#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 3.00 -0.30 3.17 3.52 -1.26 -1.51 118.95 125.56 1u81 s ARG 19 Ca 0.00 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 55.03 1u81 s ARG 19 Cb 0.00 -2.53 0.15 0.00 -1.56 0.00 0.00 34.95 31.01 1u81 s ARG 19 CO 0.00 -0.34 0.64 0.42 -0.81 0.00 0.00 175.30 175.21 1u81 s ILE 20 N -2.60 -0.99 -0.56 4.11 1.09 -0.79 0.15 121.20 121.61 1u81 s ILE 20 Ca 0.50 0.00 -0.28 0.00 -1.10 0.00 0.00 60.65 59.76 1u81 s ILE 20 Cb -0.10 -1.00 0.03 0.00 -1.06 0.00 0.00 42.46 40.33 1u81 s ILE 20 CO 0.38 0.00 1.17 -0.76 -0.10 0.00 0.00 174.94 175.63 1u81 s LEU 21 N 2.88 3.52 -1.13 2.97 1.43 -1.21 -0.14 118.68 127.00 1u81 s LEU 21 Ca 0.03 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1u81 s LEU 21 Cb -0.13 -3.24 0.27 0.00 0.03 0.00 0.00 46.19 43.13 1u81 s LEU 21 CO -0.20 -1.42 1.51 0.80 0.23 0.00 0.00 176.35 177.27 1u81 n MET 22 N 8.27 4.17 -3.53 1.70 1.56 -0.18 0.53 117.12 129.64 1u81 n MET 22 Ca 0.09 -4.33 -0.36 0.00 -0.27 0.00 0.00 57.70 52.83 1u81 n MET 22 Cb 0.49 -2.61 -0.06 0.00 2.15 0.00 0.00 33.22 33.19 1u81 n MET 22 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1u81 s VAL 23 N -1.87 5.05 0.00 1.12 -7.23 -0.75 -3.80 120.40 112.92 1u81 s VAL 23 Ca 0.33 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 61.15 1u81 s VAL 23 Cb 0.04 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1u81 s VAL 23 CO 0.06 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1u81 n GLY 24 N 1.32 0.71 0.00 2.32 0.00 -1.26 -2.50 105.19 105.77 1u81 n GLY 24 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.71 0.99 4.77 -1.26 -3.68 117.00 113.11 1u81 n LEU 25 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1u81 n LEU 25 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1u81 n LEU 25 CO 0.00 -1.19 0.60 1.51 -1.33 0.00 0.00 177.39 176.98 1u81 s ASP 26 N -1.86 7.20 -1.45 -1.43 1.47 -1.26 -3.93 116.67 115.41 1u81 s ASP 26 Ca 0.00 1.46 -0.08 0.00 1.18 0.00 0.00 52.55 55.10 1u81 s ASP 26 Cb 0.00 -2.51 0.03 0.00 -0.34 0.00 0.00 42.92 40.10 1u81 s ASP 26 CO 0.00 -0.25 0.92 0.00 0.68 0.00 0.00 175.17 176.52 1u81 n ALA 27 N 4.11 -1.18 -0.00 2.11 0.00 -1.26 -4.92 120.51 119.36 1u81 n ALA 27 Ca 0.04 0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 1u81 n ALA 27 Cb 0.51 -4.66 -0.11 0.00 0.00 0.00 0.00 19.45 15.18 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 1.00 0.05 0.00 0.00 0.00 -1.93 -3.47 119.26 114.92 1u81 h ALA 28 Ca -0.55 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1u81 h ALA 28 Cb 1.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1u81 h ALA 28 CO 0.58 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1u81 n GLY 29 N 1.11 -0.04 0.30 0.00 0.00 -1.26 -4.72 105.19 100.58 1u81 n GLY 29 Ca -0.10 0.00 -0.12 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 -0.71 -0.48 1.61 1.57 -1.94 -2.49 116.57 114.13 1u81 h LYS 30 Ca 0.00 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.97 1u81 h LYS 30 Cb 0.00 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1u81 h LYS 30 CO 0.00 -0.48 0.40 1.15 -0.57 0.00 0.00 179.45 179.96 1u81 h THR 31 N -0.74 0.57 0.65 -0.16 2.02 -1.99 -1.63 112.91 111.63 1u81 h THR 31 Ca -0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1u81 h THR 31 Cb 0.58 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1u81 h THR 31 CO 0.09 0.00 -0.31 0.74 0.37 0.00 0.00 175.52 176.41 1u81 h THR 32 N 0.00 0.00 -0.90 3.16 2.02 -1.94 0.17 112.91 115.43 1u81 h THR 32 Ca 0.23 -0.19 0.24 0.00 0.77 0.00 0.00 66.41 67.46 1u81 h THR 32 Cb 1.03 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.28 1u81 h THR 32 CO -0.00 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.40 1u81 h ILE 33 N -1.07 0.19 -0.53 3.11 2.04 -0.87 0.72 117.51 121.10 1u81 h ILE 33 Ca -0.09 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1u81 h ILE 33 Cb 0.67 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1u81 h ILE 33 CO 0.15 0.02 0.29 -0.07 0.00 0.00 0.00 178.15 178.53 1u81 h LEU 34 N 0.10 0.67 -1.82 1.44 3.38 -1.24 -1.41 115.31 116.43 1u81 h LEU 34 Ca 0.55 -0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.67 1u81 h LEU 34 Cb 1.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1u81 h LEU 34 CO -0.77 0.58 0.76 0.22 0.09 0.00 0.00 178.44 179.32 1u81 h TYR 35 N 0.71 0.00 0.00 1.13 3.20 0.35 0.14 116.97 122.50 1u81 h TYR 35 Ca 0.19 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1u81 h TYR 35 Cb 0.06 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1u81 h TYR 35 CO -0.01 0.00 -0.20 0.87 -1.64 0.00 0.00 178.16 177.17 1u81 h LYS 36 N 0.00 0.00 -0.88 1.82 1.79 -0.82 -3.37 116.57 115.11 1u81 h LYS 36 Ca 0.41 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 59.11 1u81 h LYS 36 Cb 1.92 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 32.42 1u81 h LYS 36 CO -0.00 0.26 0.14 -0.07 -1.08 0.00 0.00 179.45 178.70 1u81 h LEU 37 N -1.00 -0.19 -1.90 2.94 3.38 -0.45 -3.46 115.31 114.64 1u81 h LEU 37 Ca -0.03 0.22 -0.35 0.00 0.09 0.00 0.00 57.88 57.81 1u81 h LEU 37 Cb 0.39 0.34 0.13 0.00 0.09 0.00 0.00 40.66 41.61 1u81 h LEU 37 CO -0.02 -0.22 -0.81 0.29 0.09 0.00 0.00 178.44 177.77 1u81 n LYS 38 N -5.32 -5.08 -0.04 1.13 5.02 0.31 -4.86 118.16 109.32 1u81 n LYS 38 Ca 0.21 0.75 -0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1u81 n LYS 38 Cb 0.68 -5.53 0.01 0.00 -0.02 0.00 0.00 35.03 30.17 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 -4.05 1.70 0.00 -0.35 4.77 -1.26 -4.94 117.00 112.87 1u81 n LEU 39 Ca -0.25 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1u81 n LEU 39 Cb 0.66 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1u81 n LEU 39 CO 0.64 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1u81 n GLY 40 N 0.13 1.09 3.69 -0.72 0.00 -1.26 -4.91 105.19 103.20 1u81 n GLY 40 Ca 0.01 -1.82 -0.51 0.00 0.00 0.00 0.00 46.02 43.71 1u81 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u81 n GLU 41 N 1.12 1.89 -2.27 1.61 1.02 -1.26 -4.89 120.64 117.87 1u81 n GLU 41 Ca 0.00 0.69 -0.43 0.00 -0.02 0.00 0.00 57.16 57.41 1u81 n GLU 41 Cb 0.00 -2.49 -0.02 0.00 -0.02 0.00 0.00 31.44 28.91 1u81 n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1u81 s ILE 42 N 3.65 4.01 -0.87 -3.67 1.01 -1.26 -4.95 121.20 119.12 1u81 s ILE 42 Ca 0.93 1.22 -0.25 0.00 0.00 0.00 0.00 60.65 62.55 1u81 s ILE 42 Cb -0.79 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 37.90 1u81 s ILE 42 CO 0.54 -0.13 1.43 -0.69 0.00 0.00 0.00 174.94 176.09 1u81 s VAL 43 N 3.79 3.78 -1.32 2.92 1.01 -1.26 -4.91 120.40 124.41 1u81 s VAL 43 Ca 0.62 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1u81 s VAL 43 Cb -0.26 -4.89 0.10 0.00 0.00 0.00 0.00 36.38 31.34 1u81 s VAL 43 CO 0.21 -1.80 1.83 0.41 0.00 0.00 0.00 175.10 175.74 1u81 n THR 44 N 6.74 3.95 -0.90 3.92 -1.04 -1.26 -3.90 114.28 121.79 1u81 n THR 44 Ca 0.20 -4.00 -0.30 0.00 -2.04 0.00 0.00 64.05 57.91 1u81 n THR 44 Cb 0.50 -2.44 0.24 0.00 -1.82 0.00 0.00 70.33 66.80 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 2.72 1.65 -0.47 12.58 -4.23 -1.16 -4.83 115.64 121.90 1u81 s THR 45 Ca 0.47 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.02 1u81 s THR 45 Cb 0.06 -2.36 0.12 0.00 1.34 0.00 0.00 72.50 71.66 1u81 s THR 45 CO 0.01 0.00 0.20 -0.63 -0.54 0.00 0.00 174.62 173.66 1u81 s ILE 46 N -2.80 2.59 0.00 2.99 1.01 -1.26 -2.72 121.20 121.01 1u81 s ILE 46 Ca 0.69 -2.97 0.00 0.00 0.00 0.00 0.00 60.65 58.37 1u81 s ILE 46 Cb -0.14 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1u81 s ILE 46 CO 0.58 -0.74 0.84 -2.65 0.00 0.00 0.00 174.94 172.97 1u81 n PRO 47 N 3.52 0.00 -4.62 2.79 -0.02 -1.20 -4.76 135.00 130.72 1u81 n PRO 47 Ca 0.05 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1u81 n PRO 47 Cb 0.36 -1.34 -0.13 0.00 -0.02 0.00 0.00 33.50 32.36 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 -2.38 3.46 -0.11 3.45 -4.23 -1.13 -4.99 115.64 109.72 1u81 s THR 48 Ca 0.00 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1u81 s THR 48 Cb 0.00 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1u81 s THR 48 CO 0.00 0.52 0.32 -0.38 -0.54 0.00 0.00 174.62 174.54 1u81 n ILE 49 N 3.33 0.00 0.00 2.99 -0.00 -1.26 -0.39 119.36 124.03 1u81 n ILE 49 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1u81 n ILE 49 Cb 0.53 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.10 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 0.82 2.35 3.60 7.39 0.00 -1.26 -4.87 105.19 113.21 1u81 n GLY 50 Ca 0.08 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 1.70 0.18 1.61 5.36 0.47 -4.98 117.98 122.33 1u81 s PHE 51 Ca 0.00 0.65 -0.05 0.00 -0.96 0.00 0.00 56.93 56.56 1u81 s PHE 51 Cb 0.00 -4.09 -0.06 0.00 -0.34 0.00 0.00 43.02 38.54 1u81 s PHE 51 CO 0.00 -3.04 0.43 -0.80 -1.46 0.00 0.00 175.22 170.35 1u81 s ASN 52 N 6.63 6.50 0.00 6.13 -0.87 -1.26 -2.82 114.94 129.25 1u81 s ASN 52 Ca 0.82 0.65 0.01 0.00 -1.57 0.00 0.00 52.86 52.77 1u81 s ASN 52 Cb -0.23 -2.11 -0.01 0.00 -0.02 0.00 0.00 41.25 38.88 1u81 s ASN 52 CO 0.33 -0.01 -0.04 -0.69 -2.57 0.00 0.00 177.10 174.11 1u81 s VAL 53 N -1.76 0.32 -0.89 1.60 1.01 -1.10 -4.61 120.40 114.96 1u81 s VAL 53 Ca 0.42 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1u81 s VAL 53 Cb -0.12 -0.29 0.23 0.00 0.00 0.00 0.00 36.38 36.20 1u81 s VAL 53 CO 0.25 0.02 0.82 -1.61 0.00 0.00 0.00 175.10 174.57 1u81 s GLU 54 N -0.29 3.58 -0.42 2.72 2.02 -1.19 -2.96 118.70 122.16 1u81 s GLU 54 Ca -0.00 -2.79 -0.28 0.00 0.02 0.00 0.00 54.97 51.91 1u81 s GLU 54 Cb -0.03 -4.30 -0.30 0.00 0.10 0.00 0.00 34.13 29.61 1u81 s GLU 54 CO -0.00 -1.26 1.77 2.41 0.02 0.00 0.00 175.26 178.20 1u81 n THR 55 N 3.33 0.45 -1.25 3.63 -1.04 -1.25 -2.81 114.28 115.34 1u81 n THR 55 Ca 0.17 -0.42 -0.36 0.00 -2.04 0.00 0.00 64.05 61.40 1u81 n THR 55 Cb 0.42 -2.07 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 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 7.27 3.78 -4.05 12.58 0.31 -0.91 -4.80 118.33 132.51 1u81 n VAL 56 Ca 0.46 -2.39 -0.31 0.00 -0.01 0.00 0.00 64.34 62.09 1u81 n VAL 56 Cb 0.43 -2.52 -0.16 0.00 -0.91 0.00 0.00 33.84 30.68 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 2.63 2.34 -0.29 5.55 2.02 -1.26 0.13 118.70 129.82 1u81 s GLU 57 Ca 0.61 -0.95 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 1u81 s GLU 57 Cb 0.16 -2.56 0.14 0.00 0.10 0.00 0.00 34.13 31.97 1u81 s GLU 57 CO -0.05 -0.40 1.05 -0.47 0.02 0.00 0.00 175.26 175.41 1u81 s TYR 58 N 1.30 -0.46 0.00 1.61 5.04 -0.03 -4.96 117.35 119.85 1u81 s TYR 58 Ca -0.01 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1u81 s TYR 58 Cb -0.16 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1u81 s TYR 58 CO -0.09 -0.23 0.00 1.63 -1.34 0.00 0.00 175.55 175.53 1u81 n LYS 59 N 2.88 0.00 0.10 4.97 5.02 -1.26 -3.06 118.16 126.81 1u81 n LYS 59 Ca -0.15 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.10 1u81 n LYS 59 Cb 0.57 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.69 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 7.39 0.15 -3.37 4.39 -1.07 -2.00 -3.39 115.58 117.68 1u81 h ASN 60 Ca 0.00 -0.10 -0.55 0.00 0.07 0.00 0.00 56.30 55.72 1u81 h ASN 60 Cb 0.00 -0.04 -0.04 0.00 -2.07 0.00 0.00 38.32 36.17 1u81 h ASN 60 CO 0.00 0.77 0.02 -0.63 0.07 0.00 0.00 177.43 177.66 1u81 s ILE 61 N -3.58 4.68 -0.45 6.14 1.01 -1.17 -0.53 121.20 127.29 1u81 s ILE 61 Ca -0.03 1.22 0.06 0.00 0.00 0.00 0.00 60.65 61.90 1u81 s ILE 61 Cb 0.12 -3.89 0.22 0.00 0.01 0.00 0.00 42.46 38.92 1u81 s ILE 61 CO 0.79 0.41 0.65 -1.20 0.00 0.00 0.00 174.94 175.58 1u81 n SER 62 N 1.29 -1.62 -4.59 3.58 7.64 -0.57 -0.85 113.62 118.50 1u81 n SER 62 Ca -0.07 -2.87 -0.42 0.00 1.01 0.00 0.00 58.87 56.52 1u81 n SER 62 Cb 0.51 0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 64.30 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 0.03 2.35 -0.73 1.43 0.08 0.34 -1.88 117.98 119.60 1u81 s PHE 63 Ca 0.33 0.56 -0.27 0.00 0.12 0.00 0.00 56.93 57.67 1u81 s PHE 63 Cb 0.13 -4.37 0.02 0.00 -0.57 0.00 0.00 43.02 38.24 1u81 s PHE 63 CO -0.16 -1.94 1.36 0.99 -0.10 0.00 0.00 175.22 175.37 1u81 s THR 64 N 5.78 3.67 0.31 0.64 2.01 0.80 -2.14 115.64 126.70 1u81 s THR 64 Ca 0.55 0.36 -0.04 0.00 0.31 0.00 0.00 61.69 62.88 1u81 s THR 64 Cb -0.12 -4.79 -0.05 0.00 0.01 0.00 0.00 72.50 67.56 1u81 s THR 64 CO 0.28 -1.73 0.56 -0.69 -0.69 0.00 0.00 174.62 172.35 1u81 s VAL 65 N 6.18 5.04 -4.04 3.82 1.01 -1.12 -1.01 120.40 130.28 1u81 s VAL 65 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1u81 s VAL 65 Cb -0.08 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1u81 s VAL 65 CO 0.15 -0.39 0.00 -2.67 0.00 0.00 0.00 175.10 172.19 1u81 n TRP 66 N -1.17 0.00 -4.45 5.22 2.14 -1.25 -3.14 117.44 114.80 1u81 n TRP 66 Ca -0.02 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.24 1u81 n TRP 66 Cb 0.54 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.00 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 -0.09 4.33 0.44 -0.67 1.01 -1.26 -4.25 116.67 116.18 1u81 s ASP 67 Ca 0.00 -1.54 0.01 0.00 0.71 0.00 0.00 52.55 51.73 1u81 s ASP 67 Cb 0.00 0.60 -0.00 0.00 1.01 0.00 0.00 42.92 44.52 1u81 s ASP 67 CO 0.00 -1.00 0.66 0.68 0.21 0.00 0.00 175.17 175.72 1u81 s VAL 68 N -2.86 3.97 0.00 -1.27 -7.23 -1.24 -4.90 120.40 106.87 1u81 s VAL 68 Ca 0.13 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1u81 s VAL 68 Cb -0.01 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.47 1u81 s VAL 68 CO 0.08 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1u81 n GLY 69 N -2.05 -0.82 5.47 2.32 0.00 -1.26 -5.01 105.19 103.83 1u81 n GLY 69 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.22 0.00 -0.02 0.00 -1.26 -2.71 105.19 102.41 1u81 n GLY 70 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.00 1.61 7.27 -1.26 -5.01 117.38 119.99 1u81 n GLN 71 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1u81 n GLN 71 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 0.00 -0.91 -3.85 1.69 5.75 -1.10 -3.46 116.55 114.67 1u81 n ASP 72 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1u81 n ASP 72 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 3.68 -3.38 0.11 4.81 -1.26 -4.73 118.16 117.39 1u81 n LYS 73 Ca 0.00 -3.54 -0.24 0.00 -0.87 0.00 0.00 58.31 53.65 1u81 n LYS 73 Cb 0.00 -2.90 0.02 0.00 0.02 0.00 0.00 35.03 32.17 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 3.20 -6.11 -3.71 3.15 3.06 -1.23 -5.03 119.36 112.69 1u81 n ILE 74 Ca 0.40 0.19 -0.18 0.00 -2.50 0.00 0.00 62.75 60.66 1u81 n ILE 74 Cb 0.36 -4.63 -0.17 0.00 0.54 0.00 0.00 39.64 35.74 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 -3.18 -0.06 0.00 9.51 6.06 -1.22 -5.04 118.95 125.02 1u81 s ARG 75 Ca 0.21 0.32 0.00 0.00 -2.50 0.00 0.00 55.73 53.76 1u81 s ARG 75 Cb -0.03 -0.40 0.00 0.00 0.06 0.00 0.00 34.95 34.58 1u81 s ARG 75 CO 0.84 -0.27 0.23 -2.30 -2.50 0.00 0.00 175.30 171.30 1u81 n PRO 76 N 4.89 0.36 -0.04 5.12 -0.02 -1.26 -3.93 135.00 140.12 1u81 n PRO 76 Ca -0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.19 1u81 n PRO 76 Cb 0.50 -1.22 -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 0.90 0.90 -0.52 2.45 -0.00 -1.96 -2.94 115.31 114.15 1u81 h LEU 77 Ca 0.00 -0.60 0.10 0.00 -0.00 0.00 0.00 57.88 57.38 1u81 h LEU 77 Cb 0.23 -0.26 -0.10 0.00 -0.00 0.00 0.00 40.66 40.52 1u81 h LEU 77 CO 0.00 1.35 -0.16 -0.50 -0.00 0.00 0.00 178.44 179.13 1u81 h TRP 78 N 0.51 -0.36 -0.50 0.17 4.06 -1.94 -1.47 115.95 116.42 1u81 h TRP 78 Ca -0.03 0.05 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 1u81 h TRP 78 Cb 1.29 0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 29.67 1u81 h TRP 78 CO 0.09 -0.25 -0.01 0.00 -3.56 0.00 0.00 178.44 174.71 1u81 h ARG 79 N -0.03 0.88 -0.23 0.49 -0.00 -1.87 -1.76 114.38 111.85 1u81 h ARG 79 Ca 0.25 -0.29 0.07 0.00 -0.50 0.00 0.00 59.98 59.51 1u81 h ARG 79 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.30 1u81 h ARG 79 CO -0.55 0.92 0.19 0.45 0.00 0.00 0.00 179.97 180.98 1u81 h HIS 80 N 0.74 0.00 0.07 3.04 3.86 -1.10 0.29 115.15 122.05 1u81 h HIS 80 Ca 0.14 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.25 1u81 h HIS 80 Cb 0.53 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.01 1u81 h HIS 80 CO 0.04 0.00 -0.43 1.88 0.86 0.00 0.00 177.93 180.28 1u81 h TYR 81 N 0.00 0.28 -0.89 2.45 -1.99 -0.89 -3.33 116.97 112.60 1u81 h TYR 81 Ca 0.11 -0.21 0.11 0.00 2.00 0.00 0.00 58.73 60.74 1u81 h TYR 81 Cb 0.50 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 39.15 1u81 h TYR 81 CO 0.00 1.17 0.58 0.74 -0.00 0.00 0.00 178.16 180.64 1u81 h PHE 82 N -0.67 0.94 0.00 4.88 0.04 -0.25 -2.83 116.94 119.04 1u81 h PHE 82 Ca -0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1u81 h PHE 82 Cb 1.34 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1u81 h PHE 82 CO 0.24 0.41 0.40 1.96 -0.60 0.00 0.00 178.31 180.72 1u81 h GLN 83 N 0.85 0.00 -0.15 1.51 4.20 -0.61 -2.58 115.11 118.33 1u81 h GLN 83 Ca 0.42 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.94 1u81 h GLN 83 Cb 0.47 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.91 1u81 h GLN 83 CO -0.19 0.00 -0.89 0.27 -0.67 0.00 0.00 178.83 177.36 1u81 n ASN 84 N -2.63 0.67 -4.86 1.46 6.94 -1.07 -5.11 115.26 110.66 1u81 n ASN 84 Ca -0.01 -2.03 -0.32 0.00 -0.02 0.00 0.00 54.58 52.20 1u81 n ASN 84 Cb 0.43 -0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.62 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 -1.31 4.78 0.00 5.53 2.01 -0.98 -4.57 115.64 121.11 1u81 s THR 85 Ca 0.24 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1u81 s THR 85 Cb 0.32 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1u81 s THR 85 CO -0.10 -0.21 0.00 0.00 -0.69 0.00 0.00 174.62 173.62 1u81 n GLN 86 N -0.47 2.47 -2.61 4.92 1.13 -1.20 -4.83 117.38 116.79 1u81 n GLN 86 Ca 0.02 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.93 1u81 n GLN 86 Cb 0.53 -0.86 0.04 0.00 0.11 0.00 0.00 30.24 30.06 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 2.15 2.11 2.66 1.08 0.00 0.39 -4.24 105.19 109.33 1u81 n GLY 87 Ca 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.01 -0.41 0.99 2.96 -1.26 -3.33 118.68 117.63 1u81 s LEU 88 Ca 0.41 -0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 54.25 1u81 s LEU 88 Cb -0.03 0.02 0.09 0.00 0.50 0.00 0.00 46.19 46.77 1u81 s LEU 88 CO 0.26 -0.00 0.23 -0.63 -1.32 0.00 0.00 176.35 174.90 1u81 s ILE 89 N 2.01 3.85 -0.48 6.68 1.01 0.19 0.65 121.20 135.11 1u81 s ILE 89 Ca 0.14 -1.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.04 1u81 s ILE 89 Cb 0.05 -3.45 0.12 0.00 0.01 0.00 0.00 42.46 39.19 1u81 s ILE 89 CO -0.17 -0.57 0.37 0.12 0.00 0.00 0.00 174.94 174.69 1u81 s PHE 90 N 1.32 3.40 -0.33 3.97 5.36 0.06 -1.82 117.98 129.94 1u81 s PHE 90 Ca 0.04 -1.77 -0.23 0.00 -0.96 0.00 0.00 56.93 54.01 1u81 s PHE 90 Cb -0.23 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 1u81 s PHE 90 CO -0.00 -0.99 0.78 0.08 -1.46 0.00 0.00 175.22 173.62 1u81 s VAL 91 N 1.40 4.77 -0.54 3.12 1.01 -1.04 -2.43 120.40 126.69 1u81 s VAL 91 Ca 0.05 1.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.95 1u81 s VAL 91 Cb -0.27 -4.17 0.13 0.00 0.00 0.00 0.00 36.38 32.08 1u81 s VAL 91 CO -0.00 -0.32 0.46 -0.69 0.00 0.00 0.00 175.10 174.55 1u81 s VAL 92 N 3.01 4.86 -0.94 2.92 1.01 -1.09 -4.38 120.40 125.78 1u81 s VAL 92 Ca 0.32 -1.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.42 1u81 s VAL 92 Cb -0.14 -4.14 -0.26 0.00 0.00 0.00 0.00 36.38 31.85 1u81 s VAL 92 CO 0.14 -0.85 2.38 -0.67 0.00 0.00 0.00 175.10 176.11 1u81 n ASP 93 N 5.02 -0.29 0.05 3.32 -0.08 -1.26 -4.41 116.55 118.90 1u81 n ASP 93 Ca -0.10 -0.40 0.21 0.00 -1.51 0.00 0.00 54.79 52.99 1u81 n ASP 93 Cb 0.41 -0.85 0.74 0.00 2.34 0.00 0.00 41.12 43.75 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 12.11 0.00 0.00 1.67 0.02 -1.59 -2.62 113.55 123.14 1u81 h SER 94 Ca -0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1u81 h SER 94 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1u81 h SER 94 CO 1.45 0.00 -0.21 -1.13 -1.14 0.00 0.00 176.83 175.80 1u81 h ASN 95 N 0.00 0.00 -0.12 3.07 -1.24 -1.75 -3.40 115.58 112.14 1u81 h ASN 95 Ca 0.23 -0.80 -0.18 0.00 0.71 0.00 0.00 56.30 56.26 1u81 h ASN 95 Cb 1.14 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.13 1u81 h ASN 95 CO -0.00 1.02 1.13 -0.67 -1.29 0.00 0.00 177.43 177.62 1u81 n ASP 96 N -4.60 -0.27 -0.66 1.15 -0.08 -0.99 -4.20 116.55 106.91 1u81 n ASP 96 Ca -0.13 -1.08 0.08 0.00 -1.51 0.00 0.00 54.79 52.15 1u81 n ASP 96 Cb 0.46 -0.99 0.08 0.00 2.34 0.00 0.00 41.12 43.01 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 6.65 1.33 -0.03 -0.67 1.85 -1.26 -4.47 116.66 120.06 1u81 n ARG 97 Ca 0.52 -1.51 -0.22 0.00 -1.00 0.00 0.00 57.85 55.64 1u81 n ARG 97 Cb 0.29 -1.31 -0.13 0.00 -1.05 0.00 0.00 32.46 30.26 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 0.90 0.70 -0.91 2.89 4.71 -1.26 -4.15 120.64 123.51 1u81 n GLU 98 Ca 0.10 0.35 0.03 0.00 -0.01 0.00 0.00 57.16 57.63 1u81 n GLU 98 Cb 0.41 -1.71 0.37 0.00 -1.01 0.00 0.00 31.44 29.49 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 -3.78 4.47 -0.63 3.49 1.74 -1.26 -4.53 116.66 116.16 1u81 n ARG 99 Ca -0.33 -3.03 0.48 0.00 -0.77 0.00 0.00 57.85 54.20 1u81 n ARG 99 Cb 0.94 -2.23 0.73 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.39 -0.01 -0.19 1.55 3.14 -1.26 0.22 118.33 122.18 1u81 n VAL 100 Ca 0.31 1.34 -0.10 0.00 -2.96 0.00 0.00 64.34 62.93 1u81 n VAL 100 Cb 1.23 -2.23 0.01 0.00 -1.06 0.00 0.00 33.84 31.79 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 1.01 -1.00 6.55 -1.07 -1.93 -1.84 115.58 117.30 1u81 h ASN 101 Ca 0.84 -0.34 0.21 0.00 0.07 0.00 0.00 56.30 57.09 1u81 h ASN 101 Cb 3.36 -0.27 -0.11 0.00 -2.07 0.00 0.00 38.32 39.23 1u81 h ASN 101 CO -0.02 1.11 0.61 -0.08 0.07 0.00 0.00 177.43 179.12 1u81 h GLU 102 N 0.89 0.65 0.11 4.14 4.81 0.22 -0.63 114.58 124.77 1u81 h GLU 102 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1u81 h GLU 102 Cb 0.63 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1u81 h GLU 102 CO 0.04 0.43 -0.05 0.00 -0.73 0.00 0.00 179.01 178.70 1u81 h ALA 103 N 1.67 -0.14 -0.99 2.92 0.00 -1.54 -3.15 119.26 118.03 1u81 h ALA 103 Ca 0.60 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.61 1u81 h ALA 103 Cb 1.06 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1u81 h ALA 103 CO -0.40 -0.17 0.96 -2.13 0.00 0.00 0.00 179.25 177.51 1u81 n ARG 104 N -4.84 0.01 0.15 0.00 0.63 -0.71 0.35 116.66 112.24 1u81 n ARG 104 Ca -0.05 0.77 -0.07 0.00 -0.92 0.00 0.00 57.85 57.58 1u81 n ARG 104 Cb 0.21 -1.88 -0.03 0.00 0.45 0.00 0.00 32.46 31.22 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 -0.44 0.44 -0.14 4.39 -1.09 -3.06 114.58 114.68 1u81 h GLU 105 Ca 0.47 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.18 1u81 h GLU 105 Cb 2.38 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 31.14 1u81 h GLU 105 CO -0.00 -0.29 -0.21 0.93 -1.16 0.00 0.00 179.01 178.27 1u81 h GLU 106 N -1.08 -0.56 -0.76 2.33 4.39 -0.79 -3.07 114.58 115.04 1u81 h GLU 106 Ca -0.05 0.04 0.28 0.00 0.34 0.00 0.00 59.36 59.97 1u81 h GLU 106 Cb 0.35 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.04 1u81 h GLU 106 CO 0.08 -0.27 0.47 -0.11 -1.16 0.00 0.00 179.01 178.02 1u81 n LEU 107 N -5.24 0.16 -0.34 1.33 7.94 0.15 0.69 117.00 121.69 1u81 n LEU 107 Ca -0.11 0.91 0.28 0.00 -1.11 0.00 0.00 56.01 55.98 1u81 n LEU 107 Cb 0.29 -0.45 0.53 0.00 0.53 0.00 0.00 43.42 44.33 1u81 n LEU 107 CO 0.31 -1.00 1.11 0.24 -1.11 0.00 0.00 177.39 176.95 1u81 h MET 108 N 0.00 0.18 0.14 1.96 2.86 -1.43 0.17 114.93 118.82 1u81 h MET 108 Ca 0.53 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.87 1u81 h MET 108 Cb 1.61 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1u81 h MET 108 CO -0.35 0.12 -1.40 0.00 1.06 0.00 0.00 176.91 176.34 1u81 h ARG 109 N 0.19 0.29 0.00 1.72 -0.00 0.05 -3.30 114.38 113.32 1u81 h ARG 109 Ca 0.78 -0.50 0.00 0.00 -0.50 0.00 0.00 59.98 59.76 1u81 h ARG 109 Cb 1.97 0.19 0.00 0.00 0.00 0.00 0.00 29.97 32.12 1u81 h ARG 109 CO -0.64 1.20 0.00 -1.33 0.00 0.00 0.00 179.97 179.20 1u81 n MET 110 N -3.52 0.00 0.00 0.04 2.81 0.61 -2.41 117.12 114.65 1u81 n MET 110 Ca -0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 1u81 n MET 110 Cb 1.04 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 1u81 n MET 110 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u81 n LEU 111 N -0.35 0.38 0.13 4.03 4.77 -1.24 -4.72 117.00 120.00 1u81 n LEU 111 Ca 0.00 0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 1u81 n LEU 111 Cb 0.00 -0.40 -0.16 0.00 -2.33 0.00 0.00 43.42 40.53 1u81 n LEU 111 CO 0.00 -0.40 -0.29 0.00 -1.33 0.00 0.00 177.39 175.37 1u81 h ALA 112 N -2.00 -0.11 0.00 -1.18 0.00 -1.78 -3.48 119.26 110.71 1u81 h ALA 112 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 1u81 h ALA 112 Cb 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u81 h ALA 112 CO 0.00 0.74 0.05 0.39 0.00 0.00 0.00 179.25 180.44 1u81 n GLU 113 N -3.71 0.00 -0.07 0.00 -0.58 -1.01 -4.83 120.64 110.45 1u81 n GLU 113 Ca -0.18 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.49 1u81 n GLU 113 Cb 1.10 -0.06 0.12 0.00 -0.57 0.00 0.00 31.44 32.04 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 0.37 0.72 -0.98 1.62 5.19 -1.92 -3.04 116.42 118.38 1u81 h ASP 114 Ca -0.00 -0.24 0.28 0.00 -0.62 0.00 0.00 57.03 56.45 1u81 h ASP 114 Cb 0.05 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 1u81 h ASP 114 CO 0.04 0.91 0.93 -0.33 -3.12 0.00 0.00 179.24 177.67 1u81 h GLU 115 N 0.63 0.00 -1.61 3.56 4.39 -1.91 0.20 114.58 119.85 1u81 h GLU 115 Ca 0.09 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.10 1u81 h GLU 115 Cb 0.68 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.01 1u81 h GLU 115 CO 0.05 0.00 0.47 1.28 -1.16 0.00 0.00 179.01 179.65 1u81 n LEU 116 N -3.66 6.72 0.00 1.33 4.77 -1.15 -4.86 117.00 120.15 1u81 n LEU 116 Ca 0.21 -4.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.37 1u81 n LEU 116 Cb 1.24 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1u81 n LEU 116 CO 0.31 1.84 0.03 0.54 -1.33 0.00 0.00 177.39 178.78 1u81 n ARG 117 N -0.61 0.00 -0.01 3.23 5.12 0.70 -4.70 116.66 120.39 1u81 n ARG 117 Ca 0.51 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.30 1u81 n ARG 117 Cb 0.47 -0.37 -0.10 0.00 -1.16 0.00 0.00 32.46 31.29 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 -0.02 0.00 0.55 2.03 -1.89 -3.42 116.42 113.67 1u81 h ASP 118 Ca 0.00 -0.53 -0.41 0.00 -0.73 0.00 0.00 57.03 55.35 1u81 h ASP 118 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1u81 h ASP 118 CO 0.00 0.53 1.11 0.00 -1.03 0.00 0.00 179.24 179.85 1u81 n ALA 119 N -2.39 0.18 -1.97 4.15 0.00 -1.26 -4.76 120.51 114.47 1u81 n ALA 119 Ca -0.09 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1u81 n ALA 119 Cb 0.28 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 5.50 3.51 -0.09 0.00 1.01 -1.26 -4.80 120.40 124.27 1u81 s VAL 120 Ca 0.90 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1u81 s VAL 120 Cb -0.93 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1u81 s VAL 120 CO 0.38 -0.12 1.52 -0.22 0.00 0.00 0.00 175.10 176.66 1u81 s LEU 121 N 4.80 4.28 -0.69 3.92 2.96 -1.12 -4.00 118.68 128.83 1u81 s LEU 121 Ca 0.77 2.06 -0.15 0.00 -0.22 0.00 0.00 54.13 56.58 1u81 s LEU 121 Cb -0.32 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.01 1u81 s LEU 121 CO 0.31 -0.86 0.65 -0.22 -1.32 0.00 0.00 176.35 174.91 1u81 s LEU 122 N 3.78 6.43 -1.14 -0.68 2.96 0.21 -1.62 118.68 128.62 1u81 s LEU 122 Ca 0.67 -2.24 -0.19 0.00 -0.22 0.00 0.00 54.13 52.15 1u81 s LEU 122 Cb -0.30 -2.22 0.09 0.00 0.50 0.00 0.00 46.19 44.27 1u81 s LEU 122 CO 0.25 -0.73 1.50 -0.69 -1.32 0.00 0.00 176.35 175.36 1u81 s VAL 123 N 0.94 4.29 -0.80 1.68 1.01 0.11 -0.76 120.40 126.87 1u81 s VAL 123 Ca 0.11 -1.60 -0.26 0.00 0.00 0.00 0.00 61.98 60.24 1u81 s VAL 123 Cb -0.19 -5.04 0.02 0.00 0.00 0.00 0.00 36.38 31.17 1u81 s VAL 123 CO -0.03 -1.85 1.46 -0.36 0.00 0.00 0.00 175.10 174.31 1u81 s PHE 124 N 3.81 2.21 -1.22 5.22 0.08 -1.02 -3.97 117.98 123.10 1u81 s PHE 124 Ca 0.46 -0.06 -0.09 0.00 0.12 0.00 0.00 56.93 57.36 1u81 s PHE 124 Cb 0.00 -4.52 0.20 0.00 -0.57 0.00 0.00 43.02 38.13 1u81 s PHE 124 CO -0.02 -2.06 1.71 0.00 -0.10 0.00 0.00 175.22 174.76 1u81 n ALA 125 N 10.10 5.13 -2.55 5.36 0.00 -1.25 -2.68 120.51 134.62 1u81 n ALA 125 Ca 0.15 -4.43 -0.29 0.00 0.00 0.00 0.00 53.44 48.88 1u81 n ALA 125 Cb 0.50 -2.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 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 0.49 6.44 0.00 0.00 2.47 -1.24 -3.61 114.94 119.50 1u81 s ASN 126 Ca 0.38 0.68 0.00 0.00 0.42 0.00 0.00 52.86 54.34 1u81 s ASN 126 Cb 0.07 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.74 1u81 s ASN 126 CO 0.02 -0.17 0.00 0.29 -3.72 0.00 0.00 177.10 173.53 1u81 n LYS 127 N -0.85 0.00 0.02 0.43 5.02 -1.26 -1.86 118.16 119.66 1u81 n LYS 127 Ca -0.02 0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.42 1u81 n LYS 127 Cb 0.54 -3.08 -0.04 0.00 -0.02 0.00 0.00 35.03 32.43 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 -0.15 0.00 1.97 -0.00 -1.86 -3.06 115.11 112.00 1u81 h GLN 128 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1u81 h GLN 128 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1u81 h GLN 128 CO 0.00 0.08 0.00 -0.40 0.00 0.00 0.00 178.83 178.51 1u81 n ASP 129 N -4.86 0.00 -4.71 -0.69 5.75 -1.26 -4.70 116.55 106.08 1u81 n ASP 129 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.32 1u81 n ASP 129 Cb 0.15 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.74 4.38 0.51 -2.12 1.43 -1.24 -4.96 118.68 115.94 1u81 s LEU 130 Ca 0.00 1.63 0.28 0.00 -1.03 0.00 0.00 54.13 55.01 1u81 s LEU 130 Cb 0.00 -3.52 1.39 0.00 0.03 0.00 0.00 46.19 44.09 1u81 s LEU 130 CO 0.00 -0.22 1.89 -0.65 0.23 0.00 0.00 176.35 177.60 1u81 h PRO 131 N 6.64 0.08 0.42 1.29 0.11 -1.93 -2.36 132.00 136.26 1u81 h PRO 131 Ca -0.41 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1u81 h PRO 131 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u81 h PRO 131 CO 0.75 0.06 -0.20 -0.97 -0.21 0.00 0.00 178.00 177.42 1u81 h ASN 132 N 0.09 -0.48 -1.83 -2.05 -1.24 -1.93 -3.47 115.58 104.67 1u81 h ASN 132 Ca 0.42 -0.02 -0.54 0.00 0.71 0.00 0.00 56.30 56.88 1u81 h ASN 132 Cb 1.55 0.12 0.24 0.00 0.73 0.00 0.00 38.32 40.96 1u81 h ASN 132 CO -0.05 -0.05 -2.01 0.00 -1.29 0.00 0.00 177.43 174.04 1u81 n ALA 133 N -2.71 -5.51 -1.06 1.57 0.00 -0.89 -4.85 120.51 107.06 1u81 n ALA 133 Ca -0.08 -0.83 -0.34 0.00 0.00 0.00 0.00 53.44 52.19 1u81 n ALA 133 Cb 0.24 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 18.72 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 2.38 0.08 -0.25 0.00 2.81 -1.26 -4.94 117.12 115.94 1u81 n MET 134 Ca -0.02 0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 55.66 1u81 n MET 134 Cb 0.60 -2.20 0.30 0.00 -0.71 0.00 0.00 33.22 31.20 1u81 n MET 134 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1u81 s ASN 135 N -1.99 -1.42 0.17 7.83 2.20 -1.26 -4.75 114.94 115.72 1u81 s ASN 135 Ca 0.68 0.90 -0.18 0.00 -0.94 0.00 0.00 52.86 53.32 1u81 s ASN 135 Cb -0.29 -1.28 0.09 0.00 -2.00 0.00 0.00 41.25 37.78 1u81 s ASN 135 CO 0.56 -5.59 1.65 0.00 -2.94 0.00 0.00 177.10 170.78 1u81 h ALA 136 N -3.57 0.17 0.10 3.54 0.00 -1.93 -3.16 119.26 114.42 1u81 h ALA 136 Ca -0.43 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u81 h ALA 136 Cb 1.35 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1u81 h ALA 136 CO 0.27 -0.51 -0.05 0.00 0.00 0.00 0.00 179.25 178.97 1u81 h ALA 137 N 1.26 -0.14 0.00 0.00 0.00 -2.03 -3.23 119.26 115.13 1u81 h ALA 137 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u81 h ALA 137 Cb 0.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1u81 h ALA 137 CO -0.43 -0.16 0.00 -0.85 0.00 0.00 0.00 179.25 177.81 1u81 n GLU 138 N -4.83 0.00 -0.01 0.00 0.28 -1.23 -2.26 120.64 112.58 1u81 n GLU 138 Ca -0.05 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.77 1u81 n GLU 138 Cb 0.21 -0.96 -0.09 0.00 1.43 0.00 0.00 31.44 32.03 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 1.35 0.00 3.84 1.08 -1.56 -3.18 117.51 119.04 1u81 h ILE 139 Ca 0.00 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.49 1u81 h ILE 139 Cb 0.00 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 1u81 h ILE 139 CO 0.00 0.60 -0.34 0.41 -0.69 0.00 0.00 178.15 178.13 1u81 n THR 140 N -4.12 0.10 0.00 -0.27 -1.04 -0.96 -4.07 114.28 103.92 1u81 n THR 140 Ca -0.09 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1u81 n THR 140 Cb 0.69 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 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 -1.66 0.00 0.00 8.00 2.03 -1.20 -0.35 116.55 123.36 1u81 n ASP 141 Ca 0.06 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1u81 n ASP 141 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.10 0.00 -0.09 -0.67 4.76 -1.24 0.61 118.16 121.43 1u81 n LYS 142 Ca 0.00 0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.24 1u81 n LYS 142 Cb 0.00 -1.81 -0.12 0.00 -1.84 0.00 0.00 35.03 31.26 1u81 n LYS 142 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u81 n LEU 143 N -0.85 2.59 0.00 -0.35 4.77 -1.17 -5.02 117.00 116.97 1u81 n LEU 143 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1u81 n LEU 143 Cb 0.31 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1u81 n LEU 143 CO 0.00 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1u81 n GLY 144 N 1.92 0.84 0.44 -0.72 0.00 0.20 -4.94 105.19 102.93 1u81 n GLY 144 Ca -0.42 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 1.32 -0.01 0.99 4.77 -1.10 -1.92 117.00 121.06 1u81 n LEU 145 Ca 0.00 -0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 55.26 1u81 n LEU 145 Cb 0.00 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 1u81 n LEU 145 CO 0.00 0.27 -0.76 1.57 -1.33 0.00 0.00 177.39 177.14 1u81 n HIS 146 N 0.09 1.09 -0.06 -1.77 -0.00 -1.26 -4.64 115.22 108.68 1u81 n HIS 146 Ca 0.16 0.28 -0.07 0.00 0.46 0.00 0.00 57.72 58.54 1u81 n HIS 146 Cb 0.28 -1.16 -0.06 0.00 -0.12 0.00 0.00 29.99 28.93 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 -3.32 2.97 -4.61 0.26 3.41 -1.24 -4.96 113.62 106.13 1u81 n SER 147 Ca -0.28 -0.05 -0.43 0.00 -0.26 0.00 0.00 58.87 57.85 1u81 n SER 147 Cb 1.05 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 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 -5.47 3.67 0.00 1.04 1.43 -0.81 -4.95 118.68 113.59 1u81 s LEU 148 Ca -0.14 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1u81 s LEU 148 Cb 0.04 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1u81 s LEU 148 CO 0.30 -1.62 0.00 0.54 0.23 0.00 0.00 176.35 175.80 1u81 n ARG 149 N 8.27 3.16 0.00 1.70 5.12 -1.26 -4.80 116.66 128.84 1u81 n ARG 149 Ca 0.24 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 1u81 n ARG 149 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 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 -2.14 -1.55 8.25 -1.26 -4.93 115.22 113.59 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 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 3.67 -0.14 -0.41 3.52 -1.26 -4.95 118.95 119.38 1u81 s ARG 151 Ca 0.00 1.91 -0.29 0.00 -0.13 0.00 0.00 55.73 57.22 1u81 s ARG 151 Cb 0.00 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 1u81 s ARG 151 CO 0.00 -0.66 1.24 1.21 -0.81 0.00 0.00 175.30 176.28 1u81 s ASN 152 N -1.19 6.97 0.33 -2.12 3.84 -1.26 -4.98 114.94 116.53 1u81 s ASN 152 Ca 0.64 1.72 -0.07 0.00 0.21 0.00 0.00 52.86 55.36 1u81 s ASN 152 Cb -0.32 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 37.86 1u81 s ASN 152 CO 0.39 -0.71 0.55 -2.67 -2.79 0.00 0.00 177.10 171.87 1u81 n TRP 153 N 6.22 -1.74 -3.64 0.43 4.27 -1.26 -2.80 117.44 118.92 1u81 n TRP 153 Ca 0.13 -1.85 -0.04 0.00 -3.89 0.00 0.00 57.50 51.84 1u81 n TRP 153 Cb 0.45 0.64 -0.07 0.00 -1.36 0.00 0.00 31.31 30.97 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 -3.14 -0.14 -0.23 -2.67 5.04 -0.64 -4.79 117.35 110.78 1u81 s TYR 154 Ca 0.20 0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 55.09 1u81 s TYR 154 Cb -0.02 0.46 0.11 0.00 0.35 0.00 0.00 41.96 42.86 1u81 s TYR 154 CO 0.15 -0.08 0.47 -1.50 -1.34 0.00 0.00 175.55 173.25 1u81 s ILE 155 N -0.12 -0.73 0.24 3.14 2.07 -1.26 0.07 121.20 124.60 1u81 s ILE 155 Ca 0.07 0.09 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1u81 s ILE 155 Cb -0.04 -0.78 -0.05 0.00 0.13 0.00 0.00 42.46 41.72 1u81 s ILE 155 CO -0.12 0.02 -0.06 -1.58 -1.91 0.00 0.00 174.94 171.29 1u81 s GLN 156 N 2.67 1.41 -0.02 3.50 2.00 -1.25 -5.04 119.66 122.93 1u81 s GLN 156 Ca 0.02 -1.69 -0.30 0.00 -2.00 0.00 0.00 55.36 51.38 1u81 s GLN 156 Cb -0.13 -0.93 -0.07 0.00 0.80 0.00 0.00 33.01 32.69 1u81 s GLN 156 CO -0.15 0.02 1.76 0.00 -0.50 0.00 0.00 175.29 176.41 1u81 s ALA 157 N -3.17 3.61 -0.13 1.58 0.00 -1.26 -3.78 121.76 118.61 1u81 s ALA 157 Ca 0.27 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1u81 s ALA 157 Cb 0.04 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1u81 s ALA 157 CO 0.09 -1.44 -0.16 0.95 0.00 0.00 0.00 175.76 175.20 1u81 s THR 158 N 4.13 2.76 -0.46 0.00 -4.23 -1.24 -3.49 115.64 113.11 1u81 s THR 158 Ca 0.78 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 1u81 s THR 158 Cb -0.37 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.46 1u81 s THR 158 CO 0.34 0.53 0.21 0.00 -0.54 0.00 0.00 174.62 175.16 1u81 h ALA 160 N 6.80 1.46 0.89 0.00 0.00 -1.89 -0.73 119.26 125.79 1u81 h ALA 160 Ca -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1u81 h ALA 160 Cb 0.93 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1u81 h ALA 160 CO 0.60 0.38 -0.43 1.79 0.00 0.00 0.00 179.25 181.60 1u81 h THR 161 N 0.21 0.07 0.03 0.00 1.35 -1.93 -3.31 112.91 109.33 1u81 h THR 161 Ca 0.04 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1u81 h THR 161 Cb 0.44 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1u81 h THR 161 CO 0.03 0.00 -0.02 0.77 -0.25 0.00 0.00 175.52 176.05 1u81 h SER 162 N -1.26 -0.04 0.00 5.36 4.64 -2.00 -3.48 113.55 116.78 1u81 h SER 162 Ca -0.12 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1u81 h SER 162 Cb 0.92 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1u81 h SER 162 CO 0.20 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1u81 n GLY 163 N 0.38 1.28 3.46 -0.77 0.00 -0.30 -5.14 105.19 104.11 1u81 n GLY 163 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.55 0.00 1.61 2.03 -1.09 -2.75 116.55 114.81 1u81 n ASP 164 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 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 1.25 1.02 0.27 0.27 0.00 -1.23 -1.08 105.19 105.70 1u81 n GLY 165 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 0.86 0.46 0.99 3.38 -1.80 -2.95 115.31 116.25 1u81 h LEU 166 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1u81 h LEU 166 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1u81 h LEU 166 CO 0.00 0.84 -0.26 0.22 0.09 0.00 0.00 178.44 179.33 1u81 h TYR 167 N 0.84 -0.67 -0.81 1.13 5.03 -1.84 -1.43 116.97 119.22 1u81 h TYR 167 Ca 0.19 -0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.67 1u81 h TYR 167 Cb 0.28 0.23 -0.11 0.00 1.55 0.00 0.00 36.73 38.68 1u81 h TYR 167 CO 0.02 -0.39 0.30 0.93 -1.32 0.00 0.00 178.16 177.70 1u81 h GLU 168 N -0.66 0.38 0.70 1.82 3.07 -1.95 -1.25 114.58 116.68 1u81 h GLU 168 Ca -0.06 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 1u81 h GLU 168 Cb 0.52 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1u81 h GLU 168 CO 0.08 0.25 -0.33 0.78 -1.40 0.00 0.00 179.01 178.39 1u81 h GLY 169 N 0.39 -0.98 0.63 -3.84 0.00 -1.45 -1.61 103.07 96.21 1u81 h GLY 169 Ca 0.47 0.36 0.05 0.00 0.00 0.00 0.00 47.33 48.22 1u81 h GLY 169 CO -0.48 -0.35 0.21 1.41 0.00 0.00 0.00 176.54 177.32 1u81 h LEU 170 N -1.11 0.26 0.35 3.11 3.38 -0.85 -1.16 115.31 119.28 1u81 h LEU 170 Ca -0.10 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1u81 h LEU 170 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1u81 h LEU 170 CO 0.16 0.18 -0.17 -0.78 0.09 0.00 0.00 178.44 177.92 1u81 h ASP 171 N 0.41 -0.39 -0.30 -0.43 3.58 -1.29 -0.46 116.42 117.54 1u81 h ASP 171 Ca 0.22 -0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.69 1u81 h ASP 171 Cb 0.19 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.27 1u81 h ASP 171 CO -0.20 -0.20 -0.14 -0.25 -2.88 0.00 0.00 179.24 175.57 1u81 h TRP 172 N -0.56 -0.34 0.32 0.28 7.01 -1.08 -0.76 115.95 120.82 1u81 h TRP 172 Ca -0.05 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1u81 h TRP 172 Cb 0.42 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 1u81 h TRP 172 CO -0.03 -0.21 -0.44 1.25 -2.79 0.00 0.00 178.44 176.22 1u81 h LEU 173 N -0.10 -1.23 -0.56 0.65 5.85 -1.14 -0.68 115.31 118.10 1u81 h LEU 173 Ca 0.16 0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1u81 h LEU 173 Cb 0.33 0.43 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 1u81 h LEU 173 CO -0.37 -0.56 -0.46 -1.28 -0.34 0.00 0.00 178.44 175.44 1u81 h SER 174 N -0.81 -1.57 0.10 1.25 0.87 -0.46 0.19 113.55 113.12 1u81 h SER 174 Ca -0.02 0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1u81 h SER 174 Cb 0.75 0.70 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 1u81 h SER 174 CO -0.13 -0.34 -0.18 0.78 -0.53 0.00 0.00 176.83 176.42 1u81 h ASN 175 N -0.25 -0.50 0.43 6.23 2.35 -0.99 -0.12 115.58 122.73 1u81 h ASN 175 Ca 0.16 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1u81 h ASN 175 Cb 0.56 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 1u81 h ASN 175 CO -0.68 -0.26 -0.51 1.56 -1.65 0.00 0.00 177.43 175.89 1u81 h GLN 176 N -0.35 -0.92 -0.27 0.81 1.08 -0.30 0.24 115.11 115.40 1u81 h GLN 176 Ca 0.02 0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1u81 h GLN 176 Cb 0.37 0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.97 1u81 h GLN 176 CO -0.10 -0.61 0.03 -0.07 -0.95 0.00 0.00 178.83 177.12 1u81 h LEU 177 N -0.96 -0.05 -1.24 1.46 3.38 -0.96 0.52 115.31 117.47 1u81 h LEU 177 Ca -0.05 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1u81 h LEU 177 Cb 0.85 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1u81 h LEU 177 CO -0.11 0.01 0.32 -0.09 0.09 0.00 0.00 178.44 178.66 1u81 h ARG 178 N 0.11 0.85 0.05 1.13 2.43 -0.80 -2.72 114.38 115.43 1u81 h ARG 178 Ca 0.13 -0.09 -0.25 0.00 -0.81 0.00 0.00 59.98 58.95 1u81 h ARG 178 Cb 0.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1u81 h ARG 178 CO -0.19 0.64 -1.26 -0.91 -1.51 0.00 0.00 179.97 176.73 1u81 h ASN 179 N 0.85 0.17 0.43 -3.80 2.35 0.19 -3.34 115.58 112.44 1u81 h ASN 179 Ca 0.22 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1u81 h ASN 179 Cb 0.04 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1u81 h ASN 179 CO -0.03 1.17 -0.10 1.56 -1.65 0.00 0.00 177.43 178.37 1u81 h GLN 180 N 0.03 0.00 -0.02 0.81 4.20 0.34 -3.51 115.11 116.96 1u81 h GLN 180 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1u81 h GLN 180 Cb 1.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.68 1u81 h GLN 180 CO 0.14 0.10 0.00 1.63 -0.67 0.00 0.00 178.83 180.04