#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 3.54 -0.13 3.17 3.52 -1.26 -1.70 118.95 126.09 1u81 s ARG 19 Ca 0.00 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 1u81 s ARG 19 Cb 0.00 -2.82 0.04 0.00 -1.56 0.00 0.00 34.95 30.61 1u81 s ARG 19 CO 0.00 0.19 0.00 0.42 -0.81 0.00 0.00 175.30 175.11 1u81 s ILE 20 N 0.46 0.54 0.43 4.11 1.09 -0.90 -1.03 121.20 125.90 1u81 s ILE 20 Ca -0.06 -0.22 -0.25 0.00 -1.10 0.00 0.00 60.65 59.02 1u81 s ILE 20 Cb -0.15 -0.82 -0.08 0.00 -1.06 0.00 0.00 42.46 40.35 1u81 s ILE 20 CO 0.04 0.09 1.24 -0.76 -0.10 0.00 0.00 174.94 175.44 1u81 s LEU 21 N 1.88 4.11 -0.53 2.97 1.43 -1.26 -2.22 118.68 125.07 1u81 s LEU 21 Ca 0.02 2.50 0.06 0.00 -1.03 0.00 0.00 54.13 55.68 1u81 s LEU 21 Cb -0.14 -4.06 0.21 0.00 0.03 0.00 0.00 46.19 42.22 1u81 s LEU 21 CO -0.07 -0.91 0.51 0.80 0.23 0.00 0.00 176.35 176.92 1u81 n MET 22 N -0.18 1.23 -3.26 1.70 1.56 -0.31 0.11 117.12 117.96 1u81 n MET 22 Ca 0.06 -3.83 -0.32 0.00 -0.27 0.00 0.00 57.70 53.34 1u81 n MET 22 Cb 0.46 -1.83 -0.06 0.00 2.15 0.00 0.00 33.22 33.94 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 -1.18 4.82 0.00 1.12 -7.23 0.12 -4.22 120.40 113.83 1u81 s VAL 23 Ca 0.33 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 1u81 s VAL 23 Cb 0.08 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.39 1u81 s VAL 23 CO -0.13 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1u81 n GLY 24 N -0.33 0.83 0.00 2.32 0.00 -1.26 -0.55 105.19 106.21 1u81 n GLY 24 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.76 0.99 4.77 -1.26 -3.68 117.00 113.06 1u81 n LEU 25 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1u81 n LEU 25 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1u81 n LEU 25 CO 0.00 -0.20 0.01 1.51 -1.33 0.00 0.00 177.39 177.38 1u81 s ASP 26 N -1.39 6.52 -0.67 -1.43 1.47 -1.26 -4.14 116.67 115.76 1u81 s ASP 26 Ca 0.00 0.61 0.00 0.00 1.18 0.00 0.00 52.55 54.34 1u81 s ASP 26 Cb 0.00 -2.19 0.00 0.00 -0.34 0.00 0.00 42.92 40.39 1u81 s ASP 26 CO 0.00 0.15 0.00 0.00 0.68 0.00 0.00 175.17 176.00 1u81 n ALA 27 N 3.19 -0.11 -0.03 2.11 0.00 -1.26 -4.95 120.51 119.45 1u81 n ALA 27 Ca -0.12 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1u81 n ALA 27 Cb 0.52 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 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 0.05 0.05 0.00 0.00 0.00 -1.90 -3.48 119.26 113.98 1u81 h ALA 28 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1u81 h ALA 28 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1u81 h ALA 28 CO 0.19 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1u81 n GLY 29 N 0.74 -0.63 0.12 0.00 0.00 -1.26 -4.58 105.19 99.58 1u81 n GLY 29 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.15 0.00 1.61 1.57 -1.92 -2.13 116.57 115.55 1u81 h LYS 30 Ca 0.00 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1u81 h LYS 30 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1u81 h LYS 30 CO 0.00 -0.10 -0.28 1.15 -0.57 0.00 0.00 179.45 179.66 1u81 h THR 31 N -0.15 1.06 0.62 -0.16 2.02 -1.98 -2.45 112.91 111.87 1u81 h THR 31 Ca 0.01 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1u81 h THR 31 Cb 0.16 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1u81 h THR 31 CO -0.04 0.27 -0.30 0.74 0.37 0.00 0.00 175.52 176.57 1u81 h THR 32 N 0.00 0.14 -0.85 3.16 2.02 -1.87 0.68 112.91 116.18 1u81 h THR 32 Ca -0.00 -0.37 0.20 0.00 0.77 0.00 0.00 66.41 67.01 1u81 h THR 32 Cb 0.53 0.19 -0.16 0.00 -1.74 0.00 0.00 68.15 66.98 1u81 h THR 32 CO 0.04 0.02 -0.06 0.40 0.37 0.00 0.00 175.52 176.29 1u81 h ILE 33 N -1.15 0.19 -0.55 3.11 2.04 -1.30 0.81 117.51 120.66 1u81 h ILE 33 Ca -0.08 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1u81 h ILE 33 Cb 0.67 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1u81 h ILE 33 CO 0.14 0.01 0.03 -0.07 0.00 0.00 0.00 178.15 178.25 1u81 h LEU 34 N 0.05 0.89 -2.16 1.44 3.38 -1.27 -0.21 115.31 117.43 1u81 h LEU 34 Ca 0.46 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1u81 h LEU 34 Cb 0.83 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u81 h LEU 34 CO -0.81 0.94 0.05 0.22 0.09 0.00 0.00 178.44 178.93 1u81 h TYR 35 N 0.86 0.00 0.02 1.13 3.20 0.68 0.35 116.97 123.21 1u81 h TYR 35 Ca 0.17 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1u81 h TYR 35 Cb 0.47 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1u81 h TYR 35 CO 0.03 0.00 -0.50 0.87 -1.64 0.00 0.00 178.16 176.92 1u81 h LYS 36 N 0.00 0.05 -0.99 1.82 1.79 0.14 -3.35 116.57 116.03 1u81 h LYS 36 Ca 0.03 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.47 1u81 h LYS 36 Cb 0.13 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 1u81 h LYS 36 CO -0.00 1.04 0.64 -0.07 -1.08 0.00 0.00 179.45 179.98 1u81 h LEU 37 N -0.89 1.05 -1.94 2.94 3.38 -0.58 -3.47 115.31 115.80 1u81 h LEU 37 Ca -0.12 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.52 1u81 h LEU 37 Cb 1.20 -0.23 0.16 0.00 0.09 0.00 0.00 40.66 41.87 1u81 h LEU 37 CO -0.03 0.70 -0.81 0.29 0.09 0.00 0.00 178.44 178.67 1u81 n LYS 38 N -4.46 -4.99 -0.07 1.13 5.02 0.12 -4.86 118.16 110.04 1u81 n LYS 38 Ca 0.14 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 1u81 n LYS 38 Cb 0.14 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.47 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 -3.92 3.28 -0.24 -0.35 4.77 -1.26 -4.92 117.00 114.35 1u81 n LEU 39 Ca -0.23 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1u81 n LEU 39 Cb 0.66 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1u81 n LEU 39 CO 0.62 0.56 -0.07 0.61 -1.33 0.00 0.00 177.39 177.78 1u81 n GLY 40 N 0.65 -3.10 1.67 -0.72 0.00 -1.26 -4.78 105.19 97.65 1u81 n GLY 40 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.36 0.00 -2.59 1.61 1.02 -1.26 -4.77 120.64 113.28 1u81 n GLU 41 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1u81 n GLU 41 Cb 0.04 -0.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.76 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 1.44 4.57 -0.98 -3.67 1.01 -1.26 -4.97 121.20 117.34 1u81 s ILE 42 Ca 0.48 1.86 -0.24 0.00 0.00 0.00 0.00 60.65 62.75 1u81 s ILE 42 Cb -0.67 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 37.64 1u81 s ILE 42 CO 0.36 -0.02 1.45 -0.69 0.00 0.00 0.00 174.94 176.04 1u81 s VAL 43 N 2.23 3.87 -1.17 2.92 1.01 -1.26 -4.91 120.40 123.09 1u81 s VAL 43 Ca 0.51 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1u81 s VAL 43 Cb -0.20 -5.00 0.18 0.00 0.00 0.00 0.00 36.38 31.35 1u81 s VAL 43 CO 0.18 -1.89 1.37 -0.89 0.00 0.00 0.00 175.10 173.88 1u81 s THR 44 N 5.28 5.10 1.30 3.92 2.01 -1.26 -4.08 115.64 127.91 1u81 s THR 44 Ca 0.45 -2.62 -0.21 0.00 0.31 0.00 0.00 61.69 59.62 1u81 s THR 44 Cb -0.01 -4.87 0.32 0.00 0.01 0.00 0.00 72.50 67.95 1u81 s THR 44 CO -0.06 -1.57 1.04 0.42 -0.69 0.00 0.00 174.62 173.76 1u81 s THR 45 N 1.40 1.42 -0.46 -0.82 -4.23 -1.25 -4.95 115.64 106.75 1u81 s THR 45 Ca 0.41 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1u81 s THR 45 Cb -0.04 -2.33 0.13 0.00 1.34 0.00 0.00 72.50 71.61 1u81 s THR 45 CO -0.02 0.00 0.23 -0.63 -0.54 0.00 0.00 174.62 173.66 1u81 s ILE 46 N -2.72 1.94 0.00 2.99 1.01 -1.26 -4.08 121.20 119.08 1u81 s ILE 46 Ca 0.70 -2.80 0.00 0.00 0.00 0.00 0.00 60.65 58.55 1u81 s ILE 46 Cb -0.10 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1u81 s ILE 46 CO 0.57 -0.82 0.58 -2.65 0.00 0.00 0.00 174.94 172.62 1u81 n PRO 47 N 3.48 0.00 -5.20 2.79 -0.02 -1.21 -4.82 135.00 130.02 1u81 n PRO 47 Ca 0.06 0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.35 1u81 n PRO 47 Cb 0.34 -1.08 -0.16 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.33 2.22 0.00 3.45 -4.23 -1.14 -4.97 115.64 109.63 1u81 s THR 48 Ca 0.00 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1u81 s THR 48 Cb 0.00 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1u81 s THR 48 CO 0.00 0.57 0.62 -0.38 -0.54 0.00 0.00 174.62 174.89 1u81 n ILE 49 N 2.90 0.00 0.00 2.99 -0.00 -1.26 0.10 119.36 124.09 1u81 n ILE 49 Ca -0.17 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.25 1u81 n ILE 49 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 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 2.89 3.81 3.47 7.39 0.00 -1.26 -5.06 105.19 116.43 1u81 n GLY 50 Ca 0.00 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.03 2.78 -0.03 1.61 5.36 0.29 -5.02 117.98 122.95 1u81 s PHE 51 Ca 0.00 -0.82 -0.02 0.00 -0.96 0.00 0.00 56.93 55.13 1u81 s PHE 51 Cb 0.00 -4.34 -0.04 0.00 -0.34 0.00 0.00 43.02 38.30 1u81 s PHE 51 CO 0.00 -1.65 0.13 -0.80 -1.46 0.00 0.00 175.22 171.44 1u81 s ASN 52 N 3.79 6.05 -0.03 6.13 -0.87 -1.26 -2.89 114.94 125.87 1u81 s ASN 52 Ca 0.28 0.28 0.02 0.00 -1.57 0.00 0.00 52.86 51.87 1u81 s ASN 52 Cb -0.11 -1.84 0.00 0.00 -0.02 0.00 0.00 41.25 39.28 1u81 s ASN 52 CO 0.02 0.29 -0.08 -0.69 -2.57 0.00 0.00 177.10 174.07 1u81 s VAL 53 N -1.21 0.73 -1.00 1.60 1.01 -1.26 -4.36 120.40 115.90 1u81 s VAL 53 Ca 0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 1u81 s VAL 53 Cb -0.12 -0.66 0.25 0.00 0.00 0.00 0.00 36.38 35.85 1u81 s VAL 53 CO 0.14 0.23 0.97 -1.61 0.00 0.00 0.00 175.10 174.83 1u81 s GLU 54 N 0.23 3.91 -0.23 2.72 2.02 -1.07 -3.87 118.70 122.40 1u81 s GLU 54 Ca -0.03 -2.99 -0.27 0.00 0.02 0.00 0.00 54.97 51.69 1u81 s GLU 54 Cb -0.08 -4.44 -0.32 0.00 0.10 0.00 0.00 34.13 29.38 1u81 s GLU 54 CO 0.00 -1.25 1.61 2.41 0.02 0.00 0.00 175.26 178.05 1u81 n THR 55 N 3.05 0.00 -1.17 3.63 -1.04 -1.26 -2.96 114.28 114.52 1u81 n THR 55 Ca 0.20 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.83 1u81 n THR 55 Cb 0.41 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 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 7.15 3.87 -3.97 12.58 0.31 -1.01 -4.73 118.33 132.54 1u81 n VAL 56 Ca 0.42 -2.29 -0.30 0.00 -0.01 0.00 0.00 64.34 62.15 1u81 n VAL 56 Cb 0.42 -2.49 -0.16 0.00 -0.91 0.00 0.00 33.84 30.70 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 2.37 1.84 -0.28 5.55 2.02 -1.26 0.67 118.70 129.62 1u81 s GLU 57 Ca 0.63 -0.89 -0.19 0.00 0.02 0.00 0.00 54.97 54.54 1u81 s GLU 57 Cb 0.17 -2.46 0.10 0.00 0.10 0.00 0.00 34.13 32.04 1u81 s GLU 57 CO -0.05 -0.50 0.82 -0.47 0.02 0.00 0.00 175.26 175.08 1u81 s TYR 58 N 1.40 -0.80 0.00 1.61 5.04 -0.21 -4.95 117.35 119.43 1u81 s TYR 58 Ca -0.03 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1u81 s TYR 58 Cb -0.17 0.46 0.00 0.00 0.35 0.00 0.00 41.96 42.59 1u81 s TYR 58 CO -0.07 -0.40 0.00 1.63 -1.34 0.00 0.00 175.55 175.37 1u81 n LYS 59 N 3.56 0.00 -0.08 4.97 5.02 -1.26 -3.37 118.16 127.00 1u81 n LYS 59 Ca -0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.04 1u81 n LYS 59 Cb 0.57 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.67 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 9.44 0.77 -3.37 4.39 -1.07 -2.00 -3.38 115.58 120.36 1u81 h ASN 60 Ca 0.00 -0.29 -0.55 0.00 0.07 0.00 0.00 56.30 55.53 1u81 h ASN 60 Cb 0.00 -0.21 -0.04 0.00 -2.07 0.00 0.00 38.32 36.00 1u81 h ASN 60 CO 0.00 0.99 0.07 -0.63 0.07 0.00 0.00 177.43 177.93 1u81 s ILE 61 N -4.55 4.69 -0.44 6.14 1.01 -1.22 -0.40 121.20 126.44 1u81 s ILE 61 Ca -0.09 1.45 0.05 0.00 0.00 0.00 0.00 60.65 62.06 1u81 s ILE 61 Cb 0.13 -4.02 0.17 0.00 0.01 0.00 0.00 42.46 38.75 1u81 s ILE 61 CO 0.84 0.46 0.49 -0.44 0.00 0.00 0.00 174.94 176.29 1u81 s SER 62 N -0.62 0.26 -0.35 3.58 0.01 -0.69 -1.05 113.70 114.84 1u81 s SER 62 Ca 0.34 -2.21 -0.22 0.00 1.31 0.00 0.00 55.95 55.16 1u81 s SER 62 Cb -0.20 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1u81 s SER 62 CO 0.21 -0.15 0.74 -0.36 0.41 0.00 0.00 173.24 174.09 1u81 s PHE 63 N 0.70 3.14 -0.63 2.43 0.08 0.21 -2.12 117.98 121.80 1u81 s PHE 63 Ca 0.28 0.55 -0.27 0.00 0.12 0.00 0.00 56.93 57.60 1u81 s PHE 63 Cb -0.02 -3.28 0.03 0.00 -0.57 0.00 0.00 43.02 39.18 1u81 s PHE 63 CO -0.10 -0.66 1.20 0.99 -0.10 0.00 0.00 175.22 176.54 1u81 s THR 64 N 2.95 3.96 0.31 0.64 2.01 -0.94 -2.39 115.64 122.17 1u81 s THR 64 Ca 0.29 0.67 0.04 0.00 0.31 0.00 0.00 61.69 63.01 1u81 s THR 64 Cb -0.14 -4.77 -0.02 0.00 0.01 0.00 0.00 72.50 67.58 1u81 s THR 64 CO 0.15 -1.49 0.45 -0.69 -0.69 0.00 0.00 174.62 172.36 1u81 s VAL 65 N 5.10 4.71 0.00 3.82 1.01 -1.16 -1.16 120.40 132.73 1u81 s VAL 65 Ca 0.39 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1u81 s VAL 65 Cb -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1u81 s VAL 65 CO 0.21 -0.30 0.00 -2.67 0.00 0.00 0.00 175.10 172.34 1u81 n TRP 66 N -1.61 0.00 -4.01 5.22 2.14 -1.26 -2.60 117.44 115.32 1u81 n TRP 66 Ca -0.04 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.25 1u81 n TRP 66 Cb 0.57 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 31.06 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 0.00 4.56 0.47 -0.67 1.01 -1.26 -4.32 116.67 116.46 1u81 s ASP 67 Ca 0.00 -1.30 0.04 0.00 0.71 0.00 0.00 52.55 52.00 1u81 s ASP 67 Cb 0.00 0.41 0.02 0.00 1.01 0.00 0.00 42.92 44.36 1u81 s ASP 67 CO 0.00 -1.06 0.66 0.68 0.21 0.00 0.00 175.17 175.66 1u81 s VAL 68 N -2.78 3.03 0.00 -1.27 -7.23 -1.24 -4.92 120.40 105.99 1u81 s VAL 68 Ca 0.30 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1u81 s VAL 68 Cb -0.02 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1u81 s VAL 68 CO 0.19 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1u81 n GLY 69 N -2.07 -0.77 5.33 2.32 0.00 -1.26 -5.02 105.19 103.73 1u81 n GLY 69 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.87 0.00 -0.02 0.00 -1.26 -2.54 105.19 102.24 1u81 n GLY 70 Ca 0.00 0.48 0.00 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 0.00 0.00 1.61 7.27 -1.26 -5.07 117.38 119.93 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 -0.58 -3.76 1.69 5.75 -1.05 -3.37 116.55 115.22 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 3.63 -3.45 0.11 4.81 -1.26 -4.72 118.16 117.28 1u81 n LYS 73 Ca 0.00 -3.31 -0.31 0.00 -0.87 0.00 0.00 58.31 53.83 1u81 n LYS 73 Cb 0.00 -2.94 0.03 0.00 0.02 0.00 0.00 35.03 32.14 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 3.40 -5.11 -3.74 3.15 3.06 -1.22 -5.03 119.36 113.88 1u81 n ILE 74 Ca 0.47 0.17 -0.19 0.00 -2.50 0.00 0.00 62.75 60.69 1u81 n ILE 74 Cb 0.34 -4.12 -0.17 0.00 0.54 0.00 0.00 39.64 36.23 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 -2.93 0.08 0.00 9.51 6.06 -1.23 -5.03 118.95 125.41 1u81 s ARG 75 Ca 0.29 0.27 0.00 0.00 -2.50 0.00 0.00 55.73 53.78 1u81 s ARG 75 Cb -0.04 -0.53 0.00 0.00 0.06 0.00 0.00 34.95 34.45 1u81 s ARG 75 CO 0.86 -0.27 0.21 -2.30 -2.50 0.00 0.00 175.30 171.30 1u81 n PRO 76 N 4.92 0.37 0.01 5.12 -0.02 -1.26 -3.81 135.00 140.33 1u81 n PRO 76 Ca -0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.21 1u81 n PRO 76 Cb 0.50 -1.20 -0.05 0.00 -0.02 0.00 0.00 33.50 32.73 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 0.78 0.79 -0.69 2.45 -0.00 -1.96 -3.22 115.31 113.46 1u81 h LEU 77 Ca 0.00 -0.54 0.15 0.00 -0.00 0.00 0.00 57.88 57.49 1u81 h LEU 77 Cb 0.21 -0.23 -0.11 0.00 -0.00 0.00 0.00 40.66 40.52 1u81 h LEU 77 CO 0.00 1.32 0.07 -0.50 -0.00 0.00 0.00 178.44 179.34 1u81 h TRP 78 N 0.43 0.09 0.09 0.17 4.06 -1.95 -1.16 115.95 117.67 1u81 h TRP 78 Ca -0.06 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1u81 h TRP 78 Cb 1.43 0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 29.65 1u81 h TRP 78 CO 0.07 -0.15 -0.08 0.00 -3.56 0.00 0.00 178.44 174.73 1u81 h ARG 79 N 0.17 -0.18 -0.11 0.49 -0.00 -1.86 -1.02 114.38 111.87 1u81 h ARG 79 Ca 0.38 0.01 0.03 0.00 -0.50 0.00 0.00 59.98 59.90 1u81 h ARG 79 Cb 0.64 0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.65 1u81 h ARG 79 CO -0.55 -0.12 0.19 0.45 0.00 0.00 0.00 179.97 179.94 1u81 h HIS 80 N -0.18 0.00 0.02 3.04 3.86 -1.27 0.48 115.15 121.09 1u81 h HIS 80 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1u81 h HIS 80 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1u81 h HIS 80 CO -0.11 0.00 -0.17 1.88 0.86 0.00 0.00 177.93 180.39 1u81 h TYR 81 N 0.00 0.14 -0.38 2.45 -1.99 -0.33 -3.36 116.97 113.50 1u81 h TYR 81 Ca 0.05 -0.09 -0.13 0.00 2.00 0.00 0.00 58.73 60.56 1u81 h TYR 81 Cb 0.43 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 1u81 h TYR 81 CO 0.00 0.97 -0.28 0.74 -0.00 0.00 0.00 178.16 179.59 1u81 h PHE 82 N -0.73 0.95 0.00 4.88 0.04 -0.01 -3.28 116.94 118.79 1u81 h PHE 82 Ca -0.03 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1u81 h PHE 82 Cb 1.03 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1u81 h PHE 82 CO 0.22 1.00 0.41 1.96 -0.60 0.00 0.00 178.31 181.31 1u81 h GLN 83 N 0.70 0.00 0.00 1.51 4.20 -0.25 -1.20 115.11 120.07 1u81 h GLN 83 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1u81 h GLN 83 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1u81 h GLN 83 CO 0.07 0.00 -0.13 0.27 -0.67 0.00 0.00 178.83 178.37 1u81 n ASN 84 N -2.82 1.38 -4.87 1.46 6.94 -1.24 -5.06 115.26 111.05 1u81 n ASN 84 Ca -0.02 -2.34 -0.32 0.00 -0.02 0.00 0.00 54.58 51.88 1u81 n ASN 84 Cb 0.45 -0.23 -0.05 0.00 -2.36 0.00 0.00 39.78 37.58 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 -1.41 4.93 -0.01 5.53 2.01 -0.45 -4.67 115.64 121.56 1u81 s THR 85 Ca 0.14 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1u81 s THR 85 Cb 0.12 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 1u81 s THR 85 CO 0.01 -0.06 -0.01 0.00 -0.69 0.00 0.00 174.62 173.88 1u81 n GLN 86 N -0.09 1.31 -0.07 4.92 1.13 -0.20 -5.00 117.38 119.38 1u81 n GLN 86 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1u81 n GLN 86 Cb 0.52 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.85 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 3.27 -0.75 0.00 1.08 0.00 -0.34 -4.46 105.19 103.99 1u81 n GLY 87 Ca -0.02 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1u81 n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u81 n LEU 88 N 0.00 0.00 -3.97 0.99 7.94 -1.26 -4.09 117.00 116.61 1u81 n LEU 88 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 1u81 n LEU 88 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 1u81 n LEU 88 CO 0.00 0.00 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.19 1u81 s ILE 89 N 0.00 1.25 -0.24 1.96 1.01 0.30 0.90 121.20 126.38 1u81 s ILE 89 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 1u81 s ILE 89 Cb 0.00 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1u81 s ILE 89 CO 0.00 0.40 -0.06 0.12 0.00 0.00 0.00 174.94 175.40 1u81 s PHE 90 N 1.39 3.01 -0.63 3.97 5.36 0.14 0.12 117.98 131.36 1u81 s PHE 90 Ca 0.00 -1.38 -0.22 0.00 -0.96 0.00 0.00 56.93 54.37 1u81 s PHE 90 Cb -0.13 -2.07 0.07 0.00 -0.34 0.00 0.00 43.02 40.55 1u81 s PHE 90 CO -0.06 -0.68 0.90 0.08 -1.46 0.00 0.00 175.22 173.99 1u81 s VAL 91 N 1.37 4.44 -0.85 3.12 1.01 0.29 -0.56 120.40 129.23 1u81 s VAL 91 Ca 0.02 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1u81 s VAL 91 Cb -0.16 -4.61 0.19 0.00 0.00 0.00 0.00 36.38 31.80 1u81 s VAL 91 CO -0.05 -1.32 0.87 -0.69 0.00 0.00 0.00 175.10 173.91 1u81 s VAL 92 N 3.74 5.34 -0.91 2.92 1.01 0.53 -4.27 120.40 128.76 1u81 s VAL 92 Ca 0.21 -2.18 -0.18 0.00 0.00 0.00 0.00 61.98 59.84 1u81 s VAL 92 Cb -0.18 -4.56 -0.25 0.00 0.00 0.00 0.00 36.38 31.39 1u81 s VAL 92 CO 0.11 -1.17 2.31 -0.67 0.00 0.00 0.00 175.10 175.68 1u81 n ASP 93 N 4.78 -0.10 0.13 3.32 -0.08 -1.26 -3.56 116.55 119.77 1u81 n ASP 93 Ca 0.16 -0.71 0.18 0.00 -1.51 0.00 0.00 54.79 52.91 1u81 n ASP 93 Cb 0.47 -0.96 0.76 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 12.17 0.00 0.00 1.67 0.02 -1.05 -2.99 113.55 123.37 1u81 h SER 94 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1u81 h SER 94 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1u81 h SER 94 CO 1.40 0.00 -0.33 -1.13 -1.14 0.00 0.00 176.83 175.63 1u81 h ASN 95 N 0.00 0.00 -0.05 3.07 -1.24 -1.74 -3.38 115.58 112.24 1u81 h ASN 95 Ca 0.15 -0.63 -0.01 0.00 0.71 0.00 0.00 56.30 56.52 1u81 h ASN 95 Cb 0.71 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.76 1u81 h ASN 95 CO -0.00 1.00 0.49 -0.67 -1.29 0.00 0.00 177.43 176.96 1u81 n ASP 96 N -4.60 -0.22 -0.92 1.15 -0.08 -1.13 -4.28 116.55 106.47 1u81 n ASP 96 Ca -0.13 -1.94 0.11 0.00 -1.51 0.00 0.00 54.79 51.33 1u81 n ASP 96 Cb 0.42 -1.20 0.27 0.00 2.34 0.00 0.00 41.12 42.95 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 6.47 2.20 -0.01 -0.67 1.85 -1.26 -4.26 116.66 120.98 1u81 n ARG 97 Ca 0.23 -1.82 -0.21 0.00 -1.00 0.00 0.00 57.85 55.05 1u81 n ARG 97 Cb 0.47 -1.46 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 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 1.04 0.74 -0.93 2.89 4.71 -1.26 -4.21 120.64 123.61 1u81 n GLU 98 Ca 0.18 0.28 -0.12 0.00 -0.01 0.00 0.00 57.16 57.48 1u81 n GLU 98 Cb 0.50 -1.70 0.20 0.00 -1.01 0.00 0.00 31.44 29.43 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 -3.54 2.65 0.06 3.49 1.74 -1.26 -4.42 116.66 115.38 1u81 n ARG 99 Ca -0.33 -2.50 0.19 0.00 -0.77 0.00 0.00 57.85 54.43 1u81 n ARG 99 Cb 1.02 -2.01 0.49 0.00 -1.02 0.00 0.00 32.46 30.94 1u81 n ARG 99 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1u81 h VAL 100 N 1.52 0.10 -0.03 1.55 3.04 -1.80 0.26 116.25 120.89 1u81 h VAL 100 Ca 0.38 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 66.04 1u81 h VAL 100 Cb 2.31 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1u81 h VAL 100 CO 0.77 0.00 -0.08 -0.55 -1.01 0.00 0.00 177.57 176.70 1u81 h ASN 101 N 0.00 0.13 -1.02 3.17 -1.07 -1.94 -1.56 115.58 113.29 1u81 h ASN 101 Ca 0.24 -0.59 0.26 0.00 0.07 0.00 0.00 56.30 56.28 1u81 h ASN 101 Cb 1.90 -0.04 -0.11 0.00 -2.07 0.00 0.00 38.32 38.00 1u81 h ASN 101 CO -0.00 0.69 0.63 -0.08 0.07 0.00 0.00 177.43 178.74 1u81 h GLU 102 N -0.43 0.49 0.30 4.14 4.81 -0.83 -1.50 114.58 121.56 1u81 h GLU 102 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1u81 h GLU 102 Cb 0.67 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1u81 h GLU 102 CO 0.02 0.33 -0.14 0.00 -0.73 0.00 0.00 179.01 178.48 1u81 h ALA 103 N 1.68 -0.40 -1.17 2.92 0.00 -1.46 -3.05 119.26 117.77 1u81 h ALA 103 Ca 0.63 -0.16 0.43 0.00 0.00 0.00 0.00 54.91 55.80 1u81 h ALA 103 Cb 1.35 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 19.15 1u81 h ALA 103 CO -0.40 -0.42 0.72 -2.13 0.00 0.00 0.00 179.25 177.02 1u81 n ARG 104 N -5.05 -0.04 -0.04 0.00 0.63 -0.59 0.32 116.66 111.89 1u81 n ARG 104 Ca -0.07 1.20 -0.14 0.00 -0.92 0.00 0.00 57.85 57.92 1u81 n ARG 104 Cb 0.23 -2.30 -0.08 0.00 0.45 0.00 0.00 32.46 30.76 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 0.36 0.00 -0.14 4.39 -1.32 -3.19 114.58 114.69 1u81 h GLU 105 Ca 0.81 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 60.27 1u81 h GLU 105 Cb 2.47 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 31.15 1u81 h GLU 105 CO -0.52 0.84 0.00 0.39 -1.16 0.00 0.00 179.01 178.56 1u81 n GLU 106 N -4.48 0.00 -0.07 2.33 -0.58 0.15 -3.47 120.64 114.53 1u81 n GLU 106 Ca -0.07 0.22 0.05 0.00 -0.42 0.00 0.00 57.16 56.94 1u81 n GLU 106 Cb 0.44 -1.08 0.09 0.00 -0.57 0.00 0.00 31.44 30.31 1u81 n GLU 106 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1u81 n LEU 107 N -1.17 0.02 -0.16 -4.62 7.94 -0.48 -0.76 117.00 117.76 1u81 n LEU 107 Ca 0.00 0.35 0.05 0.00 -1.11 0.00 0.00 56.01 55.30 1u81 n LEU 107 Cb 0.00 -0.15 0.11 0.00 0.53 0.00 0.00 43.42 43.92 1u81 n LEU 107 CO 0.00 -0.37 0.35 0.23 -1.11 0.00 0.00 177.39 176.49 1u81 n MET 108 N -3.81 -0.04 0.01 1.96 2.81 -1.20 0.07 117.12 116.92 1u81 n MET 108 Ca 0.06 0.70 -0.19 0.00 -1.81 0.00 0.00 57.70 56.47 1u81 n MET 108 Cb 0.20 -1.10 -0.14 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.21 -0.04 0.03 -0.00 -1.17 -3.30 114.38 110.11 1u81 h ARG 109 Ca 0.26 -0.36 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 1u81 h ARG 109 Cb 0.49 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.60 1u81 h ARG 109 CO -0.45 1.17 0.00 -1.33 0.00 0.00 0.00 179.97 179.36 1u81 n MET 110 N -4.21 0.17 0.01 0.04 2.81 0.11 -3.29 117.12 112.76 1u81 n MET 110 Ca -0.16 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.72 1u81 n MET 110 Cb 0.75 -1.02 -0.01 0.00 -0.71 0.00 0.00 33.22 32.24 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 0.22 -0.07 0.11 4.03 3.38 -1.53 -3.41 115.31 118.05 1u81 h LEU 111 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1u81 h LEU 111 Cb 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1u81 h LEU 111 CO 0.00 0.12 -1.63 0.00 0.09 0.00 0.00 178.44 177.02 1u81 h ALA 112 N -1.62 0.35 0.00 1.53 0.00 -1.82 -3.49 119.26 114.21 1u81 h ALA 112 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1u81 h ALA 112 Cb 0.06 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u81 h ALA 112 CO 0.01 1.21 0.00 0.39 0.00 0.00 0.00 179.25 180.87 1u81 n GLU 113 N -3.42 0.00 -0.05 0.00 -0.58 -1.23 -4.85 120.64 110.51 1u81 n GLU 113 Ca -0.19 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.40 1u81 n GLU 113 Cb 1.05 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.88 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 0.00 0.93 -1.41 1.62 5.19 -1.95 -3.23 116.42 117.58 1u81 h ASP 114 Ca 0.00 -0.54 0.48 0.00 -0.62 0.00 0.00 57.03 56.36 1u81 h ASP 114 Cb 0.00 -0.27 -0.13 0.00 0.18 0.00 0.00 39.33 39.11 1u81 h ASP 114 CO 0.00 1.33 0.92 -0.62 -3.12 0.00 0.00 179.24 177.75 1u81 n GLU 115 N -3.98 -0.03 -2.85 3.56 -0.58 -1.26 -0.96 120.64 114.54 1u81 n GLU 115 Ca -0.05 1.23 -0.32 0.00 -0.42 0.00 0.00 57.16 57.60 1u81 n GLU 115 Cb 0.67 -2.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.07 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 -4.64 5.50 0.00 -4.62 4.77 -1.22 -4.92 117.00 111.87 1u81 n LEU 116 Ca 0.40 -5.58 0.00 0.00 -0.03 0.00 0.00 56.01 50.80 1u81 n LEU 116 Cb 1.59 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1u81 n LEU 116 CO 0.20 2.24 0.02 0.54 -1.33 0.00 0.00 177.39 179.06 1u81 n ARG 117 N -0.15 0.00 -0.11 3.23 5.12 -0.13 -4.61 116.66 120.01 1u81 n ARG 117 Ca 0.36 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 56.18 1u81 n ARG 117 Cb 0.34 -0.34 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 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 0.92 -0.32 0.55 2.03 -1.91 -3.39 116.42 114.30 1u81 h ASP 118 Ca 0.00 -0.38 -0.52 0.00 -0.73 0.00 0.00 57.03 55.41 1u81 h ASP 118 Cb 0.00 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.24 1u81 h ASP 118 CO 0.00 1.14 0.63 0.00 -1.03 0.00 0.00 179.24 179.98 1u81 n ALA 119 N -2.52 -0.36 -2.08 4.15 0.00 -1.26 -4.63 120.51 113.81 1u81 n ALA 119 Ca -0.01 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 1u81 n ALA 119 Cb 0.49 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 2.80 3.64 -0.58 0.00 1.01 -1.26 -4.71 120.40 121.30 1u81 s VAL 120 Ca 0.70 0.72 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 1u81 s VAL 120 Cb -0.94 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1u81 s VAL 120 CO 0.46 -0.27 2.04 -0.22 0.00 0.00 0.00 175.10 177.11 1u81 s LEU 121 N 5.30 3.32 -0.74 3.92 2.96 -0.75 -4.14 118.68 128.55 1u81 s LEU 121 Ca 0.73 0.56 -0.27 0.00 -0.22 0.00 0.00 54.13 54.93 1u81 s LEU 121 Cb -0.26 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 43.94 1u81 s LEU 121 CO 0.30 -2.56 1.28 -0.22 -1.32 0.00 0.00 176.35 173.83 1u81 s LEU 122 N 10.14 3.19 -0.91 -0.68 2.96 0.26 -1.46 118.68 132.17 1u81 s LEU 122 Ca 0.77 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 54.03 1u81 s LEU 122 Cb -0.14 -2.56 0.15 0.00 0.50 0.00 0.00 46.19 44.15 1u81 s LEU 122 CO 0.22 -1.83 1.05 -0.69 -1.32 0.00 0.00 176.35 173.78 1u81 s VAL 123 N 5.69 4.94 -0.80 1.68 1.01 0.31 0.28 120.40 133.52 1u81 s VAL 123 Ca 0.35 -1.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.26 1u81 s VAL 123 Cb -0.08 -4.71 0.03 0.00 0.00 0.00 0.00 36.38 31.62 1u81 s VAL 123 CO 0.14 -1.40 1.36 -0.36 0.00 0.00 0.00 175.10 174.85 1u81 s PHE 124 N 2.06 2.29 -1.15 5.22 0.08 0.28 -4.00 117.98 122.76 1u81 s PHE 124 Ca 0.29 -0.17 -0.06 0.00 0.12 0.00 0.00 56.93 57.12 1u81 s PHE 124 Cb -0.06 -4.61 0.26 0.00 -0.57 0.00 0.00 43.02 38.04 1u81 s PHE 124 CO -0.09 -2.06 1.61 0.00 -0.10 0.00 0.00 175.22 174.58 1u81 n ALA 125 N 9.54 5.22 -1.48 5.36 0.00 -1.26 -0.34 120.51 137.54 1u81 n ALA 125 Ca 0.11 -4.63 -0.31 0.00 0.00 0.00 0.00 53.44 48.61 1u81 n ALA 125 Cb 0.50 -2.57 0.07 0.00 0.00 0.00 0.00 19.45 17.44 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 -0.78 4.97 -0.69 0.00 2.47 -1.23 -3.73 114.94 115.95 1u81 s ASN 126 Ca 0.34 1.61 -0.01 0.00 0.42 0.00 0.00 52.86 55.22 1u81 s ASN 126 Cb 0.06 -2.42 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1u81 s ASN 126 CO 0.07 -1.70 0.19 0.29 -3.72 0.00 0.00 177.10 172.23 1u81 n LYS 127 N -3.30 -1.73 -0.08 0.43 5.02 -1.23 -0.59 118.16 116.69 1u81 n LYS 127 Ca 0.08 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.64 1u81 n LYS 127 Cb 0.54 -4.23 -0.09 0.00 -0.02 0.00 0.00 35.03 31.22 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 -0.44 0.00 0.00 1.97 -0.00 -1.81 -3.18 115.11 111.66 1u81 h GLN 128 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 1u81 h GLN 128 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.64 1u81 h GLN 128 CO 0.24 0.74 0.05 -0.40 0.00 0.00 0.00 178.83 179.46 1u81 n ASP 129 N -4.59 0.00 -4.68 -0.69 5.75 -1.26 -4.65 116.55 106.43 1u81 n ASP 129 Ca -0.14 0.13 -0.42 0.00 -0.01 0.00 0.00 54.79 54.35 1u81 n ASP 129 Cb 0.43 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 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 -2.11 4.24 0.46 -2.12 1.43 -1.24 -4.93 118.68 114.41 1u81 s LEU 130 Ca 0.00 1.74 0.24 0.00 -1.03 0.00 0.00 54.13 55.08 1u81 s LEU 130 Cb 0.00 -3.55 1.25 0.00 0.03 0.00 0.00 46.19 43.92 1u81 s LEU 130 CO 0.00 -0.61 1.84 -0.65 0.23 0.00 0.00 176.35 177.15 1u81 h PRO 131 N 7.59 0.24 0.48 1.29 0.11 -1.93 -2.33 132.00 137.45 1u81 h PRO 131 Ca -0.31 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1u81 h PRO 131 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u81 h PRO 131 CO 0.90 0.16 -0.23 -0.97 -0.21 0.00 0.00 178.00 177.65 1u81 h ASN 132 N 0.25 -0.54 -1.29 -2.05 -1.24 -1.93 -3.46 115.58 105.32 1u81 h ASN 132 Ca 0.50 -0.08 -0.42 0.00 0.71 0.00 0.00 56.30 57.02 1u81 h ASN 132 Cb 1.53 0.14 0.20 0.00 0.73 0.00 0.00 38.32 40.92 1u81 h ASN 132 CO -0.15 -0.21 -1.73 0.00 -1.29 0.00 0.00 177.43 174.06 1u81 n ALA 133 N -2.53 -4.78 -1.22 1.57 0.00 -0.88 -4.81 120.51 107.85 1u81 n ALA 133 Ca -0.11 -0.75 -0.35 0.00 0.00 0.00 0.00 53.44 52.23 1u81 n ALA 133 Cb 0.31 -0.80 0.09 0.00 0.00 0.00 0.00 19.45 19.05 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 1.97 0.30 -0.49 0.00 2.81 -1.26 -4.95 117.12 115.51 1u81 n MET 134 Ca -0.02 0.16 -0.30 0.00 -1.81 0.00 0.00 57.70 55.73 1u81 n MET 134 Cb 0.50 -2.09 0.27 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.70 -0.30 0.22 7.83 2.20 -1.26 -4.67 114.94 117.25 1u81 s ASN 135 Ca 0.69 1.04 -0.10 0.00 -0.94 0.00 0.00 52.86 53.55 1u81 s ASN 135 Cb -0.32 -1.53 0.32 0.00 -2.00 0.00 0.00 41.25 37.71 1u81 s ASN 135 CO 0.55 -4.92 1.67 0.00 -2.94 0.00 0.00 177.10 171.46 1u81 h ALA 136 N -3.12 0.68 0.28 3.54 0.00 -1.96 -2.53 119.26 116.15 1u81 h ALA 136 Ca -0.50 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1u81 h ALA 136 Cb 1.34 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1u81 h ALA 136 CO 0.36 -0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.11 1u81 h ALA 137 N 1.55 -0.38 0.00 0.00 0.00 -2.03 -3.20 119.26 115.20 1u81 h ALA 137 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1u81 h ALA 137 Cb 0.54 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1u81 h ALA 137 CO -0.50 -0.35 0.00 -0.85 0.00 0.00 0.00 179.25 177.55 1u81 n GLU 138 N -4.98 0.00 0.09 0.00 0.28 -1.22 -2.55 120.64 112.26 1u81 n GLU 138 Ca -0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.82 1u81 n GLU 138 Cb 0.15 -1.11 -0.08 0.00 1.43 0.00 0.00 31.44 31.82 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 0.96 -0.10 3.84 1.08 -1.44 -3.14 117.51 118.71 1u81 h ILE 139 Ca 0.00 -0.63 -0.24 0.00 -0.39 0.00 0.00 64.86 63.61 1u81 h ILE 139 Cb 0.00 1.35 0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1u81 h ILE 139 CO 0.00 0.15 -0.86 0.74 -0.69 0.00 0.00 178.15 177.48 1u81 h THR 140 N -0.52 1.29 0.00 -0.27 2.02 -1.73 -3.35 112.91 110.35 1u81 h THR 140 Ca -0.02 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1u81 h THR 140 Cb 0.40 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1u81 h THR 140 CO 0.04 0.65 0.00 -0.67 0.37 0.00 0.00 175.52 175.91 1u81 n ASP 141 N -3.90 0.00 0.11 4.18 2.03 -1.24 -2.03 116.55 115.71 1u81 n ASP 141 Ca -0.08 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1u81 n ASP 141 Cb 0.79 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 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 -0.35 0.01 -0.03 -0.67 4.76 -1.19 0.19 118.16 120.88 1u81 n LYS 142 Ca 0.00 0.32 -0.10 0.00 -2.87 0.00 0.00 58.31 55.66 1u81 n LYS 142 Cb 0.00 -1.82 -0.14 0.00 -1.84 0.00 0.00 35.03 31.23 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 -1.36 0.88 0.00 -0.35 4.77 -0.88 -4.99 117.00 115.07 1u81 n LEU 143 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1u81 n LEU 143 Cb 0.58 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1u81 n LEU 143 CO 0.00 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1u81 n GLY 144 N 1.63 0.79 0.57 -0.72 0.00 0.51 -4.90 105.19 103.07 1u81 n GLY 144 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 1.65 0.03 0.99 4.77 -1.23 -2.45 117.00 120.75 1u81 n LEU 145 Ca 0.00 -0.79 -0.21 0.00 -0.03 0.00 0.00 56.01 54.97 1u81 n LEU 145 Cb 0.00 -0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 1u81 n LEU 145 CO 0.00 0.40 -0.71 -0.74 -1.33 0.00 0.00 177.39 175.00 1u81 h HIS 146 N 1.90 0.53 0.00 -1.77 2.76 -1.87 -3.42 115.15 113.28 1u81 h HIS 146 Ca 0.00 -0.39 -0.16 0.00 -2.20 0.00 0.00 60.37 57.62 1u81 h HIS 146 Cb 0.43 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1u81 h HIS 146 CO 0.18 1.72 -1.60 -1.13 -1.30 0.00 0.00 177.93 175.81 1u81 n SER 147 N -3.50 3.01 -4.60 3.26 3.41 -1.25 -4.98 113.62 108.98 1u81 n SER 147 Ca -0.29 -0.02 -0.45 0.00 -0.26 0.00 0.00 58.87 57.85 1u81 n SER 147 Cb 1.06 0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 65.31 1u81 n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u81 n LEU 148 N -2.52 3.30 0.00 1.04 4.77 -1.03 -4.95 117.00 117.61 1u81 n LEU 148 Ca -0.16 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1u81 n LEU 148 Cb 0.75 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1u81 n LEU 148 CO 0.15 -0.41 0.00 0.54 -1.33 0.00 0.00 177.39 176.34 1u81 n ARG 149 N 8.07 2.92 0.00 3.23 5.12 -1.26 -4.85 116.66 129.88 1u81 n ARG 149 Ca 0.29 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 1u81 n ARG 149 Cb 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.68 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 -0.04 0.00 -2.11 -1.55 8.25 -1.26 -4.90 115.22 113.61 1u81 n HIS 150 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1u81 n HIS 150 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 4.27 0.13 -0.41 3.52 -1.26 -4.93 118.95 120.26 1u81 s ARG 151 Ca 0.00 2.12 -0.33 0.00 -0.13 0.00 0.00 55.73 57.39 1u81 s ARG 151 Cb 0.00 -3.45 -0.13 0.00 -1.56 0.00 0.00 34.95 29.81 1u81 s ARG 151 CO 0.00 -0.58 1.70 -1.71 -0.81 0.00 0.00 175.30 173.91 1u81 n ASN 152 N 4.91 3.51 -3.09 -2.12 2.85 -1.26 -4.94 115.26 115.12 1u81 n ASN 152 Ca 0.13 1.04 -0.12 0.00 -0.11 0.00 0.00 54.58 55.52 1u81 n ASN 152 Cb 0.42 -1.47 -0.01 0.00 1.24 0.00 0.00 39.78 39.96 1u81 n ASN 152 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1u81 s TRP 153 N 1.80 0.66 -0.29 1.20 1.48 -1.26 -1.80 118.94 120.73 1u81 s TRP 153 Ca 0.81 -1.09 -0.25 0.00 -1.06 0.00 0.00 56.10 54.51 1u81 s TRP 153 Cb -0.61 0.32 0.16 0.00 -1.16 0.00 0.00 33.47 32.19 1u81 s TRP 153 CO 0.39 -1.33 1.28 -0.47 -4.06 0.00 0.00 176.95 172.75 1u81 s TYR 154 N -2.71 -0.21 -0.21 1.66 5.04 -0.54 -4.74 117.35 115.65 1u81 s TYR 154 Ca 0.24 0.51 -0.09 0.00 -2.44 0.00 0.00 57.07 55.29 1u81 s TYR 154 Cb -0.03 0.44 0.08 0.00 0.35 0.00 0.00 41.96 42.80 1u81 s TYR 154 CO 0.17 -0.11 0.47 -1.50 -1.34 0.00 0.00 175.55 173.24 1u81 s ILE 155 N 0.01 -0.33 0.09 3.14 2.07 -1.26 -0.53 121.20 124.39 1u81 s ILE 155 Ca 0.06 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.42 1u81 s ILE 155 Cb -0.05 -0.71 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1u81 s ILE 155 CO -0.11 0.04 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.31 1u81 s GLN 156 N 2.00 0.79 -0.10 3.50 2.00 -1.26 -5.05 119.66 121.55 1u81 s GLN 156 Ca -0.06 -1.25 -0.29 0.00 -2.00 0.00 0.00 55.36 51.76 1u81 s GLN 156 Cb -0.10 -0.22 -0.07 0.00 0.80 0.00 0.00 33.01 33.43 1u81 s GLN 156 CO -0.14 -0.01 2.03 0.00 -0.50 0.00 0.00 175.29 176.67 1u81 s ALA 157 N -3.29 3.19 -0.14 1.58 0.00 -1.26 -4.14 121.76 117.70 1u81 s ALA 157 Ca 0.09 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1u81 s ALA 157 Cb 0.03 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 1u81 s ALA 157 CO -0.04 -2.12 -0.10 0.95 0.00 0.00 0.00 175.76 174.45 1u81 s THR 158 N 6.14 3.34 -0.37 0.00 -4.23 -1.24 -3.31 115.64 115.97 1u81 s THR 158 Ca 0.91 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 60.89 1u81 s THR 158 Cb -0.37 -2.43 0.11 0.00 1.34 0.00 0.00 72.50 71.16 1u81 s THR 158 CO 0.37 0.51 0.13 0.00 -0.54 0.00 0.00 174.62 175.10 1u81 h ALA 160 N 7.50 0.75 -0.40 0.00 0.00 -1.89 0.25 119.26 125.48 1u81 h ALA 160 Ca -0.07 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1u81 h ALA 160 Cb 0.99 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1u81 h ALA 160 CO 0.51 0.61 -0.54 1.79 0.00 0.00 0.00 179.25 181.61 1u81 h THR 161 N 0.89 0.01 0.07 0.00 1.35 -1.94 -3.08 112.91 110.21 1u81 h THR 161 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1u81 h THR 161 Cb 0.58 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1u81 h THR 161 CO 0.03 0.00 -0.03 0.77 -0.25 0.00 0.00 175.52 176.04 1u81 h SER 162 N -0.40 -0.08 0.00 5.36 4.64 -2.00 -3.48 113.55 117.59 1u81 h SER 162 Ca 0.08 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1u81 h SER 162 Cb 0.60 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1u81 h SER 162 CO -0.59 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1u81 n GLY 163 N 0.93 1.31 3.48 -0.77 0.00 0.83 -5.13 105.19 105.84 1u81 n GLY 163 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.33 0.00 1.61 2.03 -0.88 -3.08 116.55 114.90 1u81 n ASP 164 Ca 0.00 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1u81 n ASP 164 Cb 0.00 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 1.09 1.07 0.27 0.27 0.00 -1.21 -1.07 105.19 105.61 1u81 n GLY 165 Ca 0.06 0.00 -0.06 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 0.80 0.75 0.99 3.38 -1.82 -2.89 115.31 116.53 1u81 h LEU 166 Ca 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1u81 h LEU 166 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1u81 h LEU 166 CO 0.00 0.68 -0.43 0.22 0.09 0.00 0.00 178.44 179.00 1u81 h TYR 167 N 0.87 -1.13 -0.85 1.13 5.03 -1.83 -1.86 116.97 118.33 1u81 h TYR 167 Ca 0.22 -0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.68 1u81 h TYR 167 Cb 0.06 0.39 -0.10 0.00 1.55 0.00 0.00 36.73 38.63 1u81 h TYR 167 CO -0.01 -0.65 0.41 0.93 -1.32 0.00 0.00 178.16 177.52 1u81 h GLU 168 N -1.09 0.53 0.79 1.82 3.07 -1.95 -1.55 114.58 116.20 1u81 h GLU 168 Ca -0.10 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1u81 h GLU 168 Cb 0.86 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1u81 h GLU 168 CO 0.13 0.35 -0.38 0.78 -1.40 0.00 0.00 179.01 178.49 1u81 h GLY 169 N 0.55 -1.10 0.61 -3.84 0.00 -1.37 -1.39 103.07 96.52 1u81 h GLY 169 Ca 0.48 0.41 0.06 0.00 0.00 0.00 0.00 47.33 48.28 1u81 h GLY 169 CO -0.41 -0.40 0.17 1.41 0.00 0.00 0.00 176.54 177.31 1u81 h LEU 170 N -1.21 0.19 0.18 3.11 3.38 -1.02 -2.03 115.31 117.92 1u81 h LEU 170 Ca -0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1u81 h LEU 170 Cb 0.82 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1u81 h LEU 170 CO 0.18 0.14 -0.09 -0.78 0.09 0.00 0.00 178.44 177.98 1u81 h ASP 171 N 0.35 -0.21 -0.24 -0.43 3.58 -1.34 -1.98 116.42 116.15 1u81 h ASP 171 Ca 0.21 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.68 1u81 h ASP 171 Cb 0.20 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.24 1u81 h ASP 171 CO -0.21 -0.09 -0.20 -0.25 -2.88 0.00 0.00 179.24 175.61 1u81 h TRP 172 N -0.32 -0.52 0.52 0.28 7.01 -1.00 -0.98 115.95 120.94 1u81 h TRP 172 Ca -0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1u81 h TRP 172 Cb 0.24 0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1u81 h TRP 172 CO -0.04 -0.28 -0.51 1.25 -2.79 0.00 0.00 178.44 176.07 1u81 h LEU 173 N -0.20 -1.39 -0.78 0.65 5.85 -1.33 0.01 115.31 118.11 1u81 h LEU 173 Ca 0.14 0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.09 1u81 h LEU 173 Cb 0.41 0.46 -0.13 0.00 0.37 0.00 0.00 40.66 41.76 1u81 h LEU 173 CO -0.36 -0.68 -0.37 -1.28 -0.34 0.00 0.00 178.44 175.41 1u81 h SER 174 N -1.02 -1.32 0.01 1.25 0.87 -0.96 -0.21 113.55 112.17 1u81 h SER 174 Ca -0.07 0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1u81 h SER 174 Cb 0.88 0.67 -0.02 0.00 -0.44 0.00 0.00 62.40 63.50 1u81 h SER 174 CO -0.06 -0.30 -0.07 0.78 -0.53 0.00 0.00 176.83 176.65 1u81 h ASN 175 N -0.09 -0.21 -0.17 6.23 2.35 -0.94 -2.70 115.58 120.05 1u81 h ASN 175 Ca 0.28 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.11 1u81 h ASN 175 Cb 0.57 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 1u81 h ASN 175 CO -0.82 -0.11 -0.25 1.56 -1.65 0.00 0.00 177.43 176.16 1u81 h GLN 176 N -0.13 -0.29 0.07 0.81 1.08 0.71 0.53 115.11 117.89 1u81 h GLN 176 Ca 0.03 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1u81 h GLN 176 Cb 0.17 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 1u81 h GLN 176 CO -0.07 -0.19 -0.21 -0.07 -0.95 0.00 0.00 178.83 177.34 1u81 h LEU 177 N -0.30 -0.60 -0.66 1.46 3.38 -1.16 0.73 115.31 118.16 1u81 h LEU 177 Ca 0.11 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1u81 h LEU 177 Cb 0.47 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1u81 h LEU 177 CO -0.34 -0.29 -0.35 -0.09 0.09 0.00 0.00 178.44 177.47 1u81 h ARG 178 N -0.38 0.65 0.14 1.13 2.43 -1.15 -3.30 114.38 113.90 1u81 h ARG 178 Ca 0.04 -0.31 -0.21 0.00 -0.81 0.00 0.00 59.98 58.69 1u81 h ARG 178 Cb 0.42 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1u81 h ARG 178 CO -0.14 0.91 -0.94 -0.91 -1.51 0.00 0.00 179.97 177.37 1u81 h ASN 179 N 0.55 0.48 -0.90 -3.80 2.35 0.38 -3.35 115.58 111.29 1u81 h ASN 179 Ca 0.06 -0.94 0.14 0.00 -0.55 0.00 0.00 56.30 55.01 1u81 h ASN 179 Cb 0.86 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.98 1u81 h ASN 179 CO 0.07 1.45 0.51 1.56 -1.65 0.00 0.00 177.43 179.37 1u81 h GLN 180 N -0.34 0.71 -0.02 0.81 4.20 0.40 -3.50 115.11 117.37 1u81 h GLN 180 Ca -0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1u81 h GLN 180 Cb 1.69 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1u81 h GLN 180 CO 0.14 0.47 0.00 1.63 -0.67 0.00 0.00 178.83 180.41