#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 4.14 -0.11 2.62 1.01 -1.26 -4.09 120.40 122.71 3hae s VAL 2 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.23 3hae s VAL 2 Cb 0.00 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 3hae s VAL 2 CO 0.00 -0.68 -0.19 -1.58 0.00 0.00 0.00 175.10 172.64 3hae s GLN 3 N 4.39 3.11 0.10 2.72 2.00 -0.10 -5.01 119.66 126.86 3hae s GLN 3 Ca 0.54 -0.80 0.08 0.00 -2.00 0.00 0.00 55.36 53.18 3hae s GLN 3 Cb -0.13 -2.42 -0.03 0.00 0.80 0.00 0.00 33.01 31.23 3hae s GLN 3 CO 0.27 0.23 -0.21 -0.51 -0.50 0.00 0.00 175.29 174.57 3hae s LEU 4 N 0.24 2.29 -0.44 3.68 1.43 -1.26 -1.79 118.68 122.83 3hae s LEU 4 Ca -0.13 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 3hae s LEU 4 Cb -0.16 -0.89 0.17 0.00 0.03 0.00 0.00 46.19 45.34 3hae s LEU 4 CO 0.07 0.07 0.52 -0.22 0.23 0.00 0.00 176.35 177.01 3hae s LEU 5 N -1.83 -0.32 0.52 1.79 2.96 -1.12 -4.40 118.68 116.28 3hae s LEU 5 Ca 0.06 -1.93 -0.22 0.00 -0.22 0.00 0.00 54.13 51.82 3hae s LEU 5 Cb -0.10 0.92 -0.05 0.00 0.50 0.00 0.00 46.19 47.45 3hae s LEU 5 CO 0.04 -0.15 1.27 -1.61 -1.32 0.00 0.00 176.35 174.58 3hae s GLU 6 N 0.93 3.33 0.01 1.98 8.01 -1.26 -3.29 118.70 128.41 3hae s GLU 6 Ca 0.25 2.03 -0.24 0.00 0.01 0.00 0.00 54.97 57.02 3hae s GLU 6 Cb -0.04 -2.26 0.05 0.00 -4.31 0.00 0.00 34.13 27.57 3hae s GLU 6 CO -0.08 -0.98 0.53 0.45 0.01 0.00 0.00 175.26 175.19 3hae s SER 7 N -1.18 -0.46 0.00 -0.19 0.15 0.90 -4.89 113.70 108.04 3hae s SER 7 Ca 0.70 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.65 3hae s SER 7 Cb -0.35 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 3hae s SER 7 CO 0.41 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3hae n GLY 8 N 0.67 0.58 0.00 9.45 0.00 -1.26 -0.82 105.19 113.81 3hae n GLY 8 Ca -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.76 -2.82 0.00 -0.02 0.00 -1.26 -4.52 105.19 93.81 3hae n GLY 9 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 1.62 0.73 3.48 -0.02 0.00 0.18 -4.99 105.19 106.19 3hae n GLY 10 Ca 0.00 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 3.10 -0.01 0.99 2.96 -1.26 0.19 118.68 124.65 3hae s LEU 11 Ca 0.00 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 3hae s LEU 11 Cb 0.00 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3hae s LEU 11 CO 0.00 0.20 0.24 0.54 -1.32 0.00 0.00 176.35 176.01 3hae s VAL 12 N 0.16 0.07 0.44 1.68 0.11 -0.34 -4.96 120.40 117.56 3hae s VAL 12 Ca -0.03 -0.55 -0.22 0.00 -2.93 0.00 0.00 61.98 58.25 3hae s VAL 12 Cb -0.14 -0.54 -0.09 0.00 -1.53 0.00 0.00 36.38 34.08 3hae s VAL 12 CO 0.03 -0.30 1.05 -1.10 -3.33 0.00 0.00 175.10 171.45 3hae s GLN 13 N -1.32 3.98 -0.03 1.54 -0.21 -1.23 -0.84 119.66 121.55 3hae s GLN 13 Ca -0.14 1.45 -0.35 0.00 0.02 0.00 0.00 55.36 56.35 3hae s GLN 13 Cb -0.06 -2.33 -0.13 0.00 1.00 0.00 0.00 33.01 31.49 3hae s GLN 13 CO 0.03 -0.30 1.74 -2.30 -2.12 0.00 0.00 175.29 172.35 3hae n PRO 14 N -0.51 1.99 0.00 2.91 -0.02 -1.26 -0.29 135.00 137.82 3hae n PRO 14 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3hae n PRO 14 Cb 0.51 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.97 1.87 3.69 -1.23 0.00 0.47 -4.98 105.19 109.00 3hae n GLY 15 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.25 -1.07 3.25 -0.02 0.00 0.60 -3.57 105.19 103.13 3hae n GLY 16 Ca 0.00 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 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 -5.50 2.27 0.01 1.61 0.01 -1.26 -2.32 113.70 108.52 3hae s SER 17 Ca 0.70 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 57.33 3hae s SER 17 Cb -0.02 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 3hae s SER 17 CO 0.49 0.03 -0.04 -0.76 0.41 0.00 0.00 173.24 173.36 3hae s LEU 18 N -1.78 2.10 -1.02 2.44 1.02 -0.72 -5.01 118.68 115.71 3hae s LEU 18 Ca 0.04 -0.24 -0.05 0.00 0.02 0.00 0.00 54.13 53.89 3hae s LEU 18 Cb -0.10 -0.14 0.25 0.00 0.02 0.00 0.00 46.19 46.23 3hae s LEU 18 CO 0.03 -0.06 0.97 -1.14 0.02 0.00 0.00 176.35 176.17 3hae n ARG 19 N 2.43 3.14 -1.62 1.70 0.63 -1.26 0.13 116.66 121.81 3hae n ARG 19 Ca -0.17 -4.47 -0.42 0.00 -0.92 0.00 0.00 57.85 51.88 3hae n ARG 19 Cb 0.57 -2.49 0.01 0.00 0.45 0.00 0.00 32.46 31.01 3hae n ARG 19 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3hae n LEU 20 N 2.47 2.73 -3.73 6.15 4.77 0.19 -4.71 117.00 124.87 3hae n LEU 20 Ca 0.23 1.06 -0.14 0.00 -0.03 0.00 0.00 56.01 57.13 3hae n LEU 20 Cb 0.38 -1.37 -0.14 0.00 -2.33 0.00 0.00 43.42 39.96 3hae n LEU 20 CO 0.42 -1.36 -0.22 -0.55 -1.33 0.00 0.00 177.39 174.35 3hae s SER 21 N -0.70 -0.00 -0.03 -1.43 0.15 -0.00 -1.02 113.70 110.67 3hae s SER 21 Ca 0.62 0.32 0.07 0.00 0.70 0.00 0.00 55.95 57.67 3hae s SER 21 Cb -0.56 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 3hae s SER 21 CO 0.57 -0.16 -0.24 0.00 1.20 0.00 0.00 173.24 174.61 3hae s ALA 23 N -0.49 1.75 0.08 0.00 0.00 -1.21 -0.96 121.76 120.94 3hae s ALA 23 Ca 0.07 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3hae s ALA 23 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3hae s ALA 23 CO -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 175.76 175.33 3hae s ALA 24 N 1.53 3.37 -0.03 0.00 0.00 -0.55 -2.79 121.76 123.28 3hae s ALA 24 Ca 0.04 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 3hae s ALA 24 Cb -0.13 -1.28 0.07 0.00 0.00 0.00 0.00 23.12 21.78 3hae s ALA 24 CO -0.10 0.71 0.66 -1.54 0.00 0.00 0.00 175.76 175.49 3hae s SER 25 N -2.25 -0.64 0.00 0.00 1.04 -0.74 -4.83 113.70 106.28 3hae s SER 25 Ca 0.26 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.33 3hae s SER 25 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3hae s SER 25 CO 0.18 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.37 3hae n GLY 26 N 0.80 1.27 3.26 7.32 0.00 -1.26 -0.92 105.19 115.65 3hae n GLY 26 Ca -0.19 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3hae n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hae n PHE 27 N 0.00 -3.31 -2.83 1.61 -1.74 -1.26 -4.91 117.46 105.02 3hae n PHE 27 Ca 0.00 -0.67 -0.43 0.00 -0.56 0.00 0.00 57.45 55.79 3hae n PHE 27 Cb 0.00 -1.41 -0.03 0.00 1.52 0.00 0.00 39.48 39.56 3hae n PHE 27 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 3hae s THR 28 N -2.16 4.39 0.15 1.97 2.01 -1.26 -4.92 115.64 115.82 3hae s THR 28 Ca 0.67 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 3hae s THR 28 Cb -0.15 -4.78 -0.05 0.00 0.01 0.00 0.00 72.50 67.53 3hae s THR 28 CO 0.58 -1.56 1.55 0.15 -0.69 0.00 0.00 174.62 174.64 3hae h PHE 29 N 9.35 -1.68 0.00 4.92 3.57 -1.96 -2.29 116.94 128.85 3hae h PHE 29 Ca -0.06 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hae h PHE 29 Cb 1.04 0.83 0.00 0.00 2.79 0.00 0.00 35.95 40.61 3hae h PHE 29 CO 1.09 -0.43 0.00 0.43 -2.23 0.00 0.00 178.31 177.17 3hae n SER 30 N -5.34 0.00 0.00 0.41 7.64 -1.26 -3.91 113.62 111.16 3hae n SER 30 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hae n SER 30 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3hae n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hae n ALA 31 N -2.71 0.00 -2.10 -0.43 0.00 -0.86 -4.34 120.51 110.08 3hae n ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hae n ALA 31 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hae n ALA 31 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hae n TYR 32 N 0.00 -4.57 -3.15 0.00 4.02 -1.23 -4.48 117.16 107.75 3hae n TYR 32 Ca 0.00 2.74 -0.45 0.00 -0.01 0.00 0.00 57.90 60.18 3hae n TYR 32 Cb 0.00 -3.65 -0.04 0.00 -0.02 0.00 0.00 39.34 35.63 3hae n TYR 32 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3hae s GLY 33 N -0.52 1.95 0.83 2.72 0.00 -0.74 -3.45 107.32 108.11 3hae s GLY 33 Ca 0.00 -2.46 -0.11 0.00 0.00 0.00 0.00 44.72 42.15 3hae s GLY 33 CO 0.00 1.52 1.09 1.06 0.00 0.00 0.00 173.10 176.77 3hae s MET 34 N 2.20 1.82 0.10 2.90 1.00 -1.11 -1.14 119.30 125.07 3hae s MET 34 Ca 0.13 0.97 -0.26 0.00 0.00 0.00 0.00 55.69 56.52 3hae s MET 34 Cb -0.22 -1.86 0.08 0.00 0.00 0.00 0.00 34.83 32.83 3hae s MET 34 CO 0.03 -1.89 1.07 0.20 0.00 0.00 0.00 175.02 174.42 3hae s GLY 35 N -3.45 -0.26 -0.04 -0.03 0.00 0.37 -1.63 107.32 102.28 3hae s GLY 35 Ca 0.62 0.26 0.07 0.00 0.00 0.00 0.00 44.72 45.67 3hae s GLY 35 CO 0.56 0.28 -0.25 -0.98 0.00 0.00 0.00 173.10 172.71 3hae s TRP 36 N -2.93 2.36 -0.03 1.90 0.52 0.10 -0.82 118.94 120.05 3hae s TRP 36 Ca 0.14 -0.60 0.03 0.00 0.02 0.00 0.00 56.10 55.69 3hae s TRP 36 Cb 0.00 -1.54 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3hae s TRP 36 CO 0.01 -0.14 -0.12 0.08 0.02 0.00 0.00 176.95 176.80 3hae s VAL 37 N -0.34 0.98 0.30 4.03 1.01 -0.78 -1.00 120.40 124.60 3hae s VAL 37 Ca 0.02 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.62 3hae s VAL 37 Cb -0.12 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 3hae s VAL 37 CO 0.02 0.30 -0.12 0.00 0.00 0.00 0.00 175.10 175.29 3hae s ARG 38 N 0.11 1.68 -0.26 2.72 1.70 -1.26 -0.48 118.95 123.16 3hae s ARG 38 Ca -0.03 -1.83 -0.01 0.00 -0.47 0.00 0.00 55.73 53.39 3hae s ARG 38 Cb -0.09 -1.56 0.15 0.00 -0.57 0.00 0.00 34.95 32.88 3hae s ARG 38 CO 0.01 0.18 0.43 -1.14 -1.08 0.00 0.00 175.30 173.70 3hae s GLN 39 N -3.61 0.41 0.48 3.89 0.74 -0.52 0.02 119.66 121.07 3hae s GLN 39 Ca 0.30 0.54 -0.20 0.00 0.05 0.00 0.00 55.36 56.05 3hae s GLN 39 Cb 0.00 -0.23 -0.09 0.00 1.10 0.00 0.00 33.01 33.80 3hae s GLN 39 CO 0.14 -0.73 1.04 0.00 -0.55 0.00 0.00 175.29 175.18 3hae s ALA 40 N 2.61 2.88 -0.06 1.58 0.00 -1.26 -1.64 121.76 125.88 3hae s ALA 40 Ca 0.13 0.60 -0.35 0.00 0.00 0.00 0.00 51.96 52.35 3hae s ALA 40 Cb -0.15 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 3hae s ALA 40 CO -0.20 -0.29 1.79 -2.30 0.00 0.00 0.00 175.76 174.76 3hae n PRO 41 N -0.93 2.02 -0.92 0.00 -0.02 -1.26 -0.99 135.00 132.89 3hae n PRO 41 Ca 0.09 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3hae n PRO 41 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 4.14 0.70 3.68 -1.23 0.00 -1.26 -5.01 105.19 106.21 3hae n GLY 42 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3hae n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae s LYS 43 N -0.08 2.07 0.14 1.61 -0.14 -0.16 -5.15 119.74 118.03 3hae s LYS 43 Ca 0.00 -2.26 -0.02 0.00 -1.36 0.00 0.00 55.97 52.33 3hae s LYS 43 Cb 0.00 -1.51 0.03 0.00 -1.68 0.00 0.00 37.83 34.67 3hae s LYS 43 CO 0.00 -0.24 0.20 0.41 -0.76 0.00 0.00 175.35 174.96 3hae n GLY 44 N -1.11 -1.17 3.93 -3.33 0.00 -1.26 -4.60 105.19 97.64 3hae n GLY 44 Ca -0.12 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 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 4.30 -0.11 0.99 1.43 -1.26 -4.25 118.68 119.78 3hae s LEU 45 Ca 0.11 0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 3hae s LEU 45 Cb -0.00 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 3hae s LEU 45 CO 0.08 0.06 -0.22 1.21 0.23 0.00 0.00 176.35 177.72 3hae n GLU 46 N -0.45 0.34 -1.48 1.70 2.13 0.10 -4.97 120.64 118.00 3hae n GLU 46 Ca -0.07 0.14 -0.00 0.00 0.66 0.00 0.00 57.16 57.89 3hae n GLU 46 Cb 0.54 -1.08 -0.00 0.00 0.27 0.00 0.00 31.44 31.16 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 -3.96 -0.53 -0.10 4.31 -0.00 -1.26 -4.86 117.44 111.04 3hae n TRP 47 Ca -0.19 0.31 -0.13 0.00 -0.00 0.00 0.00 57.50 57.50 3hae n TRP 47 Cb 0.48 -1.91 -0.11 0.00 -0.00 0.00 0.00 31.31 29.78 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 0.20 1.21 0.00 5.87 0.31 -0.17 -4.35 118.33 121.40 3hae n VAL 48 Ca -0.03 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3hae n VAL 48 Cb 0.05 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 3hae n VAL 48 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hae n SER 49 N -2.98 0.00 -3.70 4.52 3.41 -1.14 -1.56 113.62 112.17 3hae n SER 49 Ca -0.35 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.16 3hae n SER 49 Cb 0.95 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.84 3hae n SER 49 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hae s SER 50 N 0.00 -0.15 -0.16 4.04 0.01 -1.11 -0.72 113.70 115.61 3hae s SER 50 Ca 0.00 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 56.89 3hae s SER 50 Cb 0.00 0.42 0.08 0.00 0.21 0.00 0.00 66.02 66.73 3hae s SER 50 CO 0.00 -0.77 0.21 -0.51 0.41 0.00 0.00 173.24 172.58 3hae s ILE 51 N -3.47 -0.32 0.94 1.44 2.07 -0.64 -2.31 121.20 118.91 3hae s ILE 51 Ca 0.01 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.20 3hae s ILE 51 Cb 0.02 -0.54 0.16 0.00 0.13 0.00 0.00 42.46 42.22 3hae s ILE 51 CO -0.09 -0.07 1.10 -0.83 -1.91 0.00 0.00 174.94 173.14 3hae s GLY 52 N 2.33 1.64 1.06 1.50 0.00 -0.59 -2.76 107.32 110.49 3hae s GLY 52 Ca 0.05 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 3hae s GLY 52 CO -0.10 0.73 1.15 -1.35 0.00 0.00 0.00 173.10 173.53 3hae s SER 53 N -2.92 2.22 -0.88 1.64 1.04 -1.22 -4.20 113.70 109.37 3hae s SER 53 Ca 0.65 0.74 -0.04 0.00 0.48 0.00 0.00 55.95 57.79 3hae s SER 53 Cb -0.21 -1.11 0.01 0.00 0.10 0.00 0.00 66.02 64.81 3hae s SER 53 CO 0.59 -3.33 0.07 -1.54 0.98 0.00 0.00 173.24 170.01 3hae n SER 54 N -4.25 0.01 -3.73 7.02 3.41 -1.26 -1.15 113.62 113.67 3hae n SER 54 Ca 0.10 -0.76 -0.32 0.00 -0.26 0.00 0.00 58.87 57.63 3hae n SER 54 Cb 0.59 -0.93 0.04 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.88 -0.92 0.00 5.00 0.00 -1.26 -4.99 105.19 101.14 3hae n GLY 55 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.74 -1.12 0.00 -0.02 0.00 -0.30 -5.02 105.19 96.99 3hae n GLY 56 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.23 1.08 3.55 -0.02 0.00 -1.26 -4.87 105.19 104.89 3hae n GLY 57 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3hae n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hae s THR 58 N -1.84 3.95 0.26 2.61 -4.23 -1.26 -1.54 115.64 113.59 3hae s THR 58 Ca 0.00 -0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.23 3hae s THR 58 Cb 0.00 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 3hae s THR 58 CO 0.00 0.54 -0.11 0.00 -0.54 0.00 0.00 174.62 174.51 3hae s ALA 59 N -0.11 2.34 0.01 3.99 0.00 -0.98 -5.02 121.76 121.99 3hae s ALA 59 Ca 0.03 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.16 3hae s ALA 59 Cb -0.13 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3hae s ALA 59 CO 0.02 0.04 -0.05 0.71 0.00 0.00 0.00 175.76 176.49 3hae s TYR 60 N -2.90 0.40 0.34 0.00 2.02 -1.26 -2.75 117.35 113.20 3hae s TYR 60 Ca 0.27 -0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 56.51 3hae s TYR 60 Cb 0.01 -0.25 -0.12 0.00 -0.40 0.00 0.00 41.96 41.20 3hae s TYR 60 CO 0.11 -0.03 1.42 0.00 -1.57 0.00 0.00 175.55 175.47 3hae n ALA 61 N 2.62 1.85 -0.17 3.71 0.00 -0.60 -4.83 120.51 123.09 3hae n ALA 61 Ca -0.15 0.36 0.20 0.00 0.00 0.00 0.00 53.44 53.85 3hae n ALA 61 Cb 0.58 -2.35 0.57 0.00 0.00 0.00 0.00 19.45 18.26 3hae n ALA 61 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3hae h ASP 62 N 3.15 0.27 1.12 0.00 3.58 -1.91 0.18 116.42 122.81 3hae h ASP 62 Ca -0.48 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.00 3hae h ASP 62 Cb 1.26 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.28 3hae h ASP 62 CO 0.67 0.12 0.00 0.77 -2.88 0.00 0.00 179.24 177.92 3hae h SER 63 N 0.28 0.00 -0.24 2.28 4.64 -1.95 -3.26 113.55 115.29 3hae h SER 63 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3hae h SER 63 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3hae h SER 63 CO -0.10 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.19 3hae n VAL 64 N -2.67 0.72 -1.54 0.95 0.24 0.60 -5.05 118.33 111.58 3hae n VAL 64 Ca 0.02 -0.86 -0.41 0.00 -2.04 0.00 0.00 64.34 61.05 3hae n VAL 64 Cb 0.33 0.70 0.01 0.00 -1.47 0.00 0.00 33.84 33.41 3hae n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3hae n LYS 65 N 0.51 0.97 -0.12 7.34 4.76 -1.04 -2.46 118.16 128.12 3hae n LYS 65 Ca 0.10 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 3hae n LYS 65 Cb 0.37 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 3hae n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hae n GLY 66 N 1.45 1.54 0.00 0.72 0.00 -1.26 -4.69 105.19 102.96 3hae n GLY 66 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 5.20 -4.62 1.61 1.74 -1.03 -5.03 116.66 112.54 3hae n ARG 67 Ca 0.00 -0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 3hae n ARG 67 Cb 0.00 -0.64 -0.16 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.28 1.30 -0.09 -1.55 0.40 -1.18 -0.53 117.98 115.06 3hae s PHE 68 Ca 0.00 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 3hae s PHE 68 Cb 0.00 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.65 3hae s PHE 68 CO 0.02 -0.10 -0.21 0.99 0.70 0.00 0.00 175.22 176.62 3hae s THR 69 N -0.01 1.80 -0.09 0.64 2.01 0.68 -4.96 115.64 115.71 3hae s THR 69 Ca -0.01 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 3hae s THR 69 Cb -0.09 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3hae s THR 69 CO 0.01 0.50 0.15 -0.51 -0.69 0.00 0.00 174.62 174.08 3hae s ILE 70 N 0.38 5.43 0.26 1.82 2.07 -1.26 0.13 121.20 130.05 3hae s ILE 70 Ca -0.17 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.08 3hae s ILE 70 Cb -0.17 -3.41 -0.01 0.00 0.13 0.00 0.00 42.46 39.00 3hae s ILE 70 CO 0.07 0.54 0.41 -0.94 -1.91 0.00 0.00 174.94 173.11 3hae s SER 71 N -1.28 0.22 -0.05 4.50 1.04 -0.74 -4.99 113.70 112.41 3hae s SER 71 Ca 0.18 -1.17 -0.03 0.00 0.48 0.00 0.00 55.95 55.41 3hae s SER 71 Cb -0.12 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3hae s SER 71 CO 0.08 -1.13 0.11 0.00 0.98 0.00 0.00 173.24 173.28 3hae s ARG 72 N -3.78 0.09 -0.37 4.02 1.70 -1.26 -0.32 118.95 119.04 3hae s ARG 72 Ca 0.28 0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.76 3hae s ARG 72 Cb 0.01 -0.05 0.10 0.00 -0.57 0.00 0.00 34.95 34.43 3hae s ARG 72 CO 0.13 -0.08 0.12 0.34 -1.08 0.00 0.00 175.30 174.72 3hae s ASP 73 N 0.54 5.01 0.31 -2.89 3.68 -0.63 -4.98 116.67 117.70 3hae s ASP 73 Ca -0.04 -1.98 0.00 0.00 2.13 0.00 0.00 52.55 52.66 3hae s ASP 73 Cb -0.06 -1.73 0.51 0.00 -1.45 0.00 0.00 42.92 40.19 3hae s ASP 73 CO -0.02 -0.44 1.94 0.78 0.13 0.00 0.00 175.17 177.56 3hae h ASN 74 N 7.87 0.90 0.04 -0.34 -0.26 -1.95 -1.90 115.58 119.94 3hae h ASN 74 Ca -0.11 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 3hae h ASN 74 Cb 1.04 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 3hae h ASN 74 CO 0.61 0.61 0.00 -1.54 -1.06 0.00 0.00 177.43 176.05 3hae n SER 75 N -4.45 0.00 -1.23 5.81 3.41 -1.26 -0.90 113.62 115.00 3hae n SER 75 Ca 0.11 -0.05 0.01 0.00 -0.26 0.00 0.00 58.87 58.68 3hae n SER 75 Cb 0.12 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3hae n SER 75 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3hae n LYS 76 N -1.11 0.00 -3.88 4.33 2.85 -1.06 -5.02 118.16 114.28 3hae n LYS 76 Ca 0.04 -1.56 -0.29 0.00 -1.05 0.00 0.00 58.31 55.45 3hae n LYS 76 Cb 0.03 0.07 -0.07 0.00 -0.65 0.00 0.00 35.03 34.41 3hae n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hae n ASN 77 N 0.30 -0.39 -4.51 -5.58 5.03 -0.08 -4.77 115.26 105.27 3hae n ASN 77 Ca -0.03 -0.97 -0.29 0.00 0.87 0.00 0.00 54.58 54.16 3hae n ASN 77 Cb 0.96 -1.23 -0.11 0.00 -1.02 0.00 0.00 39.78 38.39 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 -3.37 2.94 0.01 3.41 2.01 -0.74 -1.48 115.64 118.42 3hae s THR 78 Ca 0.34 -1.56 0.07 0.00 0.31 0.00 0.00 61.69 60.86 3hae s THR 78 Cb -0.20 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 3hae s THR 78 CO 0.78 0.04 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.30 3hae s LEU 79 N -2.35 2.09 0.20 4.42 2.96 -0.13 -1.61 118.68 124.26 3hae s LEU 79 Ca 0.20 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 53.73 3hae s LEU 79 Cb -0.10 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 3hae s LEU 79 CO 0.12 0.25 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.92 3hae s TYR 80 N -0.63 1.85 -0.17 5.38 2.02 0.57 0.07 117.35 126.43 3hae s TYR 80 Ca 0.09 -0.50 -0.05 0.00 -0.37 0.00 0.00 57.07 56.25 3hae s TYR 80 Cb -0.09 -0.87 0.07 0.00 -0.40 0.00 0.00 41.96 40.67 3hae s TYR 80 CO 0.00 0.41 0.11 -1.17 -1.57 0.00 0.00 175.55 173.34 3hae s LEU 81 N -3.13 0.25 -0.27 -1.29 2.96 -0.19 -1.78 118.68 115.23 3hae s LEU 81 Ca 0.21 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 3hae s LEU 81 Cb -0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.53 3hae s LEU 81 CO 0.08 -0.34 0.66 -1.58 -1.32 0.00 0.00 176.35 173.85 3hae s GLN 82 N 2.18 4.05 -0.34 1.98 2.00 0.12 -0.63 119.66 129.01 3hae s GLN 82 Ca 0.03 0.52 -0.04 0.00 -2.00 0.00 0.00 55.36 53.87 3hae s GLN 82 Cb -0.16 -3.68 0.06 0.00 0.80 0.00 0.00 33.01 30.04 3hae s GLN 82 CO -0.09 -0.48 0.09 -1.64 -0.50 0.00 0.00 175.29 172.66 3hae s MET 83 N 2.59 2.38 0.17 1.67 -1.94 0.12 -0.23 119.30 124.07 3hae s MET 83 Ca 0.27 -1.38 0.04 0.00 -1.71 0.00 0.00 55.69 52.91 3hae s MET 83 Cb -0.15 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 3hae s MET 83 CO 0.10 -0.75 0.24 -0.80 -0.01 0.00 0.00 175.02 173.79 3hae s ASN 84 N 1.46 6.02 -1.20 3.03 0.01 0.31 -1.76 114.94 122.81 3hae s ASN 84 Ca -0.01 0.03 -0.03 0.00 -0.71 0.00 0.00 52.86 52.15 3hae s ASN 84 Cb -0.21 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.74 3hae s ASN 84 CO -0.01 0.03 0.33 -1.20 -1.51 0.00 0.00 177.10 174.75 3hae n SER 85 N -0.65 -4.87 -4.71 -1.22 7.64 -1.07 -4.72 113.62 104.01 3hae n SER 85 Ca -0.08 -0.16 -0.38 0.00 1.01 0.00 0.00 58.87 59.26 3hae n SER 85 Cb 0.55 -3.80 0.05 0.00 -1.01 0.00 0.00 64.21 60.00 3hae n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hae n LEU 86 N -2.83 5.23 -4.46 -3.43 4.77 -0.98 -4.61 117.00 110.68 3hae n LEU 86 Ca -0.11 0.91 -0.23 0.00 -0.03 0.00 0.00 56.01 56.55 3hae n LEU 86 Cb 0.60 -1.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.06 3hae n LEU 86 CO 0.31 -0.95 -0.39 -0.13 -1.33 0.00 0.00 177.39 174.91 3hae s ARG 87 N -2.95 1.63 0.24 3.23 0.52 -1.26 -0.40 118.95 119.96 3hae s ARG 87 Ca 0.75 -1.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.06 3hae s ARG 87 Cb -0.41 -1.39 0.40 0.00 0.52 0.00 0.00 34.95 34.07 3hae s ARG 87 CO 0.47 0.11 1.64 0.00 0.02 0.00 0.00 175.30 177.54 3hae h ALA 88 N 2.22 0.73 0.00 2.13 0.00 -1.97 0.92 119.26 123.29 3hae h ALA 88 Ca -0.40 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hae h ALA 88 Cb 1.24 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3hae h ALA 88 CO 0.67 -0.41 0.32 0.39 0.00 0.00 0.00 179.25 180.21 3hae n GLU 89 N -5.34 0.09 0.00 0.00 4.71 -1.26 0.89 120.64 119.73 3hae n GLU 89 Ca 0.12 0.57 0.14 0.00 -0.01 0.00 0.00 57.16 57.98 3hae n GLU 89 Cb 0.44 -2.10 0.49 0.00 -1.01 0.00 0.00 31.44 29.26 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 -2.05 1.28 -4.67 1.62 8.00 0.32 -4.88 116.55 116.17 3hae n ASP 90 Ca -0.01 -1.27 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 3hae n ASP 90 Cb 0.34 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 3hae n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hae s THR 91 N -2.17 3.00 -0.01 -3.53 2.01 0.26 -4.84 115.64 110.35 3hae s THR 91 Ca 0.34 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.43 3hae s THR 91 Cb 0.20 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.64 3hae s THR 91 CO 0.40 -0.01 0.19 0.00 -0.69 0.00 0.00 174.62 174.51 3hae n ALA 92 N 7.02 -0.54 -2.66 7.40 0.00 0.34 -4.61 120.51 127.46 3hae n ALA 92 Ca 0.19 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 3hae n ALA 92 Cb 0.41 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 3hae n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hae s VAL 93 N -2.10 5.18 -0.27 0.00 1.01 -0.65 0.13 120.40 123.70 3hae s VAL 93 Ca 0.05 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 3hae s VAL 93 Cb -0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3hae s VAL 93 CO -0.00 0.22 0.17 -0.31 0.00 0.00 0.00 175.10 175.18 3hae s TYR 94 N 1.53 3.23 -0.19 5.22 2.02 0.34 -1.44 117.35 128.06 3hae s TYR 94 Ca 0.19 0.11 -0.15 0.00 -0.37 0.00 0.00 57.07 56.86 3hae s TYR 94 Cb -0.15 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 3hae s TYR 94 CO 0.08 -0.11 0.33 0.71 -1.57 0.00 0.00 175.55 174.99 3hae s TYR 95 N 1.56 3.41 0.21 2.71 2.02 0.37 -0.94 117.35 126.69 3hae s TYR 95 Ca 0.07 0.57 -0.30 0.00 -0.37 0.00 0.00 57.07 57.04 3hae s TYR 95 Cb -0.15 -2.42 -0.09 0.00 -0.40 0.00 0.00 41.96 38.89 3hae s TYR 95 CO 0.09 0.10 1.32 0.00 -1.57 0.00 0.00 175.55 175.49 3hae s ALA 97 N 0.03 -0.99 0.05 0.00 0.00 -0.00 -0.78 121.76 120.07 3hae s ALA 97 Ca 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 3hae s ALA 97 Cb -0.37 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3hae s ALA 97 CO 0.39 -0.69 -0.03 0.20 0.00 0.00 0.00 175.76 175.64 3hae s GLY 98 N -2.81 0.42 -0.06 0.00 0.00 0.33 0.14 107.32 105.34 3hae s GLY 98 Ca 0.04 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.71 3hae s GLY 98 CO -0.10 -1.19 -0.18 -1.83 0.00 0.00 0.00 173.10 169.79 3hae s GLU 99 N -3.48 2.61 0.24 2.90 -1.05 -0.29 -0.75 118.70 118.88 3hae s GLU 99 Ca 0.03 -0.77 -0.07 0.00 -0.15 0.00 0.00 54.97 54.01 3hae s GLU 99 Cb 0.05 -2.33 0.22 0.00 -0.44 0.00 0.00 34.13 31.63 3hae s GLU 99 CO -0.08 0.49 1.87 1.25 0.95 0.00 0.00 175.26 179.74 3hae h LEU 100 N 5.75 1.14 -8.65 1.83 7.12 -1.92 -1.96 115.31 118.63 3hae h LEU 100 Ca -0.39 -0.09 -0.28 0.00 0.13 0.00 0.00 57.88 57.25 3hae h LEU 100 Cb 1.16 -0.29 -0.15 0.00 -0.53 0.00 0.00 40.66 40.86 3hae h LEU 100 CO 0.50 0.90 -0.66 -0.76 -0.13 0.00 0.00 178.44 178.29 3hae s LEU 101 N -9.96 2.03 0.20 2.25 1.43 -1.26 -3.95 118.68 109.42 3hae s LEU 101 Ca -0.13 -1.20 -0.32 0.00 -1.03 0.00 0.00 54.13 51.46 3hae s LEU 101 Cb 0.17 -0.01 -0.11 0.00 0.03 0.00 0.00 46.19 46.27 3hae s LEU 101 CO 0.83 -0.60 1.68 -2.84 0.23 0.00 0.00 176.35 175.64 3hae s PRO 102 N -3.94 4.15 0.00 1.29 0.02 -1.26 -2.44 135.00 132.81 3hae s PRO 102 Ca 0.25 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.82 3hae s PRO 102 Cb 0.06 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3hae s PRO 102 CO 0.05 -0.71 0.00 0.66 -0.33 0.00 0.00 177.00 176.67 3hae n TYR 103 N 3.88 0.00 0.12 6.54 4.01 -1.26 -4.88 117.16 125.57 3hae n TYR 103 Ca 0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.87 3hae n TYR 103 Cb 0.36 -0.02 0.22 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.18 0.00 -0.72 3.20 -1.88 -3.50 116.97 114.25 3hae h TYR 104 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hae h TYR 104 Cb 0.01 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3hae h TYR 104 CO 0.01 0.60 0.00 0.41 -1.64 0.00 0.00 178.16 177.54 3hae n GLY 105 N -0.07 0.57 3.55 1.82 0.00 -1.26 -4.92 105.19 104.87 3hae n GLY 105 Ca -0.02 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 3hae n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hae s MET 106 N -3.75 2.56 0.05 1.61 -1.94 -1.26 -4.32 119.30 112.26 3hae s MET 106 Ca 0.00 0.81 0.04 0.00 -1.71 0.00 0.00 55.69 54.83 3hae s MET 106 Cb 0.00 -4.42 -0.24 0.00 2.01 0.00 0.00 34.83 32.18 3hae s MET 106 CO 0.00 -2.79 1.04 0.38 -0.01 0.00 0.00 175.02 173.64 3hae h ASP 107 N 15.76 0.16 -3.52 3.03 2.03 -1.30 -3.46 116.42 129.12 3hae h ASP 107 Ca -0.26 -0.20 -0.66 0.00 -0.73 0.00 0.00 57.03 55.18 3hae h ASP 107 Cb 1.18 -0.05 -0.24 0.00 -0.83 0.00 0.00 39.33 39.39 3hae h ASP 107 CO 1.20 1.16 -0.74 -0.69 -1.03 0.00 0.00 179.24 179.14 3hae s VAL 108 N -2.66 3.31 0.01 4.15 1.01 -1.14 -4.99 120.40 120.08 3hae s VAL 108 Ca -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3hae s VAL 108 Cb 0.08 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3hae s VAL 108 CO 0.84 0.54 -0.04 0.26 0.00 0.00 0.00 175.10 176.70 3hae s TRP 109 N -0.06 0.36 0.55 5.22 0.52 -1.26 -0.51 118.94 123.76 3hae s TRP 109 Ca -0.01 -0.20 -0.09 0.00 0.02 0.00 0.00 56.10 55.82 3hae s TRP 109 Cb -0.14 -0.23 0.13 0.00 -1.15 0.00 0.00 33.47 32.08 3hae s TRP 109 CO 0.03 -0.04 0.75 0.41 0.02 0.00 0.00 176.95 178.12 3hae n GLY 110 N 2.53 -1.25 1.22 0.98 0.00 0.04 -4.68 105.19 104.02 3hae n GLY 110 Ca -0.16 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.59 2.57 -0.01 1.61 10.64 -1.26 -4.85 117.38 123.49 3hae n GLN 111 Ca 0.10 -2.40 0.00 0.00 -1.83 0.00 0.00 57.00 52.87 3hae n GLN 111 Cb 0.33 -1.53 -0.00 0.00 -0.86 0.00 0.00 30.24 28.18 3hae n GLN 111 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hae n GLY 112 N 1.56 -2.72 3.00 2.61 0.00 -1.26 -5.01 105.19 103.38 3hae n GLY 112 Ca 0.21 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.54 0.35 -0.02 2.61 -1.32 -0.11 -4.83 115.64 108.77 3hae s THR 113 Ca 0.00 -0.76 -0.18 0.00 -1.21 0.00 0.00 61.69 59.54 3hae s THR 113 Cb 0.00 -0.41 -0.05 0.00 -1.51 0.00 0.00 72.50 70.53 3hae s THR 113 CO 0.00 -0.28 0.50 -0.89 -2.21 0.00 0.00 174.62 171.74 3hae s THR 114 N -1.02 4.98 -0.16 5.08 2.01 -1.26 0.13 115.64 125.40 3hae s THR 114 Ca -0.08 1.04 0.02 0.00 0.31 0.00 0.00 61.69 62.97 3hae s THR 114 Cb -0.07 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.62 3hae s THR 114 CO -0.00 0.47 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.51 3hae s VAL 115 N -0.42 2.01 -0.22 3.82 1.01 0.35 -0.64 120.40 126.30 3hae s VAL 115 Ca 0.27 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3hae s VAL 115 Cb -0.17 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3hae s VAL 115 CO 0.15 0.54 -0.09 -0.89 0.00 0.00 0.00 175.10 174.80 3hae s THR 116 N 1.10 2.85 -0.35 3.92 2.01 0.52 -0.50 115.64 125.18 3hae s THR 116 Ca -0.00 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 3hae s THR 116 Cb -0.14 -2.33 0.04 0.00 0.01 0.00 0.00 72.50 70.07 3hae s THR 116 CO -0.08 0.37 0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 3hae s VAL 117 N 1.37 4.03 0.17 3.82 1.01 -1.26 -1.20 120.40 128.34 3hae s VAL 117 Ca 0.03 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 3hae s VAL 117 Cb -0.15 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 33.02 3hae s VAL 117 CO -0.06 -0.20 0.64 -0.55 0.00 0.00 0.00 175.10 174.92 3hae s SER 118 N 1.46 -0.51 0.00 3.32 0.15 -0.02 -4.33 113.70 113.77 3hae s SER 118 Ca -0.01 -0.09 0.12 0.00 0.70 0.00 0.00 55.95 56.68 3hae s SER 118 Cb -0.19 0.60 0.30 0.00 -1.71 0.00 0.00 66.02 65.02 3hae s SER 118 CO 0.04 -1.00 1.22 -1.54 1.20 0.00 0.00 173.24 173.16 3hae n SER 119 N -0.38 2.86 -4.77 5.45 3.41 -1.26 -3.55 113.62 115.37 3hae n SER 119 Ca -0.15 -1.92 -0.39 0.00 -0.26 0.00 0.00 58.87 56.15 3hae n SER 119 Cb 0.64 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.00 3.23 0.46 7.33 0.00 -1.26 -5.02 121.76 125.50 3hae s ALA 120 Ca 0.24 0.95 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 3hae s ALA 120 Cb 0.13 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 3hae s ALA 120 CO 0.17 -0.43 1.17 -1.12 0.00 0.00 0.00 175.76 175.55 3hae s SER 121 N -1.06 6.15 0.79 0.00 0.01 -1.26 -5.02 113.70 113.30 3hae s SER 121 Ca 0.54 2.32 -0.14 0.00 1.31 0.00 0.00 55.95 59.98 3hae s SER 121 Cb -0.31 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.39 3hae s SER 121 CO 0.39 -0.93 1.20 0.28 0.41 0.00 0.00 173.24 174.59 3hae s THR 122 N -1.54 2.19 -0.04 1.44 -1.32 -1.26 -4.86 115.64 110.25 3hae s THR 122 Ca 0.64 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 61.19 3hae s THR 122 Cb -0.29 -2.52 0.03 0.00 -1.51 0.00 0.00 72.50 68.21 3hae s THR 122 CO 0.35 -0.06 0.06 -0.75 -2.21 0.00 0.00 174.62 172.01 3hae s LYS 123 N -4.12 -0.03 0.68 7.08 2.36 -0.64 -4.92 119.74 120.15 3hae s LYS 123 Ca 0.73 0.30 -0.14 0.00 -2.55 0.00 0.00 55.97 54.30 3hae s LYS 123 Cb -0.28 -0.33 0.01 0.00 -1.05 0.00 0.00 37.83 36.18 3hae s LYS 123 CO 0.49 -0.23 1.10 0.20 1.55 0.00 0.00 175.35 178.46 3hae s GLY 124 N 1.52 2.03 0.37 5.54 0.00 -1.26 -1.55 107.32 113.97 3hae s GLY 124 Ca -0.04 0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 3hae s GLY 124 CO -0.04 0.80 0.76 2.56 0.00 0.00 0.00 173.10 177.18 3hae s PRO 125 N -4.30 3.87 0.26 2.90 0.04 -1.26 -4.42 135.00 132.09 3hae s PRO 125 Ca 0.65 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 3hae s PRO 125 Cb -0.19 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 3hae s PRO 125 CO 0.45 0.04 0.71 -1.12 0.04 0.00 0.00 177.00 177.12 3hae s SER 126 N -2.79 6.90 -0.20 6.66 0.01 0.01 -4.87 113.70 119.42 3hae s SER 126 Ca 0.52 1.31 0.01 0.00 1.31 0.00 0.00 55.95 59.11 3hae s SER 126 Cb -0.10 -2.38 0.04 0.00 0.21 0.00 0.00 66.02 63.79 3hae s SER 126 CO 0.26 -0.07 -0.10 -0.69 0.41 0.00 0.00 173.24 173.05 3hae s VAL 127 N -1.73 1.62 0.02 3.43 1.01 -1.26 -0.47 120.40 123.02 3hae s VAL 127 Ca 0.48 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3hae s VAL 127 Cb -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3hae s VAL 127 CO 0.19 0.16 -0.12 -0.36 0.00 0.00 0.00 175.10 174.97 3hae s PHE 128 N 1.40 2.73 0.26 5.22 0.08 -0.42 -4.96 117.98 122.29 3hae s PHE 128 Ca -0.01 -0.14 -0.24 0.00 0.12 0.00 0.00 56.93 56.65 3hae s PHE 128 Cb -0.16 -1.54 -0.09 0.00 -0.57 0.00 0.00 43.02 40.65 3hae s PHE 128 CO -0.08 0.31 0.85 -1.25 -0.10 0.00 0.00 175.22 174.95 3hae s PRO 129 N -1.41 4.48 -0.42 0.24 0.04 -1.26 -0.25 135.00 136.43 3hae s PRO 129 Ca 0.16 1.16 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 3hae s PRO 129 Cb -0.11 -2.91 0.08 0.00 0.04 0.00 0.00 34.50 31.60 3hae s PRO 129 CO 0.06 0.37 0.26 -0.51 0.04 0.00 0.00 177.00 177.22 3hae s LEU 130 N -1.87 5.18 0.46 -3.56 1.43 0.31 -4.84 118.68 115.80 3hae s LEU 130 Ca 0.45 -1.57 -0.17 0.00 -1.03 0.00 0.00 54.13 51.81 3hae s LEU 130 Cb -0.19 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.97 3hae s LEU 130 CO 0.24 -0.55 0.93 0.00 0.23 0.00 0.00 176.35 177.20 3hae s ALA 131 N 1.40 3.11 0.40 4.21 0.00 -1.26 -3.70 121.76 125.92 3hae s ALA 131 Ca 0.03 0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 3hae s ALA 131 Cb -0.23 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 3hae s ALA 131 CO 0.01 -0.07 0.88 -1.25 0.00 0.00 0.00 175.76 175.34 3hae s PRO 132 N -3.72 4.13 0.40 0.00 0.04 -1.26 -4.47 135.00 130.12 3hae s PRO 132 Ca 0.58 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 3hae s PRO 132 Cb -0.10 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.27 3hae s PRO 132 CO 0.25 0.01 0.55 0.45 0.04 0.00 0.00 177.00 178.30 3hae n SER 133 N -0.64 0.41 -1.50 6.66 2.88 -1.26 -4.36 113.62 115.80 3hae n SER 133 Ca 0.06 -1.42 -0.10 0.00 -1.33 0.00 0.00 58.87 56.08 3hae n SER 133 Cb 0.54 -0.38 0.09 0.00 -0.75 0.00 0.00 64.21 63.71 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 -3.14 3.33 -0.02 -3.46 3.41 -1.26 -4.72 113.62 107.76 3hae n SER 134 Ca 0.08 -3.63 -0.01 0.00 -0.26 0.00 0.00 58.87 55.05 3hae n SER 134 Cb 0.28 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.81 1.92 -1.90 4.33 5.02 -1.26 -4.45 118.16 121.01 3hae n LYS 135 Ca 0.31 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 56.21 3hae n LYS 135 Cb 0.86 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.68 3hae n LYS 135 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hae n SER 136 N -2.09 7.23 -0.00 4.39 2.88 -1.26 -4.21 113.62 120.55 3hae n SER 136 Ca -0.08 -3.47 0.00 0.00 -1.33 0.00 0.00 58.87 53.99 3hae n SER 136 Cb 0.55 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 3hae n SER 136 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3hae n THR 137 N 0.44 0.27 0.07 2.46 -2.24 -1.26 -4.17 114.28 109.85 3hae n THR 137 Ca 0.53 -0.64 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3hae n THR 137 Cb 0.35 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 3hae n THR 137 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hae h SER 138 N 0.02 -0.19 -0.06 3.42 0.02 -1.88 -3.38 113.55 111.48 3hae h SER 138 Ca 0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3hae h SER 138 Cb 0.14 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3hae h SER 138 CO 0.00 0.04 -0.10 0.61 -1.14 0.00 0.00 176.83 176.24 3hae n GLY 139 N 0.87 2.84 3.14 -3.77 0.00 -1.26 -4.89 105.19 102.11 3hae n GLY 139 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.77 0.00 3.33 -0.02 0.00 -1.26 -4.86 105.19 104.15 3hae n GLY 140 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.04 -0.37 0.31 2.61 -1.32 -1.26 -3.62 115.64 107.94 3hae s THR 141 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 3hae s THR 141 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 3hae s THR 141 CO 0.00 0.00 0.11 0.00 -2.21 0.00 0.00 174.62 172.52 3hae s ALA 142 N 2.36 2.12 -0.28 11.08 0.00 -0.39 -4.74 121.76 131.91 3hae s ALA 142 Ca -0.02 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 49.93 3hae s ALA 142 Cb -0.05 0.93 0.12 0.00 0.00 0.00 0.00 23.12 24.13 3hae s ALA 142 CO -0.17 -0.42 0.98 0.00 0.00 0.00 0.00 175.76 176.16 3hae s ALA 143 N -3.52 -2.02 0.05 0.00 0.00 -1.26 0.17 121.76 115.18 3hae s ALA 143 Ca 0.35 1.99 0.00 0.00 0.00 0.00 0.00 51.96 54.30 3hae s ALA 143 Cb 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3hae s ALA 143 CO 0.15 -0.28 0.00 -0.11 0.00 0.00 0.00 175.76 175.53 3hae n LEU 144 N 2.69 -4.14 0.04 0.00 7.94 -1.24 -4.72 117.00 117.57 3hae n LEU 144 Ca -0.14 1.50 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 3hae n LEU 144 Cb 0.56 -2.08 0.00 0.00 0.53 0.00 0.00 43.42 42.43 3hae n LEU 144 CO 0.02 -1.16 0.00 0.61 -1.11 0.00 0.00 177.39 175.75 3hae n GLY 145 N 0.91 -1.86 3.69 -3.96 0.00 -1.19 0.84 105.19 103.62 3hae n GLY 145 Ca 0.00 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 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 1.98 3.73 -0.33 0.00 2.96 0.66 -0.46 118.68 127.22 3hae s LEU 147 Ca 0.60 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 3hae s LEU 147 Cb -0.29 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.49 3hae s LEU 147 CO 0.26 0.12 0.08 -0.69 -1.32 0.00 0.00 176.35 174.79 3hae s VAL 148 N 0.72 3.38 -0.17 1.68 1.01 0.48 -1.30 120.40 126.20 3hae s VAL 148 Ca 0.04 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 3hae s VAL 148 Cb -0.13 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3hae s VAL 148 CO 0.02 -0.23 -0.00 -0.75 0.00 0.00 0.00 175.10 174.14 3hae s LYS 149 N 1.30 3.78 -0.75 2.72 2.47 0.39 -1.75 119.74 127.90 3hae s LYS 149 Ca -0.02 -0.45 -0.00 0.00 -1.56 0.00 0.00 55.97 53.94 3hae s LYS 149 Cb -0.20 -3.03 -0.00 0.00 -1.46 0.00 0.00 37.83 33.14 3hae s LYS 149 CO 0.00 0.25 0.69 -0.25 0.16 0.00 0.00 175.35 176.21 3hae n ASP 150 N 3.53 -7.53 -4.38 1.43 8.00 -0.98 -0.81 116.55 115.81 3hae n ASP 150 Ca -0.17 -0.16 -0.20 0.00 0.71 0.00 0.00 54.79 54.97 3hae n ASP 150 Cb 0.52 -4.98 -0.10 0.00 -0.02 0.00 0.00 41.12 36.54 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 -3.00 1.88 -0.26 1.24 1.13 -0.18 -4.28 117.35 113.88 3hae s TYR 151 Ca 0.00 -0.50 -0.18 0.00 -1.41 0.00 0.00 57.07 54.99 3hae s TYR 151 Cb -0.00 -0.86 0.07 0.00 -1.10 0.00 0.00 41.96 40.08 3hae s TYR 151 CO 0.76 0.46 0.66 0.12 -2.51 0.00 0.00 175.55 175.04 3hae s PHE 152 N -2.78 -0.92 0.08 -3.49 5.36 -0.59 -1.36 117.98 114.27 3hae s PHE 152 Ca 0.24 1.96 -0.00 0.00 -0.96 0.00 0.00 56.93 58.17 3hae s PHE 152 Cb -0.02 0.48 0.02 0.00 -0.34 0.00 0.00 43.02 43.15 3hae s PHE 152 CO 0.09 -0.46 0.11 -0.35 -1.46 0.00 0.00 175.22 173.15 3hae n PRO 153 N 3.78 0.40 -0.88 10.12 -0.04 -1.26 -1.62 135.00 145.50 3hae n PRO 153 Ca -0.18 -0.26 -0.32 0.00 -0.04 0.00 0.00 63.50 62.69 3hae n PRO 153 Cb 0.57 -0.08 0.15 0.00 -0.04 0.00 0.00 33.50 34.10 3hae n PRO 153 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hae n GLU 154 N -1.21 -0.16 -3.83 0.54 -0.58 -1.26 -4.81 120.64 109.34 3hae n GLU 154 Ca 0.02 0.03 -0.24 0.00 -0.42 0.00 0.00 57.16 56.54 3hae n GLU 154 Cb 0.06 -2.40 -0.02 0.00 -0.57 0.00 0.00 31.44 28.51 3hae n GLU 154 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hae s PRO 155 N -4.38 2.32 -0.02 3.49 0.04 -1.26 -5.00 135.00 130.19 3hae s PRO 155 Ca 0.70 -1.86 0.00 0.00 0.04 0.00 0.00 61.00 59.88 3hae s PRO 155 Cb -0.26 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.15 3hae s PRO 155 CO 0.55 -0.44 0.02 0.08 0.04 0.00 0.00 177.00 177.25 3hae s VAL 156 N -2.67 0.01 0.04 -0.36 1.01 -1.26 -4.56 120.40 112.61 3hae s VAL 156 Ca 0.39 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 3hae s VAL 156 Cb -0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 36.38 36.17 3hae s VAL 156 CO 0.23 0.10 0.51 0.42 0.00 0.00 0.00 175.10 176.36 3hae s THR 157 N 0.97 4.85 -0.13 3.92 -4.23 -0.94 -4.96 115.64 115.11 3hae s THR 157 Ca -0.09 1.08 0.02 0.00 -1.18 0.00 0.00 61.69 61.53 3hae s THR 157 Cb -0.12 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 69.90 3hae s THR 157 CO -0.02 0.56 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.75 3hae s VAL 158 N -1.06 1.71 0.31 2.29 1.01 -1.26 -0.77 120.40 122.63 3hae s VAL 158 Ca 0.27 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.60 3hae s VAL 158 Cb -0.18 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3hae s VAL 158 CO 0.17 0.48 -0.09 -0.94 0.00 0.00 0.00 175.10 174.72 3hae s SER 159 N 1.05 3.93 -0.07 3.32 1.04 -0.21 -4.96 113.70 117.80 3hae s SER 159 Ca -0.04 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 55.45 3hae s SER 159 Cb -0.15 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.51 3hae s SER 159 CO -0.04 -0.09 -0.23 0.26 0.98 0.00 0.00 173.24 174.12 3hae s TRP 160 N -2.50 2.27 -1.35 5.02 0.52 -1.26 0.24 118.94 121.89 3hae s TRP 160 Ca 0.32 -0.75 -0.07 0.00 0.02 0.00 0.00 56.10 55.63 3hae s TRP 160 Cb -0.02 -1.51 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3hae s TRP 160 CO 0.17 -0.26 0.49 0.09 0.02 0.00 0.00 176.95 177.46 3hae n ASN 161 N 3.17 -1.50 -4.04 2.95 3.02 0.52 -0.98 115.26 118.40 3hae n ASN 161 Ca -0.18 -1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 52.91 3hae n ASN 161 Cb 0.52 -2.95 0.01 0.00 -0.61 0.00 0.00 39.78 36.75 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 -2.86 -3.47 0.00 6.41 3.41 -1.26 -1.32 113.62 114.52 3hae n SER 162 Ca -0.26 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 3hae n SER 162 Cb 0.66 -1.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.62 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 -2.09 0.49 0.13 5.00 0.00 -1.06 -4.86 105.19 102.80 3hae n GLY 163 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.67 -3.08 4.61 0.00 -0.86 -3.44 119.26 117.16 3hae h ALA 164 Ca 0.00 -0.43 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 3hae h ALA 164 Cb 0.14 0.07 -0.28 0.00 0.00 0.00 0.00 17.79 17.72 3hae h ALA 164 CO 0.00 0.51 -0.66 -1.17 0.00 0.00 0.00 179.25 177.93 3hae s LEU 165 N -5.97 3.57 0.00 0.00 1.98 -0.16 -4.89 118.68 113.21 3hae s LEU 165 Ca 0.01 -0.70 0.00 0.00 -2.89 0.00 0.00 54.13 50.55 3hae s LEU 165 Cb 0.08 -1.81 0.00 0.00 0.66 0.00 0.00 46.19 45.12 3hae s LEU 165 CO 0.77 -0.15 0.00 1.07 -1.89 0.00 0.00 176.35 176.15 3hae n THR 166 N 4.81 0.00 -2.00 3.68 5.66 -1.26 -4.05 114.28 121.12 3hae n THR 166 Ca -0.15 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.42 3hae n THR 166 Cb 0.48 -0.22 -0.03 0.00 -1.55 0.00 0.00 70.33 69.01 3hae n THR 166 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3hae s SER 167 N -3.17 6.59 -0.58 1.09 0.15 -1.26 -3.27 113.70 113.25 3hae s SER 167 Ca 0.00 2.17 -0.01 0.00 0.70 0.00 0.00 55.95 58.81 3hae s SER 167 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3hae s SER 167 CO 0.00 -1.00 0.13 0.61 1.20 0.00 0.00 173.24 174.19 3hae n GLY 168 N 4.26 0.19 3.81 9.45 0.00 -1.26 -4.79 105.19 116.84 3hae n GLY 168 Ca 0.18 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.61 5.23 -0.16 1.61 1.01 -1.20 -2.30 120.40 121.99 3hae s VAL 169 Ca 0.07 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 3hae s VAL 169 Cb -0.03 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.78 3hae s VAL 169 CO 0.08 0.52 0.01 -2.28 0.00 0.00 0.00 175.10 173.43 3hae s HIS 170 N -0.49 1.02 -0.46 5.22 2.46 -0.01 -5.01 115.29 118.02 3hae s HIS 170 Ca 0.20 -0.70 -0.17 0.00 0.47 0.00 0.00 55.06 54.86 3hae s HIS 170 Cb -0.14 -1.01 0.05 0.00 -0.13 0.00 0.00 32.58 31.35 3hae s HIS 170 CO 0.08 -0.53 0.44 0.99 -2.47 0.00 0.00 174.74 173.25 3hae s THR 171 N 1.86 5.13 0.35 0.89 2.01 -1.26 -1.83 115.64 122.79 3hae s THR 171 Ca 0.01 -0.76 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 3hae s THR 171 Cb -0.15 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 3hae s THR 171 CO -0.07 -0.57 1.30 -0.36 -0.69 0.00 0.00 174.62 174.23 3hae s PHE 172 N 1.95 3.00 0.45 4.92 0.40 -0.45 -4.98 117.98 123.27 3hae s PHE 172 Ca 0.08 1.42 -0.25 0.00 -0.60 0.00 0.00 56.93 57.58 3hae s PHE 172 Cb -0.21 -3.67 -0.08 0.00 0.51 0.00 0.00 43.02 39.57 3hae s PHE 172 CO 0.09 -1.89 1.40 -0.35 0.70 0.00 0.00 175.22 175.18 3hae n PRO 173 N 0.62 2.16 -1.12 0.24 -0.04 -1.26 -4.31 135.00 131.28 3hae n PRO 173 Ca 0.01 0.77 -0.31 0.00 -0.04 0.00 0.00 63.50 63.93 3hae n PRO 173 Cb 0.42 -2.58 0.11 0.00 -0.04 0.00 0.00 33.50 31.41 3hae n PRO 173 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hae s ALA 174 N -1.20 2.06 -0.04 0.55 0.00 -1.26 -4.85 121.76 117.01 3hae s ALA 174 Ca 0.62 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 3hae s ALA 174 Cb -0.46 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3hae s ALA 174 CO 0.57 -2.01 0.06 0.54 0.00 0.00 0.00 175.76 174.92 3hae s VAL 175 N -2.84 4.69 -0.25 0.00 0.11 0.12 -4.95 120.40 117.27 3hae s VAL 175 Ca 0.62 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 59.28 3hae s VAL 175 Cb -0.18 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.54 3hae s VAL 175 CO 0.57 0.47 0.22 -0.22 -3.33 0.00 0.00 175.10 172.80 3hae s LEU 176 N -1.37 4.09 0.09 2.54 2.96 -1.26 -1.61 118.68 124.12 3hae s LEU 176 Ca 0.19 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3hae s LEU 176 Cb -0.12 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 3hae s LEU 176 CO 0.09 0.00 0.32 -1.10 -1.32 0.00 0.00 176.35 174.34 3hae s GLN 177 N 1.33 3.58 -0.38 1.98 -0.21 -0.89 -4.97 119.66 120.10 3hae s GLN 177 Ca 0.10 -0.16 -0.04 0.00 0.02 0.00 0.00 55.36 55.28 3hae s GLN 177 Cb -0.14 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 3hae s GLN 177 CO 0.07 0.54 1.48 -1.13 -2.12 0.00 0.00 175.29 174.13 3hae n SER 178 N 0.38 2.03 0.00 5.90 3.41 -1.26 0.12 113.62 124.21 3hae n SER 178 Ca -0.05 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 3hae n SER 178 Cb 0.52 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3hae n SER 178 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hae n SER 179 N 4.93 0.00 0.00 4.04 3.41 -1.26 -4.99 113.62 119.74 3hae n SER 179 Ca 0.21 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 3hae n SER 179 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.00 1.34 3.82 5.00 0.00 0.12 -5.01 105.19 110.47 3hae n GLY 180 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.49 0.06 0.99 1.43 -1.25 -4.84 118.68 119.55 3hae s LEU 181 Ca 0.00 1.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.96 3hae s LEU 181 Cb 0.00 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 3hae s LEU 181 CO 0.00 0.30 0.58 -0.31 0.23 0.00 0.00 176.35 177.15 3hae s TYR 182 N -1.03 3.78 0.12 0.29 2.02 -0.46 -2.09 117.35 119.97 3hae s TYR 182 Ca 0.25 1.27 0.07 0.00 -0.37 0.00 0.00 57.07 58.29 3hae s TYR 182 Cb -0.18 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 3hae s TYR 182 CO 0.15 0.53 -0.16 -1.12 -1.57 0.00 0.00 175.55 173.38 3hae s SER 183 N -0.87 2.15 0.25 2.29 0.01 -0.63 -1.01 113.70 115.88 3hae s SER 183 Ca 0.30 -0.76 -0.16 0.00 1.31 0.00 0.00 55.95 56.63 3hae s SER 183 Cb -0.19 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 65.95 3hae s SER 183 CO 0.19 -0.08 0.56 -1.48 0.41 0.00 0.00 173.24 172.84 3hae s LEU 184 N -2.27 0.11 0.06 2.44 0.05 -0.72 0.10 118.68 118.45 3hae s LEU 184 Ca 0.08 -0.76 0.04 0.00 0.05 0.00 0.00 54.13 53.54 3hae s LEU 184 Cb -0.07 2.12 -0.03 0.00 -2.05 0.00 0.00 46.19 46.17 3hae s LEU 184 CO 0.04 -1.19 -0.12 -0.44 -0.55 0.00 0.00 176.35 174.08 3hae s SER 185 N -2.97 1.43 -0.13 1.48 0.01 -1.26 -0.38 113.70 111.88 3hae s SER 185 Ca 0.17 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.89 3hae s SER 185 Cb -0.02 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 3hae s SER 185 CO 0.07 -0.08 -0.19 -0.55 0.41 0.00 0.00 173.24 172.89 3hae s SER 186 N -1.53 3.42 0.08 2.44 0.15 0.40 -1.34 113.70 117.31 3hae s SER 186 Ca -0.03 -0.50 0.10 0.00 0.70 0.00 0.00 55.95 56.21 3hae s SER 186 Cb -0.09 -1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 62.68 3hae s SER 186 CO 0.02 0.12 -0.25 0.68 1.20 0.00 0.00 173.24 175.00 3hae s VAL 187 N 0.60 2.29 -0.10 4.45 -7.23 -0.76 -1.51 120.40 118.14 3hae s VAL 187 Ca -0.11 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 3hae s VAL 187 Cb -0.16 -1.95 0.03 0.00 0.56 0.00 0.00 36.38 34.86 3hae s VAL 187 CO 0.03 0.25 -0.02 0.54 -0.31 0.00 0.00 175.10 175.59 3hae s VAL 188 N -0.93 0.59 -0.13 1.32 0.11 0.25 -0.83 120.40 120.78 3hae s VAL 188 Ca 0.13 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 3hae s VAL 188 Cb -0.10 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3hae s VAL 188 CO 0.04 0.25 0.98 0.42 -3.33 0.00 0.00 175.10 173.46 3hae s THR 189 N 1.88 4.79 0.12 5.04 -4.23 -0.97 -4.08 115.64 118.18 3hae s THR 189 Ca 0.04 1.96 0.04 0.00 -1.18 0.00 0.00 61.69 62.56 3hae s THR 189 Cb -0.13 -4.28 -0.04 0.00 1.34 0.00 0.00 72.50 69.39 3hae s THR 189 CO -0.06 -0.02 -0.11 0.68 -0.54 0.00 0.00 174.62 174.57 3hae s VAL 190 N 2.20 1.11 0.08 2.29 -7.23 0.44 -4.80 120.40 114.49 3hae s VAL 190 Ca 0.46 -1.78 -0.32 0.00 -1.81 0.00 0.00 61.98 58.53 3hae s VAL 190 Cb -0.17 -1.54 -0.11 0.00 0.56 0.00 0.00 36.38 35.11 3hae s VAL 190 CO 0.15 -0.58 1.85 -0.81 -0.31 0.00 0.00 175.10 175.41 3hae n PRO 191 N 0.34 2.68 -0.03 4.82 -0.04 -1.26 -1.27 135.00 140.24 3hae n PRO 191 Ca -0.14 0.98 0.23 0.00 -0.04 0.00 0.00 63.50 64.53 3hae n PRO 191 Cb 0.58 -2.87 0.72 0.00 -0.04 0.00 0.00 33.50 31.90 3hae n PRO 191 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hae h SER 192 N 8.82 0.00 0.46 3.54 0.87 -1.90 0.28 113.55 125.62 3hae h SER 192 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3hae h SER 192 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3hae h SER 192 CO 0.94 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 175.70 3hae n SER 193 N -4.02 0.53 0.13 6.23 3.41 -1.26 -2.15 113.62 116.49 3hae n SER 193 Ca 0.12 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 3hae n SER 193 Cb 0.76 -0.76 0.33 0.00 -0.26 0.00 0.00 64.21 64.27 3hae n SER 193 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hae h SER 194 N 0.00 0.00 -2.72 4.04 0.02 -0.79 -3.44 113.55 110.65 3hae h SER 194 Ca 0.00 -0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.40 3hae h SER 194 Cb 0.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 3hae h SER 194 CO 0.00 0.01 0.98 -0.76 -1.14 0.00 0.00 176.83 175.91 3hae s LEU 195 N -4.94 4.34 0.00 5.07 1.02 -0.92 -0.08 118.68 123.18 3hae s LEU 195 Ca 0.09 2.33 0.00 0.00 0.02 0.00 0.00 54.13 56.58 3hae s LEU 195 Cb 0.11 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.76 3hae s LEU 195 CO 0.62 -0.85 0.00 0.61 0.02 0.00 0.00 176.35 176.75 3hae n GLY 196 N 3.94 2.95 0.04 -3.19 0.00 -1.26 -4.79 105.19 102.88 3hae n GLY 196 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 0.46 -3.60 2.61 -2.24 -0.74 -5.01 114.28 103.76 3hae n THR 197 Ca 0.00 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 3hae n THR 197 Cb 0.00 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 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 -2.16 3.53 -0.12 -0.78 2.00 0.88 -5.10 119.66 117.91 3hae s GLN 198 Ca -0.08 -0.30 -0.01 0.00 -2.00 0.00 0.00 55.36 52.97 3hae s GLN 198 Cb 0.02 -2.78 -0.02 0.00 0.80 0.00 0.00 33.01 31.03 3hae s GLN 198 CO 0.22 0.34 -0.09 0.99 -0.50 0.00 0.00 175.29 176.24 3hae s THR 199 N -1.97 3.39 -0.32 -0.34 2.01 -1.26 -4.84 115.64 112.32 3hae s THR 199 Ca 0.39 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.88 3hae s THR 199 Cb -0.11 -2.44 0.09 0.00 0.01 0.00 0.00 72.50 70.06 3hae s THR 199 CO 0.30 0.53 0.01 -0.31 -0.69 0.00 0.00 174.62 174.46 3hae s TYR 200 N 0.13 3.54 -0.16 4.92 2.02 -1.26 -4.91 117.35 121.64 3hae s TYR 200 Ca -0.04 -2.77 -0.03 0.00 -0.37 0.00 0.00 57.07 53.85 3hae s TYR 200 Cb -0.14 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.79 3hae s TYR 200 CO 0.04 -0.93 -0.05 0.42 -1.57 0.00 0.00 175.55 173.47 3hae s ILE 201 N 0.99 3.73 -0.00 2.71 1.01 -1.26 -0.96 121.20 127.41 3hae s ILE 201 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3hae s ILE 201 Cb -0.19 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3hae s ILE 201 CO -0.08 0.48 0.12 0.00 0.00 0.00 0.00 174.94 175.47 3hae s ASN 203 N -1.85 4.46 -0.11 0.00 -0.87 0.14 -1.72 114.94 114.99 3hae s ASN 203 Ca 0.25 -1.29 -0.06 0.00 -1.57 0.00 0.00 52.86 50.18 3hae s ASN 203 Cb -0.12 -1.59 -0.04 0.00 -0.02 0.00 0.00 41.25 39.48 3hae s ASN 203 CO 0.16 -0.19 0.14 -0.69 -2.57 0.00 0.00 177.10 173.95 3hae s VAL 204 N 1.16 5.48 -0.03 1.60 1.01 -0.46 -1.05 120.40 128.10 3hae s VAL 204 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3hae s VAL 204 Cb -0.19 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3hae s VAL 204 CO -0.05 0.59 -0.01 0.21 0.00 0.00 0.00 175.10 175.85 3hae s ASN 205 N -1.11 0.61 -0.40 3.32 3.84 0.05 -1.97 114.94 119.28 3hae s ASN 205 Ca 0.16 -0.05 0.01 0.00 0.21 0.00 0.00 52.86 53.19 3hae s ASN 205 Cb -0.12 -0.29 0.13 0.00 -0.55 0.00 0.00 41.25 40.42 3hae s ASN 205 CO 0.05 -0.09 0.20 -2.28 -2.79 0.00 0.00 177.10 172.19 3hae s HIS 206 N 1.04 1.75 0.19 0.43 5.65 0.12 -2.20 115.29 122.26 3hae s HIS 206 Ca -0.10 -2.17 -0.12 0.00 0.25 0.00 0.00 55.06 52.93 3hae s HIS 206 Cb -0.14 -1.71 0.22 0.00 -1.18 0.00 0.00 32.58 29.77 3hae s HIS 206 CO -0.01 -0.81 1.71 0.87 -0.65 0.00 0.00 174.74 175.84 3hae h LYS 207 N 7.06 0.21 -0.53 2.88 6.56 -1.82 -2.50 116.57 128.44 3hae h LYS 207 Ca -0.03 -0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.65 3hae h LYS 207 Cb 0.95 -0.05 -0.11 0.00 -0.57 0.00 0.00 32.23 32.46 3hae h LYS 207 CO 0.45 0.14 -0.26 -1.35 -2.06 0.00 0.00 179.45 176.36 3hae h PRO 208 N 0.22 -0.13 -0.27 3.15 0.11 -1.93 -1.06 132.00 132.08 3hae h PRO 208 Ca 0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3hae h PRO 208 Cb 0.38 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3hae h PRO 208 CO -0.37 -0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 176.21 3hae n SER 209 N -5.42 1.50 -3.80 -2.05 3.41 -1.04 -4.94 113.62 101.27 3hae n SER 209 Ca 0.04 -1.96 -0.32 0.00 -0.26 0.00 0.00 58.87 56.37 3hae n SER 209 Cb 0.34 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3hae n SER 209 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hae n ASN 210 N 0.31 -3.81 -4.29 4.04 4.13 -0.40 -4.85 115.26 110.39 3hae n ASN 210 Ca 0.10 -1.05 -0.35 0.00 1.68 0.00 0.00 54.58 54.97 3hae n ASN 210 Cb 0.24 -3.10 -0.14 0.00 -1.54 0.00 0.00 39.78 35.24 3hae n ASN 210 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3hae s THR 211 N -3.61 3.17 -0.15 3.41 2.01 -0.97 -4.99 115.64 114.52 3hae s THR 211 Ca 0.35 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3hae s THR 211 Cb -0.14 -2.43 0.04 0.00 0.01 0.00 0.00 72.50 69.99 3hae s THR 211 CO 0.88 0.44 -0.01 -0.75 -0.69 0.00 0.00 174.62 174.49 3hae s LYS 212 N 1.40 0.98 -0.06 4.92 2.20 -1.26 -0.70 119.74 127.22 3hae s LYS 212 Ca 0.05 -0.33 0.05 0.00 -0.36 0.00 0.00 55.97 55.38 3hae s LYS 212 Cb -0.14 -1.78 -0.00 0.00 -1.51 0.00 0.00 37.83 34.40 3hae s LYS 212 CO -0.04 -0.46 -0.21 0.08 -0.36 0.00 0.00 175.35 174.35 3hae s VAL 213 N 1.79 1.75 -0.40 4.02 1.01 -0.83 -4.99 120.40 122.75 3hae s VAL 213 Ca 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3hae s VAL 213 Cb -0.15 -1.51 0.11 0.00 0.00 0.00 0.00 36.38 34.83 3hae s VAL 213 CO -0.07 0.49 0.14 -1.81 0.00 0.00 0.00 175.10 173.85 3hae s ASP 214 N 0.13 4.77 0.03 3.32 1.11 -1.26 -1.36 116.67 123.40 3hae s ASP 214 Ca -0.09 -2.36 -0.12 0.00 0.18 0.00 0.00 52.55 50.17 3hae s ASP 214 Cb -0.14 -1.67 -0.06 0.00 1.07 0.00 0.00 42.92 42.12 3hae s ASP 214 CO 0.05 -0.37 0.38 -0.75 1.18 0.00 0.00 175.17 175.65 3hae s LYS 215 N 0.63 3.80 -0.35 8.23 2.47 -0.70 -4.89 119.74 128.94 3hae s LYS 215 Ca 0.12 0.24 -0.17 0.00 -1.56 0.00 0.00 55.97 54.61 3hae s LYS 215 Cb -0.21 -3.11 -0.01 0.00 -1.46 0.00 0.00 37.83 33.04 3hae s LYS 215 CO -0.06 0.64 0.43 0.21 0.16 0.00 0.00 175.35 176.74 3hae s LYS 216 N -1.48 3.59 -0.54 4.03 2.20 -1.26 -1.43 119.74 124.85 3hae s LYS 216 Ca 0.27 -0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 55.32 3hae s LYS 216 Cb -0.15 -3.81 0.03 0.00 -1.51 0.00 0.00 37.83 32.40 3hae s LYS 216 CO 0.15 -0.58 1.09 0.08 -0.36 0.00 0.00 175.35 175.73 3hae s VAL 217 N 2.19 4.19 0.02 4.02 1.01 -0.14 -4.91 120.40 126.79 3hae s VAL 217 Ca 0.15 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.97 3hae s VAL 217 Cb -0.16 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 3hae s VAL 217 CO 0.12 -1.18 -0.16 -1.61 0.00 0.00 0.00 175.10 172.28 3hae s GLU 218 N 4.49 2.23 0.52 2.72 2.02 -1.26 -4.39 118.70 125.02 3hae s GLU 218 Ca 0.40 -0.89 -0.22 0.00 0.02 0.00 0.00 54.97 54.28 3hae s GLU 218 Cb -0.09 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 3hae s GLU 218 CO 0.25 0.57 1.21 -0.35 0.02 0.00 0.00 175.26 176.96 3hae n PRO 219 N 1.72 1.52 0.00 0.39 -0.04 -1.26 -4.47 135.00 132.86 3hae n PRO 219 Ca -0.16 0.56 0.16 0.00 -0.04 0.00 0.00 63.50 64.01 3hae n PRO 219 Cb 0.52 -2.38 0.91 0.00 -0.04 0.00 0.00 33.50 32.51 3hae n PRO 219 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82