#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl3 s MET 1 N 0.00 2.88 0.12 0.00 1.75 -1.26 -3.26 119.30 119.52 3hl3 s MET 1 Ca 0.00 -0.80 0.00 0.00 -1.25 0.00 0.00 55.69 53.64 3hl3 s MET 1 Cb 0.00 -2.35 -0.04 0.00 2.84 0.00 0.00 34.83 35.28 3hl3 s MET 1 CO 0.00 -0.04 0.28 0.15 -0.65 0.00 0.00 175.02 174.76 3hl3 s LYS 2 N 0.88 3.47 -0.07 4.11 -0.14 0.67 -4.72 119.74 123.94 3hl3 s LYS 2 Ca -0.06 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.12 3hl3 s LYS 2 Cb -0.15 -2.96 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 3hl3 s LYS 2 CO -0.03 0.53 -0.08 0.20 -0.76 0.00 0.00 175.35 175.22 3hl3 s GLY 3 N -2.84 1.67 -0.06 -3.33 0.00 -0.50 -1.57 107.32 100.70 3hl3 s GLY 3 Ca 0.36 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.18 3hl3 s GLY 3 CO 0.28 -0.64 -0.02 -0.42 0.00 0.00 0.00 173.10 172.30 3hl3 s ILE 4 N -0.71 0.45 -0.22 0.90 1.01 -0.41 -0.67 121.20 121.55 3hl3 s ILE 4 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 3hl3 s ILE 4 Cb -0.11 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.83 3hl3 s ILE 4 CO 0.01 0.24 -0.09 -0.63 0.00 0.00 0.00 174.94 174.47 3hl3 s ILE 5 N 1.39 2.92 -0.52 2.92 1.01 -0.25 -0.80 121.20 127.87 3hl3 s ILE 5 Ca -0.04 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 3hl3 s ILE 5 Cb -0.13 -2.34 0.05 0.00 0.01 0.00 0.00 42.46 40.04 3hl3 s ILE 5 CO -0.03 0.40 0.76 -0.76 0.00 0.00 0.00 174.94 175.32 3hl3 s LEU 6 N 1.40 4.59 -0.26 2.97 1.43 -0.87 -1.94 118.68 126.00 3hl3 s LEU 6 Ca 0.04 -0.66 0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3hl3 s LEU 6 Cb -0.14 -2.61 0.46 0.00 0.03 0.00 0.00 46.19 43.92 3hl3 s LEU 6 CO -0.06 -1.03 1.33 0.00 0.23 0.00 0.00 176.35 176.82 3hl3 n ALA 7 N 6.73 4.15 -1.34 4.21 0.00 0.89 -1.16 120.51 133.98 3hl3 n ALA 7 Ca -0.03 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.10 3hl3 n ALA 7 Cb 0.46 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3hl3 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl3 n GLY 8 N -1.07 0.39 0.00 0.00 0.00 -1.16 -4.44 105.19 98.91 3hl3 n GLY 8 Ca 0.28 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3hl3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hl3 n GLY 9 N 5.00 2.34 0.10 -0.02 0.00 -1.26 -4.87 105.19 106.48 3hl3 n GLY 9 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 3hl3 n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hl3 h THR 10 N 0.00 1.50 -0.21 2.61 1.35 -1.99 -3.47 112.91 112.69 3hl3 h THR 10 Ca 0.00 -3.09 -0.09 0.00 -0.55 0.00 0.00 66.41 62.68 3hl3 h THR 10 Cb 0.00 2.92 -0.04 0.00 -1.73 0.00 0.00 68.15 69.30 3hl3 h THR 10 CO 0.00 0.90 -0.08 0.61 -0.25 0.00 0.00 175.52 176.69 3hl3 n GLY 11 N 1.52 0.66 0.37 5.82 0.00 -1.26 -4.91 105.19 107.39 3hl3 n GLY 11 Ca -0.08 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.76 3hl3 n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hl3 h SER 12 N 0.00 0.69 -1.17 1.61 4.64 -1.92 0.40 113.55 117.79 3hl3 h SER 12 Ca -0.09 0.03 0.33 0.00 -0.47 0.00 0.00 61.79 61.59 3hl3 h SER 12 Cb 0.53 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 3hl3 h SER 12 CO 0.13 0.38 0.82 0.03 -0.87 0.00 0.00 176.83 177.33 3hl3 h ARG 13 N 0.75 0.08 -0.33 4.77 2.47 -1.91 -0.89 114.38 119.31 3hl3 h ARG 13 Ca 0.41 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 3hl3 h ARG 13 Cb 0.56 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3hl3 h ARG 13 CO -0.18 0.05 0.00 1.28 0.56 0.00 0.00 179.97 181.68 3hl3 n LEU 14 N -4.28 3.27 -4.63 3.04 4.77 0.13 -4.61 117.00 114.69 3hl3 n LEU 14 Ca 0.26 -1.37 -0.39 0.00 -0.03 0.00 0.00 56.01 54.48 3hl3 n LEU 14 Cb 1.19 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 42.11 3hl3 n LEU 14 CO 0.37 0.69 0.61 -1.22 -1.33 0.00 0.00 177.39 176.50 3hl3 n TYR 15 N 1.39 1.07 1.58 -1.77 4.01 -0.34 -2.06 117.16 121.04 3hl3 n TYR 15 Ca 0.19 0.46 0.14 0.00 -0.16 0.00 0.00 57.90 58.53 3hl3 n TYR 15 Cb 0.59 -2.18 0.62 0.00 -0.31 0.00 0.00 39.34 38.06 3hl3 n TYR 15 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hl3 n PRO 16 N -0.77 1.30 0.04 -0.72 -0.04 -1.26 -4.86 135.00 128.69 3hl3 n PRO 16 Ca 0.12 -0.59 0.15 0.00 -0.04 0.00 0.00 63.50 63.14 3hl3 n PRO 16 Cb 0.45 -1.49 0.62 0.00 -0.04 0.00 0.00 33.50 33.05 3hl3 n PRO 16 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3hl3 h ILE 17 N 1.45 0.85 -0.67 0.52 2.04 -1.81 -0.39 117.51 119.49 3hl3 h ILE 17 Ca 0.00 -0.04 -0.21 0.00 1.00 0.00 0.00 64.86 65.61 3hl3 h ILE 17 Cb 0.36 0.71 -0.13 0.00 -0.74 0.00 0.00 36.82 37.03 3hl3 h ILE 17 CO 0.00 0.02 0.24 0.35 0.00 0.00 0.00 178.15 178.76 3hl3 n THR 18 N -4.44 2.86 -0.23 -0.27 -2.24 -1.23 -4.17 114.28 104.56 3hl3 n THR 18 Ca 0.07 -1.80 -0.08 0.00 -2.27 0.00 0.00 64.05 59.96 3hl3 n THR 18 Cb 0.42 -0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.33 3hl3 n THR 18 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3hl3 h LYS 19 N 2.30 1.08 0.00 -0.78 3.64 -1.39 -3.38 116.57 118.04 3hl3 h LYS 19 Ca 0.26 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3hl3 h LYS 19 Cb 2.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.91 3hl3 h LYS 19 CO 0.68 1.01 -1.21 0.28 -2.27 0.00 0.00 179.45 177.94 3hl3 n VAL 20 N -4.23 0.21 -2.84 2.00 0.31 -1.26 -5.05 118.33 107.47 3hl3 n VAL 20 Ca 0.04 -0.07 -0.38 0.00 -0.01 0.00 0.00 64.34 63.92 3hl3 n VAL 20 Cb 0.30 -1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 3hl3 n VAL 20 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hl3 s THR 21 N -2.07 4.23 0.22 2.52 2.01 -1.26 -5.01 115.64 116.28 3hl3 s THR 21 Ca -0.05 1.83 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 3hl3 s THR 21 Cb 0.02 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.32 3hl3 s THR 21 CO 0.08 0.34 1.09 0.21 -0.69 0.00 0.00 174.62 175.65 3hl3 s ASN 22 N -1.38 7.28 0.30 3.53 3.84 -1.26 -4.38 114.94 122.87 3hl3 s ASN 22 Ca 0.43 2.16 0.05 0.00 0.21 0.00 0.00 52.86 55.71 3hl3 s ASN 22 Cb -0.22 -2.61 0.79 0.00 -0.55 0.00 0.00 41.25 38.66 3hl3 s ASN 22 CO 0.27 -0.17 1.65 0.50 -2.79 0.00 0.00 177.10 176.56 3hl3 h LYS 23 N 4.57 0.25 0.00 0.43 3.64 -1.92 -0.84 116.57 122.70 3hl3 h LYS 23 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3hl3 h LYS 23 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3hl3 h LYS 23 CO 0.70 0.16 0.00 0.72 -2.27 0.00 0.00 179.45 178.76 3hl3 n HIS 24 N -5.17 0.00 0.53 1.91 8.25 -1.26 -1.73 115.22 117.75 3hl3 n HIS 24 Ca 0.24 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.76 3hl3 n HIS 24 Cb 0.75 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.92 3hl3 n HIS 24 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hl3 n LEU 25 N -0.94 2.17 -4.79 2.41 4.77 -0.32 -0.82 117.00 119.48 3hl3 n LEU 25 Ca 0.15 -1.04 -0.35 0.00 -0.03 0.00 0.00 56.01 54.75 3hl3 n LEU 25 Cb 0.07 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3hl3 n LEU 25 CO 0.11 0.41 0.75 -0.76 -1.33 0.00 0.00 177.39 176.57 3hl3 s LEU 26 N -1.13 3.83 0.38 2.23 1.43 -0.71 -4.49 118.68 120.21 3hl3 s LEU 26 Ca 0.16 2.04 -0.27 0.00 -1.03 0.00 0.00 54.13 55.03 3hl3 s LEU 26 Cb 0.11 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 3hl3 s LEU 26 CO 0.17 -0.94 1.34 -2.84 0.23 0.00 0.00 176.35 174.31 3hl3 s PRO 27 N -3.21 4.11 -0.34 1.29 0.02 -1.26 -0.07 135.00 135.55 3hl3 s PRO 27 Ca 0.69 2.26 -0.00 0.00 0.02 0.00 0.00 61.00 63.96 3hl3 s PRO 27 Cb -0.20 -2.90 0.13 0.00 0.02 0.00 0.00 34.50 31.56 3hl3 s PRO 27 CO 0.23 -0.41 0.23 0.08 -0.33 0.00 0.00 177.00 176.80 3hl3 s VAL 28 N -1.19 -0.03 0.00 3.83 1.01 0.02 -4.75 120.40 119.29 3hl3 s VAL 28 Ca 0.54 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3hl3 s VAL 28 Cb -0.40 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3hl3 s VAL 28 CO 0.53 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.41 3hl3 n GLY 29 N 4.44 -0.20 0.62 4.51 0.00 -1.26 -3.45 105.19 109.85 3hl3 n GLY 29 Ca 0.07 -1.11 0.03 0.00 0.00 0.00 0.00 46.02 45.01 3hl3 n GLY 29 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hl3 n ARG 30 N 2.86 1.81 -4.15 1.61 1.85 -1.26 -4.89 116.66 114.49 3hl3 n ARG 30 Ca 0.00 -0.92 -0.13 0.00 -1.00 0.00 0.00 57.85 55.80 3hl3 n ARG 30 Cb 0.00 -1.39 -0.11 0.00 -1.05 0.00 0.00 32.46 29.92 3hl3 n ARG 30 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3hl3 s TYR 31 N -1.64 0.95 0.46 2.89 2.02 -1.22 -5.08 117.35 115.73 3hl3 s TYR 31 Ca 0.17 -0.68 -0.24 0.00 -0.37 0.00 0.00 57.07 55.95 3hl3 s TYR 31 Cb 0.10 -0.53 -0.07 0.00 -0.40 0.00 0.00 41.96 41.05 3hl3 s TYR 31 CO 0.09 -0.05 1.33 -2.14 -1.57 0.00 0.00 175.55 173.21 3hl3 s PRO 32 N -2.76 3.66 0.24 -1.71 0.02 -1.26 -0.80 135.00 132.38 3hl3 s PRO 32 Ca 0.04 2.19 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 3hl3 s PRO 32 Cb -0.03 -2.55 0.28 0.00 0.02 0.00 0.00 34.50 32.22 3hl3 s PRO 32 CO -0.01 -0.76 1.56 1.98 -0.33 0.00 0.00 177.00 179.44 3hl3 h MET 33 N 2.19 -0.02 -0.33 5.54 1.85 -0.46 -0.25 114.93 123.44 3hl3 h MET 33 Ca -0.50 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 58.68 3hl3 h MET 33 Cb 1.26 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.29 3hl3 h MET 33 CO 0.60 -0.01 0.24 0.97 -0.40 0.00 0.00 176.91 178.31 3hl3 h ILE 34 N -0.02 0.85 -0.92 1.77 2.10 -1.22 -2.24 117.51 117.82 3hl3 h ILE 34 Ca 0.36 -0.01 0.15 0.00 1.08 0.00 0.00 64.86 66.44 3hl3 h ILE 34 Cb 0.62 0.82 -0.09 0.00 -1.09 0.00 0.00 36.82 37.07 3hl3 h ILE 34 CO -0.95 0.01 0.53 1.88 -1.08 0.00 0.00 178.15 178.53 3hl3 h TYR 35 N 0.03 0.93 -0.51 2.19 -1.99 -1.32 -1.66 116.97 114.64 3hl3 h TYR 35 Ca 0.16 0.03 0.08 0.00 2.00 0.00 0.00 58.73 61.00 3hl3 h TYR 35 Cb 0.59 -0.28 -0.06 0.00 2.00 0.00 0.00 36.73 38.98 3hl3 h TYR 35 CO -0.00 0.26 0.17 0.45 -0.00 0.00 0.00 178.16 179.04 3hl3 h HIS 36 N 0.74 0.29 -0.79 4.88 3.86 -1.53 0.14 115.15 122.74 3hl3 h HIS 36 Ca 0.50 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.70 3hl3 h HIS 36 Cb 0.68 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 3hl3 h HIS 36 CO -0.05 0.08 0.35 0.00 0.86 0.00 0.00 177.93 179.17 3hl3 h ALA 37 N 1.36 1.03 -0.46 2.45 0.00 -1.47 -1.77 119.26 120.40 3hl3 h ALA 37 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hl3 h ALA 37 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hl3 h ALA 37 CO -0.27 0.62 -0.04 0.28 0.00 0.00 0.00 179.25 179.84 3hl3 h VAL 38 N 1.13 1.25 -0.43 0.00 2.07 -0.80 -2.82 116.25 116.66 3hl3 h VAL 38 Ca 0.27 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 3hl3 h VAL 38 Cb 0.16 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3hl3 h VAL 38 CO -0.03 0.37 -0.17 0.22 0.02 0.00 0.00 177.57 177.98 3hl3 h TYR 39 N 0.72 0.99 -0.96 1.57 3.20 -0.31 -1.52 116.97 120.66 3hl3 h TYR 39 Ca 0.13 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 61.78 3hl3 h TYR 39 Cb 0.49 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 3hl3 h TYR 39 CO 0.03 1.01 0.64 0.87 -1.64 0.00 0.00 178.16 179.06 3hl3 h LYS 40 N 0.69 1.25 -0.14 1.82 1.79 -1.14 -0.62 116.57 120.23 3hl3 h LYS 40 Ca 0.10 -0.08 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 3hl3 h LYS 40 Cb 0.72 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3hl3 h LYS 40 CO 0.06 0.83 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.98 3hl3 h LEU 41 N 1.29 0.42 0.02 2.94 3.38 -1.44 -3.23 115.31 118.68 3hl3 h LEU 41 Ca 0.36 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3hl3 h LEU 41 Cb -0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3hl3 h LEU 41 CO -0.08 0.86 -0.18 0.50 0.09 0.00 0.00 178.44 179.63 3hl3 h LYS 42 N -0.02 -0.29 -1.13 1.13 3.64 -0.91 -1.91 116.57 117.08 3hl3 h LYS 42 Ca 0.01 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 59.74 3hl3 h LYS 42 Cb 0.77 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 3hl3 h LYS 42 CO 0.05 -0.19 0.85 1.96 -2.27 0.00 0.00 179.45 179.84 3hl3 h GLN 43 N -0.30 0.00 -0.64 1.90 4.20 -1.17 0.18 115.11 119.28 3hl3 h GLN 43 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3hl3 h GLN 43 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3hl3 h GLN 43 CO -0.16 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.00 3hl3 n ASP 45 N 1.12 -4.36 -4.27 0.00 10.43 0.62 -4.96 116.55 115.13 3hl3 n ASP 45 Ca 0.22 -0.01 -0.44 0.00 2.57 0.00 0.00 54.79 57.13 3hl3 n ASP 45 Cb 0.68 -3.52 -0.06 0.00 1.84 0.00 0.00 41.12 40.06 3hl3 n ASP 45 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hl3 s ILE 46 N -2.71 4.90 -0.68 0.53 1.01 -0.86 -4.90 121.20 118.49 3hl3 s ILE 46 Ca 0.00 -1.92 0.19 0.00 0.00 0.00 0.00 60.65 58.93 3hl3 s ILE 46 Cb 0.00 -4.14 -0.23 0.00 0.01 0.00 0.00 42.46 38.10 3hl3 s ILE 46 CO 0.00 -0.88 0.72 0.35 0.00 0.00 0.00 174.94 175.13 3hl3 n THR 47 N 4.72 0.00 -3.22 2.92 -2.24 -1.26 -3.84 114.28 111.37 3hl3 n THR 47 Ca -0.04 -0.15 -0.45 0.00 -2.27 0.00 0.00 64.05 61.14 3hl3 n THR 47 Cb 0.42 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 3hl3 n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hl3 s ASP 48 N -3.18 6.19 -0.03 3.42 1.01 -1.26 0.04 116.67 122.86 3hl3 s ASP 48 Ca 0.04 -1.49 0.07 0.00 0.71 0.00 0.00 52.55 51.87 3hl3 s ASP 48 Cb 0.14 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 3hl3 s ASP 48 CO 0.80 -0.95 -0.24 -0.63 0.21 0.00 0.00 175.17 174.36 3hl3 s ILE 49 N 2.18 1.88 -0.12 0.77 1.01 -0.13 -1.40 121.20 125.38 3hl3 s ILE 49 Ca 0.08 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3hl3 s ILE 49 Cb -0.26 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3hl3 s ILE 49 CO 0.06 0.53 -0.07 -0.32 0.00 0.00 0.00 174.94 175.14 3hl3 s MET 50 N -0.46 3.29 -0.17 2.79 -2.45 0.16 -1.46 119.30 121.01 3hl3 s MET 50 Ca 0.06 -0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 53.91 3hl3 s MET 50 Cb -0.10 -2.74 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 3hl3 s MET 50 CO -0.00 0.38 -0.06 0.42 1.05 0.00 0.00 175.02 176.80 3hl3 s ILE 51 N -0.04 3.52 -0.14 10.11 -1.09 0.09 -1.09 121.20 132.56 3hl3 s ILE 51 Ca -0.00 -0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 3hl3 s ILE 51 Cb -0.13 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3hl3 s ILE 51 CO 0.03 0.48 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.50 3hl3 s ILE 52 N 0.68 3.36 0.30 2.92 -1.09 -0.82 -2.36 121.20 124.20 3hl3 s ILE 52 Ca -0.03 -0.55 -0.15 0.00 -2.23 0.00 0.00 60.65 57.69 3hl3 s ILE 52 Cb -0.15 -2.44 0.02 0.00 -1.58 0.00 0.00 42.46 38.31 3hl3 s ILE 52 CO 0.02 0.51 0.63 0.28 -1.23 0.00 0.00 174.94 175.15 3hl3 s THR 53 N 0.43 0.00 0.78 2.92 -1.32 -1.16 -0.08 115.64 117.22 3hl3 s THR 53 Ca -0.07 -1.20 -0.11 0.00 -1.21 0.00 0.00 61.69 59.10 3hl3 s THR 53 Cb -0.15 -2.34 0.06 0.00 -1.51 0.00 0.00 72.50 68.56 3hl3 s THR 53 CO 0.04 0.00 1.09 -0.83 -2.21 0.00 0.00 174.62 172.71 3hl3 s GLY 54 N -3.02 1.67 0.15 6.08 0.00 -1.26 -1.64 107.32 109.31 3hl3 s GLY 54 Ca 0.18 0.27 -0.15 0.00 0.00 0.00 0.00 44.72 45.02 3hl3 s GLY 54 CO 0.10 0.62 1.75 1.70 0.00 0.00 0.00 173.10 177.28 3hl3 h LYS 55 N -1.18 0.68 0.00 2.90 3.64 -1.95 -2.60 116.57 118.05 3hl3 h LYS 55 Ca -0.44 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 58.78 3hl3 h LYS 55 Cb 1.23 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3hl3 h LYS 55 CO 0.51 0.55 -0.38 0.93 -2.27 0.00 0.00 179.45 178.79 3hl3 h GLU 56 N 0.63 0.00 -0.02 1.90 3.07 -1.95 -3.21 114.58 115.00 3hl3 h GLU 56 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3hl3 h GLU 56 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3hl3 h GLU 56 CO -0.02 0.38 -0.12 0.72 -1.40 0.00 0.00 179.01 178.56 3hl3 n HIS 57 N -4.08 0.00 -0.06 4.33 8.25 -1.16 -4.50 115.22 118.00 3hl3 n HIS 57 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.48 3hl3 n HIS 57 Cb 0.41 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.91 3hl3 n HIS 57 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 3hl3 h MET 58 N 3.76 0.64 -0.47 -0.41 -1.53 -1.47 -2.25 114.93 113.20 3hl3 h MET 58 Ca 0.00 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.21 3hl3 h MET 58 Cb 0.86 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.74 3hl3 h MET 58 CO 0.00 0.43 0.25 0.78 0.14 0.00 0.00 176.91 178.51 3hl3 h GLY 59 N 0.66 0.71 1.31 1.39 0.00 -1.82 0.33 103.07 105.66 3hl3 h GLY 59 Ca 0.19 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 3hl3 h GLY 59 CO -0.04 0.32 -0.61 -0.55 0.00 0.00 0.00 176.54 175.65 3hl3 h ASP 60 N 0.62 0.80 0.03 0.19 3.32 -1.80 -0.66 116.42 118.92 3hl3 h ASP 60 Ca 0.17 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 3hl3 h ASP 60 Cb 0.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3hl3 h ASP 60 CO -0.03 1.22 -0.02 0.58 -1.72 0.00 0.00 179.24 179.28 3hl3 h VAL 61 N 0.52 1.07 -0.62 -1.35 2.07 -1.20 -2.36 116.25 114.38 3hl3 h VAL 61 Ca -0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3hl3 h VAL 61 Cb 1.20 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3hl3 h VAL 61 CO 0.12 0.08 0.33 0.58 0.02 0.00 0.00 177.57 178.70 3hl3 h VAL 62 N -0.18 1.20 -0.92 2.57 2.07 -0.94 0.53 116.25 120.59 3hl3 h VAL 62 Ca -0.00 -0.53 0.17 0.00 0.82 0.00 0.00 66.70 67.16 3hl3 h VAL 62 Cb 0.16 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 3hl3 h VAL 62 CO 0.01 0.22 0.51 0.28 0.02 0.00 0.00 177.57 178.61 3hl3 h SER 63 N 0.85 0.62 0.09 0.57 0.02 -0.95 0.51 113.55 115.25 3hl3 h SER 63 Ca 0.22 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3hl3 h SER 63 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3hl3 h SER 63 CO -0.03 0.22 -0.04 -0.26 -1.14 0.00 0.00 176.83 175.57 3hl3 h PHE 64 N 0.66 -0.11 0.10 3.45 0.04 -0.81 -3.39 116.94 116.88 3hl3 h PHE 64 Ca 0.53 -0.00 -0.26 0.00 2.80 0.00 0.00 57.97 61.03 3hl3 h PHE 64 Cb 0.81 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 3hl3 h PHE 64 CO -0.06 0.42 -1.21 -0.07 -0.60 0.00 0.00 178.31 176.78 3hl3 h LEU 65 N -0.84 0.33 0.00 1.54 3.38 -0.62 -3.49 115.31 115.60 3hl3 h LEU 65 Ca -0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hl3 h LEU 65 Cb 0.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hl3 h LEU 65 CO 0.02 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.44 3hl3 n GLY 66 N 1.50 1.92 0.07 0.83 0.00 0.18 -2.75 105.19 106.95 3hl3 n GLY 66 Ca -0.07 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.59 3hl3 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hl3 n SER 67 N -1.21 0.69 0.00 1.61 3.41 -1.26 -4.76 113.62 112.10 3hl3 n SER 67 Ca 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3hl3 n SER 67 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3hl3 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hl3 n GLY 68 N 1.35 1.13 0.32 5.00 0.00 -1.11 -1.49 105.19 110.39 3hl3 n GLY 68 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3hl3 n GLY 68 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hl3 h GLN 69 N 3.32 -0.03 0.00 1.61 1.08 -1.85 0.12 115.11 119.36 3hl3 h GLN 69 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hl3 h GLN 69 Cb 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3hl3 h GLN 69 CO 0.00 -0.02 0.00 -0.85 -0.95 0.00 0.00 178.83 177.01 3hl3 n GLU 70 N -5.51 0.13 -0.07 1.46 0.28 -1.26 -2.16 120.64 113.51 3hl3 n GLU 70 Ca 0.10 0.51 0.04 0.00 -0.16 0.00 0.00 57.16 57.65 3hl3 n GLU 70 Cb 0.40 -1.83 0.08 0.00 1.43 0.00 0.00 31.44 31.52 3hl3 n GLU 70 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3hl3 n PHE 71 N -2.09 0.19 -1.95 -1.84 3.72 0.37 -4.72 117.46 111.14 3hl3 n PHE 71 Ca 0.00 -0.28 -0.09 0.00 -0.05 0.00 0.00 57.45 57.03 3hl3 n PHE 71 Cb 0.11 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 3hl3 n PHE 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hl3 n GLY 72 N 0.32 0.27 1.05 1.37 0.00 -0.86 -5.01 105.19 102.33 3hl3 n GLY 72 Ca 0.07 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 3hl3 n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hl3 n VAL 73 N -3.68 0.00 -3.64 1.61 0.24 -0.83 -4.90 118.33 107.13 3hl3 n VAL 73 Ca -0.11 -0.75 -0.16 0.00 -2.04 0.00 0.00 64.34 61.28 3hl3 n VAL 73 Cb 0.52 0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 33.03 3hl3 n VAL 73 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hl3 s SER 74 N -1.78 0.67 0.05 -1.34 0.15 0.11 -3.54 113.70 108.02 3hl3 s SER 74 Ca 0.08 0.37 0.02 0.00 0.70 0.00 0.00 55.95 57.11 3hl3 s SER 74 Cb 0.00 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 3hl3 s SER 74 CO 0.05 -0.25 0.06 -0.36 1.20 0.00 0.00 173.24 173.94 3hl3 s PHE 75 N 2.35 3.17 0.02 3.44 0.08 -0.56 -0.95 117.98 125.53 3hl3 s PHE 75 Ca 0.03 0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.21 3hl3 s PHE 75 Cb -0.12 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3hl3 s PHE 75 CO -0.08 0.51 -0.12 0.99 -0.10 0.00 0.00 175.22 176.43 3hl3 s THR 76 N -1.28 0.95 0.04 0.64 2.01 -0.53 -4.94 115.64 112.53 3hl3 s THR 76 Ca 0.26 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.58 3hl3 s THR 76 Cb -0.12 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3hl3 s THR 76 CO 0.18 0.09 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.66 3hl3 s TYR 77 N -0.61 1.91 0.06 4.92 2.02 -1.26 -0.73 117.35 123.66 3hl3 s TYR 77 Ca 0.02 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 3hl3 s TYR 77 Cb -0.06 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 3hl3 s TYR 77 CO 0.00 0.09 -0.10 1.03 -1.57 0.00 0.00 175.55 175.01 3hl3 s ARG 78 N -1.17 0.65 -0.10 -0.62 1.81 -0.99 -4.97 118.95 113.56 3hl3 s ARG 78 Ca 0.08 -0.88 -0.11 0.00 -1.72 0.00 0.00 55.73 53.10 3hl3 s ARG 78 Cb -0.09 -0.45 -0.05 0.00 -0.45 0.00 0.00 34.95 33.91 3hl3 s ARG 78 CO 0.02 0.08 0.26 0.08 -0.68 0.00 0.00 175.30 175.07 3hl3 s VAL 79 N -1.57 5.30 -0.13 3.52 1.01 -1.26 -2.98 120.40 124.29 3hl3 s VAL 79 Ca -0.05 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3hl3 s VAL 79 Cb -0.09 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3hl3 s VAL 79 CO 0.01 0.53 0.20 -1.58 0.00 0.00 0.00 175.10 174.26 3hl3 s GLN 80 N -0.54 3.85 0.82 2.72 0.74 -0.65 -4.94 119.66 121.67 3hl3 s GLN 80 Ca 0.18 -0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.47 3hl3 s GLN 80 Cb -0.14 -3.30 0.15 0.00 1.10 0.00 0.00 33.01 30.82 3hl3 s GLN 80 CO 0.06 0.54 1.13 0.16 -0.55 0.00 0.00 175.29 176.64 3hl3 s ASP 81 N -0.39 3.90 0.11 6.67 -4.77 -1.26 -4.13 116.67 116.81 3hl3 s ASP 81 Ca 0.15 0.03 -0.34 0.00 -3.30 0.00 0.00 52.55 49.08 3hl3 s ASP 81 Cb -0.13 -0.31 -0.13 0.00 -1.09 0.00 0.00 42.92 41.27 3hl3 s ASP 81 CO 0.04 -2.19 1.55 0.50 0.70 0.00 0.00 175.17 175.77 3hl3 h LYS 82 N -1.00 -0.60 -7.30 2.11 3.64 -2.02 -3.44 116.57 107.96 3hl3 h LYS 82 Ca -0.41 0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.50 3hl3 h LYS 82 Cb 1.26 0.14 0.12 0.00 -0.41 0.00 0.00 32.23 33.34 3hl3 h LYS 82 CO 0.42 -0.40 0.33 0.00 -2.27 0.00 0.00 179.45 177.53 3hl3 s ALA 83 N -5.72 2.32 0.23 5.00 0.00 -1.26 -4.90 121.76 117.43 3hl3 s ALA 83 Ca -0.16 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3hl3 s ALA 83 Cb 0.07 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3hl3 s ALA 83 CO 0.61 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 175.12 3hl3 n GLY 84 N -1.21 -2.34 0.00 0.00 0.00 -1.26 -5.01 105.19 95.38 3hl3 n GLY 84 Ca 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3hl3 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hl3 n GLY 85 N -3.30 5.39 0.41 -0.02 0.00 -1.26 -4.97 105.19 101.44 3hl3 n GLY 85 Ca -0.02 -1.28 0.37 0.00 0.00 0.00 0.00 46.02 45.09 3hl3 n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hl3 h ILE 86 N 0.00 0.01 0.04 -0.61 5.03 -1.98 -1.47 117.51 118.53 3hl3 h ILE 86 Ca 0.00 -0.00 -0.14 0.00 -0.12 0.00 0.00 64.86 64.60 3hl3 h ILE 86 Cb 0.00 0.00 0.01 0.00 -3.03 0.00 0.00 36.82 33.80 3hl3 h ILE 86 CO 0.00 0.00 -0.56 0.00 -0.68 0.00 0.00 178.15 176.91 3hl3 h ALA 87 N 1.76 0.02 -0.19 1.87 0.00 -1.92 -3.18 119.26 117.63 3hl3 h ALA 87 Ca 0.87 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3hl3 h ALA 87 Cb 2.61 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.43 3hl3 h ALA 87 CO -0.59 0.29 -0.11 0.37 0.00 0.00 0.00 179.25 179.21 3hl3 h GLN 88 N -0.30 0.30 -0.75 0.00 -0.00 -1.58 -2.67 115.11 110.11 3hl3 h GLN 88 Ca -0.08 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.47 3hl3 h GLN 88 Cb 1.33 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.73 3hl3 h GLN 88 CO 0.11 0.42 0.33 0.00 0.00 0.00 0.00 178.83 179.69 3hl3 h ALA 89 N 1.61 1.17 -0.67 3.38 0.00 -1.37 -2.42 119.26 120.95 3hl3 h ALA 89 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hl3 h ALA 89 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hl3 h ALA 89 CO 0.02 0.61 0.30 1.25 0.00 0.00 0.00 179.25 181.44 3hl3 h LEU 90 N 1.07 0.88 -1.37 0.00 5.85 -1.45 -2.58 115.31 117.71 3hl3 h LEU 90 Ca 0.26 -0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.05 3hl3 h LEU 90 Cb 0.15 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3hl3 h LEU 90 CO -0.03 0.76 0.59 1.23 -0.34 0.00 0.00 178.44 180.64 3hl3 h GLY 91 N 1.03 1.09 1.90 3.75 0.00 -1.39 -0.64 103.07 108.81 3hl3 h GLY 91 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3hl3 h GLY 91 CO -0.03 0.02 0.03 1.04 0.00 0.00 0.00 176.54 177.61 3hl3 n LEU 92 N -4.56 0.31 -0.98 3.11 4.77 -0.97 -2.09 117.00 116.59 3hl3 n LEU 92 Ca 0.19 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.92 3hl3 n LEU 92 Cb 0.59 -0.66 0.17 0.00 -2.33 0.00 0.00 43.42 41.19 3hl3 n LEU 92 CO 0.29 -0.74 0.67 0.00 -1.33 0.00 0.00 177.39 176.29 3hl3 h GLU 94 N 4.44 -0.13 -0.28 0.00 4.81 -1.57 -0.58 114.58 121.27 3hl3 h GLU 94 Ca 0.00 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 3hl3 h GLU 94 Cb 0.95 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 3hl3 h GLU 94 CO 0.00 -0.09 -0.55 -0.44 -0.73 0.00 0.00 179.01 177.21 3hl3 h ASP 95 N -0.14 0.93 -0.52 1.04 3.32 -1.86 -1.36 116.42 117.84 3hl3 h ASP 95 Ca 0.24 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.86 3hl3 h ASP 95 Cb 0.52 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 3hl3 h ASP 95 CO -0.63 1.29 0.20 0.15 -1.72 0.00 0.00 179.24 178.53 3hl3 h PHE 96 N 0.64 0.36 -0.02 4.55 3.57 -1.68 -3.08 116.94 121.29 3hl3 h PHE 96 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3hl3 h PHE 96 Cb 1.15 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3hl3 h PHE 96 CO 0.07 0.12 -0.11 0.28 -2.23 0.00 0.00 178.31 176.44 3hl3 h VAL 97 N 0.39 1.51 0.00 1.41 2.07 -1.06 -3.49 116.25 117.09 3hl3 h VAL 97 Ca 0.25 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3hl3 h VAL 97 Cb 0.25 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3hl3 h VAL 97 CO -0.24 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.41 3hl3 n GLY 98 N 0.77 2.50 1.28 2.17 0.00 -0.52 -2.72 105.19 108.67 3hl3 n GLY 98 Ca -0.09 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.72 3hl3 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hl3 n ASN 99 N 7.40 3.74 -2.70 1.61 5.03 -1.26 -4.78 115.26 124.29 3hl3 n ASN 99 Ca 0.00 -2.16 -0.08 0.00 0.87 0.00 0.00 54.58 53.21 3hl3 n ASN 99 Cb 0.00 -0.47 0.04 0.00 -1.02 0.00 0.00 39.78 38.33 3hl3 n ASN 99 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3hl3 n ASP 100 N 1.19 0.28 -4.76 6.41 8.00 -1.10 -4.81 116.55 121.76 3hl3 n ASP 100 Ca 0.22 -1.28 -0.23 0.00 0.71 0.00 0.00 54.79 54.21 3hl3 n ASP 100 Cb 0.64 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 3hl3 n ASP 100 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hl3 s ARG 101 N -3.42 2.43 0.08 -1.24 0.52 -1.20 -3.34 118.95 112.77 3hl3 s ARG 101 Ca 0.21 -1.52 0.06 0.00 -0.52 0.00 0.00 55.73 53.96 3hl3 s ARG 101 Cb -0.01 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 3hl3 s ARG 101 CO 0.14 0.08 -0.16 -1.64 0.02 0.00 0.00 175.30 173.74 3hl3 s MET 102 N -3.89 0.91 -0.21 3.54 -1.94 0.75 -0.24 119.30 118.23 3hl3 s MET 102 Ca 0.39 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 3hl3 s MET 102 Cb -0.03 -1.00 0.05 0.00 2.01 0.00 0.00 34.83 35.87 3hl3 s MET 102 CO 0.23 0.22 -0.08 0.08 -0.01 0.00 0.00 175.02 175.47 3hl3 s VAL 103 N -1.26 1.59 -0.22 -6.03 1.01 -0.61 -1.17 120.40 113.71 3hl3 s VAL 103 Ca 0.01 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 3hl3 s VAL 103 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3hl3 s VAL 103 CO 0.03 0.06 0.07 -0.69 0.00 0.00 0.00 175.10 174.57 3hl3 s VAL 104 N 1.40 4.54 -0.19 2.92 1.01 0.16 -1.28 120.40 128.95 3hl3 s VAL 104 Ca -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3hl3 s VAL 104 Cb -0.17 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3hl3 s VAL 104 CO -0.07 0.39 -0.18 -0.63 0.00 0.00 0.00 175.10 174.61 3hl3 s ILE 105 N 1.04 2.01 0.10 2.22 1.01 0.02 -0.80 121.20 126.80 3hl3 s ILE 105 Ca 0.04 -1.00 -0.31 0.00 0.00 0.00 0.00 60.65 59.38 3hl3 s ILE 105 Cb -0.14 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 3hl3 s ILE 105 CO 0.03 0.44 1.52 -0.76 0.00 0.00 0.00 174.94 176.17 3hl3 s LEU 106 N 1.29 4.36 0.55 2.97 1.43 -0.23 -2.05 118.68 127.01 3hl3 s LEU 106 Ca 0.03 2.43 0.31 0.00 -1.03 0.00 0.00 54.13 55.87 3hl3 s LEU 106 Cb -0.14 -3.58 1.47 0.00 0.03 0.00 0.00 46.19 43.97 3hl3 s LEU 106 CO -0.12 -0.78 1.87 1.23 0.23 0.00 0.00 176.35 178.78 3hl3 h GLY 107 N 7.45 0.00 -2.21 -3.19 0.00 -1.49 -1.99 103.07 101.64 3hl3 h GLY 107 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hl3 h GLY 107 CO 0.90 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.53 3hl3 n ASP 108 N -4.07 3.22 -4.47 0.19 5.75 -1.26 -4.57 116.55 111.35 3hl3 n ASP 108 Ca 0.16 -2.00 -0.43 0.00 -0.01 0.00 0.00 54.79 52.50 3hl3 n ASP 108 Cb 0.92 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 3hl3 n ASP 108 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3hl3 s ASN 109 N -1.00 6.25 -0.14 -1.12 0.02 -0.75 -0.29 114.94 117.91 3hl3 s ASN 109 Ca 0.40 -0.74 -0.05 0.00 -1.02 0.00 0.00 52.86 51.45 3hl3 s ASN 109 Cb 0.21 -2.31 -0.03 0.00 0.02 0.00 0.00 41.25 39.14 3hl3 s ASN 109 CO 0.27 -0.90 0.02 -0.63 0.02 0.00 0.00 177.10 175.88 3hl3 s ILE 110 N 2.80 4.42 0.11 0.60 -1.09 -0.38 -4.87 121.20 122.79 3hl3 s ILE 110 Ca 0.18 -0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 58.24 3hl3 s ILE 110 Cb -0.17 -2.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.81 3hl3 s ILE 110 CO 0.14 0.52 0.45 0.72 -1.23 0.00 0.00 174.94 175.54 3hl3 s PHE 111 N -0.07 -0.29 0.02 3.97 -0.12 -1.26 -1.19 117.98 119.03 3hl3 s PHE 111 Ca 0.04 0.07 -0.13 0.00 -0.05 0.00 0.00 56.93 56.86 3hl3 s PHE 111 Cb -0.13 0.31 -0.34 0.00 -0.63 0.00 0.00 43.02 42.24 3hl3 s PHE 111 CO 0.02 -0.70 0.95 0.66 -0.05 0.00 0.00 175.22 176.09 3hl3 h SER 112 N 2.43 0.76 -3.75 1.98 4.64 -1.69 -3.48 113.55 114.44 3hl3 h SER 112 Ca -0.33 -0.86 -0.56 0.00 -0.47 0.00 0.00 61.79 59.57 3hl3 h SER 112 Cb 1.25 -0.25 0.13 0.00 -0.31 0.00 0.00 62.40 63.22 3hl3 h SER 112 CO 0.44 1.69 0.58 0.47 -0.87 0.00 0.00 176.83 179.14 3hl3 n ASP 113 N -3.67 2.86 -4.74 4.97 9.92 -1.26 -4.98 116.55 119.65 3hl3 n ASP 113 Ca -0.18 1.10 -0.41 0.00 -0.53 0.00 0.00 54.79 54.78 3hl3 n ASP 113 Cb 1.09 -1.55 -0.04 0.00 -0.64 0.00 0.00 41.12 39.98 3hl3 n ASP 113 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3hl3 s ASP 114 N -0.54 7.28 0.00 -2.24 1.01 -1.26 -4.93 116.67 115.99 3hl3 s ASP 114 Ca 0.62 2.12 0.27 0.00 0.71 0.00 0.00 52.55 56.27 3hl3 s ASP 114 Cb -0.48 -2.61 0.87 0.00 1.01 0.00 0.00 42.92 41.72 3hl3 s ASP 114 CO 0.57 -0.19 1.64 2.30 0.21 0.00 0.00 175.17 179.70 3hl3 n ILE 115 N 2.11 0.00 -0.20 0.77 -5.35 -1.26 -4.37 119.36 111.06 3hl3 n ILE 115 Ca 0.02 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3hl3 n ILE 115 Cb 0.46 0.24 0.08 0.00 -1.74 0.00 0.00 39.64 38.68 3hl3 n ILE 115 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3hl3 h ARG 116 N 0.93 0.05 -0.64 6.28 2.43 -1.91 -0.68 114.38 120.83 3hl3 h ARG 116 Ca 0.00 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3hl3 h ARG 116 Cb 0.47 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3hl3 h ARG 116 CO 0.00 0.04 0.43 -1.35 -1.51 0.00 0.00 179.97 177.57 3hl3 h PRO 117 N 0.05 0.72 -0.00 0.20 0.11 -2.00 0.10 132.00 131.18 3hl3 h PRO 117 Ca 0.31 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.19 3hl3 h PRO 117 Cb 0.49 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3hl3 h PRO 117 CO -0.58 0.48 -0.83 1.88 -0.21 0.00 0.00 178.00 178.74 3hl3 h TYR 118 N 0.74 0.19 -0.24 0.65 0.05 -1.48 -2.14 116.97 114.74 3hl3 h TYR 118 Ca 0.26 -0.10 -0.13 0.00 0.05 0.00 0.00 58.73 58.81 3hl3 h TYR 118 Cb 0.11 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 3hl3 h TYR 118 CO -0.00 0.90 -0.38 0.28 -1.05 0.00 0.00 178.16 177.91 3hl3 h VAL 119 N 0.07 1.30 -0.31 -2.88 2.07 -0.24 -1.41 116.25 114.85 3hl3 h VAL 119 Ca -0.03 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 65.83 3hl3 h VAL 119 Cb 1.44 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3hl3 h VAL 119 CO 0.12 0.48 -0.34 -0.33 0.02 0.00 0.00 177.57 177.52 3hl3 h GLU 120 N 0.45 0.77 -0.49 1.57 5.08 -0.90 -0.29 114.58 120.78 3hl3 h GLU 120 Ca 0.04 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3hl3 h GLU 120 Cb 0.87 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3hl3 h GLU 120 CO 0.07 1.05 0.20 0.93 -1.00 0.00 0.00 179.01 180.26 3hl3 h GLU 121 N 0.53 0.73 -0.72 2.33 5.08 -1.29 -2.66 114.58 118.59 3hl3 h GLU 121 Ca 0.04 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3hl3 h GLU 121 Cb 0.93 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3hl3 h GLU 121 CO 0.08 0.65 0.37 0.35 -1.00 0.00 0.00 179.01 179.46 3hl3 h PHE 122 N 0.65 1.01 -0.23 4.33 3.57 -1.14 -0.90 116.94 124.23 3hl3 h PHE 122 Ca 0.16 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3hl3 h PHE 122 Cb 0.19 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3hl3 h PHE 122 CO 0.00 0.74 0.23 1.15 -2.23 0.00 0.00 178.31 178.19 3hl3 h THR 123 N 1.00 0.55 -0.05 4.41 2.02 -0.78 0.52 112.91 120.58 3hl3 h THR 123 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 3hl3 h THR 123 Cb 0.08 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3hl3 h THR 123 CO -0.04 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.44 3hl3 n ASN 124 N -3.95 2.44 -4.65 4.18 3.02 -0.40 -4.85 115.26 111.05 3hl3 n ASN 124 Ca 0.03 -1.81 -0.40 0.00 -0.03 0.00 0.00 54.58 52.36 3hl3 n ASN 124 Cb 0.36 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 3hl3 n ASN 124 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hl3 s GLN 125 N -1.97 4.18 0.30 3.52 0.74 0.17 -4.97 119.66 121.63 3hl3 s GLN 125 Ca 0.32 0.61 0.06 0.00 0.05 0.00 0.00 55.36 56.40 3hl3 s GLN 125 Cb 0.20 -3.60 0.73 0.00 1.10 0.00 0.00 33.01 31.44 3hl3 s GLN 125 CO 0.31 -0.31 1.77 -0.22 -0.55 0.00 0.00 175.29 176.29 3hl3 h LYS 126 N 7.63 0.71 -2.38 1.67 3.64 -1.89 -3.46 116.57 122.50 3hl3 h LYS 126 Ca -0.29 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.22 3hl3 h LYS 126 Cb 1.13 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 3hl3 h LYS 126 CO 0.78 0.47 0.51 -1.83 -2.27 0.00 0.00 179.45 177.11 3hl3 s GLU 127 N -5.86 1.23 0.00 1.90 -1.05 -1.26 -5.15 118.70 108.51 3hl3 s GLU 127 Ca -0.11 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 3hl3 s GLU 127 Cb 0.25 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.34 3hl3 s GLU 127 CO 0.80 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.85 3hl3 n GLY 128 N -0.53 0.79 3.44 -3.83 0.00 -1.26 -4.87 105.19 98.93 3hl3 n GLY 128 Ca -0.05 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 3hl3 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl3 s ALA 129 N -2.00 0.51 -0.11 4.61 0.00 -0.91 -2.16 121.76 121.71 3hl3 s ALA 129 Ca 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 50.57 3hl3 s ALA 129 Cb 0.00 1.20 0.05 0.00 0.00 0.00 0.00 23.12 24.37 3hl3 s ALA 129 CO 0.00 -0.76 0.26 0.21 0.00 0.00 0.00 175.76 175.48 3hl3 s LYS 130 N -3.78 0.23 0.17 0.00 2.20 -0.25 -1.58 119.74 116.74 3hl3 s LYS 130 Ca 0.30 0.55 0.07 0.00 -0.36 0.00 0.00 55.97 56.53 3hl3 s LYS 130 Cb 0.02 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 3hl3 s LYS 130 CO 0.14 -0.16 0.01 0.14 -0.36 0.00 0.00 175.35 175.11 3hl3 s VAL 131 N 1.25 3.77 -0.15 4.02 -7.23 -0.59 -1.63 120.40 119.85 3hl3 s VAL 131 Ca -0.09 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3hl3 s VAL 131 Cb -0.10 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 3hl3 s VAL 131 CO -0.09 -0.11 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.70 3hl3 s LEU 132 N -2.97 2.65 0.06 1.32 1.43 -1.25 -2.43 118.68 117.49 3hl3 s LEU 132 Ca 0.28 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3hl3 s LEU 132 Cb -0.09 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3hl3 s LEU 132 CO 0.19 0.11 0.13 -0.76 0.23 0.00 0.00 176.35 176.25 3hl3 s LEU 133 N 0.67 4.03 -0.03 1.79 1.43 0.14 -1.65 118.68 125.06 3hl3 s LEU 133 Ca -0.07 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3hl3 s LEU 133 Cb -0.15 -2.63 0.03 0.00 0.03 0.00 0.00 46.19 43.47 3hl3 s LEU 133 CO 0.02 0.19 0.03 -1.58 0.23 0.00 0.00 176.35 175.24 3hl3 s GLN 134 N -2.33 0.04 -0.01 1.70 2.00 -0.47 -0.60 119.66 119.99 3hl3 s GLN 134 Ca 0.30 0.22 -0.30 0.00 -2.00 0.00 0.00 55.36 53.58 3hl3 s GLN 134 Cb -0.12 -0.39 -0.04 0.00 0.80 0.00 0.00 33.01 33.25 3hl3 s GLN 134 CO 0.23 -0.21 1.23 0.45 -0.50 0.00 0.00 175.29 176.49 3hl3 s SER 135 N 1.40 7.03 0.23 6.67 0.15 -1.26 -0.76 113.70 127.15 3hl3 s SER 135 Ca -0.05 1.92 0.04 0.00 0.70 0.00 0.00 55.95 58.57 3hl3 s SER 135 Cb -0.13 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 3hl3 s SER 135 CO -0.03 -0.57 -0.03 0.68 1.20 0.00 0.00 173.24 174.49 3hl3 s VAL 136 N 1.91 1.21 0.12 4.45 -7.23 0.04 -4.93 120.40 115.96 3hl3 s VAL 136 Ca 0.58 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 3hl3 s VAL 136 Cb -0.27 -2.29 -0.17 0.00 0.56 0.00 0.00 36.38 34.20 3hl3 s VAL 136 CO 0.25 -0.38 1.30 0.44 -0.31 0.00 0.00 175.10 176.39 3hl3 h ASP 137 N 2.47 0.73 -2.56 4.85 5.19 -1.95 -3.39 116.42 121.76 3hl3 h ASP 137 Ca -0.38 -0.54 -0.60 0.00 -0.62 0.00 0.00 57.03 54.89 3hl3 h ASP 137 Cb 1.22 -0.22 -0.41 0.00 0.18 0.00 0.00 39.33 40.10 3hl3 h ASP 137 CO 0.65 1.32 -0.74 -0.67 -3.12 0.00 0.00 179.24 176.68 3hl3 n ASP 138 N -3.84 2.01 0.25 6.45 2.03 -1.26 -4.95 116.55 117.24 3hl3 n ASP 138 Ca -0.08 -3.01 0.16 0.00 0.52 0.00 0.00 54.79 52.38 3hl3 n ASP 138 Cb 0.80 -0.67 0.86 0.00 -0.72 0.00 0.00 41.12 41.38 3hl3 n ASP 138 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hl3 h PRO 139 N 4.96 0.00 -0.28 -0.67 0.13 -1.88 -2.84 132.00 131.42 3hl3 h PRO 139 Ca 0.18 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.39 3hl3 h PRO 139 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3hl3 h PRO 139 CO 0.63 0.00 0.55 1.49 -0.23 0.00 0.00 178.00 180.44 3hl3 h GLU 140 N 0.00 0.00 -0.00 0.86 4.81 -1.93 -0.31 114.58 118.01 3hl3 h GLU 140 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hl3 h GLU 140 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3hl3 h GLU 140 CO -0.00 0.00 -0.27 0.54 -0.73 0.00 0.00 179.01 178.55 3hl3 n ARG 141 N -3.20 0.36 -2.74 1.92 1.74 -1.07 -4.23 116.66 109.45 3hl3 n ARG 141 Ca 0.05 -0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 56.87 3hl3 n ARG 141 Cb 0.67 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 3hl3 n ARG 141 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hl3 n PHE 142 N -1.17 0.13 -2.85 -1.55 3.72 -0.13 -4.80 117.46 110.81 3hl3 n PHE 142 Ca 0.09 -0.77 -0.40 0.00 -0.05 0.00 0.00 57.45 56.32 3hl3 n PHE 142 Cb 0.32 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 3hl3 n PHE 142 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hl3 s GLY 143 N -1.77 2.93 -0.12 1.37 0.00 -1.26 -0.24 107.32 108.23 3hl3 s GLY 143 Ca 0.04 0.45 0.03 0.00 0.00 0.00 0.00 44.72 45.24 3hl3 s GLY 143 CO 0.03 1.23 -0.22 0.14 0.00 0.00 0.00 173.10 174.28 3hl3 s VAL 144 N -0.29 2.18 -0.11 1.40 1.01 0.15 0.08 120.40 124.82 3hl3 s VAL 144 Ca 0.42 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 3hl3 s VAL 144 Cb -0.23 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hl3 s VAL 144 CO 0.27 0.55 0.72 0.00 0.00 0.00 0.00 175.10 176.64 3hl3 s ALA 145 N 0.59 3.41 -0.52 5.51 0.00 -0.13 -1.55 121.76 129.08 3hl3 s ALA 145 Ca -0.12 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 3hl3 s ALA 145 Cb -0.17 -3.02 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3hl3 s ALA 145 CO 0.03 -0.31 0.51 1.21 0.00 0.00 0.00 175.76 177.21 3hl3 s ASN 146 N 0.95 6.18 -0.15 0.00 2.47 -0.14 -4.44 114.94 119.81 3hl3 s ASN 146 Ca 0.36 -1.46 -0.07 0.00 0.42 0.00 0.00 52.86 52.11 3hl3 s ASN 146 Cb -0.17 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 3hl3 s ASN 146 CO 0.15 -0.83 0.09 -0.63 -3.72 0.00 0.00 177.10 172.16 3hl3 s ILE 147 N 1.92 5.07 -0.04 -5.21 -1.09 -1.26 -0.69 121.20 119.91 3hl3 s ILE 147 Ca 0.06 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.53 3hl3 s ILE 147 Cb -0.26 -3.24 0.03 0.00 -1.58 0.00 0.00 42.46 37.41 3hl3 s ILE 147 CO 0.06 0.53 0.08 -1.10 -1.23 0.00 0.00 174.94 173.28 3hl3 s GLN 148 N -0.28 0.02 -1.48 2.79 -0.21 -0.10 -4.87 119.66 115.53 3hl3 s GLN 148 Ca 0.09 0.25 -0.05 0.00 0.02 0.00 0.00 55.36 55.68 3hl3 s GLN 148 Cb -0.12 -0.21 0.04 0.00 1.00 0.00 0.00 33.01 33.73 3hl3 s GLN 148 CO 0.01 -0.16 0.52 0.09 -2.12 0.00 0.00 175.29 173.64 3hl3 n ASN 149 N 4.13 -1.19 -1.61 5.90 3.02 -1.26 -0.43 115.26 123.82 3hl3 n ASN 149 Ca -0.26 -1.00 -0.19 0.00 -0.03 0.00 0.00 54.58 53.10 3hl3 n ASN 149 Cb 0.51 -3.01 -0.06 0.00 -0.61 0.00 0.00 39.78 36.61 3hl3 n ASN 149 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hl3 n ARG 150 N -4.42 -1.35 -4.44 3.52 1.74 -1.26 -5.00 116.66 105.45 3hl3 n ARG 150 Ca -0.21 1.10 -0.20 0.00 -0.77 0.00 0.00 57.85 57.77 3hl3 n ARG 150 Cb 0.63 -5.45 -0.15 0.00 -1.02 0.00 0.00 32.46 26.48 3hl3 n ARG 150 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3hl3 s LYS 151 N -3.92 0.87 -0.37 5.56 1.02 0.43 -5.08 119.74 118.25 3hl3 s LYS 151 Ca 0.00 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 3hl3 s LYS 151 Cb 0.00 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 3hl3 s LYS 151 CO 0.00 0.23 1.16 0.42 -0.92 0.00 0.00 175.35 176.24 3hl3 s ILE 152 N -0.34 4.29 -0.35 2.17 1.01 -1.26 -0.92 121.20 125.80 3hl3 s ILE 152 Ca 0.04 1.43 0.23 0.00 0.00 0.00 0.00 60.65 62.34 3hl3 s ILE 152 Cb -0.05 -4.41 0.10 0.00 0.01 0.00 0.00 42.46 38.11 3hl3 s ILE 152 CO -0.00 -0.67 1.24 0.40 0.00 0.00 0.00 174.94 175.90 3hl3 h ILE 153 N 5.99 0.00 -1.02 2.92 1.08 -1.25 -3.49 117.51 121.75 3hl3 h ILE 153 Ca -0.23 -0.92 0.25 0.00 -0.39 0.00 0.00 64.86 63.57 3hl3 h ILE 153 Cb 1.07 1.57 -0.28 0.00 -3.07 0.00 0.00 36.82 36.11 3hl3 h ILE 153 CO 1.07 0.00 0.98 -0.70 -0.69 0.00 0.00 178.15 178.81 3hl3 s GLU 154 N -3.30 0.02 -0.03 2.37 2.12 -1.24 -5.02 118.70 113.62 3hl3 s GLU 154 Ca 0.02 0.00 0.07 0.00 0.36 0.00 0.00 54.97 55.43 3hl3 s GLU 154 Cb 0.09 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 3hl3 s GLU 154 CO 0.75 -0.00 -0.23 0.42 -0.54 0.00 0.00 175.26 175.65 3hl3 s ILE 155 N -0.92 1.83 -0.05 -3.70 1.01 -1.26 -0.97 121.20 117.14 3hl3 s ILE 155 Ca 0.10 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3hl3 s ILE 155 Cb -0.01 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.94 3hl3 s ILE 155 CO -0.09 0.52 -0.09 -0.70 0.00 0.00 0.00 174.94 174.57 3hl3 s GLU 156 N -0.40 1.32 -0.09 2.79 2.12 -0.59 -4.93 118.70 118.92 3hl3 s GLU 156 Ca 0.05 -0.29 -0.25 0.00 0.36 0.00 0.00 54.97 54.84 3hl3 s GLU 156 Cb -0.10 -1.15 -0.03 0.00 0.26 0.00 0.00 34.13 33.11 3hl3 s GLU 156 CO 0.00 -0.01 0.79 -2.00 -0.54 0.00 0.00 175.26 173.51 3hl3 s GLU 157 N 0.72 4.42 -1.50 4.30 2.56 -1.26 0.34 118.70 128.28 3hl3 s GLU 157 Ca -0.13 1.02 -0.03 0.00 0.00 0.00 0.00 54.97 55.84 3hl3 s GLU 157 Cb -0.15 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.50 3hl3 s GLU 157 CO 0.02 -0.08 0.13 1.63 -0.56 0.00 0.00 175.26 176.40 3hl3 n LYS 158 N 4.25 -1.31 -1.89 4.30 4.01 0.67 -4.87 118.16 123.32 3hl3 n LYS 158 Ca 0.02 0.15 -0.41 0.00 -0.51 0.00 0.00 58.31 57.55 3hl3 n LYS 158 Cb 0.50 -3.68 -0.02 0.00 -0.51 0.00 0.00 35.03 31.33 3hl3 n LYS 158 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3hl3 s PRO 159 N -7.23 4.19 0.32 1.97 0.04 -1.26 -4.87 135.00 128.16 3hl3 s PRO 159 Ca 0.04 2.46 0.10 0.00 0.04 0.00 0.00 61.00 63.64 3hl3 s PRO 159 Cb -0.02 -3.04 0.55 0.00 0.04 0.00 0.00 34.50 32.03 3hl3 s PRO 159 CO 0.98 -0.50 1.74 0.87 0.04 0.00 0.00 177.00 180.13 3hl3 h LYS 160 N 4.38 0.11 -2.66 4.56 1.79 -1.89 -3.35 116.57 119.51 3hl3 h LYS 160 Ca -0.48 -0.05 -0.60 0.00 -2.18 0.00 0.00 60.65 57.34 3hl3 h LYS 160 Cb 1.22 -0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.48 3hl3 h LYS 160 CO 0.74 0.51 -0.83 -1.21 -1.08 0.00 0.00 179.45 177.59 3hl3 s GLU 161 N -4.11 1.25 0.18 3.15 2.02 -1.26 -5.00 118.70 114.92 3hl3 s GLU 161 Ca -0.03 -2.24 -0.33 0.00 0.02 0.00 0.00 54.97 52.39 3hl3 s GLU 161 Cb 0.14 -1.99 -0.15 0.00 0.10 0.00 0.00 34.13 32.23 3hl3 s GLU 161 CO 0.75 -1.30 1.34 -2.30 0.02 0.00 0.00 175.26 173.78 3hl3 n PRO 162 N 2.96 1.62 0.16 0.39 -0.02 -1.26 -4.92 135.00 133.93 3hl3 n PRO 162 Ca 0.21 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 3hl3 n PRO 162 Cb 0.41 -2.20 0.18 0.00 -0.02 0.00 0.00 33.50 31.88 3hl3 n PRO 162 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hl3 h LYS 163 N 4.28 0.00 0.00 -0.52 1.57 -1.95 -3.47 116.57 116.48 3hl3 h LYS 163 Ca -0.45 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.23 3hl3 h LYS 163 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 3hl3 h LYS 163 CO 0.76 0.00 -0.03 -1.13 -0.57 0.00 0.00 179.45 178.48 3hl3 n SER 164 N -2.77 -0.65 -0.11 0.86 3.41 -1.26 -4.98 113.62 108.13 3hl3 n SER 164 Ca 0.03 -1.79 0.01 0.00 -0.26 0.00 0.00 58.87 56.86 3hl3 n SER 164 Cb 0.51 1.18 0.03 0.00 -0.26 0.00 0.00 64.21 65.67 3hl3 n SER 164 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hl3 n SER 165 N -1.80 2.15 -4.54 4.04 3.41 -1.26 -4.85 113.62 110.76 3hl3 n SER 165 Ca -0.00 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.19 3hl3 n SER 165 Cb 0.25 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3hl3 n SER 165 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3hl3 s TYR 166 N -0.99 2.61 0.17 7.33 2.02 -1.26 -0.78 117.35 126.45 3hl3 s TYR 166 Ca 0.04 0.05 -0.27 0.00 -0.37 0.00 0.00 57.07 56.52 3hl3 s TYR 166 Cb 0.02 -4.36 -0.08 0.00 -0.40 0.00 0.00 41.96 37.14 3hl3 s TYR 166 CO 0.03 -1.62 0.82 0.00 -1.57 0.00 0.00 175.55 173.21 3hl3 s ALA 167 N 4.66 3.41 -0.54 3.71 0.00 0.06 -0.95 121.76 132.10 3hl3 s ALA 167 Ca 0.34 0.42 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 3hl3 s ALA 167 Cb -0.10 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.02 3hl3 s ALA 167 CO 0.19 0.24 0.98 0.08 0.00 0.00 0.00 175.76 177.26 3hl3 s VAL 168 N -1.01 4.33 0.86 0.00 1.01 0.11 -1.36 120.40 124.35 3hl3 s VAL 168 Ca 0.38 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 3hl3 s VAL 168 Cb -0.24 -4.56 0.11 0.00 0.00 0.00 0.00 36.38 31.70 3hl3 s VAL 168 CO 0.27 -1.11 1.10 0.42 0.00 0.00 0.00 175.10 175.79 3hl3 s THR 169 N 4.10 2.74 -0.15 3.92 -4.23 -0.66 -4.47 115.64 116.89 3hl3 s THR 169 Ca 0.34 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 3hl3 s THR 169 Cb -0.11 -2.56 -0.14 0.00 1.34 0.00 0.00 72.50 71.03 3hl3 s THR 169 CO 0.21 -0.31 3.22 0.61 -0.54 0.00 0.00 174.62 177.81 3hl3 n GLY 170 N -0.64 3.42 2.71 3.99 0.00 -1.26 -4.68 105.19 108.73 3hl3 n GLY 170 Ca 0.09 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 3hl3 n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl3 s ILE 171 N -0.17 0.51 -0.04 -0.61 1.01 -1.26 -1.06 121.20 119.58 3hl3 s ILE 171 Ca 0.59 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.57 3hl3 s ILE 171 Cb 0.32 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 3hl3 s ILE 171 CO -0.07 -0.37 -0.25 -0.31 0.00 0.00 0.00 174.94 173.95 3hl3 s TYR 172 N 1.84 2.31 -0.20 3.97 2.02 0.02 -3.76 117.35 123.56 3hl3 s TYR 172 Ca 0.02 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 3hl3 s TYR 172 Cb -0.17 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 3hl3 s TYR 172 CO -0.15 -0.14 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.14 3hl3 s LEU 173 N -0.33 2.97 0.12 -1.29 1.02 -0.64 0.37 118.68 120.90 3hl3 s LEU 173 Ca 0.02 -0.32 0.05 0.00 0.02 0.00 0.00 54.13 53.90 3hl3 s LEU 173 Cb -0.12 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 3hl3 s LEU 173 CO 0.02 0.04 -0.12 -0.31 0.02 0.00 0.00 176.35 176.00 3hl3 s TYR 174 N 1.13 1.28 0.54 0.29 2.02 -0.32 -1.09 117.35 121.20 3hl3 s TYR 174 Ca 0.02 -0.63 0.05 0.00 -0.37 0.00 0.00 57.07 56.14 3hl3 s TYR 174 Cb -0.15 -0.67 0.06 0.00 -0.40 0.00 0.00 41.96 40.80 3hl3 s TYR 174 CO -0.00 0.09 0.75 0.16 -1.57 0.00 0.00 175.55 174.98 3hl3 s ASP 175 N -2.62 5.19 0.05 2.29 1.47 -0.92 -0.18 116.67 121.97 3hl3 s ASP 175 Ca 0.10 -0.41 0.14 0.00 1.18 0.00 0.00 52.55 53.56 3hl3 s ASP 175 Cb -0.03 -0.37 0.60 0.00 -0.34 0.00 0.00 42.92 42.78 3hl3 s ASP 175 CO 0.02 -1.19 1.44 -1.54 0.68 0.00 0.00 175.17 174.57 3hl3 n SER 176 N -2.25 0.13 0.17 2.11 3.41 -1.21 -2.94 113.62 113.03 3hl3 n SER 176 Ca 0.11 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 3hl3 n SER 176 Cb 0.60 -0.56 0.57 0.00 -0.26 0.00 0.00 64.21 64.56 3hl3 n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hl3 h LYS 177 N 0.00 0.00 -0.42 4.33 1.57 -1.93 -2.89 116.57 117.22 3hl3 h LYS 177 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hl3 h LYS 177 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hl3 h LYS 177 CO 0.00 0.00 0.25 -0.24 -0.57 0.00 0.00 179.45 178.89 3hl3 h VAL 178 N 0.00 1.12 -0.11 0.50 3.04 -1.93 -1.69 116.25 117.19 3hl3 h VAL 178 Ca 0.00 -0.27 -0.09 0.00 -1.01 0.00 0.00 66.70 65.33 3hl3 h VAL 178 Cb 0.33 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 3hl3 h VAL 178 CO 0.00 0.13 -0.35 -0.26 -1.01 0.00 0.00 177.57 176.07 3hl3 h PHE 179 N 0.58 0.26 -0.37 3.17 0.04 -1.79 -2.74 116.94 116.10 3hl3 h PHE 179 Ca 0.15 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 3hl3 h PHE 179 Cb -0.02 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3hl3 h PHE 179 CO 0.00 0.56 0.12 0.77 -0.60 0.00 0.00 178.31 179.16 3hl3 h SER 180 N 0.20 0.53 0.25 2.17 0.02 -1.48 0.53 113.55 115.78 3hl3 h SER 180 Ca 0.02 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3hl3 h SER 180 Cb 0.72 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3hl3 h SER 180 CO 0.05 0.59 -0.31 0.22 -1.14 0.00 0.00 176.83 176.24 3hl3 h TYR 181 N 0.44 -0.84 0.68 3.45 5.03 -1.34 0.46 116.97 124.85 3hl3 h TYR 181 Ca 0.12 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 3hl3 h TYR 181 Cb 0.25 0.33 0.01 0.00 1.55 0.00 0.00 36.73 38.87 3hl3 h TYR 181 CO 0.01 -0.43 -0.32 0.82 -1.32 0.00 0.00 178.16 176.91 3hl3 h ILE 182 N -0.61 0.32 -0.44 1.81 2.04 -1.39 -2.32 117.51 116.91 3hl3 h ILE 182 Ca -0.00 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.90 3hl3 h ILE 182 Cb 0.58 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 3hl3 h ILE 182 CO -0.10 0.01 -0.24 0.50 0.00 0.00 0.00 178.15 178.32 3hl3 h LYS 183 N -0.94 -0.15 -0.98 2.37 3.64 0.14 -0.80 116.57 119.85 3hl3 h LYS 183 Ca -0.09 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.03 3hl3 h LYS 183 Cb 0.71 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 32.40 3hl3 h LYS 183 CO 0.15 -0.10 0.34 0.39 -2.27 0.00 0.00 179.45 177.96 3hl3 n GLU 184 N -5.40 1.85 0.00 1.90 1.02 0.16 -4.77 120.64 115.40 3hl3 n GLU 184 Ca 0.03 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 3hl3 n GLU 184 Cb 0.32 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3hl3 n GLU 184 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hl3 n LEU 185 N -0.36 0.00 0.00 -4.62 7.94 -0.31 -4.95 117.00 114.70 3hl3 n LEU 185 Ca 0.32 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 3hl3 n LEU 185 Cb 1.13 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.08 3hl3 n LEU 185 CO 0.33 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.90 3hl3 n LYS 186 N 0.00 0.00 -0.03 1.96 5.02 -1.26 -5.09 118.16 118.76 3hl3 n LYS 186 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3hl3 n LYS 186 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3hl3 n LYS 186 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3hl3 n PRO 187 N 0.00 0.23 0.00 1.97 -0.05 -1.26 -4.17 135.00 131.72 3hl3 n PRO 187 Ca 0.00 0.09 0.14 0.00 -0.05 0.00 0.00 63.50 63.68 3hl3 n PRO 187 Cb 0.00 -0.85 0.62 0.00 -0.05 0.00 0.00 33.50 33.22 3hl3 n PRO 187 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3hl3 n SER 188 N -3.54 0.00 0.26 3.54 3.41 -1.26 -2.56 113.62 113.47 3hl3 n SER 188 Ca -0.06 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 3hl3 n SER 188 Cb 0.23 -0.46 0.70 0.00 -0.26 0.00 0.00 64.21 64.42 3hl3 n SER 188 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hl3 h ALA 189 N 3.03 1.26 0.00 7.33 0.00 -2.01 -1.46 119.26 127.41 3hl3 h ALA 189 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hl3 h ALA 189 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hl3 h ALA 189 CO 0.00 0.16 -0.27 -0.09 0.00 0.00 0.00 179.25 179.05 3hl3 h ARG 190 N 0.00 0.00 -0.08 0.00 2.43 -1.77 -2.42 114.38 112.55 3hl3 h ARG 190 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3hl3 h ARG 190 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3hl3 h ARG 190 CO 0.02 0.27 -0.72 0.78 -1.51 0.00 0.00 179.97 178.81 3hl3 h GLY 191 N 2.26 0.44 2.00 2.80 0.00 -1.44 -3.12 103.07 106.01 3hl3 h GLY 191 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3hl3 h GLY 191 CO 0.04 0.55 0.00 -2.09 0.00 0.00 0.00 176.54 175.03 3hl3 h GLU 192 N 0.27 0.00 -6.98 4.80 4.57 -1.44 -3.43 114.58 112.38 3hl3 h GLU 192 Ca -0.03 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.61 3hl3 h GLU 192 Cb 1.29 0.00 0.11 0.00 -0.16 0.00 0.00 28.75 30.00 3hl3 h GLU 192 CO 0.12 0.00 0.71 -1.17 -1.18 0.00 0.00 179.01 177.49 3hl3 s LEU 193 N -5.13 4.16 0.17 1.64 2.96 -0.92 -5.04 118.68 116.51 3hl3 s LEU 193 Ca 0.09 2.93 0.08 0.00 -0.22 0.00 0.00 54.13 57.01 3hl3 s LEU 193 Cb 0.10 -3.88 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 3hl3 s LEU 193 CO 0.62 -1.10 -0.17 -1.61 -1.32 0.00 0.00 176.35 172.78 3hl3 s GLU 194 N -2.37 1.26 0.40 1.98 2.02 -1.26 -4.54 118.70 116.19 3hl3 s GLU 194 Ca 0.59 -1.44 0.12 0.00 0.02 0.00 0.00 54.97 54.26 3hl3 s GLU 194 Cb -0.44 -1.22 0.93 0.00 0.10 0.00 0.00 34.13 33.51 3hl3 s GLU 194 CO 0.57 0.23 1.93 0.97 0.02 0.00 0.00 175.26 178.99 3hl3 h ILE 195 N 3.09 0.87 -0.95 -1.63 6.09 -1.96 -0.74 117.51 122.29 3hl3 h ILE 195 Ca -0.41 -0.19 0.08 0.00 -1.37 0.00 0.00 64.86 62.97 3hl3 h ILE 195 Cb 1.21 0.28 -0.07 0.00 0.47 0.00 0.00 36.82 38.71 3hl3 h ILE 195 CO 0.54 0.10 0.60 0.74 -3.07 0.00 0.00 178.15 177.06 3hl3 h THR 196 N 0.54 1.03 -0.53 2.19 2.02 -1.98 -1.22 112.91 114.96 3hl3 h THR 196 Ca 0.35 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 67.19 3hl3 h THR 196 Cb 0.63 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3hl3 h THR 196 CO -0.12 0.19 0.32 0.44 0.37 0.00 0.00 175.52 176.73 3hl3 h ASP 197 N 1.06 0.53 -0.40 4.18 3.32 -1.52 0.22 116.42 123.81 3hl3 h ASP 197 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 3hl3 h ASP 197 Cb 0.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3hl3 h ASP 197 CO -0.19 0.38 0.26 0.40 -1.72 0.00 0.00 179.24 178.37 3hl3 h ILE 198 N 0.65 1.10 -0.84 0.35 2.04 -1.29 -0.57 117.51 118.95 3hl3 h ILE 198 Ca 0.21 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3hl3 h ILE 198 Cb 0.00 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3hl3 h ILE 198 CO -0.09 0.10 0.39 0.78 0.00 0.00 0.00 178.15 179.33 3hl3 h ASN 199 N 0.54 1.11 0.41 1.72 2.35 -0.45 -1.85 115.58 119.41 3hl3 h ASN 199 Ca 0.15 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3hl3 h ASN 199 Cb -0.06 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 3hl3 h ASN 199 CO -0.03 0.95 -0.38 0.78 -1.65 0.00 0.00 177.43 177.10 3hl3 h ASN 200 N 1.21 0.00 -0.21 5.81 2.35 -0.27 -1.08 115.58 123.38 3hl3 h ASN 200 Ca 0.29 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 3hl3 h ASN 200 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3hl3 h ASN 200 CO -0.03 0.38 0.06 -0.25 -1.65 0.00 0.00 177.43 175.94 3hl3 h TRP 201 N 0.00 0.34 -0.55 1.19 7.01 -0.31 0.19 115.95 123.82 3hl3 h TRP 201 Ca -0.00 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 3hl3 h TRP 201 Cb 0.69 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.62 3hl3 h TRP 201 CO 0.00 0.42 0.25 1.88 -2.79 0.00 0.00 178.44 178.20 3hl3 h TYR 202 N 0.17 0.81 0.30 2.65 0.05 -1.20 -2.18 116.97 117.56 3hl3 h TYR 202 Ca 0.07 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3hl3 h TYR 202 Cb 0.24 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 3hl3 h TYR 202 CO 0.00 0.64 -0.40 1.25 -1.05 0.00 0.00 178.16 178.60 3hl3 h LEU 203 N 0.75 -1.12 -1.02 3.88 5.85 -0.87 -1.56 115.31 121.23 3hl3 h LEU 203 Ca 0.19 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.16 3hl3 h LEU 203 Cb 0.14 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 3hl3 h LEU 203 CO -0.02 -0.52 0.63 0.11 -0.34 0.00 0.00 178.44 178.29 3hl3 h LYS 204 N -0.75 0.90 0.00 1.25 6.56 -0.57 0.63 116.57 124.59 3hl3 h LYS 204 Ca -0.01 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 3hl3 h LYS 204 Cb 0.70 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 3hl3 h LYS 204 CO -0.13 0.59 0.00 0.54 -2.06 0.00 0.00 179.45 178.40 3hl3 n ARG 205 N -4.66 0.35 -2.90 3.15 1.74 -0.83 -4.88 116.66 108.64 3hl3 n ARG 205 Ca 0.20 0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3hl3 n ARG 205 Cb 0.42 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3hl3 n ARG 205 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hl3 n GLY 206 N 0.23 -0.04 0.24 -0.13 0.00 0.22 -4.93 105.19 100.77 3hl3 n GLY 206 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.99 3hl3 n GLY 206 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hl3 n VAL 207 N -4.06 0.73 -3.48 1.61 0.24 -0.72 -5.03 118.33 107.62 3hl3 n VAL 207 Ca -0.04 -0.85 -0.38 0.00 -2.04 0.00 0.00 64.34 61.03 3hl3 n VAL 207 Cb 0.56 0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 3hl3 n VAL 207 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hl3 s LEU 208 N -1.05 4.43 0.37 1.34 2.96 -1.24 -2.13 118.68 123.36 3hl3 s LEU 208 Ca 0.11 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 54.97 3hl3 s LEU 208 Cb 0.09 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 3hl3 s LEU 208 CO 0.01 0.26 0.04 0.42 -1.32 0.00 0.00 176.35 175.77 3hl3 s THR 209 N -0.73 1.41 0.16 3.68 -4.23 -0.62 -4.95 115.64 110.36 3hl3 s THR 209 Ca 0.23 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.59 3hl3 s THR 209 Cb -0.16 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 70.92 3hl3 s THR 209 CO 0.12 0.00 0.42 -0.72 -0.54 0.00 0.00 174.62 173.90 3hl3 s TYR 210 N -3.07 -0.07 -0.04 3.99 -0.85 -1.26 -1.54 117.35 114.51 3hl3 s TYR 210 Ca 0.33 -0.27 -0.07 0.00 -0.52 0.00 0.00 57.07 56.55 3hl3 s TYR 210 Cb 0.08 0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.68 3hl3 s TYR 210 CO 0.15 -0.78 0.17 -0.80 -1.52 0.00 0.00 175.55 172.77 3hl3 s ASN 211 N -2.86 -0.10 -0.13 -0.18 -0.87 -1.02 -4.97 114.94 104.81 3hl3 s ASN 211 Ca 0.07 0.14 -0.18 0.00 -1.57 0.00 0.00 52.86 51.32 3hl3 s ASN 211 Cb 0.01 0.30 -0.04 0.00 -0.02 0.00 0.00 41.25 41.50 3hl3 s ASN 211 CO -0.07 -0.19 0.47 -1.61 -2.57 0.00 0.00 177.10 173.13 3hl3 s GLU 212 N -0.50 4.32 0.62 -0.60 2.02 -1.26 -0.69 118.70 122.62 3hl3 s GLU 212 Ca -0.06 0.43 -0.16 0.00 0.02 0.00 0.00 54.97 55.20 3hl3 s GLU 212 Cb -0.04 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 3hl3 s GLU 212 CO 0.01 0.14 1.11 -1.64 0.02 0.00 0.00 175.26 174.89 3hl3 s MET 213 N 0.70 2.99 -0.16 1.61 -1.94 0.24 -4.92 119.30 117.82 3hl3 s MET 213 Ca 0.25 1.43 -0.14 0.00 -1.71 0.00 0.00 55.69 55.53 3hl3 s MET 213 Cb -0.15 -1.97 -0.10 0.00 2.01 0.00 0.00 34.83 34.62 3hl3 s MET 213 CO 0.10 -1.11 0.07 0.77 -0.01 0.00 0.00 175.02 174.84 3hl3 h SER 214 N 0.37 0.00 0.00 3.03 0.02 -1.97 -3.48 113.55 111.53 3hl3 h SER 214 Ca -0.48 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 3hl3 h SER 214 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3hl3 h SER 214 CO 0.55 0.99 0.00 0.61 -1.14 0.00 0.00 176.83 177.84 3hl3 n GLY 215 N 1.58 1.05 3.95 -3.77 0.00 -1.26 -5.07 105.19 101.67 3hl3 n GLY 215 Ca -0.15 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 3hl3 n GLY 215 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hl3 s TRP 216 N 0.45 3.32 -0.06 1.61 1.48 -1.26 -4.92 118.94 119.56 3hl3 s TRP 216 Ca 0.00 0.27 -0.23 0.00 -1.06 0.00 0.00 56.10 55.08 3hl3 s TRP 216 Cb 0.00 -2.17 0.05 0.00 -1.16 0.00 0.00 33.47 30.19 3hl3 s TRP 216 CO 0.00 -0.19 0.51 -0.46 -4.06 0.00 0.00 176.95 172.75 3hl3 s TRP 217 N -2.47 -0.47 -0.14 1.66 -0.00 -1.26 -1.71 118.94 114.55 3hl3 s TRP 217 Ca 0.45 0.86 -0.29 0.00 -0.00 0.00 0.00 56.10 57.12 3hl3 s TRP 217 Cb -0.10 0.25 0.09 0.00 -0.00 0.00 0.00 33.47 33.72 3hl3 s TRP 217 CO 0.37 -0.47 0.82 -0.08 -0.00 0.00 0.00 176.95 177.60 3hl3 s THR 218 N -0.98 0.00 0.66 5.86 -1.32 -0.33 -5.00 115.64 114.52 3hl3 s THR 218 Ca -0.10 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.30 3hl3 s THR 218 Cb -0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 3hl3 s THR 218 CO 0.06 0.00 1.00 1.51 -2.21 0.00 0.00 174.62 174.99 3hl3 s ASP 219 N -0.80 5.38 -0.22 8.08 -4.77 -1.26 -1.26 116.67 121.82 3hl3 s ASP 219 Ca -0.05 0.84 0.15 0.00 -3.30 0.00 0.00 52.55 50.19 3hl3 s ASP 219 Cb -0.01 -1.69 0.46 0.00 -1.09 0.00 0.00 42.92 40.58 3hl3 s ASP 219 CO 0.04 -1.28 1.17 0.00 0.70 0.00 0.00 175.17 175.81 3hl3 n ALA 220 N -2.82 3.71 0.80 2.11 0.00 0.60 -4.48 120.51 120.43 3hl3 n ALA 220 Ca 0.06 -3.21 0.12 0.00 0.00 0.00 0.00 53.44 50.41 3hl3 n ALA 220 Cb 0.58 -0.53 0.24 0.00 0.00 0.00 0.00 19.45 19.73 3hl3 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl3 n GLY 221 N -0.59 1.09 3.24 0.00 0.00 -1.26 -4.48 105.19 103.18 3hl3 n GLY 221 Ca 0.24 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 3hl3 n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hl3 s THR 222 N -1.75 0.74 0.12 2.61 -4.23 -1.26 -4.43 115.64 107.43 3hl3 s THR 222 Ca 0.34 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.67 3hl3 s THR 222 Cb 0.21 -2.05 -0.06 0.00 1.34 0.00 0.00 72.50 71.94 3hl3 s THR 222 CO 0.30 -0.54 1.73 0.45 -0.54 0.00 0.00 174.62 176.02 3hl3 h HIS 223 N 2.73 0.02 0.04 3.99 3.86 -1.92 0.24 115.15 124.10 3hl3 h HIS 223 Ca -0.37 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 58.88 3hl3 h HIS 223 Cb 1.20 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.65 3hl3 h HIS 223 CO 0.55 -0.01 -0.21 0.28 0.86 0.00 0.00 177.93 179.41 3hl3 h VAL 224 N 0.07 0.52 0.00 2.45 2.07 -1.99 -1.18 116.25 118.21 3hl3 h VAL 224 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 3hl3 h VAL 224 Cb 0.09 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3hl3 h VAL 224 CO -0.12 0.00 -0.35 0.77 0.02 0.00 0.00 177.57 177.88 3hl3 h SER 225 N -0.35 0.00 -0.42 0.57 4.64 -1.82 -1.22 113.55 114.96 3hl3 h SER 225 Ca 0.05 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 3hl3 h SER 225 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3hl3 h SER 225 CO -0.16 0.35 -0.25 0.25 -0.87 0.00 0.00 176.83 176.15 3hl3 h LEU 226 N 0.00 0.96 -0.29 5.97 5.85 -0.20 -0.73 115.31 126.88 3hl3 h LEU 226 Ca -0.00 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3hl3 h LEU 226 Cb 0.69 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hl3 h LEU 226 CO 0.05 1.16 -0.03 1.56 -0.34 0.00 0.00 178.44 180.84 3hl3 h GLN 227 N 0.80 0.53 -0.27 1.25 1.08 -0.75 -1.97 115.11 115.78 3hl3 h GLN 227 Ca 0.10 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3hl3 h GLN 227 Cb 0.82 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 3hl3 h GLN 227 CO 0.07 0.70 0.10 -0.09 -0.95 0.00 0.00 178.83 178.66 3hl3 h ARG 228 N 0.31 0.22 -0.82 1.46 2.43 -1.17 -0.33 114.38 116.48 3hl3 h ARG 228 Ca 0.08 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 3hl3 h ARG 228 Cb 0.48 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 3hl3 h ARG 228 CO 0.02 0.14 0.45 0.00 -1.51 0.00 0.00 179.97 179.07 3hl3 h ALA 229 N 1.16 1.19 -0.59 2.80 0.00 -1.01 0.09 119.26 122.91 3hl3 h ALA 229 Ca 0.12 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hl3 h ALA 229 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hl3 h ALA 229 CO -0.12 0.02 0.07 -0.91 0.00 0.00 0.00 179.25 178.31 3hl3 h ASN 230 N 0.72 0.92 0.63 0.00 2.35 -0.45 -0.69 115.58 119.07 3hl3 h ASN 230 Ca 0.41 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3hl3 h ASN 230 Cb 0.46 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.59 3hl3 h ASN 230 CO -0.29 0.94 -0.30 0.00 -1.65 0.00 0.00 177.43 176.13 3hl3 h ALA 231 N 1.16 -0.85 -0.68 -0.83 0.00 0.08 -2.28 119.26 115.86 3hl3 h ALA 231 Ca 0.18 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3hl3 h ALA 231 Cb 0.44 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3hl3 h ALA 231 CO 0.01 -0.95 0.45 -0.07 0.00 0.00 0.00 179.25 178.70 3hl3 h LEU 232 N -0.91 0.49 -0.38 0.00 3.38 -0.90 -2.17 115.31 114.82 3hl3 h LEU 232 Ca -0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hl3 h LEU 232 Cb 0.67 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hl3 h LEU 232 CO 0.14 0.30 -0.18 0.00 0.09 0.00 0.00 178.44 178.78 3hl3 n ALA 233 N -2.49 2.92 -0.31 1.53 0.00 -0.28 -4.58 120.51 117.31 3hl3 n ALA 233 Ca 0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 3hl3 n ALA 233 Cb 0.35 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3hl3 n ALA 233 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hl3 n ARG 234 N -0.78 -0.27 -0.05 0.00 0.63 -0.82 -1.42 116.66 113.96 3hl3 n ARG 234 Ca 0.13 1.18 0.12 0.00 -0.92 0.00 0.00 57.85 58.36 3hl3 n ARG 234 Cb 0.32 -1.75 0.46 0.00 0.45 0.00 0.00 32.46 31.94 3hl3 n ARG 234 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3hl3 n ASP 235 N -5.05 1.37 -4.70 6.15 8.00 -1.26 -4.60 116.55 116.46 3hl3 n ASP 235 Ca 0.04 -1.58 -0.42 0.00 0.71 0.00 0.00 54.79 53.54 3hl3 n ASP 235 Cb 0.25 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3hl3 n ASP 235 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hl3 s ILE 236 N -1.88 2.94 -0.11 0.53 1.01 -0.51 -5.00 121.20 118.19 3hl3 s ILE 236 Ca 0.34 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.51 3hl3 s ILE 236 Cb 0.18 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.34 3hl3 s ILE 236 CO 0.28 0.01 -0.11 0.21 0.00 0.00 0.00 174.94 175.34 3hl3 s ASN 237 N 1.91 2.18 0.00 3.58 2.47 -1.26 -4.71 114.94 119.11 3hl3 s ASN 237 Ca 0.72 -0.34 0.24 0.00 0.42 0.00 0.00 52.86 53.90 3hl3 s ASN 237 Cb -0.41 -0.92 0.34 0.00 -1.45 0.00 0.00 41.25 38.81 3hl3 s ASN 237 CO 0.32 -0.05 1.34 0.49 -3.72 0.00 0.00 177.10 175.48 3hl3 n PHE 238 N 4.53 0.05 0.00 0.43 3.72 -1.26 -5.09 117.46 119.85 3hl3 n PHE 238 Ca -0.17 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3hl3 n PHE 238 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3hl3 n PHE 238 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hl3 n GLY 239 N 1.34 -0.09 0.36 1.37 0.00 -1.26 -4.39 105.19 102.52 3hl3 n GLY 239 Ca 0.15 -1.74 0.17 0.00 0.00 0.00 0.00 46.02 44.61 3hl3 n GLY 239 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hl3 h LYS 240 N 0.00 0.00 -0.21 1.61 2.10 -1.96 -0.04 116.57 118.07 3hl3 h LYS 240 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 3hl3 h LYS 240 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3hl3 h LYS 240 CO 0.00 0.00 -0.43 0.37 -2.00 0.00 0.00 179.45 177.39 3hl3 h GLN 241 N 0.00 0.51 0.00 0.07 4.15 -1.89 -2.09 115.11 115.87 3hl3 h GLN 241 Ca 0.09 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.24 3hl3 h GLN 241 Cb 0.86 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3hl3 h GLN 241 CO -0.00 0.85 -1.05 1.19 -1.93 0.00 0.00 178.83 177.89 3hl3 n PHE 242 N -4.01 0.00 0.29 3.99 3.72 -0.13 -4.23 117.46 117.09 3hl3 n PHE 242 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3hl3 n PHE 242 Cb 0.53 -0.04 0.05 0.00 -0.94 0.00 0.00 39.48 39.07 3hl3 n PHE 242 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3hl3 n ASN 243 N -1.55 0.76 -0.96 4.37 3.02 -0.57 -4.99 115.26 115.33 3hl3 n ASN 243 Ca 0.03 0.19 0.13 0.00 -0.03 0.00 0.00 54.58 54.90 3hl3 n ASN 243 Cb 0.34 0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 39.92 3hl3 n ASN 243 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hl3 n GLY 244 N 1.25 -1.97 0.00 7.41 0.00 -0.79 -5.04 105.19 106.05 3hl3 n GLY 244 Ca 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3hl3 n GLY 244 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48