#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 2.14 -0.22 3.17 3.52 -1.25 -0.13 118.95 126.17 1u81 s ARG 19 Ca 0.00 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1u81 s ARG 19 Cb 0.00 -1.82 0.07 0.00 -1.56 0.00 0.00 34.95 31.64 1u81 s ARG 19 CO 0.00 0.29 0.02 0.42 -0.81 0.00 0.00 175.30 175.22 1u81 s ILE 20 N -0.01 0.90 -1.12 4.11 1.09 -0.82 -0.57 121.20 124.78 1u81 s ILE 20 Ca -0.05 -0.90 -0.21 0.00 -1.10 0.00 0.00 60.65 58.38 1u81 s ILE 20 Cb -0.13 -1.38 0.02 0.00 -1.06 0.00 0.00 42.46 39.92 1u81 s ILE 20 CO 0.03 -0.25 1.69 -0.76 -0.10 0.00 0.00 174.94 175.55 1u81 s LEU 21 N 1.67 3.51 -0.92 2.97 1.43 -1.26 -4.25 118.68 121.83 1u81 s LEU 21 Ca -0.01 -1.71 -0.25 0.00 -1.03 0.00 0.00 54.13 51.14 1u81 s LEU 21 Cb -0.18 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 1u81 s LEU 21 CO -0.10 -1.79 2.00 -0.32 0.23 0.00 0.00 176.35 176.37 1u81 s MET 22 N 5.23 2.41 0.26 1.70 -2.45 -1.26 -2.71 119.30 122.48 1u81 s MET 22 Ca 0.55 -0.29 -0.08 0.00 -1.25 0.00 0.00 55.69 54.63 1u81 s MET 22 Cb 0.00 -5.05 -0.06 0.00 1.25 0.00 0.00 34.83 30.97 1u81 s MET 22 CO 0.01 -3.60 0.57 0.14 1.05 0.00 0.00 175.02 173.18 1u81 s VAL 23 N 10.85 4.95 0.00 10.11 -7.23 0.35 -4.59 120.40 134.84 1u81 s VAL 23 Ca 0.73 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 61.23 1u81 s VAL 23 Cb -0.07 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1u81 s VAL 23 CO 0.02 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 1u81 n GLY 24 N -0.51 0.60 0.00 2.32 0.00 -1.26 -1.40 105.19 104.92 1u81 n GLY 24 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.63 0.99 4.77 -1.26 -3.79 117.00 113.09 1u81 n LEU 25 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1u81 n LEU 25 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1u81 n LEU 25 CO 0.00 -0.10 0.22 1.51 -1.33 0.00 0.00 177.39 177.69 1u81 s ASP 26 N -1.34 6.44 -0.17 -1.43 1.47 -1.26 -4.06 116.67 116.31 1u81 s ASP 26 Ca 0.00 0.53 0.00 0.00 1.18 0.00 0.00 52.55 54.26 1u81 s ASP 26 Cb 0.00 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.31 1u81 s ASP 26 CO 0.00 -0.25 0.00 0.00 0.68 0.00 0.00 175.17 175.60 1u81 n ALA 27 N 5.34 -0.04 -0.06 2.11 0.00 -1.26 -4.97 120.51 121.63 1u81 n ALA 27 Ca -0.05 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1u81 n ALA 27 Cb 0.50 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 0.04 0.23 0.00 0.00 0.00 -1.92 -3.47 119.26 114.14 1u81 h ALA 28 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1u81 h ALA 28 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u81 h ALA 28 CO 0.05 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1u81 n GLY 29 N 0.18 -0.75 0.42 0.00 0.00 -1.26 -4.60 105.19 99.19 1u81 n GLY 29 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.98 -0.54 1.61 1.57 -1.93 -1.74 116.57 114.56 1u81 h LYS 30 Ca 0.00 0.07 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1u81 h LYS 30 Cb 0.00 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1u81 h LYS 30 CO 0.00 -0.65 0.38 1.15 -0.57 0.00 0.00 179.45 179.76 1u81 h THR 31 N -1.02 0.76 0.31 -0.16 2.02 -1.98 -1.75 112.91 111.08 1u81 h THR 31 Ca -0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1u81 h THR 31 Cb 0.80 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1u81 h THR 31 CO 0.12 0.01 -0.15 0.74 0.37 0.00 0.00 175.52 176.62 1u81 h THR 32 N 0.07 0.00 -0.96 3.16 2.02 -1.91 0.13 112.91 115.42 1u81 h THR 32 Ca 0.26 -0.09 0.28 0.00 0.77 0.00 0.00 66.41 67.62 1u81 h THR 32 Cb 0.93 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.16 1u81 h THR 32 CO -0.02 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.39 1u81 h ILE 33 N -0.50 0.08 -0.46 3.11 2.04 -0.93 0.78 117.51 121.63 1u81 h ILE 33 Ca -0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1u81 h ILE 33 Cb 0.31 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1u81 h ILE 33 CO 0.07 0.01 0.23 -0.07 0.00 0.00 0.00 178.15 178.38 1u81 h LEU 34 N 0.04 0.59 -1.59 1.44 3.38 -1.22 -0.71 115.31 117.24 1u81 h LEU 34 Ca 0.61 -0.12 0.21 0.00 0.09 0.00 0.00 57.88 58.67 1u81 h LEU 34 Cb 1.31 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1u81 h LEU 34 CO -0.85 0.54 0.59 0.22 0.09 0.00 0.00 178.44 179.03 1u81 h TYR 35 N 0.60 0.45 0.01 1.13 3.20 0.34 0.55 116.97 123.25 1u81 h TYR 35 Ca 0.16 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1u81 h TYR 35 Cb 0.10 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1u81 h TYR 35 CO -0.01 0.12 -0.01 0.87 -1.64 0.00 0.00 178.16 177.49 1u81 h LYS 36 N 0.34 -0.02 -0.96 1.82 1.79 -0.65 -3.37 116.57 115.52 1u81 h LYS 36 Ca 0.46 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 59.20 1u81 h LYS 36 Cb 1.23 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.71 1u81 h LYS 36 CO -0.15 -0.01 0.10 -0.07 -1.08 0.00 0.00 179.45 178.23 1u81 h LEU 37 N -0.43 -0.35 -1.43 2.94 3.38 -0.93 -3.45 115.31 115.04 1u81 h LEU 37 Ca -0.00 0.26 -0.44 0.00 0.09 0.00 0.00 57.88 57.79 1u81 h LEU 37 Cb 0.01 0.43 0.02 0.00 0.09 0.00 0.00 40.66 41.22 1u81 h LEU 37 CO 0.00 -0.33 -0.80 0.29 0.09 0.00 0.00 178.44 177.70 1u81 n LYS 38 N -5.43 -5.25 0.00 1.13 5.02 0.16 -4.86 118.16 108.93 1u81 n LYS 38 Ca 0.24 0.62 0.13 0.00 -2.02 0.00 0.00 58.31 57.28 1u81 n LYS 38 Cb 0.78 -5.32 0.78 0.00 -0.02 0.00 0.00 35.03 31.25 1u81 n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u81 n LEU 39 N -4.47 0.00 0.00 -0.35 4.77 -1.26 -4.92 117.00 110.77 1u81 n LEU 39 Ca -0.15 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1u81 n LEU 39 Cb 0.61 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1u81 n LEU 39 CO 0.71 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1u81 n GLY 40 N 0.75 3.47 3.74 -0.72 0.00 -1.26 -4.53 105.19 106.63 1u81 n GLY 40 Ca 0.19 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.23 4.32 -0.70 1.61 2.02 -1.26 -4.94 118.70 117.51 1u81 s GLU 41 Ca 0.00 2.18 -0.26 0.00 0.02 0.00 0.00 54.97 56.91 1u81 s GLU 41 Cb 0.00 -3.16 0.04 0.00 0.10 0.00 0.00 34.13 31.11 1u81 s GLU 41 CO 0.00 -0.37 1.17 0.42 0.02 0.00 0.00 175.26 176.50 1u81 s ILE 42 N 0.25 3.94 -0.91 -1.63 1.01 -1.26 -4.61 121.20 117.99 1u81 s ILE 42 Ca 0.60 0.22 -0.24 0.00 0.00 0.00 0.00 60.65 61.22 1u81 s ILE 42 Cb -0.39 -4.82 -0.00 0.00 0.01 0.00 0.00 42.46 37.25 1u81 s ILE 42 CO 0.39 -1.68 1.71 -0.69 0.00 0.00 0.00 174.94 174.66 1u81 s VAL 43 N 5.13 3.64 -1.34 2.92 1.01 -1.23 -4.86 120.40 125.67 1u81 s VAL 43 Ca 0.32 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1u81 s VAL 43 Cb -0.11 -4.46 0.12 0.00 0.00 0.00 0.00 36.38 31.94 1u81 s VAL 43 CO 0.14 -1.38 2.11 0.41 0.00 0.00 0.00 175.10 176.38 1u81 n THR 44 N 7.34 4.43 -2.58 3.92 -1.04 -1.26 0.41 114.28 125.49 1u81 n THR 44 Ca 0.33 -4.08 -0.24 0.00 -2.04 0.00 0.00 64.05 58.02 1u81 n THR 44 Cb 0.49 -2.35 0.12 0.00 -1.82 0.00 0.00 70.33 66.77 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 0.52 2.06 -0.53 12.58 -4.23 -1.02 -4.88 115.64 120.15 1u81 s THR 45 Ca 0.46 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1u81 s THR 45 Cb 0.13 -2.48 0.14 0.00 1.34 0.00 0.00 72.50 71.63 1u81 s THR 45 CO -0.03 0.00 0.31 -0.63 -0.54 0.00 0.00 174.62 173.72 1u81 s ILE 46 N -3.19 3.18 0.01 2.99 1.01 -1.26 -1.49 121.20 122.45 1u81 s ILE 46 Ca 0.68 -2.83 -0.05 0.00 0.00 0.00 0.00 60.65 58.44 1u81 s ILE 46 Cb -0.04 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1u81 s ILE 46 CO 0.45 -0.79 0.94 -0.65 0.00 0.00 0.00 174.94 174.89 1u81 h PRO 47 N 7.13 -0.18 -5.57 2.79 0.11 -1.86 -3.43 132.00 130.99 1u81 h PRO 47 Ca -0.06 0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.47 1u81 h PRO 47 Cb 0.96 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.02 1u81 h PRO 47 CO 0.68 -0.12 -0.30 0.95 -0.21 0.00 0.00 178.00 179.01 1u81 s THR 48 N -3.14 5.28 -0.31 -1.15 -4.23 -1.22 -4.95 115.64 105.92 1u81 s THR 48 Ca -0.03 0.61 -0.22 0.00 -1.18 0.00 0.00 61.69 60.87 1u81 s THR 48 Cb 0.00 -3.65 -0.10 0.00 1.34 0.00 0.00 72.50 70.09 1u81 s THR 48 CO 0.08 0.41 1.18 -0.38 -0.54 0.00 0.00 174.62 175.36 1u81 n ILE 49 N 3.39 0.00 0.00 2.99 -0.00 -1.26 0.88 119.36 125.35 1u81 n ILE 49 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1u81 n ILE 49 Cb 0.52 -0.26 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 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 3.83 2.85 3.60 7.39 0.00 -1.26 -4.82 105.19 116.77 1u81 n GLY 50 Ca 0.30 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.71 2.98 0.05 1.61 5.36 0.25 -5.02 117.98 122.51 1u81 s PHE 51 Ca 0.00 0.74 -0.23 0.00 -0.96 0.00 0.00 56.93 56.49 1u81 s PHE 51 Cb 0.00 -3.94 -0.06 0.00 -0.34 0.00 0.00 43.02 38.68 1u81 s PHE 51 CO 0.00 -1.00 0.67 -0.80 -1.46 0.00 0.00 175.22 172.64 1u81 s ASN 52 N 2.09 7.13 -0.03 6.13 -0.87 -1.26 -3.10 114.94 125.02 1u81 s ASN 52 Ca 0.42 1.34 0.02 0.00 -1.57 0.00 0.00 52.86 53.07 1u81 s ASN 52 Cb -0.10 -2.42 0.01 0.00 -0.02 0.00 0.00 41.25 38.72 1u81 s ASN 52 CO 0.23 0.12 -0.09 -0.69 -2.57 0.00 0.00 177.10 174.10 1u81 s VAL 53 N -0.43 0.80 -0.90 1.60 1.01 -0.55 -4.64 120.40 117.30 1u81 s VAL 53 Ca 0.34 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 1u81 s VAL 53 Cb -0.20 -0.72 0.18 0.00 0.00 0.00 0.00 36.38 35.63 1u81 s VAL 53 CO 0.21 0.26 0.97 -1.61 0.00 0.00 0.00 175.10 174.92 1u81 s GLU 54 N 0.32 3.63 -0.35 2.72 2.02 -1.24 -2.44 118.70 123.38 1u81 s GLU 54 Ca -0.05 -2.15 -0.20 0.00 0.02 0.00 0.00 54.97 52.59 1u81 s GLU 54 Cb -0.10 -4.69 -0.20 0.00 0.10 0.00 0.00 34.13 29.24 1u81 s GLU 54 CO 0.01 -1.54 1.65 2.41 0.02 0.00 0.00 175.26 177.81 1u81 n THR 55 N 4.69 0.85 -0.98 3.63 -1.04 0.17 -2.68 114.28 118.91 1u81 n THR 55 Ca 0.20 -0.66 -0.31 0.00 -2.04 0.00 0.00 64.05 61.24 1u81 n THR 55 Cb 0.48 -2.02 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 1u81 n THR 55 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1u81 n VAL 56 N 6.00 2.56 -3.92 12.58 0.31 -0.92 -3.51 118.33 131.42 1u81 n VAL 56 Ca 0.39 -1.73 -0.31 0.00 -0.01 0.00 0.00 64.34 62.69 1u81 n VAL 56 Cb 0.30 -2.27 -0.15 0.00 -0.91 0.00 0.00 33.84 30.81 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 3.67 1.34 -0.50 5.55 2.02 -1.26 -0.23 118.70 129.28 1u81 s GLU 57 Ca 0.48 -1.40 -0.14 0.00 0.02 0.00 0.00 54.97 53.93 1u81 s GLU 57 Cb 0.12 -2.69 0.11 0.00 0.10 0.00 0.00 34.13 31.77 1u81 s GLU 57 CO -0.00 -0.85 0.43 -0.47 0.02 0.00 0.00 175.26 174.39 1u81 s TYR 58 N 1.24 3.29 0.00 1.61 5.04 0.21 -4.89 117.35 123.85 1u81 s TYR 58 Ca 0.05 -1.33 0.00 0.00 -2.44 0.00 0.00 57.07 53.35 1u81 s TYR 58 Cb -0.19 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.60 1u81 s TYR 58 CO -0.12 -0.95 0.00 1.63 -1.34 0.00 0.00 175.55 174.77 1u81 n LYS 59 N 5.15 0.00 0.01 4.97 5.02 -1.26 -0.36 118.16 131.69 1u81 n LYS 59 Ca -0.12 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.11 1u81 n LYS 59 Cb 0.41 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.31 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 0.00 0.00 -3.53 4.39 -1.07 -1.96 -3.46 115.58 109.96 1u81 h ASN 60 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.85 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 0.87 0.32 -0.63 0.07 0.00 0.00 177.43 178.06 1u81 s ILE 61 N -2.72 4.58 -0.12 6.14 1.01 0.51 0.25 121.20 130.85 1u81 s ILE 61 Ca -0.03 1.98 -0.03 0.00 0.00 0.00 0.00 60.65 62.56 1u81 s ILE 61 Cb 0.08 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.32 1u81 s ILE 61 CO 0.82 0.32 0.06 -0.44 0.00 0.00 0.00 174.94 175.69 1u81 s SER 62 N 0.06 1.97 -0.39 3.58 0.01 0.81 0.67 113.70 120.42 1u81 s SER 62 Ca 0.45 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1u81 s SER 62 Cb -0.23 -0.29 0.12 0.00 0.21 0.00 0.00 66.02 65.84 1u81 s SER 62 CO 0.28 -0.29 0.18 -0.36 0.41 0.00 0.00 173.24 173.45 1u81 s PHE 63 N 2.09 1.99 -0.98 2.43 0.40 0.68 -1.95 117.98 122.63 1u81 s PHE 63 Ca 0.03 -2.21 -0.24 0.00 -0.60 0.00 0.00 56.93 53.91 1u81 s PHE 63 Cb -0.14 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.54 1u81 s PHE 63 CO -0.07 -0.83 1.44 0.99 0.70 0.00 0.00 175.22 177.45 1u81 s THR 64 N 0.85 3.88 0.85 0.64 2.01 -1.26 -2.18 115.64 120.43 1u81 s THR 64 Ca 0.14 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 1u81 s THR 64 Cb -0.22 -5.02 0.11 0.00 0.01 0.00 0.00 72.50 67.38 1u81 s THR 64 CO -0.09 -1.91 1.19 -0.69 -0.69 0.00 0.00 174.62 172.43 1u81 s VAL 65 N 5.18 1.99 -5.00 3.82 1.01 -1.09 -4.42 120.40 121.89 1u81 s VAL 65 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1u81 s VAL 65 Cb -0.01 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1u81 s VAL 65 CO -0.06 0.00 0.00 -2.67 0.00 0.00 0.00 175.10 172.37 1u81 n TRP 66 N -3.47 0.00 -4.34 5.22 2.14 -1.26 -3.62 117.44 112.12 1u81 n TRP 66 Ca 0.09 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.38 1u81 n TRP 66 Cb 0.60 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.04 1u81 n TRP 66 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1u81 s ASP 67 N -0.16 4.29 0.62 -0.67 1.01 -1.26 -4.38 116.67 116.12 1u81 s ASP 67 Ca 0.00 -1.31 -0.02 0.00 0.71 0.00 0.00 52.55 51.93 1u81 s ASP 67 Cb 0.00 -0.04 0.05 0.00 1.01 0.00 0.00 42.92 43.94 1u81 s ASP 67 CO 0.00 -0.71 0.88 0.68 0.21 0.00 0.00 175.17 176.22 1u81 s VAL 68 N -2.72 2.50 0.00 -1.27 -7.23 -1.25 -4.98 120.40 105.45 1u81 s VAL 68 Ca 0.29 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 1u81 s VAL 68 Cb 0.03 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1u81 s VAL 68 CO 0.16 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1u81 n GLY 69 N -2.58 -0.79 5.28 2.32 0.00 -1.26 -4.99 105.19 103.16 1u81 n GLY 69 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.79 2.68 -0.02 0.00 -1.26 -2.36 105.19 105.03 1u81 n GLY 70 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 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 0.45 0.00 1.61 7.27 -1.26 -5.09 117.38 120.36 1u81 n GLN 71 Ca 0.00 -1.09 0.00 0.00 0.07 0.00 0.00 57.00 55.98 1u81 n GLN 71 Cb 0.00 -0.29 0.00 0.00 2.41 0.00 0.00 30.24 32.36 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 0.11 0.00 -3.83 1.69 5.75 -0.99 -2.62 116.55 116.67 1u81 n ASP 72 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.28 1u81 n ASP 72 Cb 0.73 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.83 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 11.72 4.03 -3.46 0.11 4.81 -1.26 -4.74 118.16 129.36 1u81 n LYS 73 Ca 0.00 -3.78 -0.16 0.00 -0.87 0.00 0.00 58.31 53.50 1u81 n LYS 73 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.28 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 2.52 -6.27 -3.78 3.15 3.06 -1.12 -5.03 119.36 111.89 1u81 n ILE 74 Ca 0.40 -0.04 -0.24 0.00 -2.50 0.00 0.00 62.75 60.37 1u81 n ILE 74 Cb 0.33 -4.66 -0.17 0.00 0.54 0.00 0.00 39.64 35.68 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 -3.94 0.68 0.00 9.51 6.06 -1.08 -5.03 118.95 125.16 1u81 s ARG 75 Ca 0.04 0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.30 1u81 s ARG 75 Cb -0.01 -1.14 0.00 0.00 0.06 0.00 0.00 34.95 33.86 1u81 s ARG 75 CO 0.84 -0.34 0.21 -2.30 -2.50 0.00 0.00 175.30 171.21 1u81 n PRO 76 N 5.12 0.35 -0.01 5.12 -0.02 -1.26 -3.80 135.00 140.50 1u81 n PRO 76 Ca -0.08 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.23 1u81 n PRO 76 Cb 0.50 -1.21 -0.07 0.00 -0.02 0.00 0.00 33.50 32.70 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 0.85 0.92 -0.55 2.45 -0.00 -1.95 -3.14 115.31 113.89 1u81 h LEU 77 Ca 0.00 -0.62 0.11 0.00 -0.00 0.00 0.00 57.88 57.37 1u81 h LEU 77 Cb 0.21 -0.27 -0.10 0.00 -0.00 0.00 0.00 40.66 40.49 1u81 h LEU 77 CO 0.00 1.42 -0.12 -0.50 -0.00 0.00 0.00 178.44 179.24 1u81 h TRP 78 N 0.51 -0.25 -0.64 0.17 4.06 -1.95 0.07 115.95 117.93 1u81 h TRP 78 Ca -0.06 0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1u81 h TRP 78 Cb 1.44 0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 29.77 1u81 h TRP 78 CO 0.09 -0.22 0.35 0.00 -3.56 0.00 0.00 178.44 175.10 1u81 h ARG 79 N 0.02 0.88 -0.12 0.49 -0.00 -1.87 -1.43 114.38 112.35 1u81 h ARG 79 Ca 0.27 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.98 59.64 1u81 h ARG 79 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 1u81 h ARG 79 CO -0.55 0.67 0.05 0.45 0.00 0.00 0.00 179.97 180.58 1u81 h HIS 80 N 0.87 0.16 -0.06 3.04 3.86 -1.01 -0.79 115.15 121.22 1u81 h HIS 80 Ca 0.22 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 1u81 h HIS 80 Cb 0.04 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1u81 h HIS 80 CO -0.01 0.13 -0.30 1.88 0.86 0.00 0.00 177.93 180.49 1u81 h TYR 81 N 0.17 0.43 -0.31 2.45 0.05 -0.35 -3.21 116.97 116.20 1u81 h TYR 81 Ca 0.04 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.67 1u81 h TYR 81 Cb 0.04 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1u81 h TYR 81 CO 0.00 0.92 0.21 0.74 -1.05 0.00 0.00 178.16 178.98 1u81 h PHE 82 N -0.18 0.29 -0.59 4.88 0.04 -0.53 -2.86 116.94 117.99 1u81 h PHE 82 Ca -0.02 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.80 1u81 h PHE 82 Cb 0.96 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 1u81 h PHE 82 CO 0.13 0.17 0.39 1.96 -0.60 0.00 0.00 178.31 180.36 1u81 h GLN 83 N 0.30 0.62 -0.23 1.51 4.20 -1.17 -3.10 115.11 117.24 1u81 h GLN 83 Ca 0.13 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 1u81 h GLN 83 Cb 0.14 -0.14 -0.13 0.00 0.30 0.00 0.00 27.48 27.65 1u81 h GLN 83 CO -0.03 0.41 -0.60 0.27 -0.67 0.00 0.00 178.83 178.21 1u81 n ASN 84 N -4.47 2.67 -4.89 1.46 6.94 -1.08 -5.03 115.26 110.86 1u81 n ASN 84 Ca 0.07 -3.84 -0.35 0.00 -0.02 0.00 0.00 54.58 50.45 1u81 n ASN 84 Cb 0.18 -0.47 -0.05 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 -3.63 5.35 -0.04 5.53 2.01 -1.17 -4.75 115.64 118.94 1u81 s THR 85 Ca 0.42 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.57 1u81 s THR 85 Cb 0.38 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 1u81 s THR 85 CO -0.04 0.39 0.08 0.00 -0.69 0.00 0.00 174.62 174.36 1u81 n GLN 86 N 1.18 1.37 -2.63 4.92 1.13 -0.80 -4.90 117.38 117.65 1u81 n GLN 86 Ca -0.12 -0.02 -0.15 0.00 -1.94 0.00 0.00 57.00 54.76 1u81 n GLN 86 Cb 0.53 -0.98 0.03 0.00 0.11 0.00 0.00 30.24 29.93 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 2.05 2.22 2.77 1.08 0.00 0.27 -4.54 105.19 109.02 1u81 n GLY 87 Ca -0.00 -2.22 0.02 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.18 -0.40 0.99 2.96 -1.25 -4.12 118.68 116.67 1u81 s LEU 88 Ca 0.37 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 1u81 s LEU 88 Cb -0.03 0.33 0.10 0.00 0.50 0.00 0.00 46.19 47.10 1u81 s LEU 88 CO 0.23 -0.02 0.20 -0.63 -1.32 0.00 0.00 176.35 174.81 1u81 s ILE 89 N 2.10 3.44 -0.92 6.68 1.01 -1.10 0.96 121.20 133.38 1u81 s ILE 89 Ca 0.16 -1.89 -0.12 0.00 0.00 0.00 0.00 60.65 58.79 1u81 s ILE 89 Cb 0.03 -3.29 0.24 0.00 0.01 0.00 0.00 42.46 39.46 1u81 s ILE 89 CO -0.17 -0.62 0.88 0.12 0.00 0.00 0.00 174.94 175.15 1u81 s PHE 90 N 1.20 3.94 -0.32 3.97 5.36 0.96 0.13 117.98 133.21 1u81 s PHE 90 Ca 0.06 -2.23 -0.29 0.00 -0.96 0.00 0.00 56.93 53.51 1u81 s PHE 90 Cb -0.23 -3.83 -0.00 0.00 -0.34 0.00 0.00 43.02 38.62 1u81 s PHE 90 CO -0.03 -0.98 1.45 0.08 -1.46 0.00 0.00 175.22 174.29 1u81 s VAL 91 N -0.31 3.90 -0.53 3.12 1.01 -0.50 -2.03 120.40 125.06 1u81 s VAL 91 Ca 0.22 0.98 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 1u81 s VAL 91 Cb -0.10 -4.03 0.13 0.00 0.00 0.00 0.00 36.38 32.38 1u81 s VAL 91 CO -0.09 -0.53 0.43 -0.69 0.00 0.00 0.00 175.10 174.23 1u81 s VAL 92 N 5.14 4.65 -0.82 2.92 1.01 -0.46 -4.38 120.40 128.47 1u81 s VAL 92 Ca 0.63 -1.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 1u81 s VAL 92 Cb -0.18 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 1u81 s VAL 92 CO 0.29 -0.83 2.09 -0.67 0.00 0.00 0.00 175.10 175.97 1u81 n ASP 93 N 4.92 -0.35 0.26 3.32 -0.08 -1.26 -4.07 116.55 119.28 1u81 n ASP 93 Ca -0.08 -1.09 0.17 0.00 -1.51 0.00 0.00 54.79 52.29 1u81 n ASP 93 Cb 0.41 -0.97 0.83 0.00 2.34 0.00 0.00 41.12 43.73 1u81 n ASP 93 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1u81 h SER 94 N 11.31 0.00 0.00 1.67 0.02 -1.39 -2.99 113.55 122.18 1u81 h SER 94 Ca 0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1u81 h SER 94 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1u81 h SER 94 CO 1.32 0.00 -0.44 -1.13 -1.14 0.00 0.00 176.83 175.43 1u81 h ASN 95 N 0.00 0.00 -0.16 3.07 -1.24 -1.67 -3.42 115.58 112.16 1u81 h ASN 95 Ca 0.06 -0.39 -0.30 0.00 0.71 0.00 0.00 56.30 56.38 1u81 h ASN 95 Cb 0.70 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.66 1u81 h ASN 95 CO -0.00 0.95 1.50 -0.67 -1.29 0.00 0.00 177.43 177.92 1u81 n ASP 96 N -4.61 -0.28 -0.87 1.15 -0.08 -1.13 -3.85 116.55 106.89 1u81 n ASP 96 Ca -0.13 -0.68 0.10 0.00 -1.51 0.00 0.00 54.79 52.58 1u81 n ASP 96 Cb 0.36 -0.90 0.12 0.00 2.34 0.00 0.00 41.12 43.04 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 6.85 1.97 -0.01 -0.67 1.85 -1.26 -3.63 116.66 121.76 1u81 n ARG 97 Ca 0.61 -1.84 -0.22 0.00 -1.00 0.00 0.00 57.85 55.41 1u81 n ARG 97 Cb 0.22 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.08 1u81 n ARG 97 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1u81 h GLU 98 N 3.94 0.23 -0.09 2.89 3.07 -1.99 -3.39 114.58 119.23 1u81 h GLU 98 Ca 0.00 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1u81 h GLU 98 Cb 0.86 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1u81 h GLU 98 CO 0.00 1.19 0.00 0.54 -1.40 0.00 0.00 179.01 179.34 1u81 n ARG 99 N -3.78 2.39 -0.63 2.33 1.74 -1.26 -4.68 116.66 112.77 1u81 n ARG 99 Ca -0.29 -2.16 0.48 0.00 -0.77 0.00 0.00 57.85 55.10 1u81 n ARG 99 Cb 0.95 -1.34 0.73 0.00 -1.02 0.00 0.00 32.46 31.78 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 -0.66 0.00 -0.04 1.55 3.14 -1.24 0.19 118.33 121.27 1u81 n VAL 100 Ca 0.10 1.35 -0.02 0.00 -2.96 0.00 0.00 64.34 62.82 1u81 n VAL 100 Cb 0.51 -2.25 0.24 0.00 -1.06 0.00 0.00 33.84 31.28 1u81 n VAL 100 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1u81 h ASN 101 N 0.00 0.59 -0.97 6.55 -1.07 -1.91 -2.53 115.58 116.23 1u81 h ASN 101 Ca 0.84 -0.12 0.22 0.00 0.07 0.00 0.00 56.30 57.31 1u81 h ASN 101 Cb 3.42 -0.16 -0.08 0.00 -2.07 0.00 0.00 38.32 39.43 1u81 h ASN 101 CO -0.01 0.66 0.63 -0.08 0.07 0.00 0.00 177.43 178.70 1u81 h GLU 102 N 0.60 0.47 0.41 4.14 4.81 0.17 -1.51 114.58 123.66 1u81 h GLU 102 Ca 0.12 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1u81 h GLU 102 Cb 0.37 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1u81 h GLU 102 CO 0.01 0.31 -0.19 0.00 -0.73 0.00 0.00 179.01 178.41 1u81 h ALA 103 N 1.62 -0.84 -1.42 2.92 0.00 -1.56 -2.89 119.26 117.09 1u81 h ALA 103 Ca 0.54 -0.12 0.44 0.00 0.00 0.00 0.00 54.91 55.76 1u81 h ALA 103 Cb 1.23 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1u81 h ALA 103 CO -0.26 -0.80 0.99 -2.13 0.00 0.00 0.00 179.25 177.04 1u81 n ARG 104 N -3.95 -0.01 0.26 0.00 0.63 -0.73 -0.65 116.66 112.21 1u81 n ARG 104 Ca -0.07 0.94 -0.12 0.00 -0.92 0.00 0.00 57.85 57.68 1u81 n ARG 104 Cb 0.21 -2.03 -0.06 0.00 0.45 0.00 0.00 32.46 31.03 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 -0.67 0.59 -0.14 4.39 -1.10 -1.97 114.58 115.67 1u81 h GLU 105 Ca 0.75 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.47 1u81 h GLU 105 Cb 2.78 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 31.58 1u81 h GLU 105 CO -0.16 -0.40 -0.33 0.93 -1.16 0.00 0.00 179.01 177.89 1u81 h GLU 106 N -1.13 -0.82 -0.70 2.33 4.39 -0.82 -2.98 114.58 114.85 1u81 h GLU 106 Ca -0.07 0.06 0.29 0.00 0.34 0.00 0.00 59.36 59.97 1u81 h GLU 106 Cb 0.58 0.19 -0.13 0.00 -0.10 0.00 0.00 28.75 29.29 1u81 h GLU 106 CO 0.12 -0.55 0.36 -0.11 -1.16 0.00 0.00 179.01 177.67 1u81 n LEU 107 N -4.44 0.23 -0.32 1.33 7.94 0.18 -0.48 117.00 121.43 1u81 n LEU 107 Ca -0.10 1.16 0.18 0.00 -1.11 0.00 0.00 56.01 56.14 1u81 n LEU 107 Cb 0.35 -0.56 0.35 0.00 0.53 0.00 0.00 43.42 44.09 1u81 n LEU 107 CO 0.25 -1.29 0.82 0.23 -1.11 0.00 0.00 177.39 176.29 1u81 n MET 108 N -4.59 -0.07 -0.07 1.96 2.81 -0.74 -1.70 117.12 114.72 1u81 n MET 108 Ca 0.26 1.39 -0.10 0.00 -1.81 0.00 0.00 57.70 57.44 1u81 n MET 108 Cb 0.88 -2.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.03 1u81 n MET 108 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u81 h ARG 109 N 0.00 0.00 -0.67 0.03 -0.00 -0.97 -3.31 114.38 109.46 1u81 h ARG 109 Ca 0.64 0.00 0.19 0.00 -0.50 0.00 0.00 59.98 60.31 1u81 h ARG 109 Cb 1.44 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.38 1u81 h ARG 109 CO -0.85 0.64 0.84 0.52 0.00 0.00 0.00 179.97 181.13 1u81 h MET 110 N -1.00 0.00 0.14 0.04 2.86 -1.43 -0.47 114.93 115.07 1u81 h MET 110 Ca -0.03 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1u81 h MET 110 Cb 0.70 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1u81 h MET 110 CO -0.02 0.00 -0.42 -0.07 1.06 0.00 0.00 176.91 177.46 1u81 h LEU 111 N 0.00 -1.24 0.19 1.22 3.38 -1.42 -3.26 115.31 114.18 1u81 h LEU 111 Ca 0.32 0.14 -0.34 0.00 0.09 0.00 0.00 57.88 58.08 1u81 h LEU 111 Cb 2.00 0.46 0.01 0.00 0.09 0.00 0.00 40.66 43.22 1u81 h LEU 111 CO -0.00 -0.50 -1.67 0.00 0.09 0.00 0.00 178.44 176.36 1u81 h ALA 112 N -0.20 0.11 -0.12 1.53 0.00 -1.32 -3.48 119.26 115.76 1u81 h ALA 112 Ca 0.02 -1.09 -0.13 0.00 0.00 0.00 0.00 54.91 53.70 1u81 h ALA 112 Cb 0.69 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1u81 h ALA 112 CO -0.23 0.95 0.13 0.39 0.00 0.00 0.00 179.25 180.48 1u81 n GLU 113 N -3.65 0.00 -0.01 0.00 -0.58 -0.87 -4.88 120.64 110.64 1u81 n GLU 113 Ca -0.24 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.37 1u81 n GLU 113 Cb 1.06 -0.23 -0.10 0.00 -0.57 0.00 0.00 31.44 31.60 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 0.89 -0.01 -1.28 1.62 5.19 -1.93 -3.25 116.42 117.66 1u81 h ASP 114 Ca -0.06 -0.50 0.44 0.00 -0.62 0.00 0.00 57.03 56.30 1u81 h ASP 114 Cb 0.21 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.58 1u81 h ASP 114 CO 0.15 0.50 0.80 -0.33 -3.12 0.00 0.00 179.24 177.25 1u81 h GLU 115 N -0.53 0.05 -1.83 3.56 4.39 -1.90 -0.16 114.58 118.16 1u81 h GLU 115 Ca -0.00 -0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.01 1u81 h GLU 115 Cb 0.51 -0.01 -0.34 0.00 -0.10 0.00 0.00 28.75 28.81 1u81 h GLU 115 CO 0.00 0.03 0.21 1.28 -1.16 0.00 0.00 179.01 179.37 1u81 n LEU 116 N -4.82 6.16 0.00 1.33 4.77 -1.22 -4.80 117.00 118.41 1u81 n LEU 116 Ca 0.38 -5.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.28 1u81 n LEU 116 Cb 1.44 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1u81 n LEU 116 CO 0.16 2.02 0.12 0.54 -1.33 0.00 0.00 177.39 178.89 1u81 n ARG 117 N -0.47 0.00 -0.17 3.23 5.12 -0.07 -4.42 116.66 119.88 1u81 n ARG 117 Ca 0.46 0.15 -0.05 0.00 -1.93 0.00 0.00 57.85 56.48 1u81 n ARG 117 Cb 0.42 -0.83 0.04 0.00 -1.16 0.00 0.00 32.46 30.94 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 0.43 0.00 0.55 2.03 -1.88 -3.41 116.42 114.13 1u81 h ASP 118 Ca 0.00 0.02 -0.36 0.00 -0.73 0.00 0.00 57.03 55.95 1u81 h ASP 118 Cb 0.00 -0.07 -0.04 0.00 -0.83 0.00 0.00 39.33 38.39 1u81 h ASP 118 CO 0.00 0.30 0.91 0.00 -1.03 0.00 0.00 179.24 179.42 1u81 n ALA 119 N -2.30 0.15 -1.87 4.15 0.00 -1.26 -4.75 120.51 114.64 1u81 n ALA 119 Ca 0.04 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1u81 n ALA 119 Cb 0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 4.47 3.35 -0.20 0.00 1.01 -1.26 -4.81 120.40 122.96 1u81 s VAL 120 Ca 0.75 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1u81 s VAL 120 Cb -0.80 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1u81 s VAL 120 CO 0.33 -0.07 1.40 -0.22 0.00 0.00 0.00 175.10 176.54 1u81 s LEU 121 N 4.79 4.06 -0.71 3.92 2.96 -0.56 -3.81 118.68 129.32 1u81 s LEU 121 Ca 0.81 1.62 -0.12 0.00 -0.22 0.00 0.00 54.13 56.22 1u81 s LEU 121 Cb -0.35 -3.54 0.18 0.00 0.50 0.00 0.00 46.19 42.99 1u81 s LEU 121 CO 0.34 -0.98 0.62 -0.22 -1.32 0.00 0.00 176.35 174.80 1u81 s LEU 122 N 4.17 6.29 -1.11 -0.68 2.96 0.27 -0.51 118.68 130.07 1u81 s LEU 122 Ca 0.61 -2.50 -0.21 0.00 -0.22 0.00 0.00 54.13 51.81 1u81 s LEU 122 Cb -0.23 -2.12 0.05 0.00 0.50 0.00 0.00 46.19 44.39 1u81 s LEU 122 CO 0.22 -0.59 1.57 -0.69 -1.32 0.00 0.00 176.35 175.54 1u81 s VAL 123 N 0.47 3.97 -0.83 1.68 1.01 0.67 -0.03 120.40 127.33 1u81 s VAL 123 Ca 0.14 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 1u81 s VAL 123 Cb -0.17 -5.07 0.01 0.00 0.00 0.00 0.00 36.38 31.16 1u81 s VAL 123 CO -0.05 -1.92 1.58 -0.36 0.00 0.00 0.00 175.10 174.35 1u81 s PHE 124 N 4.99 2.14 -1.19 5.22 0.08 -0.86 -3.98 117.98 124.38 1u81 s PHE 124 Ca 0.50 0.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.47 1u81 s PHE 124 Cb 0.01 -4.43 0.22 0.00 -0.57 0.00 0.00 43.02 38.26 1u81 s PHE 124 CO -0.03 -2.01 1.57 0.00 -0.10 0.00 0.00 175.22 174.64 1u81 n ALA 125 N 10.83 4.86 -2.50 5.36 0.00 -1.25 -1.35 120.51 136.45 1u81 n ALA 125 Ca 0.23 -4.49 -0.27 0.00 0.00 0.00 0.00 53.44 48.91 1u81 n ALA 125 Cb 0.50 -2.74 -0.02 0.00 0.00 0.00 0.00 19.45 17.19 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 0.57 6.35 0.00 0.00 2.47 -1.24 -3.66 114.94 119.42 1u81 s ASN 126 Ca 0.37 0.68 0.00 0.00 0.42 0.00 0.00 52.86 54.32 1u81 s ASN 126 Cb 0.03 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 1u81 s ASN 126 CO 0.02 -0.33 0.00 0.29 -3.72 0.00 0.00 177.10 173.36 1u81 n LYS 127 N -1.57 0.00 0.08 0.43 5.02 -1.26 -1.25 118.16 119.60 1u81 n LYS 127 Ca -0.02 0.20 -0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1u81 n LYS 127 Cb 0.55 -3.56 -0.02 0.00 -0.02 0.00 0.00 35.03 31.98 1u81 n LYS 127 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1u81 h GLN 128 N 0.00 -0.26 -0.10 1.97 -0.00 -1.85 -2.74 115.11 112.13 1u81 h GLN 128 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1u81 h GLN 128 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.10 1u81 h GLN 128 CO 0.00 -0.17 0.00 -0.40 0.00 0.00 0.00 178.83 178.26 1u81 n ASP 129 N -4.30 0.10 -4.74 -0.69 5.75 -1.26 -4.76 116.55 106.66 1u81 n ASP 129 Ca -0.03 -0.42 -0.41 0.00 -0.01 0.00 0.00 54.79 53.92 1u81 n ASP 129 Cb 0.10 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 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 -0.51 4.52 0.44 -2.12 1.43 -1.25 -4.96 118.68 116.24 1u81 s LEU 130 Ca 0.00 1.93 0.18 0.00 -1.03 0.00 0.00 54.13 55.20 1u81 s LEU 130 Cb 0.00 -3.60 1.11 0.00 0.03 0.00 0.00 46.19 43.73 1u81 s LEU 130 CO 0.00 -0.08 1.92 -0.65 0.23 0.00 0.00 176.35 177.76 1u81 h PRO 131 N 5.16 0.35 0.44 1.29 0.11 -1.93 -2.76 132.00 134.65 1u81 h PRO 131 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1u81 h PRO 131 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u81 h PRO 131 CO 0.71 0.23 -0.21 -0.97 -0.21 0.00 0.00 178.00 177.55 1u81 h ASN 132 N 0.36 -0.50 -1.26 -2.05 -1.24 -1.93 -3.47 115.58 105.49 1u81 h ASN 132 Ca 0.38 0.02 -0.36 0.00 0.71 0.00 0.00 56.30 57.04 1u81 h ASN 132 Cb 0.95 0.13 0.13 0.00 0.73 0.00 0.00 38.32 40.26 1u81 h ASN 132 CO -0.11 -0.19 -0.97 0.00 -1.29 0.00 0.00 177.43 174.87 1u81 n ALA 133 N -2.55 -3.51 -0.61 1.57 0.00 -1.04 -4.85 120.51 109.51 1u81 n ALA 133 Ca -0.07 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1u81 n ALA 133 Cb 0.23 -0.80 0.20 0.00 0.00 0.00 0.00 19.45 19.09 1u81 n ALA 133 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1u81 n MET 134 N 1.28 -1.34 -0.61 0.00 2.81 -1.26 -4.93 117.12 113.07 1u81 n MET 134 Ca 0.02 -0.35 -0.31 0.00 -1.81 0.00 0.00 57.70 55.25 1u81 n MET 134 Cb 0.33 -2.15 0.20 0.00 -0.71 0.00 0.00 33.22 30.89 1u81 n MET 134 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1u81 n ASN 135 N -3.82 -2.21 -0.15 7.83 0.23 -1.26 -4.71 115.26 111.17 1u81 n ASN 135 Ca 0.07 -0.14 -0.03 0.00 -0.53 0.00 0.00 54.58 53.94 1u81 n ASN 135 Cb 0.54 -1.05 0.05 0.00 -2.08 0.00 0.00 39.78 37.25 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 -2.28 0.46 0.53 -2.53 0.00 -1.93 -2.92 119.26 110.60 1u81 h ALA 136 Ca -0.57 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1u81 h ALA 136 Cb 1.35 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1u81 h ALA 136 CO 0.42 -0.37 -0.25 0.00 0.00 0.00 0.00 179.25 179.04 1u81 h ALA 137 N 1.41 -0.78 0.00 0.00 0.00 -2.03 -3.04 119.26 114.82 1u81 h ALA 137 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u81 h ALA 137 Cb 0.34 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1u81 h ALA 137 CO -0.37 -0.73 0.00 -0.85 0.00 0.00 0.00 179.25 177.30 1u81 n GLU 138 N -4.92 0.00 0.01 0.00 0.28 -1.23 -2.08 120.64 112.70 1u81 n GLU 138 Ca -0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.79 1u81 n GLU 138 Cb 0.28 -1.47 -0.07 0.00 1.43 0.00 0.00 31.44 31.61 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 1.11 0.00 3.84 1.08 -1.38 -2.70 117.51 119.46 1u81 h ILE 139 Ca 0.00 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1u81 h ILE 139 Cb 0.00 1.26 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1u81 h ILE 139 CO 0.00 0.09 -0.05 0.74 -0.69 0.00 0.00 178.15 178.24 1u81 h THR 140 N -0.08 0.09 0.00 -0.27 2.02 -1.61 -3.36 112.91 109.70 1u81 h THR 140 Ca 0.01 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1u81 h THR 140 Cb 0.13 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1u81 h THR 140 CO -0.00 0.05 0.00 -0.67 0.37 0.00 0.00 175.52 175.27 1u81 n ASP 141 N -3.12 0.00 0.00 4.18 2.03 -1.03 -1.86 116.55 116.75 1u81 n ASP 141 Ca 0.03 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1u81 n ASP 141 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.47 0.00 -0.10 -0.67 4.76 -1.15 0.18 118.16 120.70 1u81 n LYS 142 Ca 0.00 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 1u81 n LYS 142 Cb 0.00 -1.93 -0.11 0.00 -1.84 0.00 0.00 35.03 31.15 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 0.00 0.00 -0.35 3.38 -1.62 -3.48 115.31 113.24 1u81 h LEU 143 Ca 0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1u81 h LEU 143 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1u81 h LEU 143 CO 0.00 1.45 0.00 0.61 0.09 0.00 0.00 178.44 180.59 1u81 n GLY 144 N 1.45 0.75 0.22 0.83 0.00 0.13 -4.92 105.19 103.64 1u81 n GLY 144 Ca -0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 0.64 -0.02 0.99 4.77 -1.26 -1.86 117.00 120.26 1u81 n LEU 145 Ca 0.00 -0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 55.51 1u81 n LEU 145 Cb 0.00 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1u81 n LEU 145 CO 0.00 0.15 -0.82 1.57 -1.33 0.00 0.00 177.39 176.96 1u81 n HIS 146 N -0.22 0.98 -0.04 -1.77 -0.00 -1.26 -4.59 115.22 108.31 1u81 n HIS 146 Ca 0.07 0.24 -0.04 0.00 0.46 0.00 0.00 57.72 58.46 1u81 n HIS 146 Cb 0.12 -1.14 -0.08 0.00 -0.12 0.00 0.00 29.99 28.77 1u81 n HIS 146 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1u81 n SER 147 N -3.31 2.43 -4.65 0.26 3.41 -1.21 -4.96 113.62 105.59 1u81 n SER 147 Ca -0.30 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.88 1u81 n SER 147 Cb 1.05 0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 65.84 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 -4.63 4.17 0.00 1.04 1.43 -0.78 -4.99 118.68 114.93 1u81 s LEU 148 Ca -0.05 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1u81 s LEU 148 Cb 0.04 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1u81 s LEU 148 CO 0.43 -0.90 0.00 0.54 0.23 0.00 0.00 176.35 176.66 1u81 n ARG 149 N 6.95 2.94 0.00 1.70 5.12 -1.26 -4.82 116.66 127.29 1u81 n ARG 149 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1u81 n ARG 149 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 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 -2.08 -1.55 8.25 -1.26 -4.92 115.22 113.66 1u81 n HIS 150 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1u81 n HIS 150 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1u81 n HIS 150 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1u81 s ARG 151 N 0.00 3.97 -0.12 -0.41 3.52 -1.26 -4.93 118.95 119.71 1u81 s ARG 151 Ca 0.00 2.12 -0.29 0.00 -0.13 0.00 0.00 55.73 57.42 1u81 s ARG 151 Cb 0.00 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 1u81 s ARG 151 CO 0.00 -0.48 1.52 1.21 -0.81 0.00 0.00 175.30 176.74 1u81 s ASN 152 N -0.79 6.70 0.28 -2.12 3.84 -1.26 -4.95 114.94 116.64 1u81 s ASN 152 Ca 0.57 1.95 -0.08 0.00 0.21 0.00 0.00 52.86 55.51 1u81 s ASN 152 Cb -0.37 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 37.83 1u81 s ASN 152 CO 0.48 -0.93 0.51 -2.67 -2.79 0.00 0.00 177.10 171.69 1u81 n TRP 153 N 7.20 -1.78 -3.64 0.43 4.27 -1.26 -1.50 117.44 121.17 1u81 n TRP 153 Ca 0.16 -1.42 -0.04 0.00 -3.89 0.00 0.00 57.50 52.31 1u81 n TRP 153 Cb 0.44 0.60 -0.06 0.00 -1.36 0.00 0.00 31.31 30.93 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 -3.97 -0.15 -0.22 -2.67 5.04 0.33 -4.78 117.35 110.93 1u81 s TYR 154 Ca 0.14 0.33 -0.05 0.00 -2.44 0.00 0.00 57.07 55.04 1u81 s TYR 154 Cb -0.03 0.47 0.11 0.00 0.35 0.00 0.00 41.96 42.86 1u81 s TYR 154 CO 0.10 -0.10 0.40 -1.50 -1.34 0.00 0.00 175.55 173.12 1u81 s ILE 155 N -0.39 -0.63 0.26 3.14 2.07 -1.26 -0.24 121.20 124.15 1u81 s ILE 155 Ca 0.06 0.06 0.06 0.00 -1.41 0.00 0.00 60.65 59.43 1u81 s ILE 155 Cb -0.03 -0.73 -0.06 0.00 0.13 0.00 0.00 42.46 41.77 1u81 s ILE 155 CO -0.10 -0.01 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.27 1u81 s GLN 156 N 2.59 1.50 -0.01 3.50 2.00 -1.26 -5.04 119.66 122.94 1u81 s GLN 156 Ca 0.05 -1.75 -0.30 0.00 -2.00 0.00 0.00 55.36 51.37 1u81 s GLN 156 Cb -0.14 -1.10 -0.07 0.00 0.80 0.00 0.00 33.01 32.51 1u81 s GLN 156 CO -0.14 0.05 1.68 0.00 -0.50 0.00 0.00 175.29 176.37 1u81 s ALA 157 N -3.04 3.63 -0.12 1.58 0.00 -1.26 -3.93 121.76 118.61 1u81 s ALA 157 Ca 0.28 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1u81 s ALA 157 Cb 0.03 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1u81 s ALA 157 CO 0.11 -1.31 -0.14 0.95 0.00 0.00 0.00 175.76 175.37 1u81 s THR 158 N 3.63 3.02 -0.37 0.00 -4.23 -1.24 -3.33 115.64 113.12 1u81 s THR 158 Ca 0.75 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1u81 s THR 158 Cb -0.36 -2.26 0.11 0.00 1.34 0.00 0.00 72.50 71.33 1u81 s THR 158 CO 0.31 0.53 0.12 0.00 -0.54 0.00 0.00 174.62 175.05 1u81 h ALA 160 N 7.51 1.12 0.66 0.00 0.00 -1.89 -0.33 119.26 126.33 1u81 h ALA 160 Ca -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1u81 h ALA 160 Cb 0.99 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1u81 h ALA 160 CO 0.52 0.17 -0.32 1.79 0.00 0.00 0.00 179.25 181.41 1u81 h THR 161 N 0.00 0.13 0.00 0.00 1.35 -1.93 -3.35 112.91 109.11 1u81 h THR 161 Ca -0.00 -0.31 -0.06 0.00 -0.55 0.00 0.00 66.41 65.49 1u81 h THR 161 Cb 0.51 0.17 0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1u81 h THR 161 CO 0.02 0.02 -0.25 0.77 -0.25 0.00 0.00 175.52 175.83 1u81 h SER 162 N -1.17 0.21 0.00 5.36 4.64 -2.00 -3.48 113.55 117.11 1u81 h SER 162 Ca -0.09 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 1u81 h SER 162 Cb 0.71 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1u81 h SER 162 CO 0.15 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.70 1u81 n GLY 163 N 1.09 1.34 3.37 -0.77 0.00 -0.16 -5.13 105.19 104.94 1u81 n GLY 163 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.36 0.00 1.61 2.03 -1.08 -2.62 116.55 114.14 1u81 n ASP 164 Ca 0.00 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1u81 n ASP 164 Cb 0.00 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 1.68 1.02 0.24 0.27 0.00 -1.21 -1.31 105.19 105.88 1u81 n GLY 165 Ca 0.05 0.00 -0.09 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 0.77 0.16 0.99 3.38 -1.78 -3.02 115.31 115.81 1u81 h LEU 166 Ca 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1u81 h LEU 166 Cb 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1u81 h LEU 166 CO 0.00 0.79 -0.11 0.22 0.09 0.00 0.00 178.44 179.43 1u81 h TYR 167 N 0.71 -0.31 -1.07 1.13 3.20 -1.84 -1.05 116.97 117.73 1u81 h TYR 167 Ca 0.16 -0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.32 1u81 h TYR 167 Cb 0.32 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.59 1u81 h TYR 167 CO 0.02 -0.16 0.68 0.93 -1.64 0.00 0.00 178.16 177.98 1u81 h GLU 168 N -0.26 0.36 0.45 1.82 3.07 -1.96 -1.50 114.58 116.56 1u81 h GLU 168 Ca -0.02 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1u81 h GLU 168 Cb 0.22 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1u81 h GLU 168 CO 0.01 0.24 -0.22 0.78 -1.40 0.00 0.00 179.01 178.42 1u81 h GLY 169 N 0.37 -0.64 0.61 -3.84 0.00 -1.37 -2.00 103.07 96.21 1u81 h GLY 169 Ca 0.65 0.24 0.06 0.00 0.00 0.00 0.00 47.33 48.27 1u81 h GLY 169 CO -0.37 -0.23 0.19 1.41 0.00 0.00 0.00 176.54 177.54 1u81 h LEU 170 N -1.02 0.23 0.33 3.11 3.38 -0.44 -0.70 115.31 120.20 1u81 h LEU 170 Ca -0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1u81 h LEU 170 Cb 0.57 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u81 h LEU 170 CO 0.10 0.16 -0.16 -0.78 0.09 0.00 0.00 178.44 177.86 1u81 h ASP 171 N 0.38 -0.37 -0.54 -0.43 3.58 -1.39 -1.26 116.42 116.38 1u81 h ASP 171 Ca 0.22 -0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.74 1u81 h ASP 171 Cb 0.20 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.27 1u81 h ASP 171 CO -0.21 -0.21 0.13 -0.25 -2.88 0.00 0.00 179.24 175.82 1u81 h TRP 172 N -0.50 0.21 0.51 0.28 7.01 -1.10 -0.70 115.95 121.66 1u81 h TRP 172 Ca -0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1u81 h TRP 172 Cb 0.38 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 1u81 h TRP 172 CO -0.04 0.01 -0.40 1.25 -2.79 0.00 0.00 178.44 176.47 1u81 h LEU 173 N 0.27 -1.06 -0.75 0.65 5.85 -0.99 0.49 115.31 119.77 1u81 h LEU 173 Ca 0.28 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.18 1u81 h LEU 173 Cb 0.37 0.33 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 1u81 h LEU 173 CO -0.34 -0.57 -0.42 -1.28 -0.34 0.00 0.00 178.44 175.50 1u81 h SER 174 N -0.88 -1.49 -0.39 1.25 0.87 -0.80 0.22 113.55 112.34 1u81 h SER 174 Ca -0.07 0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1u81 h SER 174 Cb 0.73 0.71 -0.05 0.00 -0.44 0.00 0.00 62.40 63.36 1u81 h SER 174 CO 0.01 -0.31 0.11 0.78 -0.53 0.00 0.00 176.83 176.89 1u81 h ASN 175 N -0.13 0.08 0.60 6.23 2.35 -0.97 0.22 115.58 123.96 1u81 h ASN 175 Ca 0.24 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1u81 h ASN 175 Cb 0.56 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.99 1u81 h ASN 175 CO -0.80 0.08 -0.29 1.56 -1.65 0.00 0.00 177.43 176.33 1u81 h GLN 176 N 0.25 -0.77 -0.84 0.81 1.08 0.11 0.12 115.11 115.85 1u81 h GLN 176 Ca 0.18 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.52 1u81 h GLN 176 Cb 0.19 0.18 -0.07 0.00 -0.05 0.00 0.00 27.48 27.73 1u81 h GLN 176 CO -0.21 -0.50 0.50 -0.07 -0.95 0.00 0.00 178.83 177.60 1u81 h LEU 177 N -0.84 0.75 -1.44 1.46 3.38 -0.50 -0.06 115.31 118.06 1u81 h LEU 177 Ca -0.08 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1u81 h LEU 177 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1u81 h LEU 177 CO 0.13 0.45 -0.17 -0.09 0.09 0.00 0.00 178.44 178.85 1u81 h ARG 178 N 0.87 0.15 0.00 1.13 2.43 -0.31 0.13 114.38 118.78 1u81 h ARG 178 Ca 0.39 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.37 1u81 h ARG 178 Cb 0.29 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1u81 h ARG 178 CO -0.22 0.33 -0.74 -0.91 -1.51 0.00 0.00 179.97 176.92 1u81 h ASN 179 N 0.14 0.00 0.46 -3.80 2.35 0.11 -3.29 115.58 111.55 1u81 h ASN 179 Ca 0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1u81 h ASN 179 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1u81 h ASN 179 CO 0.03 0.74 -1.62 0.00 -1.65 0.00 0.00 177.43 174.93 1u81 n GLN 180 N -3.65 0.64 0.00 0.81 6.02 -0.59 -5.09 117.38 115.51 1u81 n GLN 180 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1u81 n GLN 180 Cb 0.72 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1u81 n GLN 180 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68