#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u81 s ARG 19 N 0.00 2.75 -0.41 3.17 3.52 -1.26 -1.68 118.95 125.04 1u81 s ARG 19 Ca 0.00 -1.35 -0.11 0.00 -0.13 0.00 0.00 55.73 54.14 1u81 s ARG 19 Cb 0.00 -3.87 0.06 0.00 -1.56 0.00 0.00 34.95 29.58 1u81 s ARG 19 CO 0.00 -0.92 0.25 0.42 -0.81 0.00 0.00 175.30 174.24 1u81 s ILE 20 N 1.51 4.46 -0.98 4.11 1.09 -1.14 -0.50 121.20 129.75 1u81 s ILE 20 Ca 0.03 -1.17 -0.18 0.00 -1.10 0.00 0.00 60.65 58.23 1u81 s ILE 20 Cb -0.23 -3.64 0.13 0.00 -1.06 0.00 0.00 42.46 37.67 1u81 s ILE 20 CO 0.04 -0.42 1.19 -0.76 -0.10 0.00 0.00 174.94 174.90 1u81 s LEU 21 N 1.49 4.99 -0.90 2.97 1.43 -1.26 -3.78 118.68 123.63 1u81 s LEU 21 Ca 0.03 -2.19 -0.25 0.00 -1.03 0.00 0.00 54.13 50.69 1u81 s LEU 21 Cb -0.22 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1u81 s LEU 21 CO 0.04 -1.02 1.97 -0.32 0.23 0.00 0.00 176.35 177.24 1u81 s MET 22 N 2.59 2.52 0.32 1.70 -2.45 -1.25 -3.40 119.30 119.32 1u81 s MET 22 Ca 0.35 -0.26 -0.08 0.00 -1.25 0.00 0.00 55.69 54.45 1u81 s MET 22 Cb -0.04 -5.05 -0.06 0.00 1.25 0.00 0.00 34.83 30.93 1u81 s MET 22 CO -0.08 -3.42 0.63 0.14 1.05 0.00 0.00 175.02 173.34 1u81 s VAL 23 N 10.27 4.92 0.00 10.11 -7.23 0.16 -4.58 120.40 134.05 1u81 s VAL 23 Ca 0.71 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.21 1u81 s VAL 23 Cb -0.07 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1u81 s VAL 23 CO -0.00 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1u81 n GLY 24 N -0.91 0.68 0.00 2.32 0.00 -1.26 -1.60 105.19 104.42 1u81 n GLY 24 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1u81 n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u81 n LEU 25 N 0.00 0.00 -4.73 0.99 4.77 -1.26 -3.74 117.00 113.03 1u81 n LEU 25 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 1u81 n LEU 25 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1u81 n LEU 25 CO 0.00 -0.41 0.33 1.51 -1.33 0.00 0.00 177.39 177.49 1u81 s ASP 26 N -1.61 6.94 -1.29 -1.43 1.47 -1.26 -3.92 116.67 115.57 1u81 s ASP 26 Ca 0.00 1.13 0.00 0.00 1.18 0.00 0.00 52.55 54.86 1u81 s ASP 26 Cb 0.00 -2.38 0.00 0.00 -0.34 0.00 0.00 42.92 40.20 1u81 s ASP 26 CO 0.00 -0.02 0.00 0.00 0.68 0.00 0.00 175.17 175.83 1u81 n ALA 27 N 3.39 -0.33 -0.01 2.11 0.00 -1.26 -4.94 120.51 119.47 1u81 n ALA 27 Ca -0.04 0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1u81 n ALA 27 Cb 0.51 -1.59 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 1u81 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u81 h ALA 28 N 0.41 0.01 0.00 0.00 0.00 -1.90 -3.47 119.26 114.31 1u81 h ALA 28 Ca -0.31 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1u81 h ALA 28 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u81 h ALA 28 CO 0.40 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1u81 n GLY 29 N 0.09 -0.39 0.14 0.00 0.00 -1.26 -4.79 105.19 98.98 1u81 n GLY 29 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1u81 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u81 h LYS 30 N 0.00 0.40 -0.09 1.61 1.57 -1.93 -2.39 116.57 115.74 1u81 h LYS 30 Ca 0.00 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1u81 h LYS 30 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1u81 h LYS 30 CO 0.00 0.33 -0.56 1.15 -0.57 0.00 0.00 179.45 179.79 1u81 h THR 31 N 0.36 1.37 -0.56 -0.16 2.02 -1.99 -2.69 112.91 111.25 1u81 h THR 31 Ca 0.10 -1.88 -0.07 0.00 0.77 0.00 0.00 66.41 65.33 1u81 h THR 31 Cb 0.04 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1u81 h THR 31 CO -0.02 0.56 0.06 0.74 0.37 0.00 0.00 175.52 177.23 1u81 h THR 32 N 0.21 1.25 -0.26 3.16 2.02 -1.94 0.63 112.91 117.97 1u81 h THR 32 Ca -0.00 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1u81 h THR 32 Cb 1.05 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1u81 h THR 32 CO 0.09 0.36 0.02 0.40 0.37 0.00 0.00 175.52 176.77 1u81 h ILE 33 N 0.87 1.24 -0.88 3.11 2.04 -1.27 -2.88 117.51 119.74 1u81 h ILE 33 Ca 0.17 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1u81 h ILE 33 Cb 0.43 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1u81 h ILE 33 CO 0.01 0.27 0.54 -0.07 0.00 0.00 0.00 178.15 178.90 1u81 h LEU 34 N 0.25 1.04 -1.58 1.44 3.38 -1.14 -1.55 115.31 117.14 1u81 h LEU 34 Ca 0.08 -0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.28 1u81 h LEU 34 Cb 0.37 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1u81 h LEU 34 CO 0.01 0.80 0.72 0.22 0.09 0.00 0.00 178.44 180.27 1u81 h TYR 35 N 1.20 0.43 0.00 1.13 3.20 -0.66 -1.03 116.97 121.25 1u81 h TYR 35 Ca 0.32 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1u81 h TYR 35 Cb -0.07 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 1u81 h TYR 35 CO -0.00 0.04 -0.11 0.87 -1.64 0.00 0.00 178.16 177.32 1u81 h LYS 36 N 0.25 0.00 -0.95 1.82 1.79 -1.27 -3.37 116.57 114.85 1u81 h LYS 36 Ca 0.58 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 59.24 1u81 h LYS 36 Cb 1.74 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 32.20 1u81 h LYS 36 CO -0.20 0.45 -0.24 1.28 -1.08 0.00 0.00 179.45 179.66 1u81 n LEU 37 N -4.68 -0.34 -2.74 2.94 4.77 -0.63 -4.80 117.00 111.53 1u81 n LEU 37 Ca -0.06 1.64 -0.17 0.00 -0.03 0.00 0.00 56.01 57.39 1u81 n LEU 37 Cb 0.24 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1u81 n LEU 37 CO 0.15 -1.57 -0.12 0.29 -1.33 0.00 0.00 177.39 174.81 1u81 n LYS 38 N -5.55 -2.79 -4.67 3.23 5.02 -0.49 -4.95 118.16 107.96 1u81 n LYS 38 Ca 0.15 0.62 -0.33 0.00 -2.02 0.00 0.00 58.31 56.73 1u81 n LYS 38 Cb 0.48 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 30.09 1u81 n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u81 s LEU 39 N -5.98 3.03 0.00 -0.35 1.43 -1.26 -5.01 118.68 110.54 1u81 s LEU 39 Ca 0.13 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1u81 s LEU 39 Cb -0.07 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1u81 s LEU 39 CO 0.17 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1u81 n GLY 40 N 2.09 1.37 3.15 -3.19 0.00 -1.26 -4.87 105.19 102.47 1u81 n GLY 40 Ca -0.17 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1u81 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u81 s GLU 41 N 0.00 0.83 -1.06 1.61 2.02 -1.26 -5.10 118.70 115.75 1u81 s GLU 41 Ca 0.00 -1.32 -0.07 0.00 0.02 0.00 0.00 54.97 53.60 1u81 s GLU 41 Cb 0.00 0.25 0.26 0.00 0.10 0.00 0.00 34.13 34.74 1u81 s GLU 41 CO 0.00 -0.22 1.02 0.42 0.02 0.00 0.00 175.26 176.50 1u81 s ILE 42 N -3.99 5.56 -1.12 -1.63 1.01 -1.26 -3.96 121.20 115.81 1u81 s ILE 42 Ca 0.17 -3.56 -0.22 0.00 0.00 0.00 0.00 60.65 57.04 1u81 s ILE 42 Cb 0.07 -4.36 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 1u81 s ILE 42 CO -0.03 -1.16 1.77 -0.69 0.00 0.00 0.00 174.94 174.83 1u81 s VAL 43 N -1.30 3.77 -1.43 2.92 1.01 -0.20 -4.82 120.40 120.35 1u81 s VAL 43 Ca 0.30 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1u81 s VAL 43 Cb -0.09 -4.74 0.05 0.00 0.00 0.00 0.00 36.38 31.60 1u81 s VAL 43 CO -0.09 -1.49 2.42 0.41 0.00 0.00 0.00 175.10 176.35 1u81 n THR 44 N 7.22 4.44 -1.69 3.92 -1.04 -1.26 -1.19 114.28 124.68 1u81 n THR 44 Ca 0.42 -3.56 -0.30 0.00 -2.04 0.00 0.00 64.05 58.57 1u81 n THR 44 Cb 0.47 -2.40 0.20 0.00 -1.82 0.00 0.00 70.33 66.78 1u81 n THR 44 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1u81 s THR 45 N 1.00 1.89 -0.57 12.58 -4.23 -1.17 -4.88 115.64 120.27 1u81 s THR 45 Ca 0.54 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1u81 s THR 45 Cb 0.16 -2.85 0.14 0.00 1.34 0.00 0.00 72.50 71.29 1u81 s THR 45 CO -0.06 0.00 0.34 -0.63 -0.54 0.00 0.00 174.62 173.73 1u81 s ILE 46 N -3.62 3.17 0.00 2.99 1.01 -1.26 -3.22 121.20 120.26 1u81 s ILE 46 Ca 0.72 -3.08 0.00 0.00 0.00 0.00 0.00 60.65 58.29 1u81 s ILE 46 Cb -0.06 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1u81 s ILE 46 CO 0.54 -0.83 0.81 -2.65 0.00 0.00 0.00 174.94 172.81 1u81 n PRO 47 N 3.36 0.00 -4.74 2.79 -0.02 -1.16 -4.78 135.00 130.45 1u81 n PRO 47 Ca 0.06 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 1u81 n PRO 47 Cb 0.36 -1.31 -0.13 0.00 -0.02 0.00 0.00 33.50 32.39 1u81 n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1u81 s THR 48 N -2.25 3.26 -0.45 3.45 -4.23 -1.15 -4.98 115.64 109.29 1u81 s THR 48 Ca 0.00 -0.61 -0.10 0.00 -1.18 0.00 0.00 61.69 59.80 1u81 s THR 48 Cb 0.00 -2.34 -0.12 0.00 1.34 0.00 0.00 72.50 71.38 1u81 s THR 48 CO 0.00 0.55 1.11 -0.38 -0.54 0.00 0.00 174.62 175.36 1u81 n ILE 49 N 2.96 0.00 0.00 2.99 -0.00 -1.26 0.12 119.36 124.17 1u81 n ILE 49 Ca -0.18 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.49 1u81 n ILE 49 Cb 0.53 -0.14 0.00 0.00 -0.00 0.00 0.00 39.64 40.03 1u81 n ILE 49 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1u81 n GLY 50 N 2.73 3.14 3.58 7.39 0.00 -1.26 -4.90 105.19 115.86 1u81 n GLY 50 Ca 0.30 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1u81 n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u81 s PHE 51 N -0.24 2.51 -0.05 1.61 5.36 0.33 -5.01 117.98 122.50 1u81 s PHE 51 Ca 0.00 0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 56.30 1u81 s PHE 51 Cb 0.00 -4.51 -0.04 0.00 -0.34 0.00 0.00 43.02 38.13 1u81 s PHE 51 CO 0.00 -1.72 0.14 -0.80 -1.46 0.00 0.00 175.22 171.39 1u81 s ASN 52 N 3.31 6.20 -0.04 6.13 -0.87 -1.26 -2.95 114.94 125.47 1u81 s ASN 52 Ca 0.44 0.34 0.02 0.00 -1.57 0.00 0.00 52.86 52.09 1u81 s ASN 52 Cb -0.08 -1.93 0.01 0.00 -0.02 0.00 0.00 41.25 39.23 1u81 s ASN 52 CO 0.24 0.32 -0.07 -0.69 -2.57 0.00 0.00 177.10 174.33 1u81 s VAL 53 N -1.19 0.67 -1.03 1.60 1.01 -1.20 -4.44 120.40 115.83 1u81 s VAL 53 Ca 0.22 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1u81 s VAL 53 Cb -0.12 -0.64 0.20 0.00 0.00 0.00 0.00 36.38 35.82 1u81 s VAL 53 CO 0.12 0.24 1.12 -1.61 0.00 0.00 0.00 175.10 174.97 1u81 s GLU 54 N 0.59 3.89 -0.02 2.72 2.02 -0.97 -3.04 118.70 123.89 1u81 s GLU 54 Ca -0.09 -2.53 -0.30 0.00 0.02 0.00 0.00 54.97 52.08 1u81 s GLU 54 Cb -0.12 -4.75 -0.07 0.00 0.10 0.00 0.00 34.13 29.30 1u81 s GLU 54 CO 0.01 -1.52 1.73 0.99 0.02 0.00 0.00 175.26 176.49 1u81 s THR 55 N 0.76 3.38 -0.49 3.63 2.01 -0.33 -2.00 115.64 122.61 1u81 s THR 55 Ca 0.31 0.51 0.08 0.00 0.31 0.00 0.00 61.69 62.90 1u81 s THR 55 Cb -0.07 -3.33 0.30 0.00 0.01 0.00 0.00 72.50 69.42 1u81 s THR 55 CO -0.06 -0.04 0.74 0.52 -0.69 0.00 0.00 174.62 175.09 1u81 n VAL 56 N 5.42 1.10 -4.09 3.82 0.31 -0.39 -1.03 118.33 123.47 1u81 n VAL 56 Ca 0.18 -4.86 -0.32 0.00 -0.01 0.00 0.00 64.34 59.33 1u81 n VAL 56 Cb 0.42 -1.33 -0.16 0.00 -0.91 0.00 0.00 33.84 31.86 1u81 n VAL 56 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1u81 s GLU 57 N -2.44 2.75 -0.29 5.55 2.02 -1.26 0.59 118.70 125.63 1u81 s GLU 57 Ca 0.41 -0.75 -0.18 0.00 0.02 0.00 0.00 54.97 54.47 1u81 s GLU 57 Cb 0.25 -2.43 0.13 0.00 0.10 0.00 0.00 34.13 32.19 1u81 s GLU 57 CO -0.09 -0.23 0.96 -0.47 0.02 0.00 0.00 175.26 175.45 1u81 s TYR 58 N 1.35 -0.60 0.00 1.61 5.04 0.11 -4.95 117.35 119.92 1u81 s TYR 58 Ca 0.05 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 1u81 s TYR 58 Cb -0.13 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1u81 s TYR 58 CO -0.12 -0.30 0.00 1.63 -1.34 0.00 0.00 175.55 175.42 1u81 n LYS 59 N 3.43 0.00 0.16 4.97 5.02 -1.26 -2.27 118.16 128.21 1u81 n LYS 59 Ca -0.17 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.17 1u81 n LYS 59 Cb 0.57 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.68 1u81 n LYS 59 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1u81 h ASN 60 N 0.18 0.00 -3.61 4.39 -1.07 -2.00 -3.41 115.58 110.06 1u81 h ASN 60 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.86 1u81 h ASN 60 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 1u81 h ASN 60 CO 0.00 0.38 0.32 -0.63 0.07 0.00 0.00 177.43 177.58 1u81 s ILE 61 N -3.08 4.36 -0.45 6.14 1.01 -0.96 0.27 121.20 128.48 1u81 s ILE 61 Ca 0.04 2.00 0.07 0.00 0.00 0.00 0.00 60.65 62.77 1u81 s ILE 61 Cb 0.07 -4.29 0.27 0.00 0.01 0.00 0.00 42.46 38.52 1u81 s ILE 61 CO 0.72 0.41 0.80 -1.20 0.00 0.00 0.00 174.94 175.67 1u81 n SER 62 N 2.22 -1.59 -4.48 3.58 7.64 -0.68 0.09 113.62 120.39 1u81 n SER 62 Ca -0.00 -3.17 -0.43 0.00 1.01 0.00 0.00 58.87 56.28 1u81 n SER 62 Cb 0.48 0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 64.57 1u81 n SER 62 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1u81 s PHE 63 N -0.20 2.73 -0.78 1.43 0.08 0.20 -2.87 117.98 118.57 1u81 s PHE 63 Ca 0.32 -0.78 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 1u81 s PHE 63 Cb 0.23 -4.41 0.06 0.00 -0.57 0.00 0.00 43.02 38.33 1u81 s PHE 63 CO -0.16 -1.71 1.20 0.99 -0.10 0.00 0.00 175.22 175.44 1u81 s THR 64 N 4.04 4.03 0.65 0.64 2.01 -1.25 -1.27 115.64 124.49 1u81 s THR 64 Ca 0.31 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 1u81 s THR 64 Cb -0.09 -4.86 -0.02 0.00 0.01 0.00 0.00 72.50 67.54 1u81 s THR 64 CO 0.02 -1.72 1.05 -0.69 -0.69 0.00 0.00 174.62 172.59 1u81 s VAL 65 N 4.82 4.25 -2.70 3.82 1.01 -0.85 -4.41 120.40 126.35 1u81 s VAL 65 Ca 0.33 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1u81 s VAL 65 Cb -0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1u81 s VAL 65 CO 0.07 -0.95 0.00 -2.67 0.00 0.00 0.00 175.10 171.55 1u81 n TRP 66 N -2.84 0.00 -4.72 5.22 4.27 -1.26 -2.30 117.44 115.80 1u81 n TRP 66 Ca 0.06 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.35 1u81 n TRP 66 Cb 0.55 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.43 1u81 n TRP 66 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1u81 s ASP 67 N -0.11 3.89 0.46 -0.67 1.11 -1.26 -4.42 116.67 115.67 1u81 s ASP 67 Ca 0.00 -1.69 -0.01 0.00 0.18 0.00 0.00 52.55 51.03 1u81 s ASP 67 Cb 0.00 0.60 -0.01 0.00 1.07 0.00 0.00 42.92 44.58 1u81 s ASP 67 CO 0.00 -0.91 0.71 0.68 1.18 0.00 0.00 175.17 176.83 1u81 s VAL 68 N -2.95 4.22 0.00 -1.27 -7.23 -1.25 -4.94 120.40 106.99 1u81 s VAL 68 Ca 0.07 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1u81 s VAL 68 Cb 0.01 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1u81 s VAL 68 CO 0.04 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1u81 n GLY 69 N -2.14 -1.32 5.12 2.32 0.00 -1.26 -5.01 105.19 102.90 1u81 n GLY 69 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1u81 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u81 n GLY 70 N 0.00 0.49 2.19 -0.02 0.00 -1.26 -1.98 105.19 104.61 1u81 n GLY 70 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.66 1u81 n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u81 n GLN 71 N 0.00 0.10 0.00 1.61 7.27 -1.26 -5.03 117.38 120.06 1u81 n GLN 71 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 57.00 56.69 1u81 n GLN 71 Cb 0.00 0.01 0.00 0.00 2.41 0.00 0.00 30.24 32.66 1u81 n GLN 71 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1u81 n ASP 72 N -0.34 -0.13 -3.57 1.69 5.75 -0.84 -2.77 116.55 116.34 1u81 n ASP 72 Ca -0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.20 1u81 n ASP 72 Cb 0.58 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.66 1u81 n ASP 72 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1u81 n LYS 73 N 0.00 3.53 -3.49 0.11 4.81 -1.26 -4.72 118.16 117.14 1u81 n LYS 73 Ca 0.00 -2.75 -0.37 0.00 -0.87 0.00 0.00 58.31 54.32 1u81 n LYS 73 Cb 0.00 -2.97 0.04 0.00 0.02 0.00 0.00 35.03 32.12 1u81 n LYS 73 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1u81 n ILE 74 N 3.78 -3.74 -3.86 3.15 3.06 -1.11 -5.02 119.36 115.62 1u81 n ILE 74 Ca 0.60 0.11 -0.19 0.00 -2.50 0.00 0.00 62.75 60.78 1u81 n ILE 74 Cb 0.31 -3.49 -0.17 0.00 0.54 0.00 0.00 39.64 36.83 1u81 n ILE 74 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1u81 s ARG 75 N -2.34 0.33 0.00 9.51 6.06 -1.22 -5.03 118.95 126.27 1u81 s ARG 75 Ca 0.36 0.13 0.00 0.00 -2.50 0.00 0.00 55.73 53.72 1u81 s ARG 75 Cb -0.04 -0.62 0.00 0.00 0.06 0.00 0.00 34.95 34.35 1u81 s ARG 75 CO 0.81 -0.21 0.18 -2.30 -2.50 0.00 0.00 175.30 171.29 1u81 n PRO 76 N 4.57 0.21 -0.06 5.12 -0.02 -1.26 -3.59 135.00 139.97 1u81 n PRO 76 Ca -0.18 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.21 1u81 n PRO 76 Cb 0.50 -1.02 0.06 0.00 -0.02 0.00 0.00 33.50 33.02 1u81 n PRO 76 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1u81 h LEU 77 N 0.18 0.77 0.09 2.45 -0.00 -1.96 -3.00 115.31 113.84 1u81 h LEU 77 Ca 0.00 -0.33 0.02 0.00 -0.00 0.00 0.00 57.88 57.57 1u81 h LEU 77 Cb 0.02 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.42 1u81 h LEU 77 CO 0.00 1.05 -0.35 -0.50 -0.00 0.00 0.00 178.44 178.65 1u81 h TRP 78 N 0.61 -0.96 -0.18 0.17 4.06 -1.96 0.16 115.95 117.85 1u81 h TRP 78 Ca 0.06 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.09 1u81 h TRP 78 Cb 0.89 0.41 -0.06 0.00 -1.00 0.00 0.00 29.16 29.40 1u81 h TRP 78 CO 0.05 -0.45 -0.25 0.00 -3.56 0.00 0.00 178.44 174.22 1u81 h ARG 79 N -0.56 -0.28 0.00 0.49 -0.00 -1.84 0.21 114.38 112.40 1u81 h ARG 79 Ca 0.04 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.52 1u81 h ARG 79 Cb 0.60 0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.63 1u81 h ARG 79 CO -0.22 -0.19 -0.09 0.45 0.00 0.00 0.00 179.97 179.92 1u81 h HIS 80 N -0.29 0.00 0.22 3.04 3.86 -1.34 0.42 115.15 121.06 1u81 h HIS 80 Ca 0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1u81 h HIS 80 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1u81 h HIS 80 CO -0.38 0.09 -0.10 1.88 0.86 0.00 0.00 177.93 180.28 1u81 h TYR 81 N 0.00 -0.27 -0.67 2.45 -1.99 0.11 -3.06 116.97 113.55 1u81 h TYR 81 Ca -0.00 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.81 1u81 h TYR 81 Cb 0.18 0.09 -0.07 0.00 2.00 0.00 0.00 36.73 38.93 1u81 h TYR 81 CO 0.00 0.12 0.32 0.74 -0.00 0.00 0.00 178.16 179.35 1u81 h PHE 82 N -0.81 0.58 -0.77 4.88 0.04 -0.00 -1.93 116.94 118.94 1u81 h PHE 82 Ca -0.03 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.83 1u81 h PHE 82 Cb 0.51 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.45 1u81 h PHE 82 CO 0.06 0.22 0.50 1.96 -0.60 0.00 0.00 178.31 180.45 1u81 h GLN 83 N 0.57 0.79 -0.62 1.51 4.20 -0.99 -2.01 115.11 118.56 1u81 h GLN 83 Ca 0.32 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1u81 h GLN 83 Cb 0.32 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1u81 h GLN 83 CO -0.25 0.52 0.00 0.27 -0.67 0.00 0.00 178.83 178.70 1u81 n ASN 84 N -4.48 4.33 -4.84 1.46 6.94 -0.78 -4.96 115.26 112.92 1u81 n ASN 84 Ca 0.11 -2.31 -0.35 0.00 -0.02 0.00 0.00 54.58 52.02 1u81 n ASN 84 Cb 0.22 -0.52 -0.06 0.00 -2.36 0.00 0.00 39.78 37.07 1u81 n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1u81 s THR 85 N -1.58 4.78 0.00 5.53 2.01 -0.76 -4.45 115.64 121.18 1u81 s THR 85 Ca 0.47 0.89 0.00 0.00 0.31 0.00 0.00 61.69 63.37 1u81 s THR 85 Cb 0.29 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1u81 s THR 85 CO 0.25 0.14 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 1u81 n GLN 86 N 0.52 1.16 -2.77 4.92 1.13 0.05 -4.96 117.38 117.44 1u81 n GLN 86 Ca -0.03 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.83 1u81 n GLN 86 Cb 0.52 -0.94 0.09 0.00 0.11 0.00 0.00 30.24 30.01 1u81 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u81 n GLY 87 N 2.30 1.40 2.74 1.08 0.00 0.34 -4.59 105.19 108.47 1u81 n GLY 87 Ca 0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 46.02 43.87 1u81 n GLY 87 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u81 s LEU 88 N 0.00 -0.37 -0.31 0.99 2.96 -1.25 -4.29 118.68 116.41 1u81 s LEU 88 Ca 0.62 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 1u81 s LEU 88 Cb -0.04 0.48 0.03 0.00 0.50 0.00 0.00 46.19 47.15 1u81 s LEU 88 CO 0.40 -0.03 0.07 -0.63 -1.32 0.00 0.00 176.35 174.84 1u81 s ILE 89 N 1.56 3.68 -0.27 6.68 1.01 -1.22 0.69 121.20 133.32 1u81 s ILE 89 Ca 0.18 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1u81 s ILE 89 Cb 0.07 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 1u81 s ILE 89 CO -0.13 -0.06 0.08 0.12 0.00 0.00 0.00 174.94 174.95 1u81 s PHE 90 N 1.41 3.11 -0.46 3.97 5.36 0.04 0.36 117.98 131.77 1u81 s PHE 90 Ca -0.01 -0.69 -0.14 0.00 -0.96 0.00 0.00 56.93 55.13 1u81 s PHE 90 Cb -0.19 -2.25 0.07 0.00 -0.34 0.00 0.00 43.02 40.32 1u81 s PHE 90 CO 0.02 -0.47 0.37 0.08 -1.46 0.00 0.00 175.22 173.76 1u81 s VAL 91 N 1.56 5.03 -0.21 3.12 1.01 -0.62 -1.44 120.40 128.85 1u81 s VAL 91 Ca 0.05 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 1u81 s VAL 91 Cb -0.16 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1u81 s VAL 91 CO 0.03 -0.56 0.66 -0.69 0.00 0.00 0.00 175.10 174.54 1u81 s VAL 92 N 1.60 4.99 -0.91 2.92 1.01 -1.11 -4.31 120.40 124.58 1u81 s VAL 92 Ca 0.04 1.24 -0.24 0.00 0.00 0.00 0.00 61.98 63.01 1u81 s VAL 92 Cb -0.24 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1u81 s VAL 92 CO 0.06 0.08 1.84 -0.62 0.00 0.00 0.00 175.10 176.45 1u81 s ASP 93 N 1.26 5.43 0.44 3.32 -1.08 -1.26 -4.23 116.67 120.56 1u81 s ASP 93 Ca 0.29 -0.79 0.18 0.00 -0.52 0.00 0.00 52.55 51.70 1u81 s ASP 93 Cb -0.16 -2.56 1.11 0.00 -1.46 0.00 0.00 42.92 39.86 1u81 s ASP 93 CO 0.10 -2.47 1.93 0.28 0.52 0.00 0.00 175.17 175.53 1u81 h SER 94 N 11.11 0.32 0.05 -0.34 0.02 -1.73 -3.07 113.55 119.91 1u81 h SER 94 Ca 0.10 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1u81 h SER 94 Cb 1.01 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1u81 h SER 94 CO 1.26 0.17 -0.73 -1.13 -1.14 0.00 0.00 176.83 175.25 1u81 h ASN 95 N 0.34 0.16 -0.46 3.07 -1.24 -1.85 -3.28 115.58 112.34 1u81 h ASN 95 Ca 0.36 -0.85 -0.25 0.00 0.71 0.00 0.00 56.30 56.27 1u81 h ASN 95 Cb 0.90 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.86 1u81 h ASN 95 CO -0.10 1.31 1.09 -0.67 -1.29 0.00 0.00 177.43 177.77 1u81 n ASP 96 N -4.34 0.85 -0.41 1.15 -0.08 -1.16 -4.32 116.55 108.23 1u81 n ASP 96 Ca -0.19 -0.84 0.04 0.00 -1.51 0.00 0.00 54.79 52.29 1u81 n ASP 96 Cb 0.67 -1.26 0.09 0.00 2.34 0.00 0.00 41.12 42.97 1u81 n ASP 96 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1u81 n ARG 97 N 7.93 2.26 -0.08 -0.67 1.85 -1.26 -4.40 116.66 122.29 1u81 n ARG 97 Ca 0.53 -1.67 -0.22 0.00 -1.00 0.00 0.00 57.85 55.49 1u81 n ARG 97 Cb 0.33 -1.18 -0.12 0.00 -1.05 0.00 0.00 32.46 30.44 1u81 n ARG 97 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1u81 n GLU 98 N 0.25 0.60 -0.23 2.89 4.71 -1.26 -3.97 120.64 123.63 1u81 n GLU 98 Ca 0.07 0.52 0.05 0.00 -0.01 0.00 0.00 57.16 57.79 1u81 n GLU 98 Cb 0.33 -1.74 0.16 0.00 -1.01 0.00 0.00 31.44 29.18 1u81 n GLU 98 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1u81 n ARG 99 N -4.26 2.04 0.00 3.49 1.74 -1.26 -4.76 116.66 113.65 1u81 n ARG 99 Ca -0.33 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 1u81 n ARG 99 Cb 0.75 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1u81 n ARG 99 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1u81 n VAL 100 N 0.44 0.00 1.08 1.55 3.14 -1.25 0.90 118.33 124.19 1u81 n VAL 100 Ca 0.12 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.61 1u81 n VAL 100 Cb 0.39 0.00 0.58 0.00 -1.06 0.00 0.00 33.84 33.75 1u81 n VAL 100 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1u81 n ASN 101 N -3.01 0.00 -0.04 6.55 6.94 -1.26 -3.41 115.26 121.03 1u81 n ASN 101 Ca 0.00 0.02 0.12 0.00 -0.02 0.00 0.00 54.58 54.70 1u81 n ASN 101 Cb 0.00 -0.31 0.53 0.00 -2.36 0.00 0.00 39.78 37.64 1u81 n ASN 101 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1u81 h GLU 102 N 0.00 0.32 0.00 -3.83 4.81 0.12 -1.64 114.58 114.37 1u81 h GLU 102 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1u81 h GLU 102 Cb 0.24 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1u81 h GLU 102 CO 0.00 0.21 -0.01 0.00 -0.73 0.00 0.00 179.01 178.49 1u81 h ALA 103 N 1.73 0.00 -1.24 2.92 0.00 -1.78 -3.30 119.26 117.59 1u81 h ALA 103 Ca 0.25 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.33 1u81 h ALA 103 Cb 0.54 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1u81 h ALA 103 CO -0.06 0.01 0.87 -2.13 0.00 0.00 0.00 179.25 177.94 1u81 n ARG 104 N -4.71 -0.01 0.12 0.00 0.63 -0.88 0.50 116.66 112.31 1u81 n ARG 104 Ca -0.04 0.77 -0.05 0.00 -0.92 0.00 0.00 57.85 57.61 1u81 n ARG 104 Cb 0.19 -1.69 -0.02 0.00 0.45 0.00 0.00 32.46 31.38 1u81 n ARG 104 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1u81 h GLU 105 N 0.00 -0.32 0.35 -0.14 4.39 -1.39 -2.63 114.58 114.84 1u81 h GLU 105 Ca 0.63 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.33 1u81 h GLU 105 Cb 2.41 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 31.13 1u81 h GLU 105 CO -0.09 -0.21 -0.17 0.93 -1.16 0.00 0.00 179.01 178.31 1u81 h GLU 106 N -0.44 -0.45 -0.61 2.33 4.39 -1.09 -3.25 114.58 115.46 1u81 h GLU 106 Ca -0.03 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1u81 h GLU 106 Cb 0.25 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.90 1u81 h GLU 106 CO 0.06 -0.19 -0.22 -0.11 -1.16 0.00 0.00 179.01 177.38 1u81 n LEU 107 N -5.22 -0.36 -0.34 1.33 7.94 0.18 0.68 117.00 121.22 1u81 n LEU 107 Ca -0.10 1.06 0.17 0.00 -1.11 0.00 0.00 56.01 56.03 1u81 n LEU 107 Cb 0.25 -0.26 0.34 0.00 0.53 0.00 0.00 43.42 44.28 1u81 n LEU 107 CO 0.33 -0.97 0.85 0.24 -1.11 0.00 0.00 177.39 176.74 1u81 h MET 108 N 0.00 0.01 -0.05 1.96 2.86 -1.50 -0.08 114.93 118.13 1u81 h MET 108 Ca 0.23 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 1u81 h MET 108 Cb 0.38 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1u81 h MET 108 CO -0.61 0.01 -0.20 0.00 1.06 0.00 0.00 176.91 177.17 1u81 h ARG 109 N 0.01 0.23 0.00 1.72 -0.00 0.08 -2.84 114.38 113.58 1u81 h ARG 109 Ca 0.64 -0.17 0.00 0.00 -0.50 0.00 0.00 59.98 59.95 1u81 h ARG 109 Cb 1.40 0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.40 1u81 h ARG 109 CO -0.89 0.81 0.00 -1.33 0.00 0.00 0.00 179.97 178.56 1u81 n MET 110 N -4.56 0.00 -0.03 0.04 2.81 -0.08 -2.49 117.12 112.82 1u81 n MET 110 Ca -0.08 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.79 1u81 n MET 110 Cb 0.43 -1.04 -0.00 0.00 -0.71 0.00 0.00 33.22 31.89 1u81 n MET 110 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1u81 h LEU 111 N 0.00 0.00 0.10 4.03 3.38 -1.20 -3.42 115.31 118.19 1u81 h LEU 111 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1u81 h LEU 111 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 1u81 h LEU 111 CO 0.00 0.27 -1.22 0.00 0.09 0.00 0.00 178.44 177.58 1u81 h ALA 112 N -1.62 0.02 -0.32 1.53 0.00 -1.66 -3.47 119.26 113.73 1u81 h ALA 112 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 54.91 53.86 1u81 h ALA 112 Cb 0.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1u81 h ALA 112 CO 0.00 0.69 0.20 0.39 0.00 0.00 0.00 179.25 180.53 1u81 n GLU 113 N -3.80 0.00 -0.05 0.00 -0.58 -1.04 -4.89 120.64 110.29 1u81 n GLU 113 Ca -0.13 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.47 1u81 n GLU 113 Cb 0.97 -0.49 -0.12 0.00 -0.57 0.00 0.00 31.44 31.24 1u81 n GLU 113 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1u81 h ASP 114 N 1.55 0.00 -1.84 1.62 5.19 -1.93 -3.31 116.42 117.70 1u81 h ASP 114 Ca -0.15 -0.79 0.53 0.00 -0.62 0.00 0.00 57.03 56.01 1u81 h ASP 114 Cb 0.45 -0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 1u81 h ASP 114 CO 0.31 0.79 1.36 -0.62 -3.12 0.00 0.00 179.24 177.96 1u81 n GLU 115 N -4.71 0.00 -2.28 3.56 -0.58 -1.26 -0.48 120.64 114.90 1u81 n GLU 115 Ca -0.09 1.04 -0.36 0.00 -0.42 0.00 0.00 57.16 57.32 1u81 n GLU 115 Cb 0.39 -2.41 0.02 0.00 -0.57 0.00 0.00 31.44 28.87 1u81 n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1u81 n LEU 116 N -3.79 6.55 0.00 -4.62 4.77 -1.25 -4.83 117.00 113.83 1u81 n LEU 116 Ca 0.41 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 51.29 1u81 n LEU 116 Cb 1.91 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1u81 n LEU 116 CO 0.41 1.98 0.05 0.54 -1.33 0.00 0.00 177.39 179.05 1u81 n ARG 117 N -0.41 0.00 -0.07 3.23 5.12 0.37 -4.58 116.66 120.31 1u81 n ARG 117 Ca 0.47 0.24 -0.13 0.00 -1.93 0.00 0.00 57.85 56.50 1u81 n ARG 117 Cb 0.35 -0.80 -0.06 0.00 -1.16 0.00 0.00 32.46 30.79 1u81 n ARG 117 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1u81 h ASP 118 N 0.00 0.54 0.00 0.55 2.03 -1.88 -3.40 116.42 114.26 1u81 h ASP 118 Ca 0.00 -0.48 -0.39 0.00 -0.73 0.00 0.00 57.03 55.43 1u81 h ASP 118 Cb 0.00 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 38.31 1u81 h ASP 118 CO 0.00 0.91 0.88 0.00 -1.03 0.00 0.00 179.24 180.00 1u81 n ALA 119 N -2.45 0.15 -1.95 4.15 0.00 -1.26 -4.75 120.51 114.39 1u81 n ALA 119 Ca -0.05 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1u81 n ALA 119 Cb 0.41 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1u81 n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u81 s VAL 120 N 4.22 3.43 -0.13 0.00 1.01 -1.26 -4.82 120.40 122.84 1u81 s VAL 120 Ca 0.74 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 1u81 s VAL 120 Cb -0.83 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1u81 s VAL 120 CO 0.35 -0.30 1.50 -0.22 0.00 0.00 0.00 175.10 176.42 1u81 s LEU 121 N 6.63 4.17 -0.81 3.92 2.96 -0.94 -3.86 118.68 130.76 1u81 s LEU 121 Ca 0.82 1.89 -0.16 0.00 -0.22 0.00 0.00 54.13 56.46 1u81 s LEU 121 Cb -0.26 -3.53 0.18 0.00 0.50 0.00 0.00 46.19 43.08 1u81 s LEU 121 CO 0.33 -0.94 0.84 -0.22 -1.32 0.00 0.00 176.35 175.04 1u81 s LEU 122 N 4.09 6.17 -1.22 -0.68 2.96 0.22 -1.93 118.68 128.28 1u81 s LEU 122 Ca 0.66 -2.36 -0.20 0.00 -0.22 0.00 0.00 54.13 52.01 1u81 s LEU 122 Cb -0.27 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.18 1u81 s LEU 122 CO 0.24 -0.76 1.75 -0.69 -1.32 0.00 0.00 176.35 175.57 1u81 s VAL 123 N 1.12 3.94 -0.69 1.68 1.01 0.24 -0.78 120.40 126.92 1u81 s VAL 123 Ca 0.20 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.43 1u81 s VAL 123 Cb -0.11 -4.99 0.01 0.00 0.00 0.00 0.00 36.38 31.28 1u81 s VAL 123 CO -0.07 -1.74 1.51 -0.36 0.00 0.00 0.00 175.10 174.44 1u81 s PHE 124 N 6.07 2.04 -0.08 5.22 0.40 -0.52 -3.94 117.98 127.16 1u81 s PHE 124 Ca 0.57 0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 57.12 1u81 s PHE 124 Cb 0.02 -4.42 -0.21 0.00 0.51 0.00 0.00 43.02 38.92 1u81 s PHE 124 CO 0.06 -2.17 3.48 0.00 0.70 0.00 0.00 175.22 177.29 1u81 n ALA 125 N 10.71 6.39 -1.78 5.36 0.00 -1.24 -2.77 120.51 137.18 1u81 n ALA 125 Ca 0.10 -2.05 -0.36 0.00 0.00 0.00 0.00 53.44 51.13 1u81 n ALA 125 Cb 0.50 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 1u81 n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u81 s ASN 126 N 1.71 6.64 0.00 0.00 2.47 -1.24 -4.13 114.94 120.38 1u81 s ASN 126 Ca 0.66 2.05 0.00 0.00 0.42 0.00 0.00 52.86 55.99 1u81 s ASN 126 Cb 0.33 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 1u81 s ASN 126 CO -0.04 -0.58 0.00 0.29 -3.72 0.00 0.00 177.10 173.05 1u81 n LYS 127 N -0.24 0.00 0.04 0.43 5.02 -1.26 -2.97 118.16 119.19 1u81 n LYS 127 Ca 0.06 0.02 -0.03 0.00 -2.02 0.00 0.00 58.31 56.34 1u81 n LYS 127 Cb 0.50 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 1u81 n LYS 127 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1u81 h GLN 128 N 0.00 0.00 0.00 1.97 1.08 -1.90 -3.26 115.11 113.01 1u81 h GLN 128 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1u81 h GLN 128 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1u81 h GLN 128 CO 0.00 0.50 0.11 -0.40 -0.95 0.00 0.00 178.83 178.09 1u81 n ASP 129 N -3.07 0.00 -4.49 1.46 5.75 -1.26 -4.45 116.55 110.49 1u81 n ASP 129 Ca -0.08 0.25 -0.37 0.00 -0.01 0.00 0.00 54.79 54.58 1u81 n ASP 129 Cb 0.89 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 40.62 1u81 n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1u81 s LEU 130 N -2.40 3.71 0.46 -2.12 1.43 -1.25 -5.00 118.68 113.50 1u81 s LEU 130 Ca 0.00 -0.19 0.22 0.00 -1.03 0.00 0.00 54.13 53.13 1u81 s LEU 130 Cb 0.00 -1.99 1.22 0.00 0.03 0.00 0.00 46.19 45.44 1u81 s LEU 130 CO 0.00 -0.06 1.87 -0.65 0.23 0.00 0.00 176.35 177.74 1u81 h PRO 131 N 8.29 0.26 0.00 1.29 0.11 -1.93 -1.49 132.00 138.53 1u81 h PRO 131 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1u81 h PRO 131 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1u81 h PRO 131 CO 0.57 0.17 0.00 -0.97 -0.21 0.00 0.00 178.00 177.57 1u81 h ASN 132 N 0.27 0.00 -4.19 -2.05 -1.24 -1.94 -3.45 115.58 102.98 1u81 h ASN 132 Ca 0.45 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.93 1u81 h ASN 132 Cb 1.33 0.00 0.15 0.00 0.73 0.00 0.00 38.32 40.53 1u81 h ASN 132 CO -0.12 0.00 0.38 0.00 -1.29 0.00 0.00 177.43 176.39 1u81 s ALA 133 N -3.44 2.12 0.73 1.57 0.00 -0.56 -4.82 121.76 117.35 1u81 s ALA 133 Ca 0.02 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 1u81 s ALA 133 Cb 0.09 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1u81 s ALA 133 CO 0.39 -1.85 1.24 -1.64 0.00 0.00 0.00 175.76 173.90 1u81 s MET 134 N -4.02 2.09 1.02 0.00 -1.94 -1.24 -4.94 119.30 110.28 1u81 s MET 134 Ca 0.72 1.89 -0.14 0.00 -1.71 0.00 0.00 55.69 56.45 1u81 s MET 134 Cb -0.27 -1.81 0.09 0.00 2.01 0.00 0.00 34.83 34.85 1u81 s MET 134 CO 0.46 -1.90 0.43 0.27 -0.01 0.00 0.00 175.02 174.27 1u81 n ASN 135 N -2.62 -1.86 -0.24 3.03 0.23 -1.26 -4.67 115.26 107.87 1u81 n ASN 135 Ca 0.14 0.16 -0.03 0.00 -0.53 0.00 0.00 54.58 54.33 1u81 n ASN 135 Cb 0.49 -1.17 0.03 0.00 -2.08 0.00 0.00 39.78 37.06 1u81 n ASN 135 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u81 h ALA 136 N -1.85 0.13 0.20 -2.53 0.00 -2.01 -2.66 119.26 110.54 1u81 h ALA 136 Ca -0.48 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1u81 h ALA 136 Cb 1.31 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1u81 h ALA 136 CO 0.38 -0.59 -0.10 0.00 0.00 0.00 0.00 179.25 178.93 1u81 h ALA 137 N 1.25 -0.27 0.00 0.00 0.00 -2.00 -2.95 119.26 115.29 1u81 h ALA 137 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u81 h ALA 137 Cb 0.55 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1u81 h ALA 137 CO -0.74 -0.41 0.02 -0.85 0.00 0.00 0.00 179.25 177.27 1u81 n GLU 138 N -5.01 0.00 0.02 0.00 0.28 -1.16 -0.91 120.64 113.86 1u81 n GLU 138 Ca -0.09 0.31 -0.13 0.00 -0.16 0.00 0.00 57.16 57.10 1u81 n GLU 138 Cb 0.26 -1.52 -0.09 0.00 1.43 0.00 0.00 31.44 31.52 1u81 n GLU 138 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1u81 h ILE 139 N 0.00 1.21 -0.34 3.84 1.08 -1.29 -3.12 117.51 118.89 1u81 h ILE 139 Ca 0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1u81 h ILE 139 Cb 0.04 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1u81 h ILE 139 CO 0.00 0.23 0.00 0.41 -0.69 0.00 0.00 178.15 178.10 1u81 n THR 140 N -4.93 0.44 0.00 -0.27 -1.04 -0.24 -4.55 114.28 103.70 1u81 n THR 140 Ca -0.08 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1u81 n THR 140 Cb 0.23 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 1u81 n THR 140 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1u81 n ASP 141 N 0.87 0.00 -0.21 8.00 2.03 -0.09 -2.39 116.55 124.76 1u81 n ASP 141 Ca 0.17 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.68 1u81 n ASP 141 Cb 0.44 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.18 1u81 n ASP 141 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1u81 n LYS 142 N 0.00 -0.03 -0.11 -0.67 4.76 -1.22 0.12 118.16 121.02 1u81 n LYS 142 Ca 0.00 0.74 0.03 0.00 -2.87 0.00 0.00 58.31 56.22 1u81 n LYS 142 Cb 0.00 -1.38 0.36 0.00 -1.84 0.00 0.00 35.03 32.17 1u81 n LYS 142 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1u81 h LEU 143 N 0.00 0.63 0.00 -0.35 3.38 -1.80 -3.46 115.31 113.71 1u81 h LEU 143 Ca 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1u81 h LEU 143 Cb 1.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1u81 h LEU 143 CO -0.37 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1u81 n GLY 144 N -1.45 1.55 0.80 0.83 0.00 0.33 -5.00 105.19 102.24 1u81 n GLY 144 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1u81 n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u81 n LEU 145 N 0.00 2.59 0.11 0.99 4.77 -1.12 -3.09 117.00 121.25 1u81 n LEU 145 Ca 0.00 -0.88 -0.24 0.00 -0.03 0.00 0.00 56.01 54.87 1u81 n LEU 145 Cb 0.00 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 1u81 n LEU 145 CO 0.00 0.44 -0.30 -0.74 -1.33 0.00 0.00 177.39 175.46 1u81 h HIS 146 N 3.91 0.82 0.00 -1.77 2.76 -1.67 -3.41 115.15 115.79 1u81 h HIS 146 Ca 0.00 -0.60 -0.20 0.00 -2.20 0.00 0.00 60.37 57.37 1u81 h HIS 146 Cb 0.88 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 1u81 h HIS 146 CO 0.00 1.57 -1.73 -1.13 -1.30 0.00 0.00 177.93 175.34 1u81 n SER 147 N -3.75 2.39 -4.72 3.26 3.41 -1.26 -5.01 113.62 107.93 1u81 n SER 147 Ca -0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 1u81 n SER 147 Cb 1.05 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 1u81 n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u81 s LEU 148 N -6.04 4.38 0.00 1.04 1.43 -1.18 -5.02 118.68 113.29 1u81 s LEU 148 Ca -0.18 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1u81 s LEU 148 Cb 0.05 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1u81 s LEU 148 CO 0.27 -0.69 0.00 0.54 0.23 0.00 0.00 176.35 176.70 1u81 n ARG 149 N 3.63 2.44 0.00 1.70 5.12 -1.26 -4.64 116.66 123.64 1u81 n ARG 149 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1u81 n ARG 149 Cb 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.71 1u81 n ARG 149 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1u81 n HIS 150 N 0.00 0.00 -1.72 -1.55 8.25 -1.26 -4.94 115.22 114.00 1u81 n HIS 150 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1u81 n HIS 150 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1u81 n HIS 150 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1u81 n ARG 151 N 0.00 1.49 -2.67 -0.41 0.63 -1.26 -4.92 116.66 109.51 1u81 n ARG 151 Ca 0.00 0.55 -0.43 0.00 -0.92 0.00 0.00 57.85 57.06 1u81 n ARG 151 Cb 0.00 -2.51 -0.02 0.00 0.45 0.00 0.00 32.46 30.38 1u81 n ARG 151 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1u81 s ASN 152 N -1.03 6.96 0.36 6.15 3.84 -1.26 -4.99 114.94 124.97 1u81 s ASN 152 Ca 0.74 1.11 -0.02 0.00 0.21 0.00 0.00 52.86 54.91 1u81 s ASN 152 Cb -0.41 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 37.76 1u81 s ASN 152 CO 0.47 -0.79 0.50 -2.67 -2.79 0.00 0.00 177.10 171.82 1u81 n TRP 153 N 6.65 -1.47 -3.65 0.43 4.27 -1.26 -2.21 117.44 120.19 1u81 n TRP 153 Ca 0.11 -2.43 -0.00 0.00 -3.89 0.00 0.00 57.50 51.28 1u81 n TRP 153 Cb 0.47 0.56 -0.06 0.00 -1.36 0.00 0.00 31.31 30.92 1u81 n TRP 153 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1u81 s TYR 154 N -2.86 -0.14 -0.17 -2.67 5.04 -0.81 -4.85 117.35 110.88 1u81 s TYR 154 Ca 0.30 0.31 -0.05 0.00 -2.44 0.00 0.00 57.07 55.19 1u81 s TYR 154 Cb -0.01 0.23 0.08 0.00 0.35 0.00 0.00 41.96 42.62 1u81 s TYR 154 CO 0.22 -0.07 0.31 -1.50 -1.34 0.00 0.00 175.55 173.17 1u81 s ILE 155 N 0.71 -0.49 0.18 3.14 2.07 -1.26 0.82 121.20 126.36 1u81 s ILE 155 Ca -0.03 0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.40 1u81 s ILE 155 Cb -0.03 -0.57 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 1u81 s ILE 155 CO -0.12 0.04 -0.00 -1.58 -1.91 0.00 0.00 174.94 171.37 1u81 s GLN 156 N 2.48 1.12 -0.08 3.50 2.00 -1.25 -5.01 119.66 122.41 1u81 s GLN 156 Ca 0.03 -1.54 -0.30 0.00 -2.00 0.00 0.00 55.36 51.55 1u81 s GLN 156 Cb -0.13 -0.31 -0.08 0.00 0.80 0.00 0.00 33.01 33.30 1u81 s GLN 156 CO -0.11 -0.12 2.08 0.00 -0.50 0.00 0.00 175.29 176.65 1u81 n ALA 157 N -0.25 1.63 -3.40 1.58 0.00 -1.26 -3.67 120.51 115.14 1u81 n ALA 157 Ca -0.07 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1u81 n ALA 157 Cb 0.63 -2.78 -0.14 0.00 0.00 0.00 0.00 19.45 17.16 1u81 n ALA 157 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u81 s THR 158 N 6.16 3.13 -0.36 0.00 -4.23 -1.26 -3.44 115.64 115.64 1u81 s THR 158 Ca 0.95 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1u81 s THR 158 Cb -0.41 -2.38 0.11 0.00 1.34 0.00 0.00 72.50 71.16 1u81 s THR 158 CO 0.40 0.48 0.11 0.00 -0.54 0.00 0.00 174.62 175.06 1u81 h ALA 160 N 7.52 0.43 -0.82 0.00 0.00 -1.87 -0.07 119.26 124.44 1u81 h ALA 160 Ca -0.07 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1u81 h ALA 160 Cb 0.99 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1u81 h ALA 160 CO 0.52 0.40 -0.57 1.79 0.00 0.00 0.00 179.25 181.39 1u81 h THR 161 N 0.43 0.00 0.10 0.00 1.35 -1.93 -2.89 112.91 109.97 1u81 h THR 161 Ca 0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1u81 h THR 161 Cb 0.77 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1u81 h THR 161 CO 0.06 0.00 -0.05 0.77 -0.25 0.00 0.00 175.52 176.05 1u81 h SER 162 N -0.10 -0.11 0.00 5.36 4.64 -2.01 -3.48 113.55 117.85 1u81 h SER 162 Ca 0.13 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1u81 h SER 162 Cb 0.44 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1u81 h SER 162 CO -0.83 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 176.27 1u81 n GLY 163 N 0.89 1.17 3.44 -0.77 0.00 -0.10 -5.14 105.19 104.69 1u81 n GLY 163 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1u81 n GLY 163 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u81 n ASP 164 N 0.00 -1.81 0.00 1.61 2.03 -0.81 -2.60 116.55 114.96 1u81 n ASP 164 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1u81 n ASP 164 Cb 0.00 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 1u81 n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u81 n GLY 165 N 1.36 1.12 0.19 0.27 0.00 -1.22 -0.90 105.19 106.01 1u81 n GLY 165 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1u81 n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u81 h LEU 166 N 0.00 0.57 0.26 0.99 3.38 -1.77 -2.89 115.31 115.84 1u81 h LEU 166 Ca 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1u81 h LEU 166 Cb 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1u81 h LEU 166 CO 0.00 0.70 -0.19 0.22 0.09 0.00 0.00 178.44 179.26 1u81 h TYR 167 N 0.42 -0.50 -0.98 1.13 5.03 -1.83 -0.85 116.97 119.38 1u81 h TYR 167 Ca 0.10 -0.00 0.24 0.00 2.58 0.00 0.00 58.73 61.65 1u81 h TYR 167 Cb 0.38 0.18 -0.13 0.00 1.55 0.00 0.00 36.73 38.72 1u81 h TYR 167 CO 0.03 -0.27 0.55 0.93 -1.32 0.00 0.00 178.16 178.08 1u81 h GLU 168 N -0.43 0.52 0.53 1.82 3.07 -1.94 -1.52 114.58 116.63 1u81 h GLU 168 Ca -0.03 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 1u81 h GLU 168 Cb 0.35 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1u81 h GLU 168 CO 0.02 0.35 -0.25 0.78 -1.40 0.00 0.00 179.01 178.50 1u81 h GLY 169 N 0.54 -0.74 0.79 -3.84 0.00 -1.30 -1.76 103.07 96.76 1u81 h GLY 169 Ca 0.63 0.27 0.02 0.00 0.00 0.00 0.00 47.33 48.26 1u81 h GLY 169 CO -0.49 -0.27 0.03 1.41 0.00 0.00 0.00 176.54 177.22 1u81 h LEU 170 N -0.93 -0.00 0.25 3.11 3.38 -0.55 -1.46 115.31 119.10 1u81 h LEU 170 Ca -0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1u81 h LEU 170 Cb 0.62 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1u81 h LEU 170 CO 0.12 0.03 -0.12 -0.78 0.09 0.00 0.00 178.44 177.78 1u81 h ASP 171 N 0.10 -0.29 -0.22 -0.43 3.58 -1.37 -0.99 116.42 116.80 1u81 h ASP 171 Ca 0.08 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.60 1u81 h ASP 171 Cb 0.08 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.14 1u81 h ASP 171 CO -0.11 -0.20 -0.16 -0.25 -2.88 0.00 0.00 179.24 175.64 1u81 h TRP 172 N -0.34 -0.39 0.40 0.28 7.01 -1.19 -0.80 115.95 120.93 1u81 h TRP 172 Ca -0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1u81 h TRP 172 Cb 0.26 0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 1u81 h TRP 172 CO -0.06 -0.23 -0.44 1.25 -2.79 0.00 0.00 178.44 176.18 1u81 h LEU 173 N -0.15 -1.20 -0.44 0.65 5.85 -1.16 0.80 115.31 119.67 1u81 h LEU 173 Ca 0.13 0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.02 1u81 h LEU 173 Cb 0.34 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 1u81 h LEU 173 CO -0.31 -0.58 -0.45 -1.28 -0.34 0.00 0.00 178.44 175.47 1u81 h SER 174 N -0.86 -1.52 0.01 1.25 0.87 -0.80 -0.16 113.55 112.34 1u81 h SER 174 Ca -0.04 0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1u81 h SER 174 Cb 0.77 0.66 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 1u81 h SER 174 CO -0.08 -0.37 -0.09 0.78 -0.53 0.00 0.00 176.83 176.54 1u81 h ASN 175 N -0.32 -0.26 0.12 6.23 2.35 -1.00 -2.34 115.58 120.36 1u81 h ASN 175 Ca 0.13 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1u81 h ASN 175 Cb 0.58 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 1u81 h ASN 175 CO -0.60 -0.13 -0.38 1.56 -1.65 0.00 0.00 177.43 176.22 1u81 h GLN 176 N -0.16 -0.59 -0.15 0.81 1.08 -0.14 0.37 115.11 116.32 1u81 h GLN 176 Ca 0.03 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.32 1u81 h GLN 176 Cb 0.20 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.71 1u81 h GLN 176 CO -0.09 -0.39 -0.16 -0.07 -0.95 0.00 0.00 178.83 177.17 1u81 h LEU 177 N -0.61 -0.51 -0.70 1.46 3.38 -0.98 0.90 115.31 118.25 1u81 h LEU 177 Ca 0.03 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1u81 h LEU 177 Cb 0.64 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1u81 h LEU 177 CO -0.23 -0.21 -0.23 -0.09 0.09 0.00 0.00 178.44 177.77 1u81 h ARG 178 N -0.19 0.76 0.25 1.13 2.43 -1.21 -3.26 114.38 114.29 1u81 h ARG 178 Ca 0.10 -0.31 -0.34 0.00 -0.81 0.00 0.00 59.98 58.63 1u81 h ARG 178 Cb 0.34 -0.03 0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1u81 h ARG 178 CO -0.27 0.92 -1.52 -0.91 -1.51 0.00 0.00 179.97 176.69 1u81 h ASN 179 N 0.66 0.83 -0.97 -3.80 2.35 0.26 -3.34 115.58 111.57 1u81 h ASN 179 Ca 0.09 -0.92 0.14 0.00 -0.55 0.00 0.00 56.30 55.06 1u81 h ASN 179 Cb 0.74 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.76 1u81 h ASN 179 CO 0.06 1.72 0.61 1.56 -1.65 0.00 0.00 177.43 179.73 1u81 h GLN 180 N 0.14 0.83 -0.02 0.81 4.20 0.77 -3.50 115.11 118.35 1u81 h GLN 180 Ca -0.27 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1u81 h GLN 180 Cb 2.17 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1u81 h GLN 180 CO 0.27 0.55 0.00 1.63 -0.67 0.00 0.00 178.83 180.60