00 -0.91 -0.04 116.55 120.29 3hae n ASP 150 Ca -0.14 0.74 -0.09 0.00 0.71 0.00 0.00 54.79 56.00 3hae n ASP 150 Cb 0.52 -3.69 -0.07 0.00 -0.02 0.00 0.00 41.12 37.86 3hae n ASP 150 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hae s TYR 151 N -1.27 0.31 -0.25 1.24 1.13 -0.47 -3.50 117.35 114.54 3hae s TYR 151 Ca 0.04 -0.69 -0.22 0.00 -1.41 0.00 0.00 57.07 54.80 3hae s TYR 151 Cb -0.01 -0.03 0.07 0.00 -1.10 0.00 0.00 41.96 40.88 3hae s TYR 151 CO 0.48 -0.69 0.66 0.12 -2.51 0.00 0.00 175.55 173.62 3hae s PHE 152 N -3.94 -0.78 0.00 -3.49 5.36 0.49 -1.00 117.98 114.62 3hae s PHE 152 Ca 0.14 1.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 3hae s PHE 152 Cb 0.03 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 3hae s PHE 152 CO -0.03 -0.38 0.00 -0.35 -1.46 0.00 0.00 175.22 173.00 3hae n PRO 153 N 3.03 1.91 -1.17 10.12 -0.04 -1.26 -1.00 135.00 146.59 3hae n PRO 153 Ca -0.15 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 3hae n PRO 153 Cb 0.56 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.15 3hae n PRO 153 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hae s GLU 154 N 0.88 1.41 0.53 0.54 0.41 -1.26 -4.73 118.70 116.48 3hae s GLU 154 Ca 0.00 0.94 0.05 0.00 -0.41 0.00 0.00 54.97 55.55 3hae s GLU 154 Cb 0.00 -1.82 0.04 0.00 -1.78 0.00 0.00 34.13 30.58 3hae s GLU 154 CO 0.00 -2.17 0.73 -1.25 -0.49 0.00 0.00 175.26 172.08 3hae s PRO 155 N -4.90 2.51 0.26 0.39 0.04 -1.26 -4.94 135.00 127.10 3hae s PRO 155 Ca 0.63 -1.10 0.09 0.00 0.04 0.00 0.00 61.00 60.65 3hae s PRO 155 Cb -0.18 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3hae s PRO 155 CO 0.57 -0.66 0.08 0.08 0.04 0.00 0.00 177.00 177.10 3hae s VAL 156 N -2.65 3.84 -0.20 -0.36 1.01 -1.26 -4.69 120.40 116.09 3hae s VAL 156 Ca 0.58 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.85 3hae s VAL 156 Cb -0.09 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.27 3hae s VAL 156 CO 0.37 -0.36 -0.08 -0.89 0.00 0.00 0.00 175.10 174.14 3hae s THR 157 N -2.25 1.45 -0.12 3.92 2.01 0.83 -4.99 115.64 116.49 3hae s THR 157 Ca 0.32 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.41 3hae s THR 157 Cb -0.07 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.85 3hae s THR 157 CO 0.22 0.10 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.36 3hae s VAL 158 N 1.47 1.89 0.09 3.82 1.01 -1.26 0.65 120.40 128.07 3hae s VAL 158 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3hae s VAL 158 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3hae s VAL 158 CO -0.08 0.52 -0.06 -0.94 0.00 0.00 0.00 175.10 174.54 3hae s SER 159 N 0.76 1.09 0.00 3.32 1.04 -0.65 -5.01 113.70 114.25 3hae s SER 159 Ca -0.10 -0.99 0.05 0.00 0.48 0.00 0.00 55.95 55.40 3hae s SER 159 Cb -0.16 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 3hae s SER 159 CO 0.00 -0.46 -0.16 0.26 0.98 0.00 0.00 173.24 173.87 3hae s TRP 160 N -3.55 2.64 -1.09 5.02 0.52 -1.26 -1.09 118.94 120.14 3hae s TRP 160 Ca 0.11 -0.20 -0.14 0.00 0.02 0.00 0.00 56.10 55.88 3hae s TRP 160 Cb 0.05 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 3hae s TRP 160 CO -0.05 0.23 0.85 0.09 0.02 0.00 0.00 176.95 178.09 3hae n ASN 161 N 1.84 -5.97 -1.28 2.95 3.02 -0.03 -0.36 115.26 115.43 3hae n ASN 161 Ca -0.16 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 3hae n ASN 161 Cb 0.52 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 3hae n ASN 161 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hae n SER 162 N -2.89 0.00 0.00 6.41 3.41 -1.26 0.06 113.62 119.35 3hae n SER 162 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3hae n SER 162 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3hae n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 163 N -0.28 2.66 0.31 5.00 0.00 0.51 -4.87 105.19 108.52 3hae n GLY 163 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 3hae n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hae h ALA 164 N 0.00 1.05 -3.03 4.61 0.00 -0.07 -3.42 119.26 118.40 3hae h ALA 164 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 3hae h ALA 164 Cb 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 3hae h ALA 164 CO 0.00 0.02 -0.55 -1.17 0.00 0.00 0.00 179.25 177.54 3hae s LEU 165 N -6.35 3.96 0.00 0.00 2.96 -0.84 -4.91 118.68 113.49 3hae s LEU 165 Ca -0.03 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3hae s LEU 165 Cb 0.12 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.86 3hae s LEU 165 CO 0.47 0.36 0.00 0.41 -1.32 0.00 0.00 176.35 176.28 3hae n THR 166 N 2.28 0.00 -2.77 3.68 -1.04 -1.26 -4.37 114.28 110.81 3hae n THR 166 Ca -0.19 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 3hae n THR 166 Cb 0.54 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.01 3hae n THR 166 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3hae s SER 167 N -0.20 6.51 -0.04 8.00 0.15 -1.26 -3.70 113.70 123.16 3hae s SER 167 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 3hae s SER 167 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3hae s SER 167 CO 0.00 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 173.93 3hae n GLY 168 N 4.93 0.47 3.70 9.45 0.00 -1.26 -4.85 105.19 117.64 3hae n GLY 168 Ca 0.07 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3hae n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 169 N -1.96 4.50 -0.17 1.61 1.01 -1.24 -2.16 120.40 121.98 3hae s VAL 169 Ca 0.00 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.78 3hae s VAL 169 Cb 0.00 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3hae s VAL 169 CO 0.00 0.09 -0.18 -2.28 0.00 0.00 0.00 175.10 172.73 3hae s HIS 170 N 1.41 2.77 -0.23 5.22 2.46 -0.01 -4.96 115.29 121.94 3hae s HIS 170 Ca 0.54 -1.44 -0.07 0.00 0.47 0.00 0.00 55.06 54.57 3hae s HIS 170 Cb -0.24 -1.91 -0.03 0.00 -0.13 0.00 0.00 32.58 30.28 3hae s HIS 170 CO 0.26 -0.70 0.05 0.99 -2.47 0.00 0.00 174.74 172.87 3hae s THR 171 N 1.13 4.25 0.23 0.89 2.01 -1.26 0.94 115.64 123.84 3hae s THR 171 Ca 0.01 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 61.64 3hae s THR 171 Cb -0.14 -2.96 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 3hae s THR 171 CO -0.08 0.38 0.68 -0.36 -0.69 0.00 0.00 174.62 174.55 3hae s PHE 172 N 1.31 3.56 0.45 4.92 0.40 0.25 -4.95 117.98 123.91 3hae s PHE 172 Ca 0.05 1.24 -0.22 0.00 -0.60 0.00 0.00 56.93 57.40 3hae s PHE 172 Cb -0.15 -2.52 -0.11 0.00 0.51 0.00 0.00 43.02 40.75 3hae s PHE 172 CO 0.03 0.29 0.66 -2.30 0.70 0.00 0.00 175.22 174.60 3hae n PRO 173 N 0.42 0.74 -2.22 0.24 -0.02 -1.26 -4.45 135.00 128.45 3hae n PRO 173 Ca -0.01 0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 3hae n PRO 173 Cb 0.52 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.30 3hae n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hae s ALA 174 N -1.47 2.96 0.02 3.55 0.00 -1.26 -4.76 121.76 120.79 3hae s ALA 174 Ca 0.65 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 3hae s ALA 174 Cb -0.56 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3hae s ALA 174 CO 0.57 -0.47 0.14 0.54 0.00 0.00 0.00 175.76 176.53 3hae s VAL 175 N -2.64 5.06 -0.53 0.00 0.11 0.37 -4.92 120.40 117.84 3hae s VAL 175 Ca 0.60 -0.37 -0.12 0.00 -2.93 0.00 0.00 61.98 59.16 3hae s VAL 175 Cb -0.12 -3.38 0.13 0.00 -1.53 0.00 0.00 36.38 31.49 3hae s VAL 175 CO 0.36 0.27 0.44 -0.22 -3.33 0.00 0.00 175.10 172.62 3hae s LEU 176 N -2.03 5.96 1.11 2.54 2.96 -1.26 -1.52 118.68 126.44 3hae s LEU 176 Ca 0.27 -1.97 -0.12 0.00 -0.22 0.00 0.00 54.13 52.10 3hae s LEU 176 Cb -0.12 -2.10 0.26 0.00 0.50 0.00 0.00 46.19 44.72 3hae s LEU 176 CO 0.19 -0.74 1.06 -1.10 -1.32 0.00 0.00 176.35 174.44 3hae s GLN 177 N 1.30 -0.55 0.52 1.98 -0.21 -0.34 -4.92 119.66 117.44 3hae s GLN 177 Ca 0.06 1.07 0.28 0.00 0.02 0.00 0.00 55.36 56.78 3hae s GLN 177 Cb -0.26 -1.58 1.45 0.00 1.00 0.00 0.00 33.01 33.61 3hae s GLN 177 CO -0.00 -3.54 2.07 0.77 -2.12 0.00 0.00 175.29 172.46 3hae h SER 178 N -2.50 0.00 0.14 5.90 0.02 -1.98 -2.71 113.55 112.42 3hae h SER 178 Ca -0.57 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 3hae h SER 178 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3hae h SER 178 CO 0.47 0.12 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 3hae n SER 179 N -3.61 0.00 -0.03 3.07 3.41 -1.26 -4.80 113.62 110.40 3hae n SER 179 Ca -0.02 -0.03 -0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3hae n SER 179 Cb 0.24 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3hae n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 180 N -0.34 0.43 3.68 5.00 0.00 -1.02 -5.04 105.19 107.90 3hae n GLY 180 Ca 0.06 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3hae n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hae s LEU 181 N -0.09 3.47 0.16 0.99 1.43 -1.26 -4.92 118.68 118.46 3hae s LEU 181 Ca 0.00 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3hae s LEU 181 Cb 0.00 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 3hae s LEU 181 CO 0.00 0.21 0.41 -0.31 0.23 0.00 0.00 176.35 176.88 3hae s TYR 182 N -1.24 3.47 0.03 0.29 2.02 -0.17 -1.20 117.35 120.55 3hae s TYR 182 Ca 0.24 0.61 -0.12 0.00 -0.37 0.00 0.00 57.07 57.44 3hae s TYR 182 Cb -0.12 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.41 3hae s TYR 182 CO 0.16 0.41 0.25 -1.54 -1.57 0.00 0.00 175.55 173.26 3hae s SER 183 N -2.40 -0.06 0.16 2.29 1.04 -0.58 -1.36 113.70 112.78 3hae s SER 183 Ca 0.42 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 3hae s SER 183 Cb -0.12 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 3hae s SER 183 CO 0.24 -0.55 0.13 -1.48 0.98 0.00 0.00 173.24 172.55 3hae s LEU 184 N -1.93 1.42 -0.01 2.42 0.05 -0.87 -0.48 118.68 119.28 3hae s LEU 184 Ca -0.07 -1.19 0.04 0.00 0.05 0.00 0.00 54.13 52.96 3hae s LEU 184 Cb -0.02 0.53 -0.01 0.00 -2.05 0.00 0.00 46.19 44.64 3hae s LEU 184 CO -0.02 -0.80 -0.12 -0.44 -0.55 0.00 0.00 176.35 174.42 3hae s SER 185 N -3.06 1.43 -0.12 1.48 0.01 -1.26 -0.90 113.70 111.26 3hae s SER 185 Ca 0.27 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.30 3hae s SER 185 Cb 0.06 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 3hae s SER 185 CO 0.04 0.15 -0.08 -0.55 0.41 0.00 0.00 173.24 173.21 3hae s SER 186 N -0.26 4.47 -0.05 2.44 0.15 -1.00 0.84 113.70 120.29 3hae s SER 186 Ca 0.04 -0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 3hae s SER 186 Cb -0.05 -1.56 0.03 0.00 -1.71 0.00 0.00 66.02 62.73 3hae s SER 186 CO -0.00 0.22 0.03 0.68 1.20 0.00 0.00 173.24 175.37 3hae s VAL 187 N 0.07 0.06 -0.25 4.45 -7.23 0.27 -0.86 120.40 116.91 3hae s VAL 187 Ca -0.02 0.29 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 3hae s VAL 187 Cb -0.14 -0.26 -0.05 0.00 0.56 0.00 0.00 36.38 36.49 3hae s VAL 187 CO 0.03 0.19 0.16 0.54 -0.31 0.00 0.00 175.10 175.71 3hae s VAL 188 N 1.90 5.26 -0.07 1.32 0.11 -0.84 -0.83 120.40 127.25 3hae s VAL 188 Ca 0.02 0.15 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 3hae s VAL 188 Cb -0.12 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 3hae s VAL 188 CO -0.03 0.33 0.58 0.28 -3.33 0.00 0.00 175.10 172.92 3hae s THR 189 N 1.24 5.06 0.01 5.04 -1.32 -0.92 -2.47 115.64 122.29 3hae s THR 189 Ca 0.07 1.20 -0.12 0.00 -1.21 0.00 0.00 61.69 61.63 3hae s THR 189 Cb -0.14 -3.92 0.01 0.00 -1.51 0.00 0.00 72.50 66.94 3hae s THR 189 CO 0.06 0.33 0.25 0.68 -2.21 0.00 0.00 174.62 173.73 3hae s VAL 190 N 0.42 0.08 0.08 5.08 -7.23 0.28 -4.70 120.40 114.42 3hae s VAL 190 Ca 0.31 -0.65 -0.19 0.00 -1.81 0.00 0.00 61.98 59.64 3hae s VAL 190 Cb -0.17 -0.71 -0.11 0.00 0.56 0.00 0.00 36.38 35.95 3hae s VAL 190 CO 0.15 -0.36 0.41 -2.65 -0.31 0.00 0.00 175.10 172.34 3hae n PRO 191 N 1.03 0.00 0.01 4.82 -0.02 -1.26 -0.81 135.00 138.77 3hae n PRO 191 Ca -0.21 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.09 3hae n PRO 191 Cb 0.57 -0.69 -0.09 0.00 -0.02 0.00 0.00 33.50 33.28 3hae n PRO 191 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hae h SER 192 N 0.96 0.91 -0.50 2.55 0.02 -1.77 -3.14 113.55 112.59 3hae h SER 192 Ca -0.21 -0.69 0.14 0.00 -0.84 0.00 0.00 61.79 60.20 3hae h SER 192 Cb 0.86 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3hae h SER 192 CO 0.35 1.46 0.46 0.77 -1.14 0.00 0.00 176.83 178.74 3hae h SER 193 N 0.44 0.00 0.14 3.07 4.64 -1.89 -1.62 113.55 118.32 3hae h SER 193 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3hae h SER 193 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3hae h SER 193 CO 0.18 0.00 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.57 3hae n SER 194 N -3.90 0.46 0.24 4.97 3.41 -1.18 -3.82 113.62 113.80 3hae n SER 194 Ca 0.09 -0.93 0.17 0.00 -0.26 0.00 0.00 58.87 57.94 3hae n SER 194 Cb 0.66 -0.04 0.83 0.00 -0.26 0.00 0.00 64.21 65.40 3hae n SER 194 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hae h LEU 195 N 0.68 0.00 -2.51 1.04 4.07 -1.46 0.55 115.31 117.68 3hae h LEU 195 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hae h LEU 195 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3hae h LEU 195 CO 0.00 0.00 -0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3hae n GLY 196 N -0.82 1.55 0.00 0.83 0.00 -1.25 -4.68 105.19 100.81 3hae n GLY 196 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3hae n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hae n THR 197 N -0.38 0.00 -4.27 2.61 -2.24 -0.96 -5.04 114.28 103.99 3hae n THR 197 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 3hae n THR 197 Cb 0.31 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 3hae n THR 197 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3hae s GLN 198 N -1.76 2.14 -0.14 -0.78 2.00 0.19 -5.07 119.66 116.24 3hae s GLN 198 Ca 0.00 -1.01 0.02 0.00 -2.00 0.00 0.00 55.36 52.38 3hae s GLN 198 Cb 0.00 -2.31 0.01 0.00 0.80 0.00 0.00 33.01 31.51 3hae s GLN 198 CO 0.00 0.52 -0.21 -0.08 -0.50 0.00 0.00 175.29 175.02 3hae s THR 199 N -1.18 1.98 -0.51 -0.34 -1.32 -1.26 -4.63 115.64 108.37 3hae s THR 199 Ca 0.21 -0.93 -0.04 0.00 -1.21 0.00 0.00 61.69 59.72 3hae s THR 199 Cb -0.11 -1.76 0.13 0.00 -1.51 0.00 0.00 72.50 69.26 3hae s THR 199 CO 0.13 0.53 0.32 -0.31 -2.21 0.00 0.00 174.62 173.08 3hae s TYR 200 N 0.87 3.50 -0.06 9.09 2.02 -1.25 -4.97 117.35 126.55 3hae s TYR 200 Ca -0.06 -2.49 -0.03 0.00 -0.37 0.00 0.00 57.07 54.12 3hae s TYR 200 Cb -0.15 -3.25 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 3hae s TYR 200 CO -0.03 -0.92 0.08 0.42 -1.57 0.00 0.00 175.55 173.53 3hae s ILE 201 N 0.65 4.86 0.02 2.71 1.01 -1.26 -1.01 121.20 128.18 3hae s ILE 201 Ca 0.12 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.66 3hae s ILE 201 Cb -0.22 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3hae s ILE 201 CO -0.04 0.50 -0.20 0.00 0.00 0.00 0.00 174.94 175.21 3hae s ASN 203 N -1.18 4.84 -0.23 0.00 -0.87 -0.25 0.02 114.94 117.27 3hae s ASN 203 Ca 0.13 -1.51 -0.08 0.00 -1.57 0.00 0.00 52.86 49.84 3hae s ASN 203 Cb -0.10 -1.69 -0.03 0.00 -0.02 0.00 0.00 41.25 39.41 3hae s ASN 203 CO 0.03 -0.30 0.08 -0.69 -2.57 0.00 0.00 177.10 173.65 3hae s VAL 204 N 1.16 4.52 -0.12 1.60 1.01 -0.10 -1.64 120.40 126.83 3hae s VAL 204 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3hae s VAL 204 Cb -0.20 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.10 3hae s VAL 204 CO -0.03 0.37 -0.18 0.21 0.00 0.00 0.00 175.10 175.47 3hae s ASN 205 N 1.25 2.69 -0.26 3.32 2.47 0.21 -1.35 114.94 123.27 3hae s ASN 205 Ca 0.05 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 52.84 3hae s ASN 205 Cb -0.14 -1.22 0.07 0.00 -1.45 0.00 0.00 41.25 38.51 3hae s ASN 205 CO 0.04 0.04 0.00 -2.28 -3.72 0.00 0.00 177.10 171.18 3hae s HIS 206 N 0.92 2.27 0.02 0.43 5.65 -0.43 -0.12 115.29 124.04 3hae s HIS 206 Ca -0.07 -1.81 -0.19 0.00 0.25 0.00 0.00 55.06 53.23 3hae s HIS 206 Cb -0.15 -1.72 -0.19 0.00 -1.18 0.00 0.00 32.58 29.34 3hae s HIS 206 CO -0.02 -0.80 1.21 -0.22 -0.65 0.00 0.00 174.74 174.26 3hae h LYS 207 N 7.97 0.43 0.00 2.88 1.63 -1.84 0.54 116.57 128.18 3hae h LYS 207 Ca -0.15 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3hae h LYS 207 Cb 1.06 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 3hae h LYS 207 CO 0.43 0.98 0.11 -2.30 -3.45 0.00 0.00 179.45 175.22 3hae n PRO 208 N -4.33 0.00 0.00 1.90 -0.02 -1.26 0.37 135.00 131.65 3hae n PRO 208 Ca -0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3hae n PRO 208 Cb 0.55 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3hae n PRO 208 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hae n SER 209 N -1.32 0.89 -3.74 2.55 3.41 -1.22 -4.85 113.62 109.33 3hae n SER 209 Ca 0.00 -1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 57.21 3hae n SER 209 Cb 0.11 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3hae n SER 209 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hae n ASN 210 N -0.05 -4.28 -4.70 4.04 4.05 0.16 -4.98 115.26 109.50 3hae n ASN 210 Ca 0.00 -1.02 -0.37 0.00 0.45 0.00 0.00 54.58 53.64 3hae n ASN 210 Cb 0.08 -3.29 -0.07 0.00 1.23 0.00 0.00 39.78 37.72 3hae n ASN 210 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3hae s THR 211 N -3.56 5.27 -0.41 -0.44 2.01 0.15 -5.01 115.64 113.66 3hae s THR 211 Ca 0.38 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.96 3hae s THR 211 Cb -0.14 -3.65 0.14 0.00 0.01 0.00 0.00 72.50 68.85 3hae s THR 211 CO 0.87 0.33 0.23 -0.75 -0.69 0.00 0.00 174.62 174.61 3hae s LYS 212 N 0.84 1.04 -0.09 4.92 2.20 -1.26 -1.31 119.74 126.08 3hae s LYS 212 Ca 0.16 -1.77 -0.11 0.00 -0.36 0.00 0.00 55.97 53.89 3hae s LYS 212 Cb -0.14 -2.00 -0.05 0.00 -1.51 0.00 0.00 37.83 34.13 3hae s LYS 212 CO 0.05 -1.17 0.26 0.08 -0.36 0.00 0.00 175.35 174.21 3hae s VAL 213 N 0.60 5.30 -0.19 4.02 1.01 -0.46 -5.01 120.40 125.68 3hae s VAL 213 Ca 0.18 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3hae s VAL 213 Cb -0.24 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3hae s VAL 213 CO 0.00 0.56 -0.02 -1.81 0.00 0.00 0.00 175.10 173.83 3hae s ASP 214 N -0.71 4.70 -0.17 3.32 1.01 -1.26 -0.92 116.67 122.64 3hae s ASP 214 Ca 0.18 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.22 3hae s ASP 214 Cb -0.14 -1.79 0.04 0.00 1.01 0.00 0.00 42.92 42.04 3hae s ASP 214 CO 0.07 0.09 -0.08 -0.75 0.21 0.00 0.00 175.17 174.70 3hae s LYS 215 N 0.86 1.75 0.03 8.23 2.47 0.10 -4.94 119.74 128.25 3hae s LYS 215 Ca -0.00 -0.62 -0.30 0.00 -1.56 0.00 0.00 55.97 53.49 3hae s LYS 215 Cb -0.14 -2.13 -0.07 0.00 -1.46 0.00 0.00 37.83 34.02 3hae s LYS 215 CO 0.02 -0.39 1.67 0.15 0.16 0.00 0.00 175.35 176.95 3hae s LYS 216 N 1.54 4.19 -0.24 4.03 -0.14 -1.26 -0.19 119.74 127.66 3hae s LYS 216 Ca 0.01 2.30 -0.05 0.00 -1.36 0.00 0.00 55.97 56.87 3hae s LYS 216 Cb -0.15 -3.75 -0.01 0.00 -1.68 0.00 0.00 37.83 32.24 3hae s LYS 216 CO -0.08 -0.78 -0.00 0.08 -0.76 0.00 0.00 175.35 173.81 3hae s VAL 217 N 3.16 3.60 0.01 3.17 1.01 -0.18 -4.82 120.40 126.36 3hae s VAL 217 Ca 0.75 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 3hae s VAL 217 Cb -0.38 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 3hae s VAL 217 CO 0.32 0.33 0.10 -1.83 0.00 0.00 0.00 175.10 174.03 3hae s GLU 218 N 1.49 0.47 1.15 2.72 -1.05 -1.26 -3.85 118.70 118.38 3hae s GLU 218 Ca 0.05 -0.50 -0.16 0.00 -0.15 0.00 0.00 54.97 54.20 3hae s GLU 218 Cb -0.15 0.19 0.18 0.00 -0.44 0.00 0.00 34.13 33.92 3hae s GLU 218 CO -0.01 -0.11 0.40 -0.35 0.95 0.00 0.00 175.26 176.13 3hae n PRO 219 N 1.35 -2.03 0.00 -4.83 -0.04 -1.26 -4.59 135.00 123.60 3hae n PRO 219 Ca -0.22 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 3hae n PRO 219 Cb 0.56 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3hae n PRO 219 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82