#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae n VAL 2 N 0.00 -4.29 -4.15 2.62 0.31 -0.61 -5.02 118.33 107.20 3hae n VAL 2 Ca 0.00 0.40 -0.18 0.00 -0.01 0.00 0.00 64.34 64.55 3hae n VAL 2 Cb 0.00 -4.14 -0.16 0.00 -0.91 0.00 0.00 33.84 28.64 3hae n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hae s GLN 3 N -0.74 0.61 0.10 5.55 0.74 -1.10 -5.01 119.66 119.80 3hae s GLN 3 Ca -0.03 -0.12 0.07 0.00 0.05 0.00 0.00 55.36 55.32 3hae s GLN 3 Cb 0.00 -0.63 -0.03 0.00 1.10 0.00 0.00 33.01 33.45 3hae s GLN 3 CO 0.13 -0.00 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.17 3hae s LEU 4 N 0.49 2.31 -0.43 3.68 1.43 -1.26 -2.26 118.68 122.64 3hae s LEU 4 Ca -0.06 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 52.41 3hae s LEU 4 Cb -0.09 -0.74 0.17 0.00 0.03 0.00 0.00 46.19 45.55 3hae s LEU 4 CO -0.00 -0.00 0.52 -0.22 0.23 0.00 0.00 176.35 176.88 3hae s LEU 5 N -1.93 -0.53 0.32 1.79 2.96 -1.06 -4.42 118.68 115.82 3hae s LEU 5 Ca 0.04 -1.68 -0.29 0.00 -0.22 0.00 0.00 54.13 51.98 3hae s LEU 5 Cb -0.09 1.07 -0.10 0.00 0.50 0.00 0.00 46.19 47.57 3hae s LEU 5 CO 0.04 -0.17 1.35 -1.61 -1.32 0.00 0.00 176.35 174.63 3hae s GLU 6 N 1.16 4.32 0.16 1.98 8.01 -1.26 -2.13 118.70 130.94 3hae s GLU 6 Ca 0.23 2.27 -0.08 0.00 0.01 0.00 0.00 54.97 57.40 3hae s GLU 6 Cb -0.06 -3.07 -0.01 0.00 -4.31 0.00 0.00 34.13 26.68 3hae s GLU 6 CO -0.07 -0.26 0.25 -1.54 0.01 0.00 0.00 175.26 173.65 3hae s SER 7 N -0.31 0.08 -0.37 -0.19 1.04 -0.66 -4.87 113.70 108.41 3hae s SER 7 Ca 0.51 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 3hae s SER 7 Cb -0.41 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3hae s SER 7 CO 0.52 -0.88 0.12 0.61 0.98 0.00 0.00 173.24 174.60 3hae n GLY 8 N -0.21 0.36 0.00 7.32 0.00 -1.26 -1.88 105.19 109.52 3hae n GLY 8 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.94 0.79 4.77 -0.02 0.00 -1.26 -3.97 105.19 104.56 3hae n GLY 9 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 5.00 -1.80 3.75 -0.02 0.00 -0.03 -4.95 105.19 107.14 3hae n GLY 10 Ca 0.00 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 4.59 -0.08 0.99 2.96 -1.26 -2.52 118.68 123.36 3hae s LEU 11 Ca 0.00 2.07 -0.06 0.00 -0.22 0.00 0.00 54.13 55.92 3hae s LEU 11 Cb 0.00 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.11 3hae s LEU 11 CO 0.00 -0.01 0.20 0.54 -1.32 0.00 0.00 176.35 175.76 3hae s VAL 12 N -0.98 -0.02 0.01 1.68 0.11 -0.13 -4.96 120.40 116.12 3hae s VAL 12 Ca 0.44 0.06 -0.35 0.00 -2.93 0.00 0.00 61.98 59.20 3hae s VAL 12 Cb -0.28 -0.30 -0.14 0.00 -1.53 0.00 0.00 36.38 34.12 3hae s VAL 12 CO 0.36 0.03 1.66 1.67 -3.33 0.00 0.00 175.10 175.48 3hae n GLN 13 N 3.47 1.88 -1.66 1.54 7.27 -1.25 -0.81 117.38 127.82 3hae n GLN 13 Ca -0.18 0.68 -0.54 0.00 0.07 0.00 0.00 57.00 57.04 3hae n GLN 13 Cb 0.56 -2.45 -0.06 0.00 2.41 0.00 0.00 30.24 30.70 3hae n GLN 13 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3hae n PRO 14 N 4.58 1.31 0.00 3.69 -0.02 -1.26 -0.73 135.00 142.57 3hae n PRO 14 Ca 0.20 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3hae n PRO 14 Cb 0.26 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.53 1.33 0.00 -1.23 0.00 -0.34 -4.97 105.19 103.51 3hae n GLY 15 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.02 0.37 3.15 -0.02 0.00 0.09 -3.88 105.19 103.88 3hae n GLY 16 Ca 0.00 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.00 1.70 0.01 1.61 0.01 -1.26 -3.39 113.70 111.37 3hae s SER 17 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3hae s SER 17 Cb 0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 3hae s SER 17 CO 0.00 0.03 -0.05 -0.76 0.41 0.00 0.00 173.24 172.87 3hae s LEU 18 N -1.19 2.09 -0.38 2.44 2.01 -1.01 -5.00 118.68 117.63 3hae s LEU 18 Ca 0.01 -0.23 -0.01 0.00 0.01 0.00 0.00 54.13 53.91 3hae s LEU 18 Cb -0.08 -0.16 0.10 0.00 0.01 0.00 0.00 46.19 46.07 3hae s LEU 18 CO 0.01 -0.05 0.15 -0.60 1.01 0.00 0.00 176.35 176.88 3hae s ARG 19 N -0.59 1.93 0.28 1.70 3.52 -1.26 -0.42 118.95 124.11 3hae s ARG 19 Ca -0.03 -1.78 -0.28 0.00 -0.13 0.00 0.00 55.73 53.50 3hae s ARG 19 Cb -0.04 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 3hae s ARG 19 CO -0.00 -1.00 0.95 -0.51 -0.81 0.00 0.00 175.30 173.93 3hae s LEU 20 N 1.10 4.51 0.25 -0.88 1.43 -1.00 -4.73 118.68 119.35 3hae s LEU 20 Ca 0.08 1.92 0.09 0.00 -1.03 0.00 0.00 54.13 55.19 3hae s LEU 20 Cb -0.22 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 3hae s LEU 20 CO -0.05 0.04 -0.01 -0.44 0.23 0.00 0.00 176.35 176.12 3hae s SER 21 N -1.35 4.58 -0.08 2.29 0.01 -0.79 -0.68 113.70 117.69 3hae s SER 21 Ca 0.45 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 3hae s SER 21 Cb -0.23 -0.87 0.04 0.00 0.21 0.00 0.00 66.02 65.17 3hae s SER 21 CO 0.29 0.02 0.13 0.00 0.41 0.00 0.00 173.24 174.09 3hae s ALA 23 N 2.26 3.53 0.23 0.00 0.00 -0.90 -2.25 121.76 124.62 3hae s ALA 23 Ca 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3hae s ALA 23 Cb -0.12 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 3hae s ALA 23 CO -0.05 -0.78 0.46 0.00 0.00 0.00 0.00 175.76 175.39 3hae s ALA 24 N 1.97 3.72 0.10 0.00 0.00 -0.69 -2.56 121.76 124.31 3hae s ALA 24 Ca 0.12 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 3hae s ALA 24 Cb -0.16 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.84 3hae s ALA 24 CO 0.11 0.41 0.52 -1.54 0.00 0.00 0.00 175.76 175.25 3hae s SER 25 N -2.98 -0.43 -0.69 0.00 1.04 -0.96 -4.91 113.70 104.78 3hae s SER 25 Ca 0.42 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.78 3hae s SER 25 Cb -0.11 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3hae s SER 25 CO 0.28 -0.84 0.65 0.61 0.98 0.00 0.00 173.24 174.93 3hae n GLY 26 N -0.01 -1.14 0.00 7.32 0.00 -1.26 -2.73 105.19 107.37 3hae n GLY 26 Ca -0.17 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.62 0.00 -1.77 1.61 1.16 -1.26 -1.57 117.46 114.01 3hae n PHE 27 Ca -0.08 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.07 3hae n PHE 27 Cb 0.57 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.41 3hae n PHE 27 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 3hae s THR 28 N -1.02 3.20 0.09 1.97 2.01 -1.26 -4.82 115.64 115.81 3hae s THR 28 Ca 0.00 0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.28 3hae s THR 28 Cb 0.00 -3.23 -0.22 0.00 0.01 0.00 0.00 72.50 69.06 3hae s THR 28 CO 0.00 -0.12 1.16 0.15 -0.69 0.00 0.00 174.62 175.12 3hae h PHE 29 N 13.16 0.06 0.00 4.92 3.57 -1.97 -3.21 116.94 133.47 3hae h PHE 29 Ca -0.40 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3hae h PHE 29 Cb 1.21 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3hae h PHE 29 CO 0.94 1.04 0.00 -1.13 -2.23 0.00 0.00 178.31 176.93 3hae n SER 30 N -3.33 0.67 -0.01 0.41 3.41 -1.26 -2.43 113.62 111.08 3hae n SER 30 Ca -0.04 0.69 -0.16 0.00 -0.26 0.00 0.00 58.87 59.10 3hae n SER 30 Cb 0.97 -0.82 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 3hae n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hae n ALA 31 N -1.78 1.15 -1.77 7.33 0.00 -1.21 -4.47 120.51 119.76 3hae n ALA 31 Ca 0.01 -0.69 -0.40 0.00 0.00 0.00 0.00 53.44 52.36 3hae n ALA 31 Cb 0.19 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 3hae n ALA 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hae s TYR 32 N -2.57 2.87 0.19 0.00 1.51 -1.02 -4.67 117.35 113.65 3hae s TYR 32 Ca -0.16 1.37 -0.30 0.00 -1.01 0.00 0.00 57.07 56.97 3hae s TYR 32 Cb 0.07 -3.74 -0.08 0.00 -0.11 0.00 0.00 41.96 38.10 3hae s TYR 32 CO 0.79 -2.17 0.96 0.20 -1.11 0.00 0.00 175.55 174.22 3hae s GLY 33 N -0.52 3.06 0.40 0.71 0.00 -0.66 -4.11 107.32 106.19 3hae s GLY 33 Ca 0.53 0.63 0.08 0.00 0.00 0.00 0.00 44.72 45.95 3hae s GLY 33 CO 0.53 1.33 0.05 1.06 0.00 0.00 0.00 173.10 176.08 3hae s MET 34 N -0.69 2.04 0.00 2.90 1.00 -1.01 0.24 119.30 123.78 3hae s MET 34 Ca 0.44 -1.96 0.00 0.00 0.00 0.00 0.00 55.69 54.16 3hae s MET 34 Cb -0.25 -1.79 0.00 0.00 0.00 0.00 0.00 34.83 32.79 3hae s MET 34 CO 0.32 -0.03 0.00 0.41 0.00 0.00 0.00 175.02 175.72 3hae n GLY 35 N -1.03 -0.37 3.40 -0.03 0.00 0.98 -1.09 105.19 107.05 3hae n GLY 35 Ca -0.04 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 2.42 0.08 1.61 0.52 -0.38 -2.07 118.94 119.12 3hae s TRP 36 Ca 0.00 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.82 3hae s TRP 36 Cb 0.00 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.90 3hae s TRP 36 CO 0.00 0.22 -0.12 0.08 0.02 0.00 0.00 176.95 177.16 3hae s VAL 37 N -0.91 0.97 0.35 4.03 1.01 -0.81 -0.74 120.40 124.29 3hae s VAL 37 Ca 0.14 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.74 3hae s VAL 37 Cb -0.10 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 3hae s VAL 37 CO 0.04 -0.39 0.06 0.00 0.00 0.00 0.00 175.10 174.82 3hae s ARG 38 N -2.16 1.72 -0.29 2.72 1.70 -1.26 -0.68 118.95 120.70 3hae s ARG 38 Ca 0.00 -1.97 0.04 0.00 -0.47 0.00 0.00 55.73 53.33 3hae s ARG 38 Cb -0.07 -0.89 0.19 0.00 -0.57 0.00 0.00 34.95 33.60 3hae s ARG 38 CO 0.01 -0.22 0.53 -1.14 -1.08 0.00 0.00 175.30 173.40 3hae s GLN 39 N -3.86 0.51 0.37 3.89 0.74 -1.07 -0.40 119.66 119.84 3hae s GLN 39 Ca 0.34 0.46 -0.28 0.00 0.05 0.00 0.00 55.36 55.93 3hae s GLN 39 Cb 0.08 0.09 -0.11 0.00 1.10 0.00 0.00 33.01 34.17 3hae s GLN 39 CO 0.15 -1.00 1.46 0.00 -0.55 0.00 0.00 175.29 175.34 3hae s ALA 40 N 2.74 3.56 -0.33 1.58 0.00 -1.26 -2.85 121.76 125.20 3hae s ALA 40 Ca 0.11 1.52 -0.40 0.00 0.00 0.00 0.00 51.96 53.18 3hae s ALA 40 Cb -0.11 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.27 3hae s ALA 40 CO -0.27 -0.98 1.87 -0.35 0.00 0.00 0.00 175.76 176.03 3hae n PRO 41 N 0.57 0.96 0.00 0.00 -0.04 -1.26 0.08 135.00 135.30 3hae n PRO 41 Ca 0.01 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 3hae n PRO 41 Cb 0.40 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3hae n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hae n GLY 42 N 5.00 2.60 3.98 0.55 0.00 -1.26 -5.03 105.19 111.03 3hae n GLY 42 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.64 2.18 0.00 1.61 -0.14 0.11 -5.12 119.74 117.74 3hae s LYS 43 Ca 0.00 -0.92 0.00 0.00 -1.36 0.00 0.00 55.97 53.69 3hae s LYS 43 Cb 0.00 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 3hae s LYS 43 CO 0.00 -1.03 0.00 0.41 -0.76 0.00 0.00 175.35 173.97 3hae n GLY 44 N -2.56 -0.01 3.85 -3.33 0.00 -1.26 -4.61 105.19 97.27 3hae n GLY 44 Ca 0.11 -1.82 -0.36 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 4.41 -0.21 0.99 1.43 -1.26 -4.21 118.68 119.83 3hae s LEU 45 Ca 0.00 0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 53.82 3hae s LEU 45 Cb 0.00 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 43.34 3hae s LEU 45 CO 0.00 0.24 -0.30 1.21 0.23 0.00 0.00 176.35 177.73 3hae n GLU 46 N 1.34 0.54 -0.92 1.70 2.13 0.46 -4.95 120.64 120.95 3hae n GLU 46 Ca -0.11 0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.99 3hae n GLU 46 Cb 0.52 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.74 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 -4.42 0.00 -0.12 4.31 -0.00 -1.26 -4.90 117.44 111.06 3hae n TRP 47 Ca -0.26 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.01 3hae n TRP 47 Cb 0.61 -1.85 -0.09 0.00 -0.00 0.00 0.00 31.31 29.98 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 0.23 1.32 -3.58 5.87 0.31 0.08 -4.59 118.33 117.98 3hae n VAL 48 Ca 0.00 -0.39 -0.17 0.00 -0.01 0.00 0.00 64.34 63.77 3hae n VAL 48 Cb 0.00 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 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 -6.86 -0.54 0.11 4.52 0.15 -1.06 -2.08 113.70 107.94 3hae s SER 49 Ca -0.33 0.57 0.03 0.00 0.70 0.00 0.00 55.95 56.92 3hae s SER 49 Cb 0.11 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 3hae s SER 49 CO 0.46 -0.57 -0.08 -0.44 1.20 0.00 0.00 173.24 173.81 3hae s SER 50 N -1.21 1.38 -0.04 5.45 0.01 -1.03 -1.25 113.70 117.01 3hae s SER 50 Ca -0.12 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.18 3hae s SER 50 Cb -0.01 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.30 3hae s SER 50 CO 0.08 -0.38 0.08 -0.51 0.41 0.00 0.00 173.24 172.92 3hae s ILE 51 N -3.24 -0.06 0.75 1.44 2.07 -0.25 -2.03 121.20 119.89 3hae s ILE 51 Ca 0.11 0.21 -0.13 0.00 -1.41 0.00 0.00 60.65 59.43 3hae s ILE 51 Cb 0.02 -0.15 0.05 0.00 0.13 0.00 0.00 42.46 42.52 3hae s ILE 51 CO -0.02 0.08 1.12 -0.83 -1.91 0.00 0.00 174.94 173.39 3hae s GLY 52 N 1.13 1.95 0.14 1.50 0.00 -0.87 -2.39 107.32 108.78 3hae s GLY 52 Ca -0.09 0.51 -0.21 0.00 0.00 0.00 0.00 44.72 44.93 3hae s GLY 52 CO -0.04 0.88 1.21 -1.14 0.00 0.00 0.00 173.10 174.01 3hae n SER 53 N -3.12 -0.72 -2.32 1.64 3.41 -1.26 -1.57 113.62 109.68 3hae n SER 53 Ca 0.11 1.39 -0.34 0.00 -0.26 0.00 0.00 58.87 59.76 3hae n SER 53 Cb 0.52 -0.23 0.08 0.00 -0.26 0.00 0.00 64.21 64.33 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 -5.04 7.50 -0.14 4.04 3.41 -1.26 -4.70 113.62 117.44 3hae n SER 54 Ca 0.04 -3.78 0.01 0.00 -0.26 0.00 0.00 58.87 54.87 3hae n SER 54 Cb 0.24 -0.96 -0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 -0.92 -2.08 5.00 5.00 0.00 -0.61 -4.97 105.19 106.61 3hae n GLY 55 Ca 0.62 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.58 1.31 2.95 -0.02 0.00 -1.26 -4.33 105.19 103.26 3hae n GLY 56 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.75 3.91 -0.02 0.00 -1.26 -4.82 105.19 106.75 3hae n GLY 57 Ca 0.00 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 3.87 5.30 -0.06 2.61 -4.23 -1.26 -2.06 115.64 119.81 3hae s THR 58 Ca 0.50 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 3hae s THR 58 Cb 0.12 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.37 3hae s THR 58 CO -0.03 0.15 0.26 0.00 -0.54 0.00 0.00 174.62 174.47 3hae s ALA 59 N -1.51 -0.65 0.05 3.99 0.00 -0.86 -5.02 121.76 117.75 3hae s ALA 59 Ca 0.35 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.86 3hae s ALA 59 Cb -0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3hae s ALA 59 CO 0.24 -0.18 -0.08 0.71 0.00 0.00 0.00 175.76 176.45 3hae s TYR 60 N -0.47 0.73 -0.06 0.00 2.02 -1.26 -2.46 117.35 115.84 3hae s TYR 60 Ca -0.06 -0.52 -0.28 0.00 -0.37 0.00 0.00 57.07 55.84 3hae s TYR 60 Cb -0.04 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 41.07 3hae s TYR 60 CO 0.02 -0.08 0.90 0.00 -1.57 0.00 0.00 175.55 174.82 3hae s ALA 61 N -1.51 3.29 0.12 3.71 0.00 -0.88 -4.83 121.76 121.65 3hae s ALA 61 Ca -0.08 0.36 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 3hae s ALA 61 Cb -0.09 -3.26 0.27 0.00 0.00 0.00 0.00 23.12 20.04 3hae s ALA 61 CO 0.00 -0.32 0.61 -0.25 0.00 0.00 0.00 175.76 175.81 3hae n ASP 62 N 4.24 -0.07 0.00 0.00 10.43 -1.26 0.56 116.55 130.44 3hae n ASP 62 Ca 0.05 0.67 0.12 0.00 2.57 0.00 0.00 54.79 58.19 3hae n ASP 62 Cb 0.50 -0.23 0.68 0.00 1.84 0.00 0.00 41.12 43.91 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 -4.45 0.00 0.00 -2.24 3.41 -1.26 -3.08 113.62 106.00 3hae n SER 63 Ca 0.08 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 3hae n SER 63 Cb 0.27 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.04 0.00 -1.17 -3.33 0.24 0.19 -5.05 118.33 108.17 3hae n VAL 64 Ca 0.17 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 62.01 3hae n VAL 64 Cb 0.09 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.39 0.00 -0.34 7.34 4.81 -0.72 -0.93 118.16 126.94 3hae n LYS 65 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hae n LYS 65 Cb 0.19 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.15 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 1.87 1.01 0.00 3.14 0.00 -1.26 -4.80 105.19 105.15 3hae n GLY 66 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 2.18 -5.05 1.61 1.74 -0.11 -5.04 116.66 109.99 3hae n ARG 67 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3hae n ARG 67 Cb 0.00 -0.83 -0.14 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.42 2.56 -0.11 -1.55 0.40 -1.13 -0.83 117.98 115.90 3hae s PHE 68 Ca 0.00 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 3hae s PHE 68 Cb 0.00 -1.59 0.04 0.00 0.51 0.00 0.00 43.02 41.98 3hae s PHE 68 CO 0.00 0.08 0.02 0.99 0.70 0.00 0.00 175.22 177.01 3hae s THR 69 N -0.63 0.32 0.24 0.64 2.01 -0.05 -4.84 115.64 113.33 3hae s THR 69 Ca 0.10 -0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 3hae s THR 69 Cb -0.11 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.69 3hae s THR 69 CO 0.00 0.09 0.86 -0.51 -0.69 0.00 0.00 174.62 174.37 3hae s ILE 70 N 1.98 4.27 0.35 1.82 2.07 -1.26 -0.33 121.20 130.10 3hae s ILE 70 Ca 0.03 1.78 0.03 0.00 -1.41 0.00 0.00 60.65 61.08 3hae s ILE 70 Cb -0.14 -4.11 -0.01 0.00 0.13 0.00 0.00 42.46 38.33 3hae s ILE 70 CO -0.06 0.36 0.40 -1.54 -1.91 0.00 0.00 174.94 172.20 3hae n SER 71 N 1.14 -1.09 -3.56 4.50 3.41 -0.92 -4.96 113.62 112.13 3hae n SER 71 Ca -0.02 -3.08 -0.14 0.00 -0.26 0.00 0.00 58.87 55.37 3hae n SER 71 Cb 0.49 2.20 -0.06 0.00 -0.26 0.00 0.00 64.21 66.58 3hae n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hae s ARG 72 N -3.08 0.81 -0.16 4.33 1.70 -1.26 -0.92 118.95 120.37 3hae s ARG 72 Ca 0.35 0.32 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 3hae s ARG 72 Cb 0.00 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 3hae s ARG 72 CO 0.25 -0.23 -0.14 0.34 -1.08 0.00 0.00 175.30 174.44 3hae s ASP 73 N -0.87 2.81 0.26 -2.89 3.68 -0.27 -4.96 116.67 114.43 3hae s ASP 73 Ca -0.05 -0.55 0.13 0.00 2.13 0.00 0.00 52.55 54.21 3hae s ASP 73 Cb -0.01 -1.19 0.21 0.00 -1.45 0.00 0.00 42.92 40.47 3hae s ASP 73 CO 0.04 -0.07 1.51 0.78 0.13 0.00 0.00 175.17 177.56 3hae h ASN 74 N 8.04 0.00 0.57 -0.34 4.21 -1.97 -2.50 115.58 123.59 3hae h ASN 74 Ca -0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.14 3hae h ASN 74 Cb 1.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 3hae h ASN 74 CO 0.52 0.62 0.00 -1.54 -1.29 0.00 0.00 177.43 175.75 3hae n SER 75 N -3.44 0.23 0.00 5.81 3.41 -1.26 -2.69 113.62 115.67 3hae n SER 75 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3hae n SER 75 Cb 0.71 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.75 -0.84 -4.11 4.33 5.02 -1.16 -5.04 118.16 114.61 3hae n LYS 76 Ca 0.03 -0.54 -0.35 0.00 -2.02 0.00 0.00 58.31 55.43 3hae n LYS 76 Cb 0.19 -1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.02 -1.58 -3.84 4.39 4.13 -1.08 -4.84 115.26 112.42 3hae n ASN 77 Ca 0.00 -1.21 -0.18 0.00 1.68 0.00 0.00 54.58 54.87 3hae n ASN 77 Cb 0.01 -2.07 -0.16 0.00 -1.54 0.00 0.00 39.78 36.02 3hae n ASN 77 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3hae s THR 78 N -3.94 0.29 -0.20 3.41 -4.23 -0.96 -1.70 115.64 108.32 3hae s THR 78 Ca 0.21 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.60 3hae s THR 78 Cb -0.11 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 3hae s THR 78 CO 0.96 0.17 0.34 -0.22 -0.54 0.00 0.00 174.62 175.32 3hae s LEU 79 N 0.99 4.17 0.25 4.79 2.96 -0.95 -1.12 118.68 129.77 3hae s LEU 79 Ca -0.10 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 3hae s LEU 79 Cb -0.14 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3hae s LEU 79 CO -0.01 -0.01 0.38 -0.31 -1.32 0.00 0.00 176.35 175.07 3hae s TYR 80 N 1.07 3.45 -0.27 5.38 2.02 -0.10 -1.52 117.35 127.37 3hae s TYR 80 Ca 0.17 0.00 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 3hae s TYR 80 Cb -0.14 -1.60 0.11 0.00 -0.40 0.00 0.00 41.96 39.93 3hae s TYR 80 CO 0.06 0.41 0.19 -1.17 -1.57 0.00 0.00 175.55 173.48 3hae s LEU 81 N -4.01 0.20 -0.07 -1.29 2.96 0.15 -2.16 118.68 114.46 3hae s LEU 81 Ca 0.35 -0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 3hae s LEU 81 Cb -0.09 0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.60 3hae s LEU 81 CO 0.30 -0.41 1.00 -1.58 -1.32 0.00 0.00 176.35 174.34 3hae s GLN 82 N 2.21 4.47 -0.12 1.98 2.00 0.55 -2.36 119.66 128.39 3hae s GLN 82 Ca 0.08 1.40 0.02 0.00 -2.00 0.00 0.00 55.36 54.87 3hae s GLN 82 Cb -0.15 -3.51 0.01 0.00 0.80 0.00 0.00 33.01 30.16 3hae s GLN 82 CO -0.31 -0.22 -0.20 -1.64 -0.50 0.00 0.00 175.29 172.42 3hae s MET 83 N 1.64 2.74 0.48 1.67 -1.94 0.44 -0.87 119.30 123.47 3hae s MET 83 Ca 0.50 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.74 3hae s MET 83 Cb -0.19 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 3hae s MET 83 CO 0.22 -0.01 0.04 -0.80 -0.01 0.00 0.00 175.02 174.46 3hae s ASN 84 N 0.82 3.75 -1.38 3.03 0.01 -0.01 -2.40 114.94 118.76 3hae s ASN 84 Ca -0.08 -1.67 -0.08 0.00 -0.71 0.00 0.00 52.86 50.32 3hae s ASN 84 Cb -0.16 0.54 0.08 0.00 0.41 0.00 0.00 41.25 42.12 3hae s ASN 84 CO -0.01 -0.89 0.19 -1.20 -1.51 0.00 0.00 177.10 173.69 3hae n SER 85 N -1.29 -0.12 -4.76 -1.22 7.64 -1.22 -4.80 113.62 107.85 3hae n SER 85 Ca -0.16 -1.04 -0.40 0.00 1.01 0.00 0.00 58.87 58.28 3hae n SER 85 Cb 0.66 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 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 -6.40 4.50 0.37 -3.43 1.43 -1.23 -4.78 118.68 109.14 3hae s LEU 86 Ca 0.27 2.43 0.08 0.00 -1.03 0.00 0.00 54.13 55.88 3hae s LEU 86 Cb -0.16 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 3hae s LEU 86 CO 0.83 -0.30 0.23 -0.13 0.23 0.00 0.00 176.35 177.21 3hae s ARG 87 N -1.60 2.44 0.52 1.70 0.52 -1.26 -1.19 118.95 120.08 3hae s ARG 87 Ca 0.46 -1.56 0.19 0.00 -0.52 0.00 0.00 55.73 54.31 3hae s ARG 87 Cb -0.35 -2.24 1.35 0.00 0.52 0.00 0.00 34.95 34.23 3hae s ARG 87 CO 0.46 -0.01 2.14 0.00 0.02 0.00 0.00 175.30 177.90 3hae h ALA 88 N 1.35 1.79 0.00 2.13 0.00 -1.97 -1.88 119.26 120.68 3hae h ALA 88 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hae h ALA 88 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hae h ALA 88 CO 0.62 0.06 0.00 0.39 0.00 0.00 0.00 179.25 180.32 3hae n GLU 89 N -4.29 0.10 0.06 0.00 4.71 -1.26 -2.57 120.64 117.39 3hae n GLU 89 Ca -0.03 0.17 0.12 0.00 -0.01 0.00 0.00 57.16 57.41 3hae n GLU 89 Cb 0.13 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.13 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 -1.42 0.68 -4.62 1.62 8.00 -0.71 -4.85 116.55 115.25 3hae n ASP 90 Ca 0.06 0.05 -0.52 0.00 0.71 0.00 0.00 54.79 55.09 3hae n ASP 90 Cb 0.18 0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 41.73 3hae n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hae n THR 91 N -2.20 0.07 -1.86 -3.53 -1.04 -1.06 -4.86 114.28 99.79 3hae n THR 91 Ca 0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hae n THR 91 Cb 0.47 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 3hae n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hae n ALA 92 N 3.25 0.00 -3.08 2.41 0.00 -0.18 -4.55 120.51 118.35 3hae n ALA 92 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 3hae n ALA 92 Cb 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.59 4.23 -0.25 0.00 1.01 -1.13 -0.89 120.40 120.78 3hae s VAL 93 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3hae s VAL 93 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3hae s VAL 93 CO 0.00 0.27 0.33 -0.31 0.00 0.00 0.00 175.10 175.39 3hae s TYR 94 N 1.59 3.29 -0.17 5.22 2.02 0.25 -2.59 117.35 126.96 3hae s TYR 94 Ca 0.06 0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 57.06 3hae s TYR 94 Cb -0.16 -2.49 -0.05 0.00 -0.40 0.00 0.00 41.96 38.87 3hae s TYR 94 CO 0.03 -0.11 0.17 0.71 -1.57 0.00 0.00 175.55 174.78 3hae s TYR 95 N 1.66 3.46 0.29 2.71 2.02 0.14 -1.29 117.35 126.34 3hae s TYR 95 Ca 0.14 0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 57.00 3hae s TYR 95 Cb -0.15 -2.17 -0.09 0.00 -0.40 0.00 0.00 41.96 39.15 3hae s TYR 95 CO 0.09 0.36 0.95 0.00 -1.57 0.00 0.00 175.55 175.37 3hae s ALA 97 N -1.41 -1.77 0.02 0.00 0.00 -0.88 -0.34 121.76 117.38 3hae s ALA 97 Ca 0.46 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 3hae s ALA 97 Cb -0.22 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3hae s ALA 97 CO 0.28 -0.58 0.03 0.20 0.00 0.00 0.00 175.76 175.70 3hae s GLY 98 N -2.04 0.18 -0.11 0.00 0.00 0.14 -0.02 107.32 105.46 3hae s GLY 98 Ca -0.01 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.29 3hae s GLY 98 CO -0.04 -0.55 -0.23 -1.83 0.00 0.00 0.00 173.10 170.45 3hae s GLU 99 N -1.58 3.06 0.26 2.90 -1.05 0.66 -1.65 118.70 121.30 3hae s GLU 99 Ca -0.14 -0.86 -0.02 0.00 -0.15 0.00 0.00 54.97 53.79 3hae s GLU 99 Cb -0.08 -2.35 0.52 0.00 -0.44 0.00 0.00 34.13 31.78 3hae s GLU 99 CO -0.01 0.14 1.72 1.25 0.95 0.00 0.00 175.26 179.32 3hae h LEU 100 N 6.84 0.29 -8.28 1.83 5.85 -1.82 -1.75 115.31 118.27 3hae h LEU 100 Ca -0.22 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 3hae h LEU 100 Cb 1.23 0.10 -0.15 0.00 0.37 0.00 0.00 40.66 42.21 3hae h LEU 100 CO 0.49 0.09 -0.64 -0.76 -0.34 0.00 0.00 178.44 177.28 3hae s LEU 101 N -10.46 2.12 0.16 2.25 1.43 -1.26 -4.66 118.68 108.27 3hae s LEU 101 Ca -0.12 -1.06 -0.33 0.00 -1.03 0.00 0.00 54.13 51.59 3hae s LEU 101 Cb 0.22 0.31 -0.13 0.00 0.03 0.00 0.00 46.19 46.61 3hae s LEU 101 CO 0.77 -0.66 1.62 -2.65 0.23 0.00 0.00 176.35 175.66 3hae n PRO 102 N 0.02 2.29 -0.86 1.29 -0.02 -1.26 -2.25 135.00 134.20 3hae n PRO 102 Ca -0.11 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3hae n PRO 102 Cb 0.62 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.69 0.00 0.02 6.00 4.01 -1.26 -4.90 117.16 124.72 3hae n TYR 103 Ca 0.17 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.95 3hae n TYR 103 Cb 0.30 -0.89 0.44 0.00 -0.31 0.00 0.00 39.34 38.88 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 0.48 0.00 -0.72 3.20 -1.85 -3.49 116.97 114.60 3hae h TYR 104 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3hae h TYR 104 Cb 0.24 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3hae h TYR 104 CO 0.15 0.31 0.00 0.41 -1.64 0.00 0.00 178.16 177.39 3hae n GLY 105 N -1.48 0.83 3.61 1.82 0.00 -1.26 -4.93 105.19 103.78 3hae n GLY 105 Ca 0.03 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.87 3.50 0.03 1.61 1.75 -1.26 -4.51 119.30 116.55 3hae s MET 106 Ca 0.00 1.33 0.22 0.00 -1.25 0.00 0.00 55.69 56.00 3hae s MET 106 Cb 0.00 -4.11 -0.05 0.00 2.84 0.00 0.00 34.83 33.51 3hae s MET 106 CO 0.00 -1.66 0.93 -0.40 -0.65 0.00 0.00 175.02 173.24 3hae n ASP 107 N 9.48 0.58 -4.08 1.11 5.75 -0.87 -4.88 116.55 123.64 3hae n ASP 107 Ca 0.20 -0.28 -0.31 0.00 -0.01 0.00 0.00 54.79 54.39 3hae n ASP 107 Cb 0.47 1.00 -0.16 0.00 -1.03 0.00 0.00 41.12 41.39 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 -3.22 1.78 0.08 2.12 1.01 -0.66 -5.00 120.40 116.52 3hae s VAL 108 Ca 0.02 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3hae s VAL 108 Cb 0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3hae s VAL 108 CO 0.83 0.50 -0.21 0.26 0.00 0.00 0.00 175.10 176.47 3hae s TRP 109 N 1.22 1.84 0.90 5.22 0.52 -1.26 0.23 118.94 127.61 3hae s TRP 109 Ca 0.01 -0.40 -0.13 0.00 0.02 0.00 0.00 56.10 55.60 3hae s TRP 109 Cb -0.14 -1.04 0.17 0.00 -1.15 0.00 0.00 33.47 31.32 3hae s TRP 109 CO -0.08 0.18 1.25 0.20 0.02 0.00 0.00 176.95 178.51 3hae s GLY 110 N -1.67 1.76 0.14 0.98 0.00 0.53 -4.62 107.32 104.44 3hae s GLY 110 Ca 0.07 -1.21 0.25 0.00 0.00 0.00 0.00 44.72 43.83 3hae s GLY 110 CO 0.04 -0.51 1.46 -1.06 0.00 0.00 0.00 173.10 173.02 3hae n GLN 111 N -3.55 0.28 0.00 2.90 3.00 -1.26 -4.80 117.38 113.95 3hae n GLN 111 Ca 0.14 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 3hae n GLN 111 Cb 0.60 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.12 3hae n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hae n GLY 112 N 1.33 -1.28 3.34 1.08 0.00 -1.26 -4.99 105.19 103.41 3hae n GLY 112 Ca 0.04 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.22 1.91 -0.28 2.61 -1.32 -0.41 -4.94 115.64 109.98 3hae s THR 113 Ca 0.00 -1.84 -0.17 0.00 -1.21 0.00 0.00 61.69 58.47 3hae s THR 113 Cb 0.00 -1.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.14 3hae s THR 113 CO 0.00 -0.20 0.48 -0.89 -2.21 0.00 0.00 174.62 171.80 3hae s THR 114 N -1.72 5.09 -0.07 5.08 2.01 -1.26 -0.58 115.64 124.19 3hae s THR 114 Ca 0.14 0.72 -0.14 0.00 0.31 0.00 0.00 61.69 62.71 3hae s THR 114 Cb -0.07 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 3hae s THR 114 CO 0.07 0.06 0.36 -0.69 -0.69 0.00 0.00 174.62 173.73 3hae s VAL 115 N 2.26 5.16 -0.02 3.82 1.01 -0.07 -0.85 120.40 131.72 3hae s VAL 115 Ca 0.19 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.91 3hae s VAL 115 Cb -0.16 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.56 3hae s VAL 115 CO 0.10 0.50 -0.03 -0.89 0.00 0.00 0.00 175.10 174.79 3hae s THR 116 N -0.47 0.28 -0.34 3.92 2.01 -1.05 -1.01 115.64 118.99 3hae s THR 116 Ca 0.22 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 3hae s THR 116 Cb -0.15 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.07 3hae s THR 116 CO 0.10 0.12 0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 3hae s VAL 117 N 0.42 4.60 -0.02 3.82 1.01 -1.26 -0.95 120.40 128.01 3hae s VAL 117 Ca -0.04 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 3hae s VAL 117 Cb -0.07 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.92 3hae s VAL 117 CO -0.01 -0.06 0.50 -0.44 0.00 0.00 0.00 175.10 175.09 3hae s SER 118 N 1.59 -0.43 0.43 3.32 0.01 0.01 -4.79 113.70 113.84 3hae s SER 118 Ca 0.03 0.37 0.30 0.00 1.31 0.00 0.00 55.95 57.96 3hae s SER 118 Cb -0.18 0.44 1.47 0.00 0.21 0.00 0.00 66.02 67.96 3hae s SER 118 CO 0.06 -0.56 1.91 0.28 0.41 0.00 0.00 173.24 175.34 3hae h SER 119 N 3.33 0.00 -3.97 2.44 0.02 -1.97 -3.33 113.55 110.07 3hae h SER 119 Ca -0.29 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.22 3hae h SER 119 Cb 1.17 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.86 3hae h SER 119 CO 0.40 0.00 0.26 0.00 -1.14 0.00 0.00 176.83 176.34 3hae s ALA 120 N -3.66 1.39 0.09 3.77 0.00 -1.26 -5.02 121.76 117.07 3hae s ALA 120 Ca -0.01 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.32 3hae s ALA 120 Cb 0.09 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 3hae s ALA 120 CO 0.36 -2.72 -0.02 -1.12 0.00 0.00 0.00 175.76 172.25 3hae s SER 121 N -3.99 4.91 -0.22 0.00 0.01 -1.26 -4.94 113.70 108.22 3hae s SER 121 Ca 0.67 -0.21 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 3hae s SER 121 Cb -0.13 -1.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.95 3hae s SER 121 CO 0.55 0.18 0.79 0.28 0.41 0.00 0.00 173.24 175.45 3hae s THR 122 N -1.29 4.88 -0.05 1.44 -1.32 -1.26 -4.78 115.64 113.26 3hae s THR 122 Ca 0.25 1.51 0.06 0.00 -1.21 0.00 0.00 61.69 62.30 3hae s THR 122 Cb -0.12 -4.09 -0.01 0.00 -1.51 0.00 0.00 72.50 66.77 3hae s THR 122 CO 0.17 -0.01 -0.24 -0.75 -2.21 0.00 0.00 174.62 171.58 3hae s LYS 123 N 2.50 2.43 0.32 7.08 2.20 0.27 -4.90 119.74 129.64 3hae s LYS 123 Ca 0.35 -0.88 -0.25 0.00 -0.36 0.00 0.00 55.97 54.83 3hae s LYS 123 Cb -0.16 -2.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.98 3hae s LYS 123 CO 0.09 0.38 0.92 0.20 -0.36 0.00 0.00 175.35 176.59 3hae s GLY 124 N -0.18 2.75 0.46 5.54 0.00 -1.26 -2.23 107.32 112.41 3hae s GLY 124 Ca -0.03 0.48 -0.19 0.00 0.00 0.00 0.00 44.72 44.98 3hae s GLY 124 CO 0.03 0.90 0.97 2.56 0.00 0.00 0.00 173.10 177.56 3hae s PRO 125 N -2.14 4.10 -0.18 2.90 0.04 -1.26 -4.68 135.00 133.78 3hae s PRO 125 Ca 0.51 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 3hae s PRO 125 Cb -0.18 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 3hae s PRO 125 CO 0.23 -0.14 0.25 -1.12 0.04 0.00 0.00 177.00 176.25 3hae s SER 126 N -2.51 6.34 -0.09 6.66 0.01 -0.37 -4.90 113.70 118.84 3hae s SER 126 Ca 0.61 0.39 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 3hae s SER 126 Cb -0.10 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 3hae s SER 126 CO 0.20 0.10 0.03 -0.69 0.41 0.00 0.00 173.24 173.29 3hae s VAL 127 N 0.60 4.53 0.00 3.43 1.01 -1.26 -2.01 120.40 126.70 3hae s VAL 127 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3hae s VAL 127 Cb -0.13 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3hae s VAL 127 CO 0.03 0.61 -0.11 -0.36 0.00 0.00 0.00 175.10 175.26 3hae s PHE 128 N -0.88 0.97 0.23 5.22 0.08 0.47 -5.00 117.98 119.06 3hae s PHE 128 Ca 0.13 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.65 3hae s PHE 128 Cb -0.11 -0.61 -0.09 0.00 -0.57 0.00 0.00 43.02 41.63 3hae s PHE 128 CO 0.03 -0.01 1.35 -2.14 -0.10 0.00 0.00 175.22 174.34 3hae s PRO 129 N -0.50 4.35 -0.83 0.24 0.02 -1.26 -1.12 135.00 135.90 3hae s PRO 129 Ca 0.03 2.15 -0.08 0.00 0.02 0.00 0.00 61.00 63.11 3hae s PRO 129 Cb -0.05 -3.15 0.21 0.00 0.02 0.00 0.00 34.50 31.53 3hae s PRO 129 CO -0.00 -0.29 0.73 -0.51 -0.33 0.00 0.00 177.00 176.60 3hae s LEU 130 N -0.41 6.11 0.20 -5.54 1.43 0.86 -4.78 118.68 116.55 3hae s LEU 130 Ca 0.56 -3.03 -0.31 0.00 -1.03 0.00 0.00 54.13 50.33 3hae s LEU 130 Cb -0.38 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.67 3hae s LEU 130 CO 0.41 -0.42 1.45 0.00 0.23 0.00 0.00 176.35 178.02 3hae s ALA 131 N -0.34 3.65 0.40 4.21 0.00 -1.26 -4.11 121.76 124.30 3hae s ALA 131 Ca 0.21 1.28 -0.25 0.00 0.00 0.00 0.00 51.96 53.20 3hae s ALA 131 Cb -0.12 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 3hae s ALA 131 CO -0.08 -0.70 0.92 -2.30 0.00 0.00 0.00 175.76 173.60 3hae n PRO 132 N 3.03 1.19 -2.75 0.00 -0.02 -1.26 -4.88 135.00 130.31 3hae n PRO 132 Ca 0.09 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 3hae n PRO 132 Cb 0.40 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 3hae n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hae s SER 133 N -0.76 7.62 -0.12 2.55 0.15 -1.26 -4.33 113.70 117.55 3hae s SER 133 Ca 0.63 1.95 0.13 0.00 0.70 0.00 0.00 55.95 59.35 3hae s SER 133 Cb -0.59 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 61.69 3hae s SER 133 CO 0.57 0.14 1.44 -1.20 1.20 0.00 0.00 173.24 175.39 3hae n SER 134 N 1.42 4.08 -0.02 5.45 7.64 -1.26 -3.96 113.62 126.98 3hae n SER 134 Ca -0.02 -2.48 0.03 0.00 1.01 0.00 0.00 58.87 57.42 3hae n SER 134 Cb 0.47 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 3hae n SER 134 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3hae n LYS 135 N 0.70 0.81 0.00 1.43 5.02 -1.26 -4.20 118.16 120.66 3hae n LYS 135 Ca 0.20 -0.07 0.05 0.00 -2.02 0.00 0.00 58.31 56.47 3hae n LYS 135 Cb 0.81 -1.25 0.24 0.00 -0.02 0.00 0.00 35.03 34.81 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 -1.98 0.00 0.00 4.39 2.88 -1.25 -3.40 113.62 114.25 3hae n SER 136 Ca -0.05 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 3hae n SER 136 Cb 0.40 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 3hae n SER 136 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3hae n THR 137 N -1.43 0.00 0.00 2.46 -1.04 -1.26 -3.11 114.28 109.90 3hae n THR 137 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3hae n THR 137 Cb 0.11 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3hae n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hae n SER 138 N -0.68 0.00 -4.30 8.00 3.41 -1.22 -4.94 113.62 113.89 3hae n SER 138 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3hae n SER 138 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3hae n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 139 N 3.46 -0.24 5.00 5.00 0.00 -1.18 -4.54 105.19 112.69 3hae n GLY 139 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 5.37 -0.04 0.00 -0.02 0.00 -1.26 -4.72 105.19 104.51 3hae n GLY 140 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3hae n GLY 140 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hae n THR 141 N 0.00 0.00 -3.70 2.61 5.66 -1.26 -3.13 114.28 114.46 3hae n THR 141 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 3hae n THR 141 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 3hae n THR 141 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hae s ALA 142 N -2.00 -1.05 -0.10 1.79 0.00 -0.79 -4.54 121.76 115.07 3hae s ALA 142 Ca 0.00 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.64 3hae s ALA 142 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 3hae s ALA 142 CO 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 175.76 175.26 3hae s ALA 143 N -1.17 2.25 0.13 0.00 0.00 -1.26 -0.92 121.76 120.79 3hae s ALA 143 Ca -0.12 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 3hae s ALA 143 Cb -0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3hae s ALA 143 CO 0.05 0.29 0.19 -0.48 0.00 0.00 0.00 175.76 175.82 3hae s LEU 144 N 0.30 1.35 0.00 0.00 2.34 -0.92 -4.02 118.68 117.73 3hae s LEU 144 Ca -0.16 -0.87 0.00 0.00 0.06 0.00 0.00 54.13 53.16 3hae s LEU 144 Cb -0.17 0.92 0.00 0.00 -0.56 0.00 0.00 46.19 46.38 3hae s LEU 144 CO 0.08 -0.79 0.00 0.61 -1.06 0.00 0.00 176.35 175.19 3hae n GLY 145 N -0.12 -1.07 2.77 -3.48 0.00 -1.21 0.29 105.19 102.37 3hae n GLY 145 Ca -0.10 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 1.80 4.20 -0.16 0.00 2.96 -0.27 -1.13 118.68 126.08 3hae s LEU 147 Ca -0.01 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 3hae s LEU 147 Cb -0.17 -3.04 0.01 0.00 0.50 0.00 0.00 46.19 43.48 3hae s LEU 147 CO -0.08 -0.27 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.81 3hae s VAL 148 N 1.71 2.38 -0.02 1.68 1.01 -1.01 -0.39 120.40 125.76 3hae s VAL 148 Ca 0.34 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3hae s VAL 148 Cb -0.16 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3hae s VAL 148 CO 0.13 0.53 -0.06 -0.75 0.00 0.00 0.00 175.10 174.94 3hae s LYS 149 N 0.94 0.71 -1.00 2.72 2.47 -0.85 -2.75 119.74 121.98 3hae s LYS 149 Ca -0.03 -0.21 -0.03 0.00 -1.56 0.00 0.00 55.97 54.14 3hae s LYS 149 Cb -0.15 -0.70 -0.03 0.00 -1.46 0.00 0.00 37.83 35.49 3hae s LYS 149 CO -0.03 0.06 0.86 -0.25 0.16 0.00 0.00 175.35 176.15 3hae n ASP 150 N 3.36 -4.15 -4.49 1.43 8.00 -0.91 -1.24 116.55 118.56 3hae n ASP 150 Ca -0.18 -0.59 -0.24 0.00 0.71 0.00 0.00 54.79 54.48 3hae n ASP 150 Cb 0.55 -4.68 -0.10 0.00 -0.02 0.00 0.00 41.12 36.87 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 -3.34 2.37 -0.26 1.24 1.13 -0.88 -4.40 117.35 113.21 3hae s TYR 151 Ca 0.21 -0.31 -0.23 0.00 -1.41 0.00 0.00 57.07 55.33 3hae s TYR 151 Cb -0.03 -1.06 0.07 0.00 -1.10 0.00 0.00 41.96 39.84 3hae s TYR 151 CO 0.66 0.66 0.69 0.12 -2.51 0.00 0.00 175.55 175.17 3hae s PHE 152 N -2.31 -0.81 0.00 -3.49 5.36 -0.95 -0.06 117.98 115.72 3hae s PHE 152 Ca 0.28 1.90 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 3hae s PHE 152 Cb -0.06 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 3hae s PHE 152 CO 0.15 -0.39 0.00 -0.35 -1.46 0.00 0.00 175.22 173.16 3hae n PRO 153 N 3.00 1.14 -1.74 10.12 -0.04 -1.26 0.94 135.00 147.16 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 0.09 0.00 -0.04 0.00 0.00 33.50 34.10 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 -0.81 2.11 0.34 0.54 0.41 -1.26 -4.79 118.70 115.24 3hae s GLU 154 Ca 0.00 0.39 0.07 0.00 -0.41 0.00 0.00 54.97 55.02 3hae s GLU 154 Cb 0.00 -1.94 -0.02 0.00 -1.78 0.00 0.00 34.13 30.39 3hae s GLU 154 CO 0.00 -1.55 0.41 -1.25 -0.49 0.00 0.00 175.26 172.38 3hae s PRO 155 N -5.35 2.96 0.01 0.39 0.04 -1.26 -4.92 135.00 126.87 3hae s PRO 155 Ca 0.61 -1.13 0.02 0.00 0.04 0.00 0.00 61.00 60.54 3hae s PRO 155 Cb -0.13 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3hae s PRO 155 CO 0.52 0.06 -0.00 0.08 0.04 0.00 0.00 177.00 177.70 3hae s VAL 156 N -2.23 4.10 -0.17 -0.36 1.01 -1.26 -4.45 120.40 117.04 3hae s VAL 156 Ca 0.44 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3hae s VAL 156 Cb -0.08 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3hae s VAL 156 CO 0.29 0.36 -0.17 -0.89 0.00 0.00 0.00 175.10 174.69 3hae s THR 157 N -1.10 2.43 0.09 3.92 2.01 0.50 -4.98 115.64 118.52 3hae s THR 157 Ca 0.20 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.37 3hae s THR 157 Cb -0.11 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3hae s THR 157 CO 0.11 0.52 0.22 -0.69 -0.69 0.00 0.00 174.62 174.08 3hae s VAL 158 N 1.05 5.25 -0.03 3.82 1.01 -1.26 -1.11 120.40 129.12 3hae s VAL 158 Ca -0.01 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3hae s VAL 158 Cb -0.14 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.70 3hae s VAL 158 CO -0.05 0.06 0.69 -0.94 0.00 0.00 0.00 175.10 174.86 3hae s SER 159 N -2.74 -0.63 0.11 3.32 1.04 -0.67 -5.00 113.70 109.13 3hae s SER 159 Ca 0.34 0.61 0.09 0.00 0.48 0.00 0.00 55.95 57.47 3hae s SER 159 Cb -0.12 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3hae s SER 159 CO 0.27 -0.64 -0.20 0.26 0.98 0.00 0.00 173.24 173.92 3hae s TRP 160 N -1.50 2.49 -1.04 5.02 0.52 -1.26 -0.18 118.94 122.98 3hae s TRP 160 Ca -0.09 -0.29 -0.19 0.00 0.02 0.00 0.00 56.10 55.55 3hae s TRP 160 Cb -0.00 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 31.00 3hae s TRP 160 CO 0.07 0.35 0.66 0.09 0.02 0.00 0.00 176.95 178.14 3hae n ASN 161 N 0.97 -4.62 0.00 2.95 3.02 -0.27 -3.11 115.26 114.20 3hae n ASN 161 Ca -0.16 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 3hae n ASN 161 Cb 0.53 -1.90 0.00 0.00 -0.61 0.00 0.00 39.78 37.80 3hae n ASN 161 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hae n SER 162 N -2.37 0.00 0.00 6.41 7.64 -1.26 -1.43 113.62 122.61 3hae n SER 162 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 3hae n SER 162 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 3hae n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hae n GLY 163 N 0.00 -1.45 0.18 0.23 0.00 -1.18 -4.83 105.19 98.14 3hae n GLY 163 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.06 -2.53 4.61 0.00 -1.29 -3.42 119.26 115.57 3hae h ALA 164 Ca 0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 3hae h ALA 164 Cb 0.84 0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.83 3hae h ALA 164 CO 0.00 -1.02 0.78 -1.17 0.00 0.00 0.00 179.25 177.83 3hae s LEU 165 N -6.13 4.36 0.00 0.00 0.20 -1.24 -4.76 118.68 111.11 3hae s LEU 165 Ca -0.07 2.35 0.00 0.00 0.69 0.00 0.00 54.13 57.10 3hae s LEU 165 Cb 0.01 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 3hae s LEU 165 CO 0.20 -0.70 0.00 1.07 -0.29 0.00 0.00 176.35 176.63 3hae n THR 166 N 4.08 0.00 -1.67 3.68 5.66 -1.26 -4.19 114.28 120.58 3hae n THR 166 Ca 0.12 0.00 -0.48 0.00 -3.05 0.00 0.00 64.05 60.64 3hae n THR 166 Cb 0.42 -0.05 -0.05 0.00 -1.55 0.00 0.00 70.33 69.10 3hae n THR 166 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3hae n SER 167 N -1.70 3.16 0.00 1.09 2.88 -1.26 -2.74 113.62 115.05 3hae n SER 167 Ca 0.00 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 3hae n SER 167 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 3hae n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hae n GLY 168 N 3.95 0.41 3.62 0.46 0.00 -1.26 -4.79 105.19 107.58 3hae n GLY 168 Ca 0.21 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 5.16 -0.40 1.61 1.01 -1.11 -0.82 120.40 123.85 3hae s VAL 169 Ca 0.00 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.66 3hae s VAL 169 Cb 0.00 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.77 3hae s VAL 169 CO 0.00 0.16 0.16 -2.28 0.00 0.00 0.00 175.10 173.14 3hae s HIS 170 N 1.99 2.60 -0.36 5.22 2.46 0.52 -4.99 115.29 122.73 3hae s HIS 170 Ca 0.17 -2.55 -0.21 0.00 0.47 0.00 0.00 55.06 52.93 3hae s HIS 170 Cb -0.16 -2.29 0.00 0.00 -0.13 0.00 0.00 32.58 30.01 3hae s HIS 170 CO 0.09 -0.84 0.67 0.99 -2.47 0.00 0.00 174.74 173.19 3hae s THR 171 N 0.67 4.85 0.48 0.89 2.01 -1.26 -2.31 115.64 120.97 3hae s THR 171 Ca 0.14 0.65 -0.20 0.00 0.31 0.00 0.00 61.69 62.58 3hae s THR 171 Cb -0.22 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.09 3hae s THR 171 CO -0.08 -0.35 1.03 -0.36 -0.69 0.00 0.00 174.62 174.17 3hae s PHE 172 N 2.81 3.02 0.24 4.92 0.40 -0.86 -4.99 117.98 123.52 3hae s PHE 172 Ca 0.26 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 57.87 3hae s PHE 172 Cb -0.14 -3.05 -0.09 0.00 0.51 0.00 0.00 43.02 40.24 3hae s PHE 172 CO 0.15 -0.79 1.31 -2.14 0.70 0.00 0.00 175.22 174.46 3hae s PRO 173 N -3.22 4.39 0.69 0.24 0.02 -1.26 -4.45 135.00 131.41 3hae s PRO 173 Ca 0.67 2.10 -0.13 0.00 0.02 0.00 0.00 61.00 63.66 3hae s PRO 173 Cb -0.16 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.22 3hae s PRO 173 CO 0.19 -0.22 1.10 0.00 -0.33 0.00 0.00 177.00 177.74 3hae s ALA 174 N -0.29 2.44 -0.19 -1.55 0.00 -1.26 -4.86 121.76 116.04 3hae s ALA 174 Ca 0.54 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 3hae s ALA 174 Cb -0.38 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3hae s ALA 174 CO 0.42 -1.39 0.08 0.54 0.00 0.00 0.00 175.76 175.41 3hae s VAL 175 N -2.59 4.88 -0.55 0.00 0.11 -0.58 -4.90 120.40 116.78 3hae s VAL 175 Ca 0.64 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.42 3hae s VAL 175 Cb -0.18 -3.21 0.03 0.00 -1.53 0.00 0.00 36.38 31.49 3hae s VAL 175 CO 0.47 0.45 1.11 -0.22 -3.33 0.00 0.00 175.10 173.58 3hae s LEU 176 N 0.44 3.65 0.34 2.54 2.96 -1.26 -2.20 118.68 125.15 3hae s LEU 176 Ca 0.04 0.09 -0.26 0.00 -0.22 0.00 0.00 54.13 53.78 3hae s LEU 176 Cb -0.12 -3.18 -0.09 0.00 0.50 0.00 0.00 46.19 43.29 3hae s LEU 176 CO 0.00 -1.36 1.04 -1.10 -1.32 0.00 0.00 176.35 173.61 3hae s GLN 177 N 4.58 4.42 0.00 1.98 -0.21 0.48 -4.92 119.66 125.98 3hae s GLN 177 Ca 0.41 1.56 0.00 0.00 0.02 0.00 0.00 55.36 57.35 3hae s GLN 177 Cb -0.08 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.11 3hae s GLN 177 CO 0.26 0.07 0.17 -1.13 -2.12 0.00 0.00 175.29 172.54 3hae n SER 178 N 0.49 0.09 -0.00 5.90 3.41 -1.26 0.44 113.62 122.70 3hae n SER 178 Ca 0.02 -0.44 0.08 0.00 -0.26 0.00 0.00 58.87 58.28 3hae n SER 178 Cb 0.48 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.12 0.83 0.00 4.04 3.41 -1.26 -5.00 113.62 115.52 3hae n SER 179 Ca 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3hae n SER 179 Cb 0.02 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 1.42 0.46 3.82 5.00 0.00 0.17 -5.09 105.19 110.97 3hae n GLY 180 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 3.82 0.28 0.99 1.43 -1.23 -4.84 118.68 119.13 3hae s LEU 181 Ca 0.00 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 3hae s LEU 181 Cb 0.00 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3hae s LEU 181 CO 0.00 0.01 0.15 -0.31 0.23 0.00 0.00 176.35 176.43 3hae s TYR 182 N -1.95 2.92 -0.30 0.29 2.02 0.91 -0.39 117.35 120.86 3hae s TYR 182 Ca 0.32 -0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.77 3hae s TYR 182 Cb -0.09 -1.43 0.19 0.00 -0.40 0.00 0.00 41.96 40.23 3hae s TYR 182 CO 0.24 0.48 0.78 -1.12 -1.57 0.00 0.00 175.55 174.36 3hae s SER 183 N -3.82 -1.05 0.47 2.29 0.01 -0.94 -2.08 113.70 108.59 3hae s SER 183 Ca 0.34 0.53 0.08 0.00 1.31 0.00 0.00 55.95 58.21 3hae s SER 183 Cb -0.07 1.83 0.01 0.00 0.21 0.00 0.00 66.02 68.01 3hae s SER 183 CO 0.24 -0.19 0.48 -1.48 0.41 0.00 0.00 173.24 172.69 3hae s LEU 184 N 2.89 3.24 -0.02 2.44 0.05 -1.11 -1.52 118.68 124.64 3hae s LEU 184 Ca 0.13 -0.82 0.01 0.00 0.05 0.00 0.00 54.13 53.50 3hae s LEU 184 Cb -0.12 -1.89 0.02 0.00 -2.05 0.00 0.00 46.19 42.15 3hae s LEU 184 CO -0.19 -0.88 -0.01 -0.44 -0.55 0.00 0.00 176.35 174.28 3hae s SER 185 N -4.29 0.46 -0.16 1.48 0.01 -1.26 -2.40 113.70 107.53 3hae s SER 185 Ca 0.49 -0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.63 3hae s SER 185 Cb -0.04 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 3hae s SER 185 CO 0.29 -0.06 0.06 -0.55 0.41 0.00 0.00 173.24 173.40 3hae s SER 186 N 0.70 5.68 -0.01 2.44 0.15 -0.29 -2.02 113.70 120.36 3hae s SER 186 Ca -0.07 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.71 3hae s SER 186 Cb -0.10 -1.92 0.01 0.00 -1.71 0.00 0.00 66.02 62.29 3hae s SER 186 CO -0.01 0.22 0.00 0.54 1.20 0.00 0.00 173.24 175.20 3hae s VAL 187 N 0.07 0.02 -0.14 4.45 0.11 -0.98 -0.59 120.40 123.35 3hae s VAL 187 Ca 0.06 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 3hae s VAL 187 Cb -0.12 -0.06 -0.00 0.00 -1.53 0.00 0.00 36.38 34.67 3hae s VAL 187 CO 0.01 0.03 -0.17 0.54 -3.33 0.00 0.00 175.10 172.18 3hae s VAL 188 N 0.27 2.58 -0.22 2.04 0.11 0.85 -0.35 120.40 125.68 3hae s VAL 188 Ca -0.02 -0.81 -0.12 0.00 -2.93 0.00 0.00 61.98 58.10 3hae s VAL 188 Cb -0.04 -2.07 -0.05 0.00 -1.53 0.00 0.00 36.38 32.70 3hae s VAL 188 CO -0.01 0.53 0.22 0.42 -3.33 0.00 0.00 175.10 172.93 3hae s THR 189 N 0.64 5.32 0.08 5.04 -4.23 -0.00 -2.16 115.64 120.32 3hae s THR 189 Ca -0.09 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 60.79 3hae s THR 189 Cb -0.16 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 3hae s THR 189 CO 0.03 0.33 -0.14 0.68 -0.54 0.00 0.00 174.62 174.98 3hae s VAL 190 N 1.04 1.12 0.54 2.29 -7.23 -0.10 -4.68 120.40 113.39 3hae s VAL 190 Ca 0.11 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.71 3hae s VAL 190 Cb -0.14 -1.12 -0.06 0.00 0.56 0.00 0.00 36.38 35.63 3hae s VAL 190 CO 0.05 -0.26 1.17 -0.81 -0.31 0.00 0.00 175.10 174.94 3hae n PRO 191 N 1.19 1.36 0.00 4.82 -0.04 -1.26 -1.88 135.00 139.19 3hae n PRO 191 Ca -0.21 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3hae n PRO 191 Cb 0.54 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3hae n PRO 191 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hae n SER 192 N -0.67 0.00 -3.65 3.54 2.88 -1.18 -2.75 113.62 111.79 3hae n SER 192 Ca 0.11 0.09 -0.41 0.00 -1.33 0.00 0.00 58.87 57.33 3hae n SER 192 Cb 0.45 -0.01 0.02 0.00 -0.75 0.00 0.00 64.21 63.91 3hae n SER 192 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3hae n SER 193 N -0.86 7.35 -0.00 -3.46 7.64 -1.26 -4.26 113.62 118.76 3hae n SER 193 Ca 0.00 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.27 3hae n SER 193 Cb 0.00 -1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 62.00 3hae n SER 193 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hae n SER 194 N 0.24 3.96 -0.30 6.43 3.41 -1.11 -4.68 113.62 121.57 3hae n SER 194 Ca 0.47 -0.10 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 3hae n SER 194 Cb 0.26 1.02 0.25 0.00 -0.26 0.00 0.00 64.21 65.48 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 0.00 0.53 -0.07 1.04 -0.00 -1.81 0.21 115.31 115.22 3hae h LEU 195 Ca 0.00 0.10 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 3hae h LEU 195 Cb 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 3hae h LEU 195 CO 0.00 0.20 -0.12 1.23 -0.00 0.00 0.00 178.44 179.75 3hae h GLY 196 N 0.61 -1.66 0.22 0.83 0.00 -1.92 -3.39 103.07 97.76 3hae h GLY 196 Ca 0.49 0.77 -0.34 0.00 0.00 0.00 0.00 47.33 48.25 3hae h GLY 196 CO -0.39 -0.58 -1.92 -1.30 0.00 0.00 0.00 176.54 172.35 3hae n THR 197 N -3.26 1.62 -2.95 4.70 -2.24 -0.93 -4.96 114.28 106.26 3hae n THR 197 Ca -0.01 -0.39 -0.40 0.00 -2.27 0.00 0.00 64.05 60.97 3hae n THR 197 Cb 0.08 -1.81 -0.04 0.00 -2.10 0.00 0.00 70.33 66.45 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 -2.48 4.46 0.31 -0.78 2.00 0.02 -5.06 119.66 118.13 3hae s GLN 198 Ca -0.29 1.03 -0.17 0.00 -2.00 0.00 0.00 55.36 53.92 3hae s GLN 198 Cb 0.08 -3.45 -0.09 0.00 0.80 0.00 0.00 33.01 30.35 3hae s GLN 198 CO 0.64 0.02 0.76 0.99 -0.50 0.00 0.00 175.29 177.20 3hae s THR 199 N 0.90 4.61 -0.08 -0.34 2.01 -1.26 -4.66 115.64 116.82 3hae s THR 199 Ca 0.41 1.11 0.01 0.00 0.31 0.00 0.00 61.69 63.53 3hae s THR 199 Cb -0.19 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.66 3hae s THR 199 CO 0.20 -0.09 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.65 3hae s TYR 200 N -1.88 1.30 -0.03 4.92 2.02 -1.26 -5.00 117.35 117.43 3hae s TYR 200 Ca 0.52 -0.53 0.07 0.00 -0.37 0.00 0.00 57.07 56.76 3hae s TYR 200 Cb -0.12 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3hae s TYR 200 CO 0.18 -0.35 -0.24 0.96 -1.57 0.00 0.00 175.55 174.53 3hae s ILE 201 N 1.14 1.93 -0.19 2.71 -4.36 -1.26 -2.32 121.20 118.85 3hae s ILE 201 Ca -0.06 -1.03 -0.04 0.00 -0.26 0.00 0.00 60.65 59.25 3hae s ILE 201 Cb -0.14 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 3hae s ILE 201 CO -0.02 0.54 -0.02 0.00 0.24 0.00 0.00 174.94 175.69 3hae s ASN 203 N 0.91 6.06 0.23 0.00 -0.87 0.74 -0.37 114.94 121.64 3hae s ASN 203 Ca 0.00 -1.25 -0.01 0.00 -1.57 0.00 0.00 52.86 50.03 3hae s ASN 203 Cb -0.14 -2.15 -0.04 0.00 -0.02 0.00 0.00 41.25 38.90 3hae s ASN 203 CO 0.02 -0.58 0.42 -0.69 -2.57 0.00 0.00 177.10 173.69 3hae s VAL 204 N 1.62 5.18 -0.25 1.60 1.01 0.47 -1.67 120.40 128.35 3hae s VAL 204 Ca 0.04 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 3hae s VAL 204 Cb -0.23 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.53 3hae s VAL 204 CO 0.07 -0.23 0.52 0.21 0.00 0.00 0.00 175.10 175.66 3hae s ASN 205 N -3.29 -0.67 -0.51 3.32 2.47 -0.27 -0.99 114.94 115.01 3hae s ASN 205 Ca 0.39 1.07 0.03 0.00 0.42 0.00 0.00 52.86 54.78 3hae s ASN 205 Cb -0.11 1.77 0.14 0.00 -1.45 0.00 0.00 41.25 41.60 3hae s ASN 205 CO 0.30 -0.24 0.29 -2.28 -3.72 0.00 0.00 177.10 171.45 3hae s HIS 206 N 2.74 2.73 0.41 0.43 5.65 0.19 -0.37 115.29 127.08 3hae s HIS 206 Ca 0.02 -2.90 0.16 0.00 0.25 0.00 0.00 55.06 52.59 3hae s HIS 206 Cb -0.13 -2.40 1.04 0.00 -1.18 0.00 0.00 32.58 29.91 3hae s HIS 206 CO -0.17 -0.73 1.87 0.87 -0.65 0.00 0.00 174.74 175.94 3hae h LYS 207 N 6.38 0.43 -0.95 2.88 1.57 -1.81 -1.87 116.57 123.21 3hae h LYS 207 Ca -0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3hae h LYS 207 Cb 0.88 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 3hae h LYS 207 CO 0.61 0.29 0.62 -1.35 -0.57 0.00 0.00 179.45 179.05 3hae h PRO 208 N 0.45 1.21 -0.69 3.15 0.11 -1.91 -2.58 132.00 131.73 3hae h PRO 208 Ca 0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3hae h PRO 208 Cb 1.04 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3hae h PRO 208 CO -0.17 0.80 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 3hae n SER 209 N -4.45 3.96 -2.38 -2.05 3.41 -0.77 -4.95 113.62 106.40 3hae n SER 209 Ca 0.11 -2.11 -0.02 0.00 -0.26 0.00 0.00 58.87 56.59 3hae n SER 209 Cb 0.04 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.50 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 1.43 -1.39 -4.59 4.04 5.03 -0.83 -4.86 115.26 114.09 3hae n ASN 210 Ca 0.24 0.42 -0.41 0.00 0.87 0.00 0.00 54.58 55.70 3hae n ASN 210 Cb 0.66 -1.33 -0.07 0.00 -1.02 0.00 0.00 39.78 38.02 3hae n ASN 210 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hae s THR 211 N -2.02 4.95 -0.30 3.41 2.01 -1.08 -4.97 115.64 117.63 3hae s THR 211 Ca 0.00 0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.75 3hae s THR 211 Cb 0.00 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.58 3hae s THR 211 CO 0.00 -0.17 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.00 3hae s LYS 212 N 2.58 2.11 -0.07 4.92 2.20 -1.26 0.56 119.74 130.78 3hae s LYS 212 Ca 0.24 -1.48 0.04 0.00 -0.36 0.00 0.00 55.97 54.41 3hae s LYS 212 Cb -0.15 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 3hae s LYS 212 CO 0.12 -0.71 -0.20 0.08 -0.36 0.00 0.00 175.35 174.29 3hae s VAL 213 N 1.11 2.52 -0.10 4.02 1.01 -0.16 -4.95 120.40 123.85 3hae s VAL 213 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3hae s VAL 213 Cb -0.20 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3hae s VAL 213 CO -0.04 0.56 -0.16 -1.81 0.00 0.00 0.00 175.10 173.65 3hae s ASP 214 N -0.17 3.76 -0.04 3.32 1.01 -1.26 0.18 116.67 123.47 3hae s ASP 214 Ca -0.02 -0.36 0.01 0.00 0.71 0.00 0.00 52.55 52.89 3hae s ASP 214 Cb -0.14 -1.37 0.02 0.00 1.01 0.00 0.00 42.92 42.44 3hae s ASP 214 CO 0.04 0.20 -0.06 -0.75 0.21 0.00 0.00 175.17 174.81 3hae s LYS 215 N 0.11 0.92 -0.03 8.23 2.47 0.50 -4.89 119.74 127.06 3hae s LYS 215 Ca -0.08 -0.18 -0.30 0.00 -1.56 0.00 0.00 55.97 53.86 3hae s LYS 215 Cb -0.15 -0.88 -0.03 0.00 -1.46 0.00 0.00 37.83 35.30 3hae s LYS 215 CO 0.05 -0.02 1.11 0.15 0.16 0.00 0.00 175.35 176.80 3hae s LYS 216 N 0.70 4.43 -0.47 4.03 -0.14 -1.26 0.76 119.74 127.78 3hae s LYS 216 Ca -0.10 1.58 0.03 0.00 -1.36 0.00 0.00 55.97 56.12 3hae s LYS 216 Cb -0.13 -3.49 0.12 0.00 -1.68 0.00 0.00 37.83 32.65 3hae s LYS 216 CO 0.01 -0.30 0.21 0.08 -0.76 0.00 0.00 175.35 174.60 3hae s VAL 217 N 1.67 2.62 0.05 3.17 1.01 -0.98 -4.76 120.40 123.19 3hae s VAL 217 Ca 0.54 -2.98 0.04 0.00 0.00 0.00 0.00 61.98 59.58 3hae s VAL 217 Cb -0.24 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3hae s VAL 217 CO 0.24 -0.75 -0.04 -1.61 0.00 0.00 0.00 175.10 172.95 3hae s GLU 218 N 0.11 2.52 0.10 2.72 8.01 -1.26 -4.59 118.70 126.30 3hae s GLU 218 Ca 0.15 -0.79 -0.36 0.00 0.01 0.00 0.00 54.97 53.98 3hae s GLU 218 Cb -0.23 -2.51 -0.18 0.00 -4.31 0.00 0.00 34.13 26.89 3hae s GLU 218 CO -0.03 0.57 1.06 -0.35 0.01 0.00 0.00 175.26 176.53 3hae n PRO 219 N 1.05 0.54 0.00 0.39 -0.04 -1.26 -4.75 135.00 130.93 3hae n PRO 219 Ca -0.13 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3hae n PRO 219 Cb 0.52 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3hae n PRO 219 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63