#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 3.57 -0.24 3.17 3.52 -1.26 -2.06 118.95 125.65 1u81 s ARG 19 Ca 0.00 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.69 1u81 s ARG 19 Cb 0.00 -2.44 0.13 0.00 -1.56 0.00 0.00 34.95 31.07 1u81 s ARG 19 CO 0.00 -0.10 0.40 0.42 -0.81 0.00 0.00 175.30 175.21 1u81 s ILE 20 N -2.58 -0.64 -0.67 4.11 1.09 -1.05 0.45 121.20 121.92 1u81 s ILE 20 Ca 0.46 -0.01 -0.27 0.00 -1.10 0.00 0.00 60.65 59.73 1u81 s ILE 20 Cb -0.10 -0.79 0.02 0.00 -1.06 0.00 0.00 42.46 40.53 1u81 s ILE 20 CO 0.41 -0.07 1.37 -0.76 -0.10 0.00 0.00 174.94 175.78 1u81 s LEU 21 N 2.58 3.26 -1.07 2.97 1.43 -1.18 -1.48 118.68 125.19 1u81 s LEU 21 Ca 0.10 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1u81 s LEU 21 Cb -0.15 -2.72 0.29 0.00 0.03 0.00 0.00 46.19 43.64 1u81 s LEU 21 CO -0.15 -1.84 1.30 0.80 0.23 0.00 0.00 176.35 176.69 1u81 n MET 22 N 9.10 4.02 -3.46 1.70 1.56 -0.90 0.60 117.12 129.74 1u81 n MET 22 Ca 0.08 -4.52 -0.38 0.00 -0.27 0.00 0.00 57.70 52.60 1u81 n MET 22 Cb 0.49 -2.51 -0.06 0.00 2.15 0.00 0.00 33.22 33.29 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 -2.20 5.00 -0.25 1.12 -7.23 -0.73 -3.79 120.40 112.31 1u81 s VAL 23 Ca 0.31 0.89 -0.36 0.00 -1.81 0.00 0.00 61.98 61.01 1u81 s VAL 23 Cb -0.01 -3.74 0.16 0.00 0.56 0.00 0.00 36.38 33.35 1u81 s VAL 23 CO 0.03 0.57 1.32 -0.83 -0.31 0.00 0.00 175.10 175.87 1u81 s GLY 24 N -1.01 -0.20 0.91 2.32 0.00 -1.26 -1.64 107.32 106.46 1u81 s GLY 24 Ca 0.24 1.93 -0.15 0.00 0.00 0.00 0.00 44.72 46.74 1u81 s GLY 24 CO 0.14 0.67 0.96 1.04 0.00 0.00 0.00 173.10 175.91 1u81 n LEU 25 N 0.04 0.00 -4.70 0.66 4.77 -1.26 -4.33 117.00 112.18 1u81 n LEU 25 Ca 0.03 -1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 1u81 n LEU 25 Cb 0.57 -0.82 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1u81 n LEU 25 CO 0.08 -1.67 1.18 1.51 -1.33 0.00 0.00 177.39 177.16 1u81 s ASP 26 N -4.30 6.74 -1.10 -1.43 1.47 -1.26 -2.88 116.67 113.91 1u81 s ASP 26 Ca 0.59 2.35 0.00 0.00 1.18 0.00 0.00 52.55 56.67 1u81 s ASP 26 Cb -0.04 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 1u81 s ASP 26 CO 0.43 -0.76 0.00 0.00 0.68 0.00 0.00 175.17 175.52 1u81 n ALA 27 N 4.86 -0.26 -0.07 2.11 0.00 -1.26 -4.93 120.51 120.95 1u81 n ALA 27 Ca 0.14 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 1u81 n ALA 27 Cb 0.42 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 0.29 0.30 0.00 0.00 0.00 -1.87 -3.47 119.26 114.52 1u81 h ALA 28 Ca -0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1u81 h ALA 28 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1u81 h ALA 28 CO 0.33 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1u81 n GLY 29 N 0.16 -0.81 0.08 0.00 0.00 -1.26 -4.49 105.19 98.87 1u81 n GLY 29 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.05 -0.04 1.61 1.57 -1.91 -2.02 116.57 115.83 1u81 h LYS 30 Ca 0.00 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1u81 h LYS 30 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1u81 h LYS 30 CO 0.00 0.03 -0.49 1.15 -0.57 0.00 0.00 179.45 179.57 1u81 h THR 31 N 0.05 1.35 0.75 -0.16 2.02 -1.99 -2.79 112.91 112.14 1u81 h THR 31 Ca 0.06 -1.70 -0.04 0.00 0.77 0.00 0.00 66.41 65.51 1u81 h THR 31 Cb 0.07 1.87 0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1u81 h THR 31 CO -0.10 0.49 -0.36 0.74 0.37 0.00 0.00 175.52 176.66 1u81 h THR 32 N 0.08 0.04 -0.85 3.16 2.02 -1.91 0.20 112.91 115.65 1u81 h THR 32 Ca 0.00 -0.25 0.20 0.00 0.77 0.00 0.00 66.41 67.13 1u81 h THR 32 Cb 0.90 0.05 -0.15 0.00 -1.74 0.00 0.00 68.15 67.20 1u81 h THR 32 CO 0.07 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.33 1u81 h ILE 33 N -1.25 0.20 -0.54 3.11 2.04 -1.38 0.58 117.51 120.28 1u81 h ILE 33 Ca -0.10 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1u81 h ILE 33 Cb 0.78 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1u81 h ILE 33 CO 0.17 0.01 0.05 -0.07 0.00 0.00 0.00 178.15 178.31 1u81 h LEU 34 N 0.06 0.84 -1.83 1.44 3.38 -1.33 -0.64 115.31 117.22 1u81 h LEU 34 Ca 0.47 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.36 1u81 h LEU 34 Cb 0.85 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1u81 h LEU 34 CO -0.79 0.88 0.36 0.22 0.09 0.00 0.00 178.44 179.20 1u81 h TYR 35 N 0.82 0.20 0.00 1.13 3.20 0.34 0.61 116.97 123.27 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 0.43 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1u81 h TYR 35 CO 0.03 0.09 -0.04 0.87 -1.64 0.00 0.00 178.16 177.47 1u81 h LYS 36 N 0.18 0.00 -0.97 1.82 1.79 -0.36 -3.36 116.57 115.67 1u81 h LYS 36 Ca 0.25 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.96 1u81 h LYS 36 Cb 0.74 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.26 1u81 h LYS 36 CO -0.04 0.00 0.53 -0.07 -1.08 0.00 0.00 179.45 178.79 1u81 h LEU 37 N -0.86 0.56 -2.53 2.94 3.38 -0.92 -3.46 115.31 114.42 1u81 h LEU 37 Ca 0.00 0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1u81 h LEU 37 Cb 0.04 0.07 0.13 0.00 0.09 0.00 0.00 40.66 40.99 1u81 h LEU 37 CO 0.00 0.05 -0.57 0.29 0.09 0.00 0.00 178.44 178.30 1u81 n LYS 38 N -4.95 -1.71 -0.09 1.13 5.02 0.21 -4.89 118.16 112.88 1u81 n LYS 38 Ca 0.26 0.85 0.01 0.00 -2.02 0.00 0.00 58.31 57.40 1u81 n LYS 38 Cb 0.74 -5.10 0.04 0.00 -0.02 0.00 0.00 35.03 30.69 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 -2.67 1.30 0.00 -0.35 4.77 -1.26 -4.93 117.00 113.86 1u81 n LEU 39 Ca -0.05 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1u81 n LEU 39 Cb 0.58 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1u81 n LEU 39 CO 0.48 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1u81 n GLY 40 N 0.19 -0.38 1.01 -0.72 0.00 -1.26 -4.89 105.19 99.14 1u81 n GLY 40 Ca 0.03 -1.36 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 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 0.60 0.00 -2.33 1.61 1.02 -1.26 -4.72 120.64 115.55 1u81 n GLU 41 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1u81 n GLU 41 Cb 0.00 -0.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.99 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 0.84 4.08 -0.94 -3.67 1.01 -1.26 -4.95 121.20 116.31 1u81 s ILE 42 Ca 0.29 1.27 -0.24 0.00 0.00 0.00 0.00 60.65 61.96 1u81 s ILE 42 Cb -0.41 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.16 1u81 s ILE 42 CO 0.22 -0.26 1.42 -0.69 0.00 0.00 0.00 174.94 175.63 1u81 s VAL 43 N 4.08 3.85 -1.29 2.92 1.01 -1.26 -4.91 120.40 124.81 1u81 s VAL 43 Ca 0.60 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1u81 s VAL 43 Cb -0.22 -5.00 0.14 0.00 0.00 0.00 0.00 36.38 31.31 1u81 s VAL 43 CO 0.21 -1.89 1.82 0.41 0.00 0.00 0.00 175.10 175.64 1u81 n THR 44 N 6.78 4.16 -1.52 3.92 -1.04 -1.26 -4.10 114.28 121.21 1u81 n THR 44 Ca 0.25 -4.24 -0.09 0.00 -2.04 0.00 0.00 64.05 57.93 1u81 n THR 44 Cb 0.50 -2.42 0.06 0.00 -1.82 0.00 0.00 70.33 66.65 1u81 n THR 44 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1u81 n THR 45 N 4.15 0.00 -3.84 12.58 -2.24 -1.21 -4.87 114.28 118.85 1u81 n THR 45 Ca 0.42 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.53 1u81 n THR 45 Cb 0.39 -1.71 -0.11 0.00 -2.10 0.00 0.00 70.33 66.79 1u81 n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1u81 s ILE 46 N -1.66 3.19 0.02 2.28 1.01 -1.26 -2.74 121.20 122.03 1u81 s ILE 46 Ca 0.23 -3.58 -0.10 0.00 0.00 0.00 0.00 60.65 57.19 1u81 s ILE 46 Cb -0.01 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.30 1u81 s ILE 46 CO 0.16 -0.91 1.16 -0.65 0.00 0.00 0.00 174.94 174.69 1u81 h PRO 47 N 6.25 -0.35 -5.51 2.79 0.11 -1.84 -3.41 132.00 130.04 1u81 h PRO 47 Ca 0.03 0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.57 1u81 h PRO 47 Cb 0.86 0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.94 1u81 h PRO 47 CO 0.73 -0.23 -0.21 0.95 -0.21 0.00 0.00 178.00 179.02 1u81 s THR 48 N -3.83 5.22 -0.08 -1.15 -4.23 -1.26 -5.01 115.64 105.31 1u81 s THR 48 Ca -0.05 0.72 -0.40 0.00 -1.18 0.00 0.00 61.69 60.78 1u81 s THR 48 Cb 0.01 -3.73 -0.19 0.00 1.34 0.00 0.00 72.50 69.93 1u81 s THR 48 CO 0.17 0.30 1.30 -0.38 -0.54 0.00 0.00 174.62 175.46 1u81 n ILE 49 N 4.02 0.03 0.00 2.99 -0.00 -1.26 -3.29 119.36 121.85 1u81 n ILE 49 Ca -0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1u81 n ILE 49 Cb 0.51 -0.44 0.00 0.00 -0.00 0.00 0.00 39.64 39.72 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 2.45 1.35 3.73 7.39 0.00 -1.26 -4.58 105.19 114.26 1u81 n GLY 50 Ca 0.22 -0.68 -0.41 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 0.00 3.57 0.24 1.61 5.36 -1.21 -5.03 117.98 122.52 1u81 s PHE 51 Ca 0.00 1.54 -0.21 0.00 -0.96 0.00 0.00 56.93 57.29 1u81 s PHE 51 Cb 0.00 -3.29 -0.09 0.00 -0.34 0.00 0.00 43.02 39.30 1u81 s PHE 51 CO 0.00 -0.70 0.77 -0.80 -1.46 0.00 0.00 175.22 173.03 1u81 s ASN 52 N 0.32 7.15 0.03 6.13 -0.87 -1.26 -4.26 114.94 122.18 1u81 s ASN 52 Ca 0.52 1.52 0.02 0.00 -1.57 0.00 0.00 52.86 53.35 1u81 s ASN 52 Cb -0.28 -2.46 -0.02 0.00 -0.02 0.00 0.00 41.25 38.47 1u81 s ASN 52 CO 0.32 0.03 -0.06 -0.69 -2.57 0.00 0.00 177.10 174.13 1u81 s VAL 53 N -1.50 0.45 -1.00 1.60 1.01 -1.11 -4.74 120.40 115.11 1u81 s VAL 53 Ca 0.44 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1u81 s VAL 53 Cb -0.18 -0.50 0.26 0.00 0.00 0.00 0.00 36.38 35.97 1u81 s VAL 53 CO 0.22 -0.27 1.05 -0.62 0.00 0.00 0.00 175.10 175.48 1u81 n GLU 54 N 1.85 3.35 -2.30 2.72 1.02 -0.58 -3.36 120.64 123.35 1u81 n GLU 54 Ca -0.20 -4.50 -0.42 0.00 -0.02 0.00 0.00 57.16 52.01 1u81 n GLU 54 Cb 0.56 -2.47 -0.00 0.00 -0.02 0.00 0.00 31.44 29.50 1u81 n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1u81 n THR 55 N 2.11 3.75 -2.38 2.62 -1.04 -1.26 -1.72 114.28 116.36 1u81 n THR 55 Ca 0.24 -3.72 -0.37 0.00 -2.04 0.00 0.00 64.05 58.16 1u81 n THR 55 Cb 0.37 -2.43 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 1u81 n THR 55 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1u81 s VAL 56 N 4.02 3.85 -0.21 12.58 1.01 -0.76 -4.90 120.40 135.99 1u81 s VAL 56 Ca 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1u81 s VAL 56 Cb 0.07 -4.86 0.05 0.00 0.00 0.00 0.00 36.38 31.65 1u81 s VAL 56 CO 0.03 -1.62 -0.05 -1.61 0.00 0.00 0.00 175.10 171.86 1u81 s GLU 57 N 5.31 1.51 -0.28 2.72 2.02 -1.26 0.80 118.70 129.51 1u81 s GLU 57 Ca 0.58 -0.80 -0.23 0.00 0.02 0.00 0.00 54.97 54.54 1u81 s GLU 57 Cb 0.01 -2.38 0.12 0.00 0.10 0.00 0.00 34.13 31.97 1u81 s GLU 57 CO 0.04 -0.55 0.99 -0.47 0.02 0.00 0.00 175.26 175.30 1u81 s TYR 58 N 1.50 -0.53 0.00 1.61 5.04 0.11 -4.96 117.35 120.12 1u81 s TYR 58 Ca -0.03 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1u81 s TYR 58 Cb -0.18 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1u81 s TYR 58 CO -0.07 -0.26 0.00 1.63 -1.34 0.00 0.00 175.55 175.51 1u81 n LYS 59 N 2.67 0.00 0.18 4.97 5.02 -1.26 -1.80 118.16 127.93 1u81 n LYS 59 Ca -0.14 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.20 1u81 n LYS 59 Cb 0.56 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.85 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 5.84 0.00 -3.56 4.39 -1.07 -2.00 -3.38 115.58 115.80 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 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1u81 h ASN 60 CO 0.00 0.38 0.41 -0.63 0.07 0.00 0.00 177.43 177.66 1u81 s ILE 61 N -3.44 4.24 -0.45 6.14 1.01 -0.75 0.18 121.20 128.13 1u81 s ILE 61 Ca 0.01 1.89 0.07 0.00 0.00 0.00 0.00 60.65 62.62 1u81 s ILE 61 Cb 0.10 -4.21 0.32 0.00 0.01 0.00 0.00 42.46 38.69 1u81 s ILE 61 CO 0.69 0.30 1.09 -1.20 0.00 0.00 0.00 174.94 175.82 1u81 n SER 62 N 2.62 -2.04 -4.57 3.58 7.64 -0.87 0.03 113.62 120.01 1u81 n SER 62 Ca 0.02 -3.63 -0.41 0.00 1.01 0.00 0.00 58.87 55.86 1u81 n SER 62 Cb 0.48 1.69 -0.03 0.00 -1.01 0.00 0.00 64.21 65.34 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 0.01 2.26 -0.78 1.43 0.40 0.24 -2.52 117.98 119.02 1u81 s PHE 63 Ca 0.24 0.36 -0.25 0.00 -0.60 0.00 0.00 56.93 56.67 1u81 s PHE 63 Cb 0.30 -4.44 0.04 0.00 0.51 0.00 0.00 43.02 39.43 1u81 s PHE 63 CO -0.05 -2.00 1.25 0.99 0.70 0.00 0.00 175.22 176.12 1u81 s THR 64 N 6.16 3.88 0.02 0.64 2.01 -0.55 -1.83 115.64 125.97 1u81 s THR 64 Ca 0.48 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 1u81 s THR 64 Cb -0.10 -4.90 -0.05 0.00 0.01 0.00 0.00 72.50 67.46 1u81 s THR 64 CO 0.22 -1.80 0.25 -0.69 -0.69 0.00 0.00 174.62 171.91 1u81 s VAL 65 N 5.25 5.33 -0.18 3.82 1.01 -0.70 -2.12 120.40 132.81 1u81 s VAL 65 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1u81 s VAL 65 Cb -0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1u81 s VAL 65 CO 0.09 0.30 0.00 -2.67 0.00 0.00 0.00 175.10 172.82 1u81 n TRP 66 N 0.90 0.00 -4.69 5.22 2.14 -1.25 -1.52 117.44 118.24 1u81 n TRP 66 Ca -0.10 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.17 1u81 n TRP 66 Cb 0.52 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.93 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 -1.73 4.01 0.52 -0.67 1.11 -1.26 -4.08 116.67 114.56 1u81 s ASP 67 Ca 0.00 -1.51 -0.12 0.00 0.18 0.00 0.00 52.55 51.10 1u81 s ASP 67 Cb 0.00 0.06 -0.06 0.00 1.07 0.00 0.00 42.92 43.99 1u81 s ASP 67 CO 0.00 -0.65 0.92 0.68 1.18 0.00 0.00 175.17 177.30 1u81 s VAL 68 N -2.79 4.71 0.00 -1.27 -7.23 -1.26 -4.98 120.40 107.58 1u81 s VAL 68 Ca 0.21 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.18 1u81 s VAL 68 Cb 0.06 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1u81 s VAL 68 CO 0.11 -0.82 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 1u81 n GLY 69 N -1.99 -1.61 5.36 2.32 0.00 -1.26 -5.03 105.19 102.97 1u81 n GLY 69 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 1.04 2.65 -0.02 0.00 -1.26 -2.74 105.19 104.87 1u81 n GLY 70 Ca 0.00 0.51 -0.02 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 0.06 0.00 1.61 7.27 -1.26 -5.10 117.38 119.96 1u81 n GLN 71 Ca 0.00 -0.58 0.00 0.00 0.07 0.00 0.00 57.00 56.49 1u81 n GLN 71 Cb 0.00 -0.06 0.00 0.00 2.41 0.00 0.00 30.24 32.59 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 0.40 0.00 -3.75 1.69 5.75 -1.11 -2.68 116.55 116.85 1u81 n ASP 72 Ca -0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.27 1u81 n ASP 72 Cb 0.75 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.86 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 14.00 5.12 -3.26 0.11 4.81 -1.26 -4.84 118.16 132.84 1u81 n LYS 73 Ca 0.00 -4.59 -0.27 0.00 -0.87 0.00 0.00 58.31 52.58 1u81 n LYS 73 Cb 0.00 -2.49 0.03 0.00 0.02 0.00 0.00 35.03 32.59 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 0.44 -6.75 -3.69 3.15 3.06 -1.09 -5.04 119.36 109.44 1u81 n ILE 74 Ca 0.41 0.38 -0.18 0.00 -2.50 0.00 0.00 62.75 60.87 1u81 n ILE 74 Cb 0.28 -5.02 -0.17 0.00 0.54 0.00 0.00 39.64 35.27 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 -2.58 -0.02 0.00 9.51 6.06 -1.20 -5.03 118.95 125.67 1u81 s ARG 75 Ca 0.32 0.41 0.00 0.00 -2.50 0.00 0.00 55.73 53.96 1u81 s ARG 75 Cb -0.05 -0.37 0.00 0.00 0.06 0.00 0.00 34.95 34.59 1u81 s ARG 75 CO 0.84 -0.28 0.21 -2.30 -2.50 0.00 0.00 175.30 171.26 1u81 n PRO 76 N 5.04 0.30 -0.03 5.12 -0.02 -1.26 -3.77 135.00 140.38 1u81 n PRO 76 Ca -0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 1u81 n PRO 76 Cb 0.50 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 32.92 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 0.42 0.75 -0.63 2.45 -0.00 -1.96 -3.17 115.31 113.17 1u81 h LEU 77 Ca 0.00 -0.39 0.13 0.00 -0.00 0.00 0.00 57.88 57.62 1u81 h LEU 77 Cb 0.09 -0.21 -0.10 0.00 -0.00 0.00 0.00 40.66 40.43 1u81 h LEU 77 CO 0.00 1.13 0.08 -0.50 -0.00 0.00 0.00 178.44 179.15 1u81 h TRP 78 N 0.53 0.10 -0.23 0.17 4.06 -1.97 0.56 115.95 119.17 1u81 h TRP 78 Ca 0.02 0.04 0.05 0.00 2.06 0.00 0.00 58.89 61.07 1u81 h TRP 78 Cb 1.08 0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 29.23 1u81 h TRP 78 CO 0.05 -0.11 -0.13 0.00 -3.56 0.00 0.00 178.44 174.70 1u81 h ARG 79 N 0.19 -0.10 0.00 0.49 -0.00 -1.86 0.35 114.38 113.45 1u81 h ARG 79 Ca 0.34 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.81 1u81 h ARG 79 Cb 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.53 1u81 h ARG 79 CO -0.48 -0.07 -0.05 0.45 0.00 0.00 0.00 179.97 179.82 1u81 h HIS 80 N -0.10 0.00 -0.03 3.04 3.86 -1.16 -0.74 115.15 120.01 1u81 h HIS 80 Ca 0.13 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1u81 h HIS 80 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1u81 h HIS 80 CO -0.30 0.05 -0.25 1.88 0.86 0.00 0.00 177.93 180.17 1u81 h TYR 81 N 0.00 0.31 0.00 2.45 -1.99 0.13 -3.26 116.97 114.61 1u81 h TYR 81 Ca -0.00 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.56 1u81 h TYR 81 Cb 0.12 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 38.80 1u81 h TYR 81 CO 0.00 0.90 -0.12 0.74 -0.00 0.00 0.00 178.16 179.68 1u81 h PHE 82 N -0.37 0.00 -0.19 4.88 0.04 0.33 -2.95 116.94 118.67 1u81 h PHE 82 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1u81 h PHE 82 Cb 0.94 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1u81 h PHE 82 CO 0.15 0.12 0.06 1.96 -0.60 0.00 0.00 178.31 180.00 1u81 h GLN 83 N 0.00 0.27 -0.33 1.51 4.20 -1.20 -3.10 115.11 116.45 1u81 h GLN 83 Ca -0.00 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.44 1u81 h GLN 83 Cb 0.21 -0.05 -0.19 0.00 0.30 0.00 0.00 27.48 27.75 1u81 h GLN 83 CO 0.02 0.24 -0.64 0.27 -0.67 0.00 0.00 178.83 178.05 1u81 n ASN 84 N -4.44 3.13 -4.83 1.46 6.94 -1.12 -5.05 115.26 111.35 1u81 n ASN 84 Ca -0.00 -3.84 -0.36 0.00 -0.02 0.00 0.00 54.58 50.36 1u81 n ASN 84 Cb 0.13 -0.45 -0.06 0.00 -2.36 0.00 0.00 39.78 37.04 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 -3.84 4.75 0.00 5.53 2.01 -1.17 -4.14 115.64 118.79 1u81 s THR 85 Ca 0.44 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1u81 s THR 85 Cb 0.39 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1u81 s THR 85 CO -0.02 0.24 0.00 0.00 -0.69 0.00 0.00 174.62 174.15 1u81 n GLN 86 N 0.80 2.10 -2.90 4.92 1.13 -1.07 -4.92 117.38 117.44 1u81 n GLN 86 Ca -0.04 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.81 1u81 n GLN 86 Cb 0.52 -0.90 0.07 0.00 0.11 0.00 0.00 30.24 30.03 1u81 n GLN 86 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1u81 s GLY 87 N -3.03 1.76 -0.37 1.08 0.00 0.17 -4.63 107.32 102.30 1u81 s GLY 87 Ca 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 44.72 42.74 1u81 s GLY 87 CO 0.00 -1.50 0.93 -2.27 0.00 0.00 0.00 173.10 170.26 1u81 s LEU 88 N -4.77 -0.73 -0.48 0.66 2.96 -1.26 -3.08 118.68 111.98 1u81 s LEU 88 Ca 0.62 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1u81 s LEU 88 Cb -0.06 0.94 0.12 0.00 0.50 0.00 0.00 46.19 47.68 1u81 s LEU 88 CO 0.40 -0.06 0.37 -0.63 -1.32 0.00 0.00 176.35 175.11 1u81 s ILE 89 N 1.60 4.41 -0.40 6.68 1.01 0.20 -1.53 121.20 133.17 1u81 s ILE 89 Ca 0.19 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.95 1u81 s ILE 89 Cb 0.03 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1u81 s ILE 89 CO -0.11 -0.78 0.43 0.12 0.00 0.00 0.00 174.94 174.59 1u81 s PHE 90 N 1.41 3.18 -0.44 3.97 5.36 -0.82 -1.78 117.98 128.85 1u81 s PHE 90 Ca 0.05 -0.29 -0.15 0.00 -0.96 0.00 0.00 56.93 55.58 1u81 s PHE 90 Cb -0.27 -2.86 0.05 0.00 -0.34 0.00 0.00 43.02 39.60 1u81 s PHE 90 CO 0.00 -0.65 0.35 0.08 -1.46 0.00 0.00 175.22 173.54 1u81 s VAL 91 N 2.13 5.19 -0.56 3.12 1.01 -0.65 -1.47 120.40 129.16 1u81 s VAL 91 Ca 0.12 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1u81 s VAL 91 Cb -0.17 -4.02 0.14 0.00 0.00 0.00 0.00 36.38 32.33 1u81 s VAL 91 CO 0.13 -0.47 0.49 -0.69 0.00 0.00 0.00 175.10 174.57 1u81 s VAL 92 N 1.65 4.93 -0.61 2.92 1.01 -1.22 -4.18 120.40 124.90 1u81 s VAL 92 Ca 0.04 -1.75 -0.08 0.00 0.00 0.00 0.00 61.98 60.19 1u81 s VAL 92 Cb -0.22 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.80 1u81 s VAL 92 CO 0.08 -0.86 1.73 -0.67 0.00 0.00 0.00 175.10 175.37 1u81 n ASP 93 N 4.93 -1.25 0.14 3.32 -0.08 -1.26 -4.25 116.55 118.09 1u81 n ASP 93 Ca -0.08 -1.07 0.19 0.00 -1.51 0.00 0.00 54.79 52.32 1u81 n ASP 93 Cb 0.41 -0.72 0.68 0.00 2.34 0.00 0.00 41.12 43.83 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 10.41 0.00 0.01 1.67 0.02 -1.25 -2.61 113.55 121.81 1u81 h SER 94 Ca 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1u81 h SER 94 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1u81 h SER 94 CO 1.30 0.00 -0.01 -1.13 -1.14 0.00 0.00 176.83 175.86 1u81 h ASN 95 N 0.00 -0.01 -0.53 3.07 -1.24 -1.67 -3.38 115.58 111.81 1u81 h ASN 95 Ca 0.17 -0.56 -0.27 0.00 0.71 0.00 0.00 56.30 56.35 1u81 h ASN 95 Cb 1.25 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.27 1u81 h ASN 95 CO -0.00 0.75 1.14 -0.67 -1.29 0.00 0.00 177.43 177.36 1u81 n ASP 96 N -4.70 0.98 -1.10 1.15 -0.08 -0.99 -3.38 116.55 108.44 1u81 n ASP 96 Ca -0.06 -0.79 0.12 0.00 -1.51 0.00 0.00 54.79 52.55 1u81 n ASP 96 Cb 0.27 -1.28 0.18 0.00 2.34 0.00 0.00 41.12 42.64 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 8.08 2.44 -0.01 -0.67 1.85 -1.26 -4.36 116.66 122.74 1u81 n ARG 97 Ca 0.52 -2.19 -0.19 0.00 -1.00 0.00 0.00 57.85 54.99 1u81 n ARG 97 Cb 0.34 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.11 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 1.45 0.73 -0.54 2.89 4.71 -1.26 -4.26 120.64 124.35 1u81 n GLU 98 Ca 0.18 0.26 0.06 0.00 -0.01 0.00 0.00 57.16 57.65 1u81 n GLU 98 Cb 0.60 -1.71 0.26 0.00 -1.01 0.00 0.00 31.44 29.58 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 -3.39 2.91 0.09 3.49 1.74 -1.26 -4.57 116.66 115.68 1u81 n ARG 99 Ca -0.30 -2.91 0.15 0.00 -0.77 0.00 0.00 57.85 54.02 1u81 n ARG 99 Cb 1.05 -1.88 0.35 0.00 -1.02 0.00 0.00 32.46 30.95 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 1.84 0.04 -0.02 1.55 3.04 -1.76 0.92 116.25 121.86 1u81 h VAL 100 Ca 0.04 0.00 -0.25 0.00 -1.01 0.00 0.00 66.70 65.49 1u81 h VAL 100 Cb 1.55 0.15 0.01 0.00 -2.01 0.00 0.00 31.29 30.99 1u81 h VAL 100 CO 0.29 0.00 -0.98 -0.55 -1.01 0.00 0.00 177.57 175.32 1u81 h ASN 101 N 0.00 0.77 -0.96 3.17 -1.07 -1.92 -3.26 115.58 112.30 1u81 h ASN 101 Ca 0.21 -0.60 0.30 0.00 0.07 0.00 0.00 56.30 56.28 1u81 h ASN 101 Cb 2.11 -0.23 -0.16 0.00 -2.07 0.00 0.00 38.32 37.97 1u81 h ASN 101 CO -0.00 1.40 0.40 -0.08 0.07 0.00 0.00 177.43 179.22 1u81 h GLU 102 N 0.35 0.20 0.18 4.14 4.81 0.52 0.76 114.58 125.55 1u81 h GLU 102 Ca -0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1u81 h GLU 102 Cb 1.62 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1u81 h GLU 102 CO 0.18 0.13 -0.09 0.00 -0.73 0.00 0.00 179.01 178.51 1u81 h ALA 103 N 1.87 -0.25 -1.58 2.92 0.00 -1.64 -3.08 119.26 117.50 1u81 h ALA 103 Ca 0.68 -0.21 0.48 0.00 0.00 0.00 0.00 54.91 55.86 1u81 h ALA 103 Cb 1.54 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 1u81 h ALA 103 CO -0.68 -0.40 1.10 -2.13 0.00 0.00 0.00 179.25 177.14 1u81 n ARG 104 N -5.00 -0.01 -0.09 0.00 0.63 0.22 0.10 116.66 112.52 1u81 n ARG 104 Ca -0.09 1.02 -0.11 0.00 -0.92 0.00 0.00 57.85 57.75 1u81 n ARG 104 Cb 0.26 -2.22 -0.04 0.00 0.45 0.00 0.00 32.46 30.90 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 0.46 0.00 -0.14 4.39 -1.34 -3.02 114.58 114.93 1u81 h GLU 105 Ca 0.82 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 60.32 1u81 h GLU 105 Cb 3.08 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 31.68 1u81 h GLU 105 CO -0.16 0.65 -0.36 0.93 -1.16 0.00 0.00 179.01 178.92 1u81 h GLU 106 N 0.23 0.00 -0.52 2.33 4.39 0.58 -3.37 114.58 118.22 1u81 h GLU 106 Ca 0.07 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.95 1u81 h GLU 106 Cb 0.46 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 1u81 h GLU 106 CO 0.02 0.46 0.14 -0.11 -1.16 0.00 0.00 179.01 178.35 1u81 n LEU 107 N -4.63 0.05 -0.22 1.33 7.94 0.16 0.14 117.00 121.76 1u81 n LEU 107 Ca -0.10 0.88 0.22 0.00 -1.11 0.00 0.00 56.01 55.89 1u81 n LEU 107 Cb 0.32 -0.37 0.40 0.00 0.53 0.00 0.00 43.42 44.29 1u81 n LEU 107 CO 0.15 -0.93 0.71 0.23 -1.11 0.00 0.00 177.39 176.44 1u81 n MET 108 N -4.41 -0.04 0.09 1.96 2.81 -1.14 0.69 117.12 117.08 1u81 n MET 108 Ca 0.16 0.90 -0.23 0.00 -1.81 0.00 0.00 57.70 56.72 1u81 n MET 108 Cb 0.53 -1.64 -0.15 0.00 -0.71 0.00 0.00 33.22 31.25 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 0.41 0.00 0.03 -0.00 -0.59 -3.26 114.38 110.97 1u81 h ARG 109 Ca 0.56 -0.69 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1u81 h ARG 109 Cb 1.53 0.26 0.00 0.00 0.00 0.00 0.00 29.97 31.76 1u81 h ARG 109 CO -0.49 1.33 0.00 -1.33 0.00 0.00 0.00 179.97 179.49 1u81 n MET 110 N -3.81 0.00 0.00 0.04 2.81 0.22 -2.35 117.12 114.03 1u81 n MET 110 Ca -0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1u81 n MET 110 Cb 1.01 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 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 -0.56 0.28 0.12 4.03 4.77 -1.16 -4.71 117.00 119.76 1u81 n LEU 111 Ca 0.00 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 56.03 1u81 n LEU 111 Cb 0.00 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 1u81 n LEU 111 CO 0.00 -0.43 -0.13 0.00 -1.33 0.00 0.00 177.39 175.51 1u81 h ALA 112 N -2.00 -0.03 -0.56 -1.18 0.00 -1.74 -3.47 119.26 110.27 1u81 h ALA 112 Ca 0.00 -0.84 -0.48 0.00 0.00 0.00 0.00 54.91 53.59 1u81 h ALA 112 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u81 h ALA 112 CO 0.00 0.77 0.30 0.39 0.00 0.00 0.00 179.25 180.71 1u81 n GLU 113 N -3.69 0.00 -0.07 0.00 -0.58 -0.99 -4.87 120.64 110.43 1u81 n GLU 113 Ca -0.13 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.46 1u81 n GLU 113 Cb 1.04 -0.84 -0.06 0.00 -0.57 0.00 0.00 31.44 31.01 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 2.54 0.68 -1.30 1.62 5.19 -1.92 -3.25 116.42 119.98 1u81 h ASP 114 Ca -0.26 -0.52 0.44 0.00 -0.62 0.00 0.00 57.03 56.07 1u81 h ASP 114 Cb 0.78 -0.19 -0.12 0.00 0.18 0.00 0.00 39.33 39.97 1u81 h ASP 114 CO 0.51 1.07 0.85 -0.62 -3.12 0.00 0.00 179.24 177.92 1u81 n GLU 115 N -4.28 -0.03 -2.05 3.56 -0.58 -1.26 -0.37 120.64 115.63 1u81 n GLU 115 Ca -0.05 1.13 -0.39 0.00 -0.42 0.00 0.00 57.16 57.42 1u81 n GLU 115 Cb 0.50 -2.25 0.03 0.00 -0.57 0.00 0.00 31.44 29.15 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 -4.46 7.34 0.00 -4.62 4.77 -1.23 -4.83 117.00 113.98 1u81 n LEU 116 Ca 0.37 -4.94 0.00 0.00 -0.03 0.00 0.00 56.01 51.41 1u81 n LEU 116 Cb 1.47 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1u81 n LEU 116 CO 0.19 1.83 0.02 0.54 -1.33 0.00 0.00 177.39 178.64 1u81 n ARG 117 N -0.47 0.00 -0.06 3.23 5.12 0.51 -4.67 116.66 120.31 1u81 n ARG 117 Ca 0.52 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 56.29 1u81 n ARG 117 Cb 0.26 -0.35 -0.06 0.00 -1.16 0.00 0.00 32.46 31.15 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 0.78 0.00 0.55 2.03 -1.88 -3.38 116.42 114.52 1u81 h ASP 118 Ca 0.00 -0.55 -0.42 0.00 -0.73 0.00 0.00 57.03 55.32 1u81 h ASP 118 Cb 0.00 -0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 38.24 1u81 h ASP 118 CO 0.00 1.19 0.89 0.00 -1.03 0.00 0.00 179.24 180.29 1u81 n ALA 119 N -2.54 0.15 -2.03 4.15 0.00 -1.26 -4.74 120.51 114.24 1u81 n ALA 119 Ca -0.06 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1u81 n ALA 119 Cb 0.57 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 4.23 3.55 -0.14 0.00 1.01 -1.26 -4.78 120.40 123.00 1u81 s VAL 120 Ca 0.76 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 1u81 s VAL 120 Cb -0.87 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1u81 s VAL 120 CO 0.37 -0.35 1.46 -0.22 0.00 0.00 0.00 175.10 176.37 1u81 s LEU 121 N 6.09 4.17 -0.65 3.92 2.96 -0.92 -4.16 118.68 130.09 1u81 s LEU 121 Ca 0.77 1.84 -0.03 0.00 -0.22 0.00 0.00 54.13 56.48 1u81 s LEU 121 Cb -0.24 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.08 1u81 s LEU 121 CO 0.32 -0.92 0.47 -0.22 -1.32 0.00 0.00 176.35 174.68 1u81 s LEU 122 N 4.02 5.33 -0.76 -0.68 2.96 -0.58 -0.83 118.68 128.15 1u81 s LEU 122 Ca 0.64 -2.89 -0.26 0.00 -0.22 0.00 0.00 54.13 51.40 1u81 s LEU 122 Cb -0.26 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.58 1u81 s LEU 122 CO 0.23 -0.37 1.40 -0.69 -1.32 0.00 0.00 176.35 175.60 1u81 s VAL 123 N -0.11 3.68 -0.59 1.68 1.01 -0.50 -1.95 120.40 123.62 1u81 s VAL 123 Ca 0.17 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1u81 s VAL 123 Cb -0.19 -4.77 0.02 0.00 0.00 0.00 0.00 36.38 31.44 1u81 s VAL 123 CO -0.04 -1.71 1.31 -0.36 0.00 0.00 0.00 175.10 174.31 1u81 s PHE 124 N 6.25 2.41 -1.30 5.22 0.08 -0.55 -3.31 117.98 126.78 1u81 s PHE 124 Ca 0.42 0.38 -0.18 0.00 0.12 0.00 0.00 56.93 57.68 1u81 s PHE 124 Cb -0.08 -4.47 0.04 0.00 -0.57 0.00 0.00 43.02 37.94 1u81 s PHE 124 CO 0.12 -1.84 1.85 0.00 -0.10 0.00 0.00 175.22 175.26 1u81 n ALA 125 N 9.12 3.74 -2.85 5.36 0.00 -0.74 -3.44 120.51 131.69 1u81 n ALA 125 Ca 0.10 -3.76 -0.35 0.00 0.00 0.00 0.00 53.44 49.42 1u81 n ALA 125 Cb 0.49 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.29 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 4.29 6.19 0.00 0.00 2.47 -1.25 -1.73 114.94 124.90 1u81 s ASN 126 Ca 0.54 0.37 0.00 0.00 0.42 0.00 0.00 52.86 54.19 1u81 s ASN 126 Cb 0.06 -1.94 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 1u81 s ASN 126 CO 0.06 0.36 0.00 0.29 -3.72 0.00 0.00 177.10 174.08 1u81 n LYS 127 N 1.67 0.00 0.05 0.43 5.02 -1.26 -0.92 118.16 123.15 1u81 n LYS 127 Ca -0.17 0.05 -0.04 0.00 -2.02 0.00 0.00 58.31 56.13 1u81 n LYS 127 Cb 0.54 -3.14 -0.02 0.00 -0.02 0.00 0.00 35.03 32.39 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 -0.23 0.00 1.97 -0.00 -1.86 -2.80 115.11 112.19 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 0.78 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.32 1u81 h GLN 128 CO 0.00 -0.12 0.00 -0.40 0.00 0.00 0.00 178.83 178.31 1u81 n ASP 129 N -4.93 0.00 -4.74 -0.69 5.75 -1.26 -4.67 116.55 106.00 1u81 n ASP 129 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.34 1u81 n ASP 129 Cb 0.11 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.88 4.58 0.38 -2.12 1.43 -1.24 -4.97 118.68 115.86 1u81 s LEU 130 Ca 0.00 1.87 0.14 0.00 -1.03 0.00 0.00 54.13 55.12 1u81 s LEU 130 Cb 0.00 -3.59 0.98 0.00 0.03 0.00 0.00 46.19 43.62 1u81 s LEU 130 CO 0.00 0.07 1.83 -0.65 0.23 0.00 0.00 176.35 177.82 1u81 h PRO 131 N 4.75 0.50 0.07 1.29 0.11 -1.93 -2.33 132.00 134.46 1u81 h PRO 131 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u81 h PRO 131 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u81 h PRO 131 CO 0.70 0.33 -0.03 -0.97 -0.21 0.00 0.00 178.00 177.81 1u81 h ASN 132 N 0.51 -0.08 -1.81 -2.05 -1.24 -1.93 -3.47 115.58 105.51 1u81 h ASN 132 Ca 0.51 -0.52 -0.51 0.00 0.71 0.00 0.00 56.30 56.49 1u81 h ASN 132 Cb 1.12 0.02 0.20 0.00 0.73 0.00 0.00 38.32 40.39 1u81 h ASN 132 CO -0.24 0.53 -1.46 0.00 -1.29 0.00 0.00 177.43 174.97 1u81 n ALA 133 N -2.50 -4.41 -1.38 1.57 0.00 -0.88 -4.84 120.51 108.08 1u81 n ALA 133 Ca -0.08 -0.42 -0.36 0.00 0.00 0.00 0.00 53.44 52.58 1u81 n ALA 133 Cb 0.30 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 1.94 0.54 -0.99 0.00 2.81 -1.26 -4.91 117.12 115.25 1u81 n MET 134 Ca 0.01 0.24 -0.30 0.00 -1.81 0.00 0.00 57.70 55.84 1u81 n MET 134 Cb 0.48 -2.21 0.16 0.00 -0.71 0.00 0.00 33.22 30.93 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 -1.60 3.10 0.34 7.83 2.20 -1.26 -4.72 114.94 120.83 1u81 s ASN 135 Ca 0.73 1.70 0.11 0.00 -0.94 0.00 0.00 52.86 54.46 1u81 s ASN 135 Cb -0.35 -2.33 1.04 0.00 -2.00 0.00 0.00 41.25 37.61 1u81 s ASN 135 CO 0.50 -2.91 1.58 0.00 -2.94 0.00 0.00 177.10 173.33 1u81 h ALA 136 N -1.73 1.66 0.32 3.54 0.00 -1.93 -2.50 119.26 118.61 1u81 h ALA 136 Ca -0.49 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1u81 h ALA 136 Cb 1.28 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1u81 h ALA 136 CO 0.51 -0.76 -0.15 0.00 0.00 0.00 0.00 179.25 178.85 1u81 h ALA 137 N 1.99 -0.49 0.00 0.00 0.00 -2.03 -3.15 119.26 115.58 1u81 h ALA 137 Ca 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1u81 h ALA 137 Cb 1.72 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1u81 h ALA 137 CO -0.85 -0.46 0.00 -0.85 0.00 0.00 0.00 179.25 177.09 1u81 n GLU 138 N -4.63 0.14 0.07 0.00 0.28 -1.02 -3.05 120.64 112.43 1u81 n GLU 138 Ca -0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.83 1u81 n GLU 138 Cb 0.17 -1.03 -0.08 0.00 1.43 0.00 0.00 31.44 31.93 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 0.82 -0.06 3.84 1.08 -1.42 -3.15 117.51 118.62 1u81 h ILE 139 Ca 0.00 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1u81 h ILE 139 Cb 0.03 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1u81 h ILE 139 CO 0.00 0.20 0.00 0.41 -0.69 0.00 0.00 178.15 178.07 1u81 n THR 140 N -4.97 0.07 0.00 -0.27 -1.04 -1.17 -4.20 114.28 102.70 1u81 n THR 140 Ca -0.08 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1u81 n THR 140 Cb 0.26 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1u81 n THR 140 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1u81 n ASP 141 N -0.40 0.00 0.00 8.00 2.03 -1.19 -3.79 116.55 121.19 1u81 n ASP 141 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1u81 n ASP 141 Cb 0.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.31 0.00 -0.06 -0.67 4.76 -1.21 -0.07 118.16 120.60 1u81 n LYS 142 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1u81 n LYS 142 Cb 0.00 -1.63 -0.13 0.00 -1.84 0.00 0.00 35.03 31.43 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 -0.68 2.42 0.00 -0.35 4.77 -1.26 -5.00 117.00 116.90 1u81 n LEU 143 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1u81 n LEU 143 Cb 0.21 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1u81 n LEU 143 CO 0.00 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1u81 n GLY 144 N 1.82 0.75 0.09 -0.72 0.00 0.90 -4.91 105.19 103.11 1u81 n GLY 144 Ca -0.36 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.65 0.09 0.99 4.77 -1.26 -0.30 117.00 121.93 1u81 n LEU 145 Ca 0.00 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1u81 n LEU 145 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1u81 n LEU 145 CO 0.00 -0.16 0.27 -0.74 -1.33 0.00 0.00 177.39 175.42 1u81 h HIS 146 N 0.00 0.04 0.00 -1.77 2.76 -1.90 -3.37 115.15 110.91 1u81 h HIS 146 Ca 0.00 -0.02 -0.29 0.00 -2.20 0.00 0.00 60.37 57.85 1u81 h HIS 146 Cb 0.67 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 1u81 h HIS 146 CO 0.00 0.88 -2.12 -1.13 -1.30 0.00 0.00 177.93 174.26 1u81 n SER 147 N -3.54 2.47 -4.52 3.26 3.41 -1.12 -4.95 113.62 108.63 1u81 n SER 147 Ca -0.01 -0.11 -0.47 0.00 -0.26 0.00 0.00 58.87 58.02 1u81 n SER 147 Cb 0.82 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 -3.07 2.70 0.00 1.04 4.77 0.58 -4.94 117.00 118.08 1u81 n LEU 148 Ca -0.35 0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1u81 n LEU 148 Cb 0.87 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.51 1u81 n LEU 148 CO 0.20 -0.68 -0.16 0.54 -1.33 0.00 0.00 177.39 175.95 1u81 n ARG 149 N 8.37 0.91 0.00 3.23 5.12 -1.26 -4.85 116.66 128.18 1u81 n ARG 149 Ca 0.35 -2.81 0.00 0.00 -1.93 0.00 0.00 57.85 53.46 1u81 n ARG 149 Cb 0.33 1.02 0.00 0.00 -1.16 0.00 0.00 32.46 32.65 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 -0.89 0.00 -1.86 -1.55 8.25 -1.26 -4.91 115.22 113.01 1u81 n HIS 150 Ca -0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.97 1u81 n HIS 150 Cb 0.49 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.65 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 2.92 -0.11 -0.41 3.52 -1.26 -4.94 118.95 118.67 1u81 s ARG 151 Ca 0.00 2.04 -0.30 0.00 -0.13 0.00 0.00 55.73 57.35 1u81 s ARG 151 Cb 0.00 -2.03 -0.02 0.00 -1.56 0.00 0.00 34.95 31.34 1u81 s ARG 151 CO 0.00 -1.30 1.14 1.21 -0.81 0.00 0.00 175.30 175.53 1u81 s ASN 152 N -1.30 7.09 0.40 -2.12 3.84 -1.26 -4.98 114.94 116.60 1u81 s ASN 152 Ca 0.77 1.66 -0.14 0.00 0.21 0.00 0.00 52.86 55.35 1u81 s ASN 152 Cb -0.36 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 37.84 1u81 s ASN 152 CO 0.40 -0.59 0.78 -1.66 -2.79 0.00 0.00 177.10 173.24 1u81 s TRP 153 N 2.53 0.21 -0.27 0.43 1.48 -1.26 -2.17 118.94 119.90 1u81 s TRP 153 Ca 0.52 -0.90 -0.27 0.00 -1.06 0.00 0.00 56.10 54.40 1u81 s TRP 153 Cb -0.21 0.81 0.17 0.00 -1.16 0.00 0.00 33.47 33.07 1u81 s TRP 153 CO 0.17 -1.59 1.26 -0.47 -4.06 0.00 0.00 176.95 172.26 1u81 s TYR 154 N -2.14 -0.19 -0.02 1.66 5.04 -0.01 -4.81 117.35 116.87 1u81 s TYR 154 Ca 0.17 0.43 0.02 0.00 -2.44 0.00 0.00 57.07 55.25 1u81 s TYR 154 Cb -0.05 0.45 0.00 0.00 0.35 0.00 0.00 41.96 42.72 1u81 s TYR 154 CO 0.13 -0.12 -0.08 -1.50 -1.34 0.00 0.00 175.55 172.63 1u81 s ILE 155 N -0.35 0.68 -0.08 3.14 2.07 -1.26 -1.40 121.20 124.00 1u81 s ILE 155 Ca 0.05 -0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 58.88 1u81 s ILE 155 Cb -0.03 -0.61 0.02 0.00 0.13 0.00 0.00 42.46 41.97 1u81 s ILE 155 CO -0.09 0.22 0.26 -1.58 -1.91 0.00 0.00 174.94 171.84 1u81 s GLN 156 N 0.19 0.39 -0.05 3.50 2.00 -1.21 -5.03 119.66 119.46 1u81 s GLN 156 Ca -0.03 0.20 -0.30 0.00 -2.00 0.00 0.00 55.36 53.23 1u81 s GLN 156 Cb -0.08 0.18 -0.05 0.00 0.80 0.00 0.00 33.01 33.86 1u81 s GLN 156 CO 0.00 -0.07 1.60 0.00 -0.50 0.00 0.00 175.29 176.33 1u81 s ALA 157 N -0.26 3.62 -0.11 1.58 0.00 -1.26 -1.79 121.76 123.54 1u81 s ALA 157 Ca -0.04 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1u81 s ALA 157 Cb -0.03 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1u81 s ALA 157 CO 0.01 -1.32 -0.11 0.95 0.00 0.00 0.00 175.76 175.29 1u81 s THR 158 N 3.76 3.22 -0.35 0.00 -4.23 -0.70 -3.41 115.64 113.93 1u81 s THR 158 Ca 0.71 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1u81 s THR 158 Cb -0.33 -2.34 0.11 0.00 1.34 0.00 0.00 72.50 71.28 1u81 s THR 158 CO 0.28 0.54 0.11 0.00 -0.54 0.00 0.00 174.62 175.02 1u81 h ALA 160 N 7.67 0.67 -0.31 0.00 0.00 -1.88 0.20 119.26 125.61 1u81 h ALA 160 Ca -0.09 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1u81 h ALA 160 Cb 1.00 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1u81 h ALA 160 CO 0.50 0.66 -0.48 1.79 0.00 0.00 0.00 179.25 181.71 1u81 h THR 161 N 0.84 0.00 0.02 0.00 1.35 -1.94 -3.07 112.91 110.11 1u81 h THR 161 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1u81 h THR 161 Cb 0.79 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1u81 h THR 161 CO 0.07 0.00 -0.01 0.77 -0.25 0.00 0.00 175.52 176.10 1u81 h SER 162 N -0.37 -0.02 0.00 5.36 4.64 -2.01 -3.48 113.55 117.67 1u81 h SER 162 Ca 0.06 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1u81 h SER 162 Cb 0.52 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1u81 h SER 162 CO -0.49 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1u81 n GLY 163 N 0.84 1.32 3.36 -0.77 0.00 0.65 -5.13 105.19 105.46 1u81 n GLY 163 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.27 0.00 1.61 2.03 -0.83 -2.84 116.55 114.25 1u81 n ASP 164 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1u81 n ASP 164 Cb 0.00 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 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 1.71 1.23 0.23 0.27 0.00 -1.22 -0.86 105.19 106.54 1u81 n GLY 165 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.70 0.27 0.99 3.38 -1.81 -2.95 115.31 115.89 1u81 h LEU 166 Ca 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1u81 h LEU 166 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1u81 h LEU 166 CO 0.00 0.71 -0.16 0.22 0.09 0.00 0.00 178.44 179.30 1u81 h TYR 167 N 0.66 -0.41 -0.84 1.13 5.03 -1.84 -1.52 116.97 119.17 1u81 h TYR 167 Ca 0.16 -0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.64 1u81 h TYR 167 Cb 0.24 0.14 -0.11 0.00 1.55 0.00 0.00 36.73 38.56 1u81 h TYR 167 CO 0.01 -0.24 0.37 0.93 -1.32 0.00 0.00 178.16 177.92 1u81 h GLU 168 N -0.40 0.45 0.76 1.82 3.07 -1.96 -1.25 114.58 117.09 1u81 h GLU 168 Ca -0.04 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1u81 h GLU 168 Cb 0.31 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1u81 h GLU 168 CO 0.04 0.30 -0.36 0.78 -1.40 0.00 0.00 179.01 178.37 1u81 h GLY 169 N 0.47 -1.06 0.67 -3.84 0.00 -1.46 -1.42 103.07 96.43 1u81 h GLY 169 Ca 0.49 0.39 0.05 0.00 0.00 0.00 0.00 47.33 48.26 1u81 h GLY 169 CO -0.45 -0.39 0.20 1.41 0.00 0.00 0.00 176.54 177.31 1u81 h LEU 170 N -1.16 0.25 0.15 3.11 3.38 -0.92 -1.62 115.31 118.51 1u81 h LEU 170 Ca -0.10 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1u81 h LEU 170 Cb 0.80 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1u81 h LEU 170 CO 0.17 0.18 -0.07 -0.78 0.09 0.00 0.00 178.44 178.03 1u81 h ASP 171 N 0.39 -0.18 -0.41 -0.43 3.58 -1.28 -1.15 116.42 116.95 1u81 h ASP 171 Ca 0.21 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.73 1u81 h ASP 171 Cb 0.16 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.19 1u81 h ASP 171 CO -0.18 -0.11 0.01 -0.25 -2.88 0.00 0.00 179.24 175.83 1u81 h TRP 172 N -0.22 -0.01 0.55 0.28 7.01 -0.99 0.22 115.95 122.79 1u81 h TRP 172 Ca -0.02 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1u81 h TRP 172 Cb 0.17 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1u81 h TRP 172 CO -0.06 -0.07 -0.43 1.25 -2.79 0.00 0.00 178.44 176.34 1u81 h LEU 173 N 0.12 -1.13 -0.40 0.65 5.85 -1.13 -0.49 115.31 118.78 1u81 h LEU 173 Ca 0.20 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1u81 h LEU 173 Cb 0.28 0.36 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1u81 h LEU 173 CO -0.33 -0.62 -0.29 -1.28 -0.34 0.00 0.00 178.44 175.59 1u81 h SER 174 N -0.95 -0.95 -0.16 1.25 0.87 -0.74 -0.82 113.55 112.04 1u81 h SER 174 Ca -0.06 0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1u81 h SER 174 Cb 0.81 0.46 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1u81 h SER 174 CO 0.00 -0.30 -0.05 0.78 -0.53 0.00 0.00 176.83 176.74 1u81 h ASN 175 N -0.22 -0.18 0.14 6.23 2.35 -0.80 -2.30 115.58 120.80 1u81 h ASN 175 Ca 0.18 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1u81 h ASN 175 Cb 0.51 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1u81 h ASN 175 CO -0.52 -0.07 -0.12 1.56 -1.65 0.00 0.00 177.43 176.63 1u81 h GLN 176 N -0.02 -0.27 -0.02 0.81 1.08 -0.36 0.16 115.11 116.48 1u81 h GLN 176 Ca 0.08 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1u81 h GLN 176 Cb 0.14 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 1u81 h GLN 176 CO -0.17 -0.18 -0.24 -0.07 -0.95 0.00 0.00 178.83 177.21 1u81 h LEU 177 N -0.28 -0.73 -0.71 1.46 3.38 -1.04 0.71 115.31 118.10 1u81 h LEU 177 Ca -0.00 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1u81 h LEU 177 Cb 0.26 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1u81 h LEU 177 CO -0.02 -0.31 -0.21 -0.09 0.09 0.00 0.00 178.44 177.91 1u81 h ARG 178 N -0.37 0.77 0.12 1.13 2.43 -1.30 -3.24 114.38 113.92 1u81 h ARG 178 Ca 0.07 -0.30 -0.25 0.00 -0.81 0.00 0.00 59.98 58.69 1u81 h ARG 178 Cb 0.46 -0.04 0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1u81 h ARG 178 CO -0.23 0.91 -1.04 -0.91 -1.51 0.00 0.00 179.97 177.19 1u81 h ASN 179 N 0.68 0.71 -0.98 -3.80 2.35 -0.24 -3.33 115.58 110.96 1u81 h ASN 179 Ca 0.10 -0.85 0.14 0.00 -0.55 0.00 0.00 56.30 55.14 1u81 h ASN 179 Cb 0.71 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 38.77 1u81 h ASN 179 CO 0.05 1.49 0.62 1.56 -1.65 0.00 0.00 177.43 179.50 1u81 h GLN 180 N 0.02 0.84 -0.03 0.81 4.20 0.41 -3.50 115.11 117.86 1u81 h GLN 180 Ca -0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1u81 h GLN 180 Cb 1.76 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1u81 h GLN 180 CO 0.20 0.56 0.00 1.63 -0.67 0.00 0.00 178.83 180.54