#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2huz n ASP 4 N 0.00 1.32 -0.56 3.54 5.68 -1.26 -4.47 116.55 120.81 2huz n ASP 4 Ca 0.00 -2.40 0.11 0.00 -0.50 0.00 0.00 54.79 52.00 2huz n ASP 4 Cb 0.00 0.62 0.39 0.00 -1.14 0.00 0.00 41.12 40.99 2huz n ASP 4 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2huz n GLU 5 N -0.62 1.74 -1.85 0.11 -0.58 -1.26 -0.33 120.64 117.86 2huz n GLU 5 Ca -0.05 -1.11 -0.43 0.00 -0.42 0.00 0.00 57.16 55.16 2huz n GLU 5 Cb 0.40 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 2huz n GLU 5 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2huz s THR 6 N -1.81 3.31 0.56 2.62 2.01 -1.26 -4.83 115.64 116.24 2huz s THR 6 Ca 0.33 0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.49 2huz s THR 6 Cb 0.18 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 2huz s THR 6 CO 0.27 -0.16 1.11 -2.16 -0.69 0.00 0.00 174.62 173.00 2huz s PRO 7 N 5.28 3.32 0.32 4.92 0.04 -1.26 -4.20 135.00 143.42 2huz s PRO 7 Ca 0.85 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2huz s PRO 7 Cb -0.31 -2.01 0.52 0.00 0.04 0.00 0.00 34.50 32.75 2huz s PRO 7 CO 0.34 -0.86 1.95 1.98 0.04 0.00 0.00 177.00 180.46 2huz h MET 8 N 1.04 0.90 -4.76 4.56 4.05 -1.45 -3.45 114.93 115.81 2huz h MET 8 Ca -0.49 -0.09 -0.30 0.00 -0.28 0.00 0.00 59.70 58.54 2huz h MET 8 Cb 1.25 -0.19 -0.15 0.00 -0.80 0.00 0.00 31.60 31.72 2huz h MET 8 CO 0.57 0.65 -0.62 -0.59 0.23 0.00 0.00 176.91 177.14 2huz s PHE 9 N -5.64 1.35 -0.33 1.39 -0.12 -1.26 -4.71 117.98 108.66 2huz s PHE 9 Ca -0.10 -1.22 -0.29 0.00 -0.05 0.00 0.00 56.93 55.27 2huz s PHE 9 Cb 0.17 -0.75 -0.01 0.00 -0.63 0.00 0.00 43.02 41.79 2huz s PHE 9 CO 0.78 -0.42 1.72 0.34 -0.05 0.00 0.00 175.22 177.59 2huz s ASP 10 N -3.24 6.02 0.31 1.98 2.15 -1.26 -4.86 116.67 117.77 2huz s ASP 10 Ca 0.36 1.28 0.15 0.00 0.43 0.00 0.00 52.55 54.76 2huz s ASP 10 Cb 0.07 -2.53 0.79 0.00 -0.30 0.00 0.00 42.92 40.95 2huz s ASP 10 CO 0.11 -1.61 1.36 -2.65 -0.17 0.00 0.00 175.17 172.22 2huz n PRO 11 N 8.29 0.10 0.16 4.34 -0.02 -1.26 0.37 135.00 146.97 2huz n PRO 11 Ca 0.21 0.58 0.05 0.00 -2.02 0.00 0.00 63.50 62.32 2huz n PRO 11 Cb 0.47 -2.04 0.50 0.00 -0.02 0.00 0.00 33.50 32.41 2huz n PRO 11 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2huz h SER 12 N 0.00 0.17 -0.19 2.55 0.02 -1.99 -2.67 113.55 111.45 2huz h SER 12 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2huz h SER 12 Cb 0.45 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2huz h SER 12 CO 0.00 0.21 0.11 -0.07 -1.14 0.00 0.00 176.83 175.93 2huz h LEU 13 N 0.19 0.25 0.13 5.07 3.38 -0.47 -0.92 115.31 122.93 2huz h LEU 13 Ca 0.05 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2huz h LEU 13 Cb 0.13 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.83 2huz h LEU 13 CO 0.00 0.21 -0.87 -0.07 0.09 0.00 0.00 178.44 177.80 2huz h LEU 14 N 0.29 0.42 -0.37 1.67 3.38 -1.65 -3.28 115.31 115.76 2huz h LEU 14 Ca 0.08 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2huz h LEU 14 Cb 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2huz h LEU 14 CO -0.01 1.41 0.00 2.29 0.09 0.00 0.00 178.44 182.22 2huz n LYS 15 N -4.13 0.18 -0.29 1.13 2.85 -1.01 -2.31 118.16 114.58 2huz n LYS 15 Ca -0.16 0.31 0.12 0.00 -1.05 0.00 0.00 58.31 57.53 2huz n LYS 15 Cb 0.81 -1.79 0.27 0.00 -0.65 0.00 0.00 35.03 33.68 2huz n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2huz n GLU 16 N -2.11 2.63 -2.40 -1.58 1.02 -0.38 -4.93 120.64 112.88 2huz n GLU 16 Ca 0.04 -2.49 -0.42 0.00 -0.02 0.00 0.00 57.16 54.27 2huz n GLU 16 Cb 0.29 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2huz n GLU 16 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2huz s VAL 17 N -1.19 3.86 -0.85 2.62 1.01 -0.98 -4.94 120.40 119.93 2huz s VAL 17 Ca 0.44 1.41 -0.25 0.00 0.00 0.00 0.00 61.98 63.57 2huz s VAL 17 Cb 0.24 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2huz s VAL 17 CO 0.32 0.15 1.63 -0.62 0.00 0.00 0.00 175.10 176.58 2huz s ASP 18 N 0.74 5.82 0.55 3.32 2.15 -1.26 -4.84 116.67 123.14 2huz s ASP 18 Ca 0.57 -0.69 0.33 0.00 0.43 0.00 0.00 52.55 53.19 2huz s ASP 18 Cb -0.31 -2.56 1.55 0.00 -0.30 0.00 0.00 42.92 41.31 2huz s ASP 18 CO 0.32 -2.09 2.07 -0.25 -0.17 0.00 0.00 175.17 175.05 2huz h TRP 19 N 11.23 0.00 -0.16 -5.34 2.91 -1.96 -0.98 115.95 121.65 2huz h TRP 19 Ca -0.02 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.05 2huz h TRP 19 Cb 1.05 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.69 2huz h TRP 19 CO 1.19 0.06 0.28 0.66 -1.03 0.00 0.00 178.44 179.60 2huz h SER 20 N 0.00 0.00 -0.02 2.65 4.64 -2.03 -1.60 113.55 117.18 2huz h SER 20 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2huz h SER 20 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2huz h SER 20 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2huz n GLN 21 N -3.43 1.59 -2.24 4.77 6.02 -0.37 -4.87 117.38 118.84 2huz n GLN 21 Ca 0.01 -0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 55.73 2huz n GLN 21 Cb 0.38 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 2huz n GLN 21 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2huz s ASN 22 N -1.97 6.90 -0.09 1.08 2.47 -0.60 -4.94 114.94 117.78 2huz s ASN 22 Ca 0.39 2.24 0.14 0.00 0.42 0.00 0.00 52.86 56.04 2huz s ASN 22 Cb 0.21 -2.59 0.41 0.00 -1.45 0.00 0.00 41.25 37.84 2huz s ASN 22 CO 0.33 -0.59 1.33 0.35 -3.72 0.00 0.00 177.10 174.80 2huz n THR 23 N 3.88 1.68 -4.17 -5.21 -2.24 -1.26 -5.01 114.28 101.95 2huz n THR 23 Ca 0.10 -1.48 -0.29 0.00 -2.27 0.00 0.00 64.05 60.12 2huz n THR 23 Cb 0.43 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.68 2huz n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2huz s ALA 24 N -1.98 3.18 -0.44 6.98 0.00 -1.20 -4.71 121.76 123.60 2huz s ALA 24 Ca 0.32 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 2huz s ALA 24 Cb 0.23 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2huz s ALA 24 CO 0.11 0.62 1.08 0.99 0.00 0.00 0.00 175.76 178.57 2huz s THR 25 N -1.42 4.32 -0.14 0.00 2.01 -1.26 -5.02 115.64 114.14 2huz s THR 25 Ca 0.25 1.25 -0.06 0.00 0.31 0.00 0.00 61.69 63.44 2huz s THR 25 Cb -0.11 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 2huz s THR 25 CO 0.17 -0.86 0.06 -0.36 -0.69 0.00 0.00 174.62 172.95 2huz s PHE 26 N 4.15 3.31 -0.34 4.92 0.40 -1.26 -5.07 117.98 124.09 2huz s PHE 26 Ca 0.45 0.23 0.06 0.00 -0.60 0.00 0.00 56.93 57.07 2huz s PHE 26 Cb -0.09 -1.95 0.19 0.00 0.51 0.00 0.00 43.02 41.68 2huz s PHE 26 CO 0.27 0.41 0.63 0.45 0.70 0.00 0.00 175.22 177.68 2huz s SER 27 N -0.39 -1.52 0.69 1.36 0.15 -1.26 -3.32 113.70 109.40 2huz s SER 27 Ca 0.09 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.35 2huz s SER 27 Cb -0.12 1.94 0.02 0.00 -1.71 0.00 0.00 66.02 66.15 2huz s SER 27 CO 0.02 -0.23 1.14 -2.16 1.20 0.00 0.00 173.24 173.21 2huz s PRO 28 N 2.39 2.54 -0.47 5.44 0.04 -1.26 -5.05 135.00 138.63 2huz s PRO 28 Ca 0.13 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 2huz s PRO 28 Cb -0.07 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 2huz s PRO 28 CO -0.17 -1.47 2.40 0.00 0.04 0.00 0.00 177.00 177.79 2huz n ALA 29 N -2.57 0.93 -2.07 8.56 0.00 -1.21 -4.96 120.51 119.19 2huz n ALA 29 Ca 0.11 -0.77 -0.21 0.00 0.00 0.00 0.00 53.44 52.58 2huz n ALA 29 Cb 0.51 -3.09 0.06 0.00 0.00 0.00 0.00 19.45 16.93 2huz n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2huz s ILE 30 N 11.29 2.01 0.28 0.00 -4.36 -1.26 -5.10 121.20 124.06 2huz s ILE 30 Ca 1.01 -1.05 -0.15 0.00 -0.26 0.00 0.00 60.65 60.20 2huz s ILE 30 Cb -0.28 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.38 2huz s ILE 30 CO 0.30 0.00 0.60 -0.94 0.24 0.00 0.00 174.94 175.13 2huz s SER 31 N -4.66 -0.07 0.21 4.36 1.04 -0.82 -4.98 113.70 108.78 2huz s SER 31 Ca 0.60 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 2huz s SER 31 Cb -0.05 0.67 0.27 0.00 0.10 0.00 0.00 66.02 67.01 2huz s SER 31 CO 0.38 -1.29 1.78 -0.65 0.98 0.00 0.00 173.24 174.45 2huz h PRO 32 N 2.13 0.57 -0.51 4.02 0.11 -1.93 -1.81 132.00 134.58 2huz h PRO 32 Ca -0.24 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 2huz h PRO 32 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2huz h PRO 32 CO 0.32 0.38 0.13 1.15 -0.21 0.00 0.00 178.00 179.76 2huz h THR 33 N 0.59 1.21 -2.44 -1.15 2.02 -1.93 -3.36 112.91 107.85 2huz h THR 33 Ca 0.31 -0.77 -0.60 0.00 0.77 0.00 0.00 66.41 66.13 2huz h THR 33 Cb 0.28 0.69 -0.40 0.00 -1.74 0.00 0.00 68.15 66.97 2huz h THR 33 CO -0.23 0.28 -0.78 1.41 0.37 0.00 0.00 175.52 176.57 2huz n HIS 34 N -4.29 1.69 0.26 3.16 8.25 -1.05 -4.95 115.22 118.29 2huz n HIS 34 Ca 0.04 -3.89 0.11 0.00 -0.26 0.00 0.00 57.72 53.71 2huz n HIS 34 Cb 0.21 -0.35 0.71 0.00 1.12 0.00 0.00 29.99 31.68 2huz n HIS 34 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2huz h PRO 35 N 4.80 0.00 0.00 -0.41 0.11 -1.48 -2.17 132.00 132.85 2huz h PRO 35 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2huz h PRO 35 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2huz h PRO 35 CO 0.62 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 2huz n GLY 36 N -1.11 4.09 3.65 -0.55 0.00 -1.26 -4.79 105.19 105.23 2huz n GLY 36 Ca -0.03 -1.45 -0.53 0.00 0.00 0.00 0.00 46.02 44.02 2huz n GLY 36 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2huz n GLU 37 N -1.86 1.39 -1.20 1.61 2.13 -1.26 -1.43 120.64 120.01 2huz n GLU 37 Ca 0.00 0.50 -0.07 0.00 0.66 0.00 0.00 57.16 58.25 2huz n GLU 37 Cb 0.00 -2.20 -0.03 0.00 0.27 0.00 0.00 31.44 29.48 2huz n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2huz n GLY 38 N 3.41 0.89 3.43 8.31 0.00 -1.26 -5.00 105.19 114.98 2huz n GLY 38 Ca 0.21 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2huz n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2huz s LEU 39 N -1.59 2.52 -0.09 0.99 1.43 -0.51 -0.78 118.68 120.65 2huz s LEU 39 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2huz s LEU 39 Cb 0.00 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.77 2huz s LEU 39 CO 0.00 0.27 -0.06 -0.69 0.23 0.00 0.00 176.35 176.10 2huz s VAL 40 N -0.85 0.83 -0.25 -1.59 1.01 -0.79 -4.51 120.40 114.25 2huz s VAL 40 Ca 0.13 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2huz s VAL 40 Cb -0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2huz s VAL 40 CO 0.04 0.32 0.53 -0.22 0.00 0.00 0.00 175.10 175.77 2huz s LEU 41 N 1.47 4.06 0.29 3.92 2.96 -1.26 -1.21 118.68 128.91 2huz s LEU 41 Ca -0.01 0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 2huz s LEU 41 Cb -0.13 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.87 2huz s LEU 41 CO -0.04 -0.29 0.55 0.00 -1.32 0.00 0.00 176.35 175.25 2huz s ARG 42 N 2.27 1.75 0.78 1.98 1.70 -0.38 -4.97 118.95 122.07 2huz s ARG 42 Ca 0.22 -1.35 -0.11 0.00 -0.47 0.00 0.00 55.73 54.02 2huz s ARG 42 Cb -0.16 0.50 0.06 0.00 -0.57 0.00 0.00 34.95 34.79 2huz s ARG 42 CO 0.09 -0.75 1.09 -2.14 -1.08 0.00 0.00 175.30 172.51 2huz s PRO 43 N -3.57 2.22 0.47 3.89 0.02 -1.26 -0.12 135.00 136.63 2huz s PRO 43 Ca 0.22 1.08 -0.23 0.00 0.02 0.00 0.00 61.00 62.09 2huz s PRO 43 Cb -0.02 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 2huz s PRO 43 CO 0.11 -1.65 1.17 -1.17 -0.33 0.00 0.00 177.00 175.14 2huz s LEU 44 N -5.90 3.99 0.00 -5.54 2.96 0.25 -4.65 118.68 109.79 2huz s LEU 44 Ca 0.61 2.31 0.05 0.00 -0.22 0.00 0.00 54.13 56.87 2huz s LEU 44 Cb -0.17 -4.26 -0.02 0.00 0.50 0.00 0.00 46.19 42.24 2huz s LEU 44 CO 0.56 -0.94 0.18 0.00 -1.32 0.00 0.00 176.35 174.83 2huz h THR 46 N 1.78 1.37 0.00 0.00 1.35 -1.57 -2.97 112.91 112.88 2huz h THR 46 Ca -0.31 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2huz h THR 46 Cb 1.25 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 2huz h THR 46 CO 0.48 0.57 0.00 0.00 -0.25 0.00 0.00 175.52 176.32 2huz h ALA 47 N 1.19 1.00 0.00 6.62 0.00 -0.90 -2.74 119.26 124.43 2huz h ALA 47 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2huz h ALA 47 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2huz h ALA 47 CO 0.09 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.90 2huz h ASP 48 N 0.00 0.00 -0.70 0.00 3.32 -1.79 -2.15 116.42 115.10 2huz h ASP 48 Ca 0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 2huz h ASP 48 Cb 0.20 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.62 2huz h ASP 48 CO 0.00 0.00 -0.20 0.25 -1.72 0.00 0.00 179.24 177.57 2huz h LEU 49 N 0.00 -0.73 -0.44 1.55 5.85 -1.69 -0.25 115.31 119.59 2huz h LEU 49 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2huz h LEU 49 Cb 0.22 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2huz h LEU 49 CO 0.00 -0.25 0.00 0.59 -0.34 0.00 0.00 178.44 178.44 2huz n ASN 50 N -5.47 0.56 -0.67 1.25 5.03 -0.81 -4.00 115.26 111.15 2huz n ASN 50 Ca 0.09 -2.02 0.04 0.00 0.87 0.00 0.00 54.58 53.56 2huz n ASN 50 Cb 0.36 -0.15 0.20 0.00 -1.02 0.00 0.00 39.78 39.18 2huz n ASN 50 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2huz n ARG 51 N -0.24 1.66 -3.02 3.52 1.74 -0.11 -4.95 116.66 115.25 2huz n ARG 51 Ca 0.02 -3.16 -0.19 0.00 -0.77 0.00 0.00 57.85 53.75 2huz n ARG 51 Cb 0.11 -1.66 0.04 0.00 -1.02 0.00 0.00 32.46 29.93 2huz n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2huz n GLY 52 N -1.14 -0.34 0.21 -0.13 0.00 -1.25 0.42 105.19 102.96 2huz n GLY 52 Ca 0.22 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 2huz n GLY 52 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2huz h PHE 53 N -1.44 0.87 0.00 1.61 3.57 -1.74 -2.92 116.94 116.89 2huz h PHE 53 Ca -0.46 -0.31 -0.15 0.00 3.53 0.00 0.00 57.97 60.58 2huz h PHE 53 Cb 1.31 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2huz h PHE 53 CO 0.44 1.08 -0.72 0.74 -2.23 0.00 0.00 178.31 177.62 2huz h PHE 54 N 0.41 0.00 0.00 0.41 0.04 -1.86 -1.89 116.94 114.05 2huz h PHE 54 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2huz h PHE 54 Cb 1.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 2huz h PHE 54 CO 0.08 0.72 -0.01 -0.22 -0.60 0.00 0.00 178.31 178.29 2huz h LYS 55 N 0.00 0.00 0.11 1.51 3.64 -1.95 0.93 116.57 120.81 2huz h LYS 55 Ca -0.01 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 2huz h LYS 55 Cb 1.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2huz h LYS 55 CO 0.09 0.01 -1.87 0.28 -2.27 0.00 0.00 179.45 175.69 2huz h VAL 56 N 0.00 0.68 0.57 2.00 2.07 -1.28 -3.25 116.25 117.05 2huz h VAL 56 Ca -0.00 -2.32 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 2huz h VAL 56 Cb 0.27 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2huz h VAL 56 CO 0.00 0.81 -0.27 -0.07 0.02 0.00 0.00 177.57 178.06 2huz h LEU 57 N -0.09 -0.65 -1.70 2.57 3.38 -1.12 -3.19 115.31 114.50 2huz h LEU 57 Ca -0.41 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.64 2huz h LEU 57 Cb 1.93 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.83 2huz h LEU 57 CO 0.05 -0.34 0.58 1.23 0.09 0.00 0.00 178.44 180.05 2huz h GLY 58 N -0.95 0.00 0.94 0.83 0.00 0.72 0.45 103.07 105.05 2huz h GLY 58 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.28 2huz h GLY 58 CO 0.13 0.00 0.63 1.46 0.00 0.00 0.00 176.54 178.76 2huz h GLN 59 N 0.00 1.21 -0.25 4.80 4.20 -1.58 -2.59 115.11 120.90 2huz h GLN 59 Ca 0.19 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 2huz h GLN 59 Cb 1.35 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 2huz h GLN 59 CO -0.00 0.80 -0.43 1.25 -0.67 0.00 0.00 178.83 179.78 2huz h LEU 60 N 1.25 0.65 -6.48 1.46 5.85 -0.23 -3.45 115.31 114.35 2huz h LEU 60 Ca 0.37 -0.30 0.18 0.00 0.84 0.00 0.00 57.88 58.97 2huz h LEU 60 Cb -0.07 -0.18 -0.24 0.00 0.37 0.00 0.00 40.66 40.54 2huz h LEU 60 CO -0.10 0.99 0.24 0.28 -0.34 0.00 0.00 178.44 179.52 2huz s THR 61 N -4.22 -0.47 -0.63 1.05 -1.32 -0.98 -5.12 115.64 103.95 2huz s THR 61 Ca -0.08 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.14 2huz s THR 61 Cb 0.12 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 70.00 2huz s THR 61 CO 0.83 0.00 2.46 -1.84 -2.21 0.00 0.00 174.62 173.87 2huz n GLU 62 N 4.93 0.77 -1.04 7.08 -0.00 -1.20 -4.32 120.64 126.86 2huz n GLU 62 Ca -0.09 -0.10 -0.29 0.00 -0.00 0.00 0.00 57.16 56.68 2huz n GLU 62 Cb 0.53 -3.07 0.22 0.00 -0.00 0.00 0.00 31.44 29.12 2huz n GLU 62 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2huz s THR 63 N 11.65 1.80 0.08 3.84 -4.23 -1.26 -5.06 115.64 122.46 2huz s THR 63 Ca 1.05 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.51 2huz s THR 63 Cb -0.38 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 2huz s THR 63 CO 0.29 0.00 0.32 -0.83 -0.54 0.00 0.00 174.62 173.86 2huz s GLY 64 N -3.54 2.24 -0.45 3.99 0.00 -1.26 -4.99 107.32 103.30 2huz s GLY 64 Ca 0.68 -0.59 -0.16 0.00 0.00 0.00 0.00 44.72 44.64 2huz s GLY 64 CO 0.58 -0.48 1.29 1.55 0.00 0.00 0.00 173.10 176.03 2huz n VAL 65 N 0.51 0.00 -2.83 1.40 3.14 -1.26 -4.87 118.33 114.42 2huz n VAL 65 Ca -0.06 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.91 2huz n VAL 65 Cb 0.52 -0.25 -0.04 0.00 -1.06 0.00 0.00 33.84 33.02 2huz n VAL 65 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2huz s VAL 66 N 4.20 4.91 0.47 1.55 1.01 -1.26 -5.04 120.40 126.23 2huz s VAL 66 Ca 0.66 1.83 -0.21 0.00 0.00 0.00 0.00 61.98 64.25 2huz s VAL 66 Cb -0.64 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.44 2huz s VAL 66 CO 0.26 0.14 1.05 -0.94 0.00 0.00 0.00 175.10 175.60 2huz s SER 67 N 0.99 6.39 0.28 3.32 1.04 -1.26 -4.91 113.70 119.55 2huz s SER 67 Ca 0.45 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.86 2huz s SER 67 Cb -0.19 -2.57 0.66 0.00 0.10 0.00 0.00 66.02 64.03 2huz s SER 67 CO 0.21 -0.75 1.63 -0.65 0.98 0.00 0.00 173.24 174.66 2huz h PRO 68 N 1.74 0.13 0.04 4.02 0.11 -1.99 -1.29 132.00 134.77 2huz h PRO 68 Ca -0.49 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2huz h PRO 68 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2huz h PRO 68 CO 0.60 0.09 -0.08 0.93 -0.21 0.00 0.00 178.00 179.32 2huz h GLU 69 N 0.13 -0.16 -0.97 1.05 4.39 -2.00 -2.24 114.58 114.79 2huz h GLU 69 Ca 0.53 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.34 2huz h GLU 69 Cb 1.06 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.67 2huz h GLU 69 CO -0.72 -0.11 0.61 0.37 -1.16 0.00 0.00 179.01 178.00 2huz h GLN 70 N -0.16 0.99 -0.12 2.33 5.75 -1.83 -2.14 115.11 119.93 2huz h GLN 70 Ca 0.02 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2huz h GLN 70 Cb 0.18 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2huz h GLN 70 CO -0.05 0.66 0.06 0.35 -2.65 0.00 0.00 178.83 177.20 2huz h PHE 71 N 1.02 0.17 -0.07 3.99 3.57 -1.00 -2.02 116.94 122.62 2huz h PHE 71 Ca 0.45 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.85 2huz h PHE 71 Cb 0.34 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2huz h PHE 71 CO -0.01 0.21 -0.42 0.52 -2.23 0.00 0.00 178.31 176.38 2huz h MET 72 N 0.08 0.15 0.24 1.11 2.86 -1.12 0.20 114.93 118.45 2huz h MET 72 Ca 0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2huz h MET 72 Cb 0.10 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2huz h MET 72 CO -0.01 0.55 -0.11 -0.22 1.06 0.00 0.00 176.91 178.18 2huz h LYS 73 N 0.12 -0.31 -0.27 1.72 3.64 -1.32 0.66 116.57 120.81 2huz h LYS 73 Ca 0.01 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2huz h LYS 73 Cb 0.80 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.62 2huz h LYS 73 CO 0.06 0.01 -0.20 0.77 -2.27 0.00 0.00 179.45 177.82 2huz h SER 74 N -0.65 -0.66 -0.23 4.20 0.02 -1.16 -1.61 113.55 113.45 2huz h SER 74 Ca -0.03 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 2huz h SER 74 Cb 0.46 0.33 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 2huz h SER 74 CO 0.05 -0.24 -0.17 0.15 -1.14 0.00 0.00 176.83 175.48 2huz h PHE 75 N -0.19 -0.44 -0.41 3.45 3.57 -0.58 -1.78 116.94 120.56 2huz h PHE 75 Ca 0.15 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 2huz h PHE 75 Cb 0.41 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2huz h PHE 75 CO -0.38 -0.25 -0.04 0.93 -2.23 0.00 0.00 178.31 176.35 2huz h GLU 76 N -0.17 0.75 -0.18 1.11 4.39 -0.41 0.22 114.58 120.28 2huz h GLU 76 Ca 0.13 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2huz h GLU 76 Cb 0.37 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2huz h GLU 76 CO -0.34 0.85 0.03 1.25 -1.16 0.00 0.00 179.01 179.65 2huz h HIS 77 N 0.57 0.06 -0.57 4.33 2.76 -1.25 0.24 115.15 121.30 2huz h HIS 77 Ca 0.11 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2huz h HIS 77 Cb 0.54 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 2huz h HIS 77 CO 0.04 0.02 0.33 0.52 -1.30 0.00 0.00 177.93 177.54 2huz h MET 78 N 0.11 0.77 0.08 5.26 2.86 -1.08 -1.28 114.93 121.64 2huz h MET 78 Ca 0.08 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2huz h MET 78 Cb 0.08 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2huz h MET 78 CO -0.11 0.55 -0.04 -0.22 1.06 0.00 0.00 176.91 178.15 2huz h LYS 79 N 0.78 -0.10 -0.17 1.72 3.64 0.09 -3.24 116.57 119.29 2huz h LYS 79 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2huz h LYS 79 Cb -0.01 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2huz h LYS 79 CO -0.04 0.44 0.00 0.36 -2.27 0.00 0.00 179.45 177.94 2huz n LYS 80 N -4.85 1.72 -0.06 1.90 2.85 0.01 -2.74 118.16 116.99 2huz n LYS 80 Ca -0.08 -1.08 -0.14 0.00 -1.05 0.00 0.00 58.31 55.95 2huz n LYS 80 Cb 0.29 -1.39 -0.06 0.00 -0.65 0.00 0.00 35.03 33.22 2huz n LYS 80 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2huz h SER 81 N 2.17 0.64 0.00 -5.58 4.64 -1.26 -3.48 113.55 110.67 2huz h SER 81 Ca 0.00 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2huz h SER 81 Cb 0.48 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2huz h SER 81 CO 0.00 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 2huz n GLY 82 N 0.39 0.75 0.36 -0.77 0.00 -1.11 -4.92 105.19 99.89 2huz n GLY 82 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2huz n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2huz n ASP 83 N 0.00 1.62 -4.28 1.61 8.00 -1.26 -4.91 116.55 117.33 2huz n ASP 83 Ca 0.00 -1.31 -0.32 0.00 0.71 0.00 0.00 54.79 53.87 2huz n ASP 83 Cb 0.00 0.24 -0.16 0.00 -0.02 0.00 0.00 41.12 41.18 2huz n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2huz s TYR 84 N -1.21 2.66 -0.66 1.24 2.02 -1.25 0.15 117.35 120.30 2huz s TYR 84 Ca 0.11 -0.88 0.05 0.00 -0.37 0.00 0.00 57.07 55.98 2huz s TYR 84 Cb 0.09 -1.76 0.19 0.00 -0.40 0.00 0.00 41.96 40.09 2huz s TYR 84 CO 0.21 -0.33 0.56 0.66 -1.57 0.00 0.00 175.55 175.08 2huz n TYR 85 N 3.51 2.96 -2.61 2.71 4.01 0.15 -4.78 117.16 123.11 2huz n TYR 85 Ca -0.19 -4.18 -0.43 0.00 -0.16 0.00 0.00 57.90 52.95 2huz n TYR 85 Cb 0.53 -0.54 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 2huz n TYR 85 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2huz s VAL 86 N -1.65 4.18 -0.02 -0.72 1.01 -1.26 -1.43 120.40 120.51 2huz s VAL 86 Ca 0.30 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.41 2huz s VAL 86 Cb 0.03 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 2huz s VAL 86 CO -0.13 -1.07 -0.03 -0.89 0.00 0.00 0.00 175.10 172.98 2huz s THR 87 N 4.51 3.96 0.06 3.92 2.01 0.62 -0.58 115.64 130.13 2huz s THR 87 Ca 0.46 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.92 2huz s THR 87 Cb -0.07 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2huz s THR 87 CO 0.30 0.45 -0.11 0.68 -0.69 0.00 0.00 174.62 175.25 2huz s VAL 88 N -0.99 0.83 -0.17 3.82 -7.23 0.82 -0.72 120.40 116.77 2huz s VAL 88 Ca 0.17 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2huz s VAL 88 Cb -0.11 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 2huz s VAL 88 CO 0.07 -0.30 0.02 -0.69 -0.31 0.00 0.00 175.10 173.88 2huz s VAL 89 N -1.33 4.36 -0.13 1.32 1.01 -0.05 -1.25 120.40 124.33 2huz s VAL 89 Ca -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2huz s VAL 89 Cb -0.10 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2huz s VAL 89 CO 0.01 0.47 -0.06 -0.70 0.00 0.00 0.00 175.10 174.82 2huz s GLU 90 N 0.38 3.39 -0.52 2.72 2.12 -0.35 -0.33 118.70 126.11 2huz s GLU 90 Ca -0.00 -0.56 -0.24 0.00 0.36 0.00 0.00 54.97 54.53 2huz s GLU 90 Cb -0.13 -2.78 0.04 0.00 0.26 0.00 0.00 34.13 31.52 2huz s GLU 90 CO 0.01 0.34 0.89 0.34 -0.54 0.00 0.00 175.26 176.30 2huz s ASP 91 N 0.06 6.36 0.28 -1.70 -1.08 -0.17 -1.88 116.67 118.55 2huz s ASP 91 Ca -0.01 -0.29 0.06 0.00 -0.52 0.00 0.00 52.55 51.78 2huz s ASP 91 Cb -0.14 -2.42 0.41 0.00 -1.46 0.00 0.00 42.92 39.32 2huz s ASP 91 CO 0.03 -1.12 1.67 0.58 0.52 0.00 0.00 175.17 176.85 2huz h VAL 92 N 6.01 1.33 -0.15 1.11 2.07 -1.23 0.79 116.25 126.18 2huz h VAL 92 Ca -0.26 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 65.56 2huz h VAL 92 Cb 1.08 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2huz h VAL 92 CO 1.05 0.49 -0.17 0.71 0.02 0.00 0.00 177.57 179.67 2huz h THR 93 N 0.18 1.20 0.00 2.57 1.35 -1.92 -2.91 112.91 113.38 2huz h THR 93 Ca 0.01 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2huz h THR 93 Cb 0.89 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2huz h THR 93 CO 0.07 0.27 -1.57 0.00 -0.25 0.00 0.00 175.52 174.05 2huz n LEU 94 N -4.24 0.21 -1.02 3.87 -0.00 -1.11 -5.00 117.00 109.70 2huz n LEU 94 Ca -0.01 -0.13 -0.10 0.00 -0.00 0.00 0.00 56.01 55.78 2huz n LEU 94 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.70 2huz n LEU 94 CO 0.38 0.05 -0.12 0.61 -0.00 0.00 0.00 177.39 178.32 2huz n GLY 95 N 1.46 0.25 3.51 1.47 0.00 0.27 -5.03 105.19 107.12 2huz n GLY 95 Ca -0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2huz n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2huz s GLN 96 N -4.08 1.83 0.21 1.61 -1.52 -0.85 -4.75 119.66 112.12 2huz s GLN 96 Ca 0.00 -1.34 -0.30 0.00 -1.95 0.00 0.00 55.36 51.77 2huz s GLN 96 Cb 0.00 -2.04 -0.08 0.00 -0.22 0.00 0.00 33.01 30.66 2huz s GLN 96 CO 0.00 0.43 0.99 0.42 -0.25 0.00 0.00 175.29 176.88 2huz s ILE 97 N -1.61 4.04 0.00 1.08 -1.09 0.17 -1.00 121.20 122.78 2huz s ILE 97 Ca 0.22 1.93 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 2huz s ILE 97 Cb -0.09 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 2huz s ILE 97 CO 0.13 0.41 0.35 1.33 -1.23 0.00 0.00 174.94 175.93 2huz n VAL 98 N 1.82 0.00 -3.56 2.92 0.24 0.55 -4.82 118.33 115.48 2huz n VAL 98 Ca -0.00 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 2huz n VAL 98 Cb 0.47 1.18 -0.05 0.00 -1.47 0.00 0.00 33.84 33.97 2huz n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2huz s ALA 99 N -0.10 -1.89 -0.04 2.33 0.00 -1.20 -1.16 121.76 119.69 2huz s ALA 99 Ca 0.00 1.44 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 2huz s ALA 99 Cb 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.75 2huz s ALA 99 CO 0.00 -0.40 0.35 -0.08 0.00 0.00 0.00 175.76 175.64 2huz s THR 100 N -1.54 0.04 -0.07 0.00 -1.32 0.10 -0.88 115.64 111.97 2huz s THR 100 Ca -0.01 -0.34 -0.24 0.00 -1.21 0.00 0.00 61.69 59.88 2huz s THR 100 Cb -0.01 -0.63 0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2huz s THR 100 CO 0.00 -0.19 0.56 0.00 -2.21 0.00 0.00 174.62 172.78 2huz s ALA 101 N -1.00 -1.43 -0.06 11.08 0.00 0.10 -0.21 121.76 130.24 2huz s ALA 101 Ca -0.11 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.01 2huz s ALA 101 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2huz s ALA 101 CO 0.04 -0.32 -0.24 0.99 0.00 0.00 0.00 175.76 176.23 2huz s THR 102 N -0.94 2.00 -0.21 0.00 2.01 -0.16 -0.28 115.64 118.07 2huz s THR 102 Ca -0.10 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 2huz s THR 102 Cb -0.02 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 2huz s THR 102 CO 0.07 0.56 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.27 2huz s LEU 103 N -0.10 2.80 -0.18 4.42 2.96 -0.52 -0.56 118.68 127.50 2huz s LEU 103 Ca -0.05 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 2huz s LEU 103 Cb -0.14 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2huz s LEU 103 CO 0.04 -0.00 0.02 -0.63 -1.32 0.00 0.00 176.35 174.46 2huz s ILE 104 N 1.35 4.34 -0.22 6.68 1.01 -0.10 0.31 121.20 134.57 2huz s ILE 104 Ca 0.04 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 2huz s ILE 104 Cb -0.14 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 2huz s ILE 104 CO -0.04 0.46 0.63 -0.63 0.00 0.00 0.00 174.94 175.36 2huz s ILE 105 N 0.56 5.01 -0.08 2.92 -1.09 0.12 -0.61 121.20 128.02 2huz s ILE 105 Ca 0.01 1.17 -0.03 0.00 -2.23 0.00 0.00 60.65 59.57 2huz s ILE 105 Cb -0.14 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2huz s ILE 105 CO 0.02 0.08 0.05 -0.70 -1.23 0.00 0.00 174.94 173.16 2huz s GLU 106 N 2.12 3.10 -0.10 2.79 2.12 0.11 -4.80 118.70 124.03 2huz s GLU 106 Ca 0.28 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.22 2huz s GLU 106 Cb -0.16 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 2huz s GLU 106 CO 0.10 0.71 0.02 -1.01 -0.54 0.00 0.00 175.26 174.54 2huz s HIS 107 N -0.98 3.22 0.30 5.30 3.76 -1.26 -1.61 115.29 124.02 2huz s HIS 107 Ca 0.15 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.31 2huz s HIS 107 Cb -0.12 -1.83 -0.06 0.00 1.11 0.00 0.00 32.58 31.69 2huz s HIS 107 CO 0.05 0.47 0.08 0.15 -0.85 0.00 0.00 174.74 174.64 2huz s LYS 108 N -0.79 1.55 -0.18 1.40 -0.14 -0.33 -4.99 119.74 116.25 2huz s LYS 108 Ca 0.12 -1.85 0.13 0.00 -1.36 0.00 0.00 55.97 53.01 2huz s LYS 108 Cb -0.12 -0.57 -0.20 0.00 -1.68 0.00 0.00 37.83 35.26 2huz s LYS 108 CO 0.02 -0.25 0.01 1.19 -0.76 0.00 0.00 175.35 175.57 2huz n PHE 109 N -0.59 0.00 -1.07 3.18 3.72 -1.26 -3.32 117.46 118.12 2huz n PHE 109 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 2huz n PHE 109 Cb 0.66 -0.86 0.13 0.00 -0.94 0.00 0.00 39.48 38.47 2huz n PHE 109 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2huz s ILE 110 N -2.43 2.14 -1.26 4.37 -4.36 -1.26 -1.24 121.20 117.16 2huz s ILE 110 Ca -0.12 0.06 -0.00 0.00 -0.26 0.00 0.00 60.65 60.32 2huz s ILE 110 Cb 0.06 -2.40 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 2huz s ILE 110 CO 0.68 -0.05 0.81 1.41 0.24 0.00 0.00 174.94 178.03 2huz n HIS 111 N -3.45 -2.02 -3.33 1.37 8.25 -1.26 -2.40 115.22 112.38 2huz n HIS 111 Ca 0.13 0.87 -0.20 0.00 -0.26 0.00 0.00 57.72 58.26 2huz n HIS 111 Cb 0.51 -4.62 0.06 0.00 1.12 0.00 0.00 29.99 27.06 2huz n HIS 111 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2huz n SER 112 N -3.08 -5.58 -3.18 0.41 2.88 -1.25 -2.95 113.62 100.87 2huz n SER 112 Ca -0.29 -0.41 -0.16 0.00 -1.33 0.00 0.00 58.87 56.68 2huz n SER 112 Cb 0.67 -4.22 0.08 0.00 -0.75 0.00 0.00 64.21 59.99 2huz n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2huz s ALA 114 N -3.32 3.25 -0.14 0.00 0.00 -1.01 -4.67 121.76 115.87 2huz s ALA 114 Ca 0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2huz s ALA 114 Cb -0.01 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2huz s ALA 114 CO 0.65 -0.98 0.00 0.15 0.00 0.00 0.00 175.76 175.59 2huz s LYS 115 N -5.09 3.53 0.09 0.00 1.02 -1.26 -1.19 119.74 116.84 2huz s LYS 115 Ca 0.56 -0.43 0.08 0.00 0.02 0.00 0.00 55.97 56.20 2huz s LYS 115 Cb -0.11 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 2huz s LYS 115 CO 0.45 0.41 -0.18 -0.98 -0.92 0.00 0.00 175.35 174.13 2huz s ARG 116 N -0.05 1.88 0.25 1.68 1.04 -0.63 -0.05 118.95 123.06 2huz s ARG 116 Ca 0.03 -1.12 0.00 0.00 -1.04 0.00 0.00 55.73 53.61 2huz s ARG 116 Cb -0.13 -2.14 -0.04 0.00 -2.04 0.00 0.00 34.95 30.61 2huz s ARG 116 CO 0.02 0.50 0.44 0.20 -0.04 0.00 0.00 175.30 176.41 2huz s GLY 117 N -1.92 1.56 -0.04 3.88 0.00 -0.35 0.04 107.32 110.50 2huz s GLY 117 Ca 0.17 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2huz s GLY 117 CO 0.09 -0.87 -0.05 0.50 0.00 0.00 0.00 173.10 172.77 2huz s ARG 118 N -3.73 0.73 -0.29 2.90 0.52 0.21 -2.25 118.95 117.05 2huz s ARG 118 Ca 0.38 -0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 55.33 2huz s ARG 118 Cb -0.10 -0.74 -0.03 0.00 0.52 0.00 0.00 34.95 34.59 2huz s ARG 118 CO 0.31 -0.04 0.34 0.08 0.02 0.00 0.00 175.30 176.01 2huz s VAL 119 N 0.72 5.19 0.11 3.52 1.01 -0.74 -0.92 120.40 129.29 2huz s VAL 119 Ca -0.09 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.37 2huz s VAL 119 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2huz s VAL 119 CO 0.00 0.12 -0.18 -1.61 0.00 0.00 0.00 175.10 173.43 2huz s GLU 120 N 2.02 1.09 -1.16 2.72 0.41 0.27 -4.67 118.70 119.38 2huz s GLU 120 Ca 0.13 -1.19 -0.09 0.00 -0.41 0.00 0.00 54.97 53.41 2huz s GLU 120 Cb -0.16 -1.20 -0.03 0.00 -1.78 0.00 0.00 34.13 30.97 2huz s GLU 120 CO 0.10 0.26 0.82 -0.25 -0.49 0.00 0.00 175.26 175.71 2huz n ASP 121 N 0.85 -4.42 -4.50 -0.19 8.00 -1.26 -0.98 116.55 114.05 2huz n ASP 121 Ca -0.18 -0.84 -0.43 0.00 0.71 0.00 0.00 54.79 54.05 2huz n ASP 121 Cb 0.55 -4.25 -0.04 0.00 -0.02 0.00 0.00 41.12 37.35 2huz n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2huz s VAL 122 N -3.49 4.44 -0.00 2.53 1.01 -1.26 -3.64 120.40 119.98 2huz s VAL 122 Ca 0.31 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2huz s VAL 122 Cb -0.08 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 2huz s VAL 122 CO 0.80 -1.15 -0.12 0.54 0.00 0.00 0.00 175.10 175.18 2huz s VAL 123 N 3.80 0.91 -0.11 2.92 0.11 0.71 -5.00 120.40 123.73 2huz s VAL 123 Ca 0.26 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 2huz s VAL 123 Cb -0.14 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 2huz s VAL 123 CO 0.16 0.20 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.27 2huz s VAL 124 N -0.38 2.74 0.26 2.04 1.01 -1.26 0.00 120.40 124.81 2huz s VAL 124 Ca 0.04 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 2huz s VAL 124 Cb -0.05 -2.11 -0.16 0.00 0.00 0.00 0.00 36.38 34.06 2huz s VAL 124 CO -0.00 0.54 0.58 -0.24 0.00 0.00 0.00 175.10 175.98 2huz n SER 125 N 3.37 -0.86 0.32 3.32 2.88 -0.31 -4.93 113.62 117.41 2huz n SER 125 Ca -0.18 1.09 -0.19 0.00 -1.33 0.00 0.00 58.87 58.26 2huz n SER 125 Cb 0.53 -1.03 -0.10 0.00 -0.75 0.00 0.00 64.21 62.86 2huz n SER 125 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2huz h ASP 126 N 1.11 -1.35 -0.23 -3.46 2.03 -1.96 -2.75 116.42 109.81 2huz h ASP 126 Ca -0.32 0.10 -0.69 0.00 -0.73 0.00 0.00 57.03 55.39 2huz h ASP 126 Cb 1.42 0.43 -0.00 0.00 -0.83 0.00 0.00 39.33 40.35 2huz h ASP 126 CO 0.56 -0.68 3.55 -1.84 -1.03 0.00 0.00 179.24 179.80 2huz n GLU 127 N -5.58 3.85 -0.39 4.15 0.00 -1.26 -3.42 120.64 117.99 2huz n GLU 127 Ca -0.13 -2.47 -0.00 0.00 0.00 0.00 0.00 57.16 54.56 2huz n GLU 127 Cb 0.47 -2.79 -0.00 0.00 0.00 0.00 0.00 31.44 29.12 2huz n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2huz s ARG 129 N 0.00 1.42 -0.17 0.00 0.52 -1.22 -3.89 118.95 115.61 2huz s ARG 129 Ca 0.00 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 2huz s ARG 129 Cb 0.00 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.61 2huz s ARG 129 CO 0.00 -2.04 0.00 0.41 0.02 0.00 0.00 175.30 173.69 2huz n GLY 130 N -2.05 0.43 0.72 -3.53 0.00 -1.26 -4.85 105.19 94.65 2huz n GLY 130 Ca 0.07 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2huz n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2huz n LYS 131 N -1.53 1.78 -2.40 1.61 4.76 -1.25 -4.98 118.16 116.15 2huz n LYS 131 Ca -0.02 -1.49 -0.21 0.00 -2.87 0.00 0.00 58.31 53.73 2huz n LYS 131 Cb 0.23 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 2huz n LYS 131 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2huz n GLN 132 N 0.77 -1.69 0.19 1.97 6.02 -1.26 -4.88 117.38 118.50 2huz n GLN 132 Ca 0.11 1.01 0.12 0.00 -0.01 0.00 0.00 57.00 58.23 2huz n GLN 132 Cb 0.50 -5.68 0.14 0.00 1.02 0.00 0.00 30.24 26.22 2huz n GLN 132 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2huz h LEU 133 N 0.00 0.00 0.51 1.08 3.38 -1.93 -0.80 115.31 117.55 2huz h LEU 133 Ca -0.50 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2huz h LEU 133 Cb 1.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.12 2huz h LEU 133 CO 0.59 0.00 -0.25 1.23 0.09 0.00 0.00 178.44 180.10 2huz h GLY 134 N 4.03 -0.72 -0.16 0.83 0.00 -1.95 -0.25 103.07 104.85 2huz h GLY 134 Ca 0.00 0.27 0.17 0.00 0.00 0.00 0.00 47.33 47.77 2huz h GLY 134 CO 0.00 -0.26 0.17 0.50 0.00 0.00 0.00 176.54 176.95 2huz h LYS 135 N -0.98 0.24 -0.13 4.80 1.57 -1.97 -0.40 116.57 119.70 2huz h LYS 135 Ca -0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2huz h LYS 135 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2huz h LYS 135 CO 0.12 0.16 0.08 1.25 -0.57 0.00 0.00 179.45 180.48 2huz h LEU 136 N 0.25 0.15 -0.64 2.94 5.85 -1.12 -0.98 115.31 121.76 2huz h LEU 136 Ca 0.44 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 2huz h LEU 136 Cb 0.78 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2huz h LEU 136 CO -0.55 0.14 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.45 2huz h LEU 137 N 0.15 0.89 -0.37 2.25 3.38 -0.64 -1.44 115.31 119.53 2huz h LEU 137 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2huz h LEU 137 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2huz h LEU 137 CO -0.01 1.05 0.20 -0.07 0.09 0.00 0.00 178.44 179.70 2huz h LEU 138 N 0.78 0.46 0.22 1.67 -0.00 -0.85 0.83 115.31 118.43 2huz h LEU 138 Ca 0.11 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2huz h LEU 138 Cb 0.71 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2huz h LEU 138 CO 0.05 0.42 -0.11 -1.28 -0.00 0.00 0.00 178.44 177.53 2huz h SER 139 N 0.47 -0.26 -0.39 -0.43 0.87 -1.06 -0.37 113.55 112.38 2huz h SER 139 Ca 0.13 -0.25 0.08 0.00 -1.23 0.00 0.00 61.79 60.52 2huz h SER 139 Cb 0.06 0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 62.00 2huz h SER 139 CO -0.02 0.16 -0.30 0.74 -0.53 0.00 0.00 176.83 176.88 2huz h THR 140 N -0.73 0.27 -0.60 2.23 2.02 -1.17 0.77 112.91 115.69 2huz h THR 140 Ca -0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 2huz h THR 140 Cb 0.49 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2huz h THR 140 CO 0.05 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 176.08 2huz h LEU 141 N -0.23 0.86 0.25 2.58 3.38 -0.78 0.55 115.31 121.93 2huz h LEU 141 Ca 0.18 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2huz h LEU 141 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2huz h LEU 141 CO -0.52 0.83 -0.37 0.74 0.09 0.00 0.00 178.44 179.20 2huz h THR 142 N 0.85 0.00 0.00 0.22 2.02 -0.34 -2.23 112.91 113.44 2huz h THR 142 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 2huz h THR 142 Cb 0.26 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2huz h THR 142 CO -0.01 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.80 2huz h LEU 143 N -0.66 0.00 -1.07 2.58 3.38 -0.70 -1.00 115.31 117.84 2huz h LEU 143 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2huz h LEU 143 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2huz h LEU 143 CO -0.11 0.01 -0.25 0.25 0.09 0.00 0.00 178.44 178.43 2huz h LEU 144 N 0.00 0.35 -0.31 1.67 5.85 0.57 -2.59 115.31 120.85 2huz h LEU 144 Ca -0.00 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 2huz h LEU 144 Cb 0.02 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2huz h LEU 144 CO 0.00 0.61 -0.52 0.77 -0.34 0.00 0.00 178.44 178.95 2huz h SER 145 N 0.32 0.99 -0.33 1.25 4.64 -0.60 -0.27 113.55 119.54 2huz h SER 145 Ca 0.05 -0.52 0.06 0.00 -0.47 0.00 0.00 61.79 60.91 2huz h SER 145 Cb 0.61 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 2huz h SER 145 CO 0.04 1.32 0.00 0.50 -0.87 0.00 0.00 176.83 177.82 2huz h LYS 146 N 0.69 0.09 -0.87 4.77 3.64 -1.50 0.40 116.57 123.78 2huz h LYS 146 Ca 0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2huz h LYS 146 Cb 1.13 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 2huz h LYS 146 CO 0.12 0.06 0.58 -0.22 -2.27 0.00 0.00 179.45 177.72 2huz h LYS 147 N 0.09 1.15 0.00 1.90 3.64 -1.08 0.35 116.57 122.62 2huz h LYS 147 Ca 0.16 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2huz h LYS 147 Cb 0.21 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2huz h LYS 147 CO -0.27 0.77 0.00 1.28 -2.27 0.00 0.00 179.45 178.96 2huz n LEU 148 N -4.47 0.00 -2.37 5.20 4.77 -0.15 -4.86 117.00 115.13 2huz n LEU 148 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2huz n LEU 148 Cb 0.02 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2huz n LEU 148 CO 0.37 0.00 0.11 0.59 -1.33 0.00 0.00 177.39 177.13 2huz n ASN 149 N -0.77 -4.76 -4.77 -1.43 4.13 0.12 -4.99 115.26 102.80 2huz n ASN 149 Ca 0.09 -0.30 -0.40 0.00 1.68 0.00 0.00 54.58 55.64 2huz n ASN 149 Cb 0.04 -3.44 -0.02 0.00 -1.54 0.00 0.00 39.78 34.82 2huz n ASN 149 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2huz h TYR 151 N 3.36 0.39 -4.11 0.00 -0.00 -0.80 -3.43 116.97 112.38 2huz h TYR 151 Ca -0.49 -0.18 -0.21 0.00 0.00 0.00 0.00 58.73 57.85 2huz h TYR 151 Cb 1.23 -0.06 -0.10 0.00 0.00 0.00 0.00 36.73 37.80 2huz h TYR 151 CO 0.56 0.93 -0.27 -1.59 -0.00 0.00 0.00 178.16 177.79 2huz s LYS 152 N -3.51 1.64 -0.07 0.10 -2.85 -1.26 -5.08 119.74 108.71 2huz s LYS 152 Ca -0.04 -1.59 -0.06 0.00 -1.00 0.00 0.00 55.97 53.28 2huz s LYS 152 Cb 0.11 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 2huz s LYS 152 CO 0.82 -0.66 0.19 -1.50 0.10 0.00 0.00 175.35 174.30 2huz s ILE 153 N -3.61 -0.00 0.28 3.79 2.07 -1.26 -1.22 121.20 121.25 2huz s ILE 153 Ca 0.30 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.59 2huz s ILE 153 Cb 0.01 -0.27 -0.06 0.00 0.13 0.00 0.00 42.46 42.28 2huz s ILE 153 CO 0.15 0.01 0.06 0.42 -1.91 0.00 0.00 174.94 173.67 2huz s THR 154 N 0.22 0.89 0.12 4.00 -4.23 -0.95 -4.97 115.64 110.71 2huz s THR 154 Ca -0.01 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.24 2huz s THR 154 Cb -0.02 -2.64 0.07 0.00 1.34 0.00 0.00 72.50 71.25 2huz s THR 154 CO -0.01 -0.07 0.79 -1.48 -0.54 0.00 0.00 174.62 173.32 2huz s LEU 155 N -3.38 -0.37 -0.08 4.79 0.05 -1.26 -1.78 118.68 116.65 2huz s LEU 155 Ca 0.35 -0.17 -0.02 0.00 0.05 0.00 0.00 54.13 54.34 2huz s LEU 155 Cb 0.08 2.33 -0.03 0.00 -2.05 0.00 0.00 46.19 46.52 2huz s LEU 155 CO 0.13 -0.89 0.02 -1.61 -0.55 0.00 0.00 176.35 173.45 2huz s GLU 156 N -3.47 3.01 0.23 1.48 8.01 -1.26 -5.07 118.70 121.63 2huz s GLU 156 Ca 0.06 -0.40 -0.05 0.00 0.01 0.00 0.00 54.97 54.59 2huz s GLU 156 Cb -0.02 -2.82 -0.03 0.00 -4.31 0.00 0.00 34.13 26.95 2huz s GLU 156 CO -0.06 0.70 0.27 0.00 0.01 0.00 0.00 175.26 176.19 2huz s LEU 158 N -3.12 3.98 0.51 0.00 1.43 -1.26 -4.94 118.68 115.27 2huz s LEU 158 Ca 0.33 1.56 0.24 0.00 -1.03 0.00 0.00 54.13 55.22 2huz s LEU 158 Cb 0.04 -4.39 1.33 0.00 0.03 0.00 0.00 46.19 43.20 2huz s LEU 158 CO 0.12 -0.31 1.96 -0.65 0.23 0.00 0.00 176.35 177.70 2huz h PRO 159 N 2.03 0.10 0.00 1.29 0.11 -2.01 -0.73 132.00 132.78 2huz h PRO 159 Ca -0.49 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2huz h PRO 159 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2huz h PRO 159 CO 0.62 0.06 -0.30 1.96 -0.21 0.00 0.00 178.00 180.13 2huz h GLN 160 N 0.10 0.00 -0.61 1.05 7.50 -2.06 -2.33 115.11 118.75 2huz h GLN 160 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 2huz h GLN 160 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.61 2huz h GLN 160 CO -0.03 0.30 0.00 0.09 -1.50 0.00 0.00 178.83 177.69 2huz n ASN 161 N -3.99 3.68 -0.17 1.46 3.02 -0.33 -4.46 115.26 114.47 2huz n ASN 161 Ca -0.02 -1.99 0.17 0.00 -0.03 0.00 0.00 54.58 52.72 2huz n ASN 161 Cb 0.37 -0.41 0.53 0.00 -0.61 0.00 0.00 39.78 39.66 2huz n ASN 161 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2huz h VAL 162 N 3.86 0.75 -0.14 2.41 3.04 -0.88 -0.88 116.25 124.41 2huz h VAL 162 Ca 0.00 -0.12 -0.20 0.00 -1.01 0.00 0.00 66.70 65.36 2huz h VAL 162 Cb 0.94 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2huz h VAL 162 CO 0.00 0.07 -0.73 1.23 -1.01 0.00 0.00 177.57 177.13 2huz h GLY 163 N 0.36 0.70 0.24 3.17 0.00 -1.80 -3.24 103.07 102.51 2huz h GLY 163 Ca 0.39 -0.97 0.21 0.00 0.00 0.00 0.00 47.33 46.96 2huz h GLY 163 CO -0.12 0.87 0.61 -2.75 0.00 0.00 0.00 176.54 175.15 2huz h PHE 164 N 0.44 0.52 0.00 5.60 3.57 -1.46 -2.93 116.94 122.68 2huz h PHE 164 Ca -0.04 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 2huz h PHE 164 Cb 1.33 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 2huz h PHE 164 CO 0.07 0.13 -1.35 1.88 -2.23 0.00 0.00 178.31 176.80 2huz h TYR 165 N 0.38 0.00 -0.18 0.41 0.05 -1.57 -3.26 116.97 112.80 2huz h TYR 165 Ca 0.48 0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.31 2huz h TYR 165 Cb 1.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 2huz h TYR 165 CO -0.00 0.70 0.32 0.87 -1.05 0.00 0.00 178.16 178.99 2huz h LYS 166 N 0.00 0.00 0.00 4.88 6.56 -1.59 0.14 116.57 126.56 2huz h LYS 166 Ca -0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 2huz h LYS 166 Cb 1.68 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.34 2huz h LYS 166 CO 0.06 0.00 0.00 0.87 -2.06 0.00 0.00 179.45 178.32 2huz h LYS 167 N 0.00 0.00 -0.25 3.15 1.57 -1.68 -2.69 116.57 116.67 2huz h LYS 167 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2huz h LYS 167 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2huz h LYS 167 CO -0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 2huz n PHE 168 N -3.03 0.31 -0.01 -1.35 3.72 0.03 -3.21 117.46 113.92 2huz n PHE 168 Ca -0.01 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2huz n PHE 168 Cb 0.19 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2huz n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2huz n GLY 169 N 1.26 0.27 3.77 1.37 0.00 -1.01 -4.89 105.19 105.95 2huz n GLY 169 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2huz n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2huz s TYR 170 N -2.04 3.20 0.27 1.61 2.02 -1.22 -5.01 117.35 116.18 2huz s TYR 170 Ca 0.00 1.54 0.08 0.00 -0.37 0.00 0.00 57.07 58.31 2huz s TYR 170 Cb 0.00 -3.49 -0.06 0.00 -0.40 0.00 0.00 41.96 38.02 2huz s TYR 170 CO 0.00 -1.34 -0.10 0.95 -1.57 0.00 0.00 175.55 173.49 2huz s THR 171 N -1.23 1.84 -0.18 -0.71 -4.23 -1.26 -3.97 115.64 105.91 2huz s THR 171 Ca 0.50 -2.19 -0.29 0.00 -1.18 0.00 0.00 61.69 58.53 2huz s THR 171 Cb -0.35 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 2huz s THR 171 CO 0.45 -0.37 1.17 -0.69 -0.54 0.00 0.00 174.62 174.65 2huz s VAL 172 N -2.89 4.44 0.50 2.29 1.01 -1.26 -5.01 120.40 119.47 2huz s VAL 172 Ca 0.28 1.74 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 2huz s VAL 172 Cb 0.01 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2huz s VAL 172 CO 0.12 -0.14 1.01 -0.55 0.00 0.00 0.00 175.10 175.54 2huz s SER 173 N 1.64 6.43 0.25 3.32 0.15 -1.26 -4.94 113.70 119.29 2huz s SER 173 Ca 0.51 1.78 0.26 0.00 0.70 0.00 0.00 55.95 59.20 2huz s SER 173 Cb -0.19 -2.54 0.81 0.00 -1.71 0.00 0.00 66.02 62.38 2huz s SER 173 CO 0.12 -0.72 1.75 -0.33 1.20 0.00 0.00 173.24 175.27 2huz h GLU 174 N 1.30 0.00 -6.67 5.44 4.39 -2.07 -3.45 114.58 113.53 2huz h GLU 174 Ca -0.48 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.70 2huz h GLU 174 Cb 1.20 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.87 2huz h GLU 174 CO 0.60 0.00 0.55 -1.21 -1.16 0.00 0.00 179.01 177.79 2huz s GLU 175 N -3.17 4.50 0.41 2.33 2.02 -1.26 -5.04 118.70 118.50 2huz s GLU 175 Ca 0.09 1.86 -0.21 0.00 0.02 0.00 0.00 54.97 56.73 2huz s GLU 175 Cb 0.11 -3.24 -0.11 0.00 0.10 0.00 0.00 34.13 30.99 2huz s GLU 175 CO 0.57 -0.07 0.94 -0.80 0.02 0.00 0.00 175.26 175.92 2huz s ASN 176 N 0.09 6.99 0.01 -0.19 0.01 -1.26 -5.06 114.94 115.52 2huz s ASN 176 Ca 0.52 1.69 -0.23 0.00 -0.71 0.00 0.00 52.86 54.14 2huz s ASN 176 Cb -0.32 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.75 2huz s ASN 176 CO 0.37 -0.31 0.67 -0.47 -1.51 0.00 0.00 177.10 175.85 2huz s TYR 177 N -2.09 3.69 0.02 2.20 5.04 -1.26 -5.08 117.35 119.87 2huz s TYR 177 Ca 0.60 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 56.57 2huz s TYR 177 Cb -0.10 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.48 2huz s TYR 177 CO 0.15 0.29 -0.09 -1.64 -1.34 0.00 0.00 175.55 172.92 2huz s MET 178 N -0.03 0.65 -0.14 4.97 -1.94 -1.26 -5.15 119.30 116.40 2huz s MET 178 Ca 0.35 -0.50 -0.10 0.00 -1.71 0.00 0.00 55.69 53.72 2huz s MET 178 Cb -0.19 -0.59 0.05 0.00 2.01 0.00 0.00 34.83 36.11 2huz s MET 178 CO 0.19 0.15 0.36 0.00 -0.01 0.00 0.00 175.02 175.71 2huz s ARG 180 N 0.82 2.31 -0.03 0.00 3.52 -1.26 -5.12 118.95 119.19 2huz s ARG 180 Ca -0.05 -0.57 -0.20 0.00 -0.13 0.00 0.00 55.73 54.78 2huz s ARG 180 Cb -0.06 -2.12 -0.05 0.00 -1.56 0.00 0.00 34.95 31.16 2huz s ARG 180 CO -0.06 -0.24 0.58 1.03 -0.81 0.00 0.00 175.30 175.80 2huz s ARG 181 N 1.48 4.31 -0.18 5.12 1.81 -1.26 -4.95 118.95 125.29 2huz s ARG 181 Ca 0.05 0.69 0.12 0.00 -1.72 0.00 0.00 55.73 54.86 2huz s ARG 181 Cb -0.13 -3.36 -0.19 0.00 -0.45 0.00 0.00 34.95 30.82 2huz s ARG 181 CO -0.11 0.32 0.00 1.19 -0.68 0.00 0.00 175.30 176.02 2huz n PHE 182 N 2.96 0.00 0.37 -0.53 3.72 -1.26 -4.75 117.46 117.97 2huz n PHE 182 Ca -0.07 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.19 2huz n PHE 182 Cb 0.51 -0.83 -0.07 0.00 -0.94 0.00 0.00 39.48 38.15 2huz n PHE 182 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2huz h LEU 183 N 0.00 -0.81 0.00 4.37 6.46 -2.07 -3.59 115.31 119.67 2huz h LEU 183 Ca -0.46 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2huz h LEU 183 Cb 1.97 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 42.11 2huz h LEU 183 CO 0.00 -0.57 0.00 1.17 -0.62 0.00 0.00 178.44 178.43