#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3h s VAL 3 N 0.00 2.14 -0.02 1.69 1.01 -1.26 -3.88 120.40 120.07 1u3h s VAL 3 Ca 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1u3h s VAL 3 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1u3h s VAL 3 CO 0.00 0.43 -0.10 -0.13 0.00 0.00 0.00 175.10 175.31 1u3h s ARG 4 N -1.04 1.02 -0.30 2.72 0.52 0.15 -4.50 118.95 117.51 1u3h s ARG 4 Ca 0.11 -0.34 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 1u3h s ARG 4 Cb -0.10 -0.94 0.07 0.00 0.52 0.00 0.00 34.95 34.49 1u3h s ARG 4 CO 0.01 0.14 -0.01 -0.65 0.02 0.00 0.00 175.30 174.81 1u3h s GLN 5 N 0.12 2.18 0.07 3.54 -0.21 -1.26 0.17 119.66 124.25 1u3h s GLN 5 Ca -0.02 -1.45 -0.18 0.00 0.02 0.00 0.00 55.36 53.74 1u3h s GLN 5 Cb -0.08 -3.13 -0.06 0.00 1.00 0.00 0.00 33.01 30.74 1u3h s GLN 5 CO 0.00 -0.70 1.29 1.03 -2.12 0.00 0.00 175.29 174.80 1u3h h SER 6 N 7.87 -0.96 -1.01 5.90 0.87 -1.87 -3.38 113.55 120.96 1u3h h SER 6 Ca -0.17 0.12 -0.25 0.00 -1.23 0.00 0.00 61.79 60.26 1u3h h SER 6 Cb 1.05 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 1u3h h SER 6 CO 0.52 -0.23 0.81 -2.84 -0.53 0.00 0.00 176.83 174.57 1u3h s PRO 7 N -4.40 2.00 0.55 2.24 0.02 -1.26 -4.76 135.00 129.38 1u3h s PRO 7 Ca -0.08 0.72 0.27 0.00 0.02 0.00 0.00 61.00 61.93 1u3h s PRO 7 Cb 0.04 -4.71 1.45 0.00 0.02 0.00 0.00 34.50 31.30 1u3h s PRO 7 CO 0.32 -3.73 1.98 -0.56 -0.33 0.00 0.00 177.00 174.68 1u3h h GLN 8 N 15.16 0.00 -1.51 5.54 -0.00 -1.93 -3.40 115.11 128.97 1u3h h GLN 8 Ca -0.10 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.64 1u3h h GLN 8 Cb 1.11 0.00 -0.26 0.00 -0.00 0.00 0.00 27.48 28.34 1u3h h GLN 8 CO 1.11 0.00 0.55 0.45 -0.00 0.00 0.00 178.83 180.94 1u3h s SER 9 N -5.92 -0.36 -0.09 0.06 0.15 -1.26 -4.36 113.70 101.91 1u3h s SER 9 Ca -0.05 0.57 -0.08 0.00 0.70 0.00 0.00 55.95 57.09 1u3h s SER 9 Cb 0.19 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 65.06 1u3h s SER 9 CO 0.68 -0.21 0.24 -0.22 1.20 0.00 0.00 173.24 174.93 1u3h s LEU 10 N -0.39 1.04 -0.06 3.45 2.96 -0.67 -4.96 118.68 120.05 1u3h s LEU 10 Ca 0.02 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1u3h s LEU 10 Cb -0.03 0.80 0.02 0.00 0.50 0.00 0.00 46.19 47.48 1u3h s LEU 10 CO -0.04 -0.09 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.91 1u3h s THR 11 N 0.23 0.98 -0.00 3.68 2.01 -1.26 -1.78 115.64 119.49 1u3h s THR 11 Ca -0.01 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1u3h s THR 11 Cb -0.02 -0.92 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 1u3h s THR 11 CO -0.00 0.32 0.05 -0.69 -0.69 0.00 0.00 174.62 173.61 1u3h s VAL 12 N 0.80 0.06 -0.03 3.82 1.01 -0.53 -4.98 120.40 120.55 1u3h s VAL 12 Ca -0.12 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1u3h s VAL 12 Cb -0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1u3h s VAL 12 CO 0.02 -0.27 0.90 0.26 0.00 0.00 0.00 175.10 176.01 1u3h s TRP 13 N -0.85 3.62 -0.12 5.22 0.51 -1.26 -1.67 118.94 124.39 1u3h s TRP 13 Ca -0.09 1.55 -0.19 0.00 -2.12 0.00 0.00 56.10 55.25 1u3h s TRP 13 Cb -0.06 -3.04 -0.09 0.00 -0.81 0.00 0.00 33.47 29.48 1u3h s TRP 13 CO 0.00 -0.01 0.59 -1.91 -0.51 0.00 0.00 176.95 175.12 1u3h n GLU 14 N 3.99 0.00 0.00 4.98 2.13 0.12 -2.57 120.64 129.29 1u3h n GLU 14 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1u3h n GLU 14 Cb 0.51 -0.65 0.00 0.00 0.27 0.00 0.00 31.44 31.56 1u3h n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u3h n GLY 15 N 1.25 2.44 0.00 8.31 0.00 -0.99 -4.87 105.19 111.33 1u3h n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1u3h n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u3h n GLU 16 N -0.57 0.76 -4.07 1.61 1.02 -1.06 -3.57 120.64 114.75 1u3h n GLU 16 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1u3h n GLU 16 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.27 1u3h n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1u3h s THR 17 N -0.18 2.08 -0.27 2.62 2.01 -1.26 0.14 115.64 120.78 1u3h s THR 17 Ca 0.00 -1.37 -0.22 0.00 0.31 0.00 0.00 61.69 60.41 1u3h s THR 17 Cb 0.00 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1u3h s THR 17 CO 0.00 0.15 0.70 0.00 -0.69 0.00 0.00 174.62 174.78 1u3h s ALA 18 N 1.19 3.59 -0.19 7.40 0.00 -0.56 -4.89 121.76 128.29 1u3h s ALA 18 Ca -0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 1u3h s ALA 18 Cb -0.18 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1u3h s ALA 18 CO -0.08 -0.95 0.02 0.42 0.00 0.00 0.00 175.76 175.17 1u3h s ILE 19 N 2.68 4.22 0.11 0.00 1.01 -1.26 0.24 121.20 128.19 1u3h s ILE 19 Ca 0.29 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.78 1u3h s ILE 19 Cb -0.15 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1u3h s ILE 19 CO 0.10 0.44 -0.08 -0.76 0.00 0.00 0.00 174.94 174.63 1u3h s LEU 20 N 0.80 3.11 0.18 2.97 1.43 -0.43 -4.97 118.68 121.76 1u3h s LEU 20 Ca 0.01 -0.36 0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1u3h s LEU 20 Cb -0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1u3h s LEU 20 CO 0.02 0.17 -0.23 0.20 0.23 0.00 0.00 176.35 176.74 1u3h s ASN 21 N -2.25 3.25 -0.02 2.29 0.01 -1.26 -1.73 114.94 115.23 1u3h s ASN 21 Ca 0.22 -0.84 -0.19 0.00 -0.71 0.00 0.00 52.86 51.34 1u3h s ASN 21 Cb -0.11 -0.23 0.03 0.00 0.41 0.00 0.00 41.25 41.36 1u3h s ASN 21 CO 0.15 0.10 0.40 0.00 -1.51 0.00 0.00 177.10 176.23 1u3h s SER 23 N -1.37 -0.32 0.23 0.00 1.04 0.13 -1.14 113.70 112.26 1u3h s SER 23 Ca -0.12 0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 1u3h s SER 23 Cb -0.04 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1u3h s SER 23 CO 0.05 -0.71 0.44 -0.72 0.98 0.00 0.00 173.24 173.28 1u3h s TYR 24 N -2.64 0.38 -0.33 5.02 -0.85 -1.04 0.31 117.35 118.20 1u3h s TYR 24 Ca -0.04 -0.73 0.16 0.00 -0.52 0.00 0.00 57.07 55.94 1u3h s TYR 24 Cb -0.00 0.13 0.44 0.00 0.38 0.00 0.00 41.96 42.91 1u3h s TYR 24 CO -0.03 -0.94 0.99 -0.85 -1.52 0.00 0.00 175.55 173.20 1u3h n GLU 25 N -0.35 1.14 -3.56 -3.49 0.28 -1.25 -4.67 120.64 108.73 1u3h n GLU 25 Ca -0.03 -3.06 -0.29 0.00 -0.16 0.00 0.00 57.16 53.63 1u3h n GLU 25 Cb 0.62 -1.11 -0.12 0.00 1.43 0.00 0.00 31.44 32.26 1u3h n GLU 25 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1u3h s ASN 26 N -2.81 3.13 0.00 -1.84 3.04 -1.26 -4.93 114.94 110.27 1u3h s ASN 26 Ca 0.27 -2.46 0.00 0.00 0.04 0.00 0.00 52.86 50.71 1u3h s ASN 26 Cb 0.44 -0.66 0.00 0.00 -1.54 0.00 0.00 41.25 39.49 1u3h s ASN 26 CO 0.01 -0.28 0.77 -1.54 -3.04 0.00 0.00 177.10 173.02 1u3h n SER 27 N 3.71 0.00 0.03 -4.21 3.41 -1.26 0.16 113.62 115.47 1u3h n SER 27 Ca 0.12 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1u3h n SER 27 Cb 0.37 -0.28 0.49 0.00 -0.26 0.00 0.00 64.21 64.53 1u3h n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u3h n ALA 28 N -1.27 2.48 -2.01 7.33 0.00 -1.26 -4.81 120.51 120.98 1u3h n ALA 28 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1u3h n ALA 28 Cb 0.20 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1u3h n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u3h s PHE 29 N -3.04 3.12 0.00 0.00 0.08 0.12 -0.90 117.98 117.37 1u3h s PHE 29 Ca 0.12 0.77 0.00 0.00 0.12 0.00 0.00 56.93 57.94 1u3h s PHE 29 Cb 0.17 -3.84 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 1u3h s PHE 29 CO 0.58 -3.02 0.00 -0.40 -0.10 0.00 0.00 175.22 172.28 1u3h n ASP 30 N 3.83 1.26 -4.01 1.36 5.75 -0.44 -4.87 116.55 119.42 1u3h n ASP 30 Ca 0.12 -0.15 -0.24 0.00 -0.01 0.00 0.00 54.79 54.52 1u3h n ASP 30 Cb 0.40 0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 40.87 1u3h n ASP 30 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1u3h s TYR 31 N -0.80 1.32 -0.29 2.11 5.04 -1.18 -0.57 117.35 122.98 1u3h s TYR 31 Ca 0.00 -0.46 -0.01 0.00 -2.44 0.00 0.00 57.07 54.16 1u3h s TYR 31 Cb 0.00 -0.98 0.09 0.00 0.35 0.00 0.00 41.96 41.42 1u3h s TYR 31 CO 0.00 -0.24 0.09 -0.06 -1.34 0.00 0.00 175.55 174.00 1u3h s PHE 32 N 0.60 1.45 -0.14 4.97 0.40 -0.68 -1.46 117.98 123.13 1u3h s PHE 32 Ca -0.12 -1.49 -0.07 0.00 -0.60 0.00 0.00 56.93 54.65 1u3h s PHE 32 Cb -0.15 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1u3h s PHE 32 CO 0.03 -0.82 0.11 -1.25 0.70 0.00 0.00 175.22 173.99 1u3h s PRO 33 N 1.71 3.56 -0.21 0.24 0.04 -1.25 -2.09 135.00 137.01 1u3h s PRO 33 Ca 0.07 -0.20 -0.10 0.00 0.04 0.00 0.00 61.00 60.82 1u3h s PRO 33 Cb -0.17 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1u3h s PRO 33 CO -0.23 0.64 0.13 -1.58 0.04 0.00 0.00 177.00 176.00 1u3h s TRP 34 N -0.64 3.36 0.07 0.56 0.52 -0.06 -1.97 118.94 120.78 1u3h s TRP 34 Ca 0.12 0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.53 1u3h s TRP 34 Cb -0.12 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 1u3h s TRP 34 CO 0.02 0.21 0.06 0.71 0.02 0.00 0.00 176.95 177.98 1u3h s TYR 35 N 0.54 3.16 -0.16 -1.98 1.51 0.71 -0.57 117.35 120.56 1u3h s TYR 35 Ca 0.07 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.22 1u3h s TYR 35 Cb -0.12 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1u3h s TYR 35 CO -0.00 0.51 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.63 1u3h s GLN 36 N -2.26 3.10 -0.18 -0.62 0.74 0.36 0.38 119.66 121.16 1u3h s GLN 36 Ca 0.28 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.90 1u3h s GLN 36 Cb -0.12 -2.57 0.03 0.00 1.10 0.00 0.00 33.01 31.44 1u3h s GLN 36 CO 0.20 -0.07 -0.18 -1.14 -0.55 0.00 0.00 175.29 173.55 1u3h s GLN 37 N 0.99 2.75 0.03 1.67 0.74 0.13 -1.06 119.66 124.91 1u3h s GLN 37 Ca -0.02 -0.83 -0.16 0.00 0.05 0.00 0.00 55.36 54.40 1u3h s GLN 37 Cb -0.15 -2.51 -0.06 0.00 1.10 0.00 0.00 33.01 31.40 1u3h s GLN 37 CO -0.04 -0.26 0.46 -0.06 -0.55 0.00 0.00 175.29 174.84 1u3h s PHE 38 N 1.31 3.74 0.13 1.67 0.08 -1.26 -1.66 117.98 121.99 1u3h s PHE 38 Ca 0.03 1.07 -0.35 0.00 0.12 0.00 0.00 56.93 57.80 1u3h s PHE 38 Cb -0.14 -2.35 -0.16 0.00 -0.57 0.00 0.00 43.02 39.81 1u3h s PHE 38 CO -0.12 0.62 1.39 -0.35 -0.10 0.00 0.00 175.22 176.66 1u3h n PRO 39 N 1.73 1.48 0.00 0.24 -0.04 -1.26 -2.07 135.00 135.08 1u3h n PRO 39 Ca -0.12 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1u3h n PRO 39 Cb 0.52 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1u3h n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u3h n GLY 40 N 2.69 2.63 3.63 0.55 0.00 -1.26 -5.05 105.19 108.38 1u3h n GLY 40 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1u3h n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u3h s GLU 41 N -0.31 2.00 0.90 1.61 2.02 -0.88 -5.15 118.70 118.89 1u3h s GLU 41 Ca 0.00 -2.22 -0.14 0.00 0.02 0.00 0.00 54.97 52.63 1u3h s GLU 41 Cb 0.00 -1.24 0.16 0.00 0.10 0.00 0.00 34.13 33.15 1u3h s GLU 41 CO 0.00 -0.30 1.26 0.20 0.02 0.00 0.00 175.26 176.44 1u3h s GLY 42 N -3.72 1.72 0.77 -1.39 0.00 -1.26 -4.58 107.32 98.86 1u3h s GLY 42 Ca 0.21 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 1u3h s GLY 42 CO 0.11 -0.36 1.08 -4.14 0.00 0.00 0.00 173.10 169.79 1u3h s PRO 43 N -5.76 2.26 -0.08 2.90 0.02 -1.26 -4.49 135.00 128.60 1u3h s PRO 43 Ca 0.70 0.90 -0.09 0.00 0.02 0.00 0.00 61.00 62.53 1u3h s PRO 43 Cb -0.06 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.56 1u3h s PRO 43 CO 0.51 -1.56 0.25 0.00 -0.33 0.00 0.00 177.00 175.87 1u3h s ALA 44 N -3.02 -0.61 0.00 -1.55 0.00 -0.23 -4.90 121.76 111.46 1u3h s ALA 44 Ca 0.60 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1u3h s ALA 44 Cb -0.16 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 1u3h s ALA 44 CO 0.55 -0.14 1.67 -1.17 0.00 0.00 0.00 175.76 176.67 1u3h s LEU 45 N -0.17 4.35 -0.05 0.00 2.96 -1.26 0.13 118.68 124.64 1u3h s LEU 45 Ca -0.03 2.36 -0.05 0.00 -0.22 0.00 0.00 54.13 56.20 1u3h s LEU 45 Cb -0.03 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1u3h s LEU 45 CO 0.01 -0.91 -0.09 -0.11 -1.32 0.00 0.00 176.35 173.93 1u3h n LEU 46 N 6.52 0.53 -3.88 -0.68 7.94 0.27 -4.87 117.00 122.82 1u3h n LEU 46 Ca 0.17 0.14 -0.13 0.00 -1.11 0.00 0.00 56.01 55.07 1u3h n LEU 46 Cb 0.42 -0.57 -0.14 0.00 0.53 0.00 0.00 43.42 43.65 1u3h n LEU 46 CO 0.63 -0.45 -0.37 -0.63 -1.11 0.00 0.00 177.39 175.46 1u3h s ILE 47 N -1.49 0.08 0.05 1.96 1.01 -1.21 -5.01 121.20 116.59 1u3h s ILE 47 Ca -0.07 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1u3h s ILE 47 Cb 0.01 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 1u3h s ILE 47 CO 0.11 0.03 -0.16 -0.94 0.00 0.00 0.00 174.94 173.98 1u3h s SER 48 N 0.09 1.89 0.10 3.58 1.04 -1.26 -0.88 113.70 118.26 1u3h s SER 48 Ca -0.01 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1u3h s SER 48 Cb -0.02 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1u3h s SER 48 CO -0.00 0.04 -0.09 -0.51 0.98 0.00 0.00 173.24 173.65 1u3h s ILE 49 N -0.95 0.88 0.06 -1.02 2.07 -0.89 -4.99 121.20 116.37 1u3h s ILE 49 Ca 0.02 -1.72 0.02 0.00 -1.41 0.00 0.00 60.65 57.57 1u3h s ILE 49 Cb -0.09 -1.44 -0.04 0.00 0.13 0.00 0.00 42.46 41.02 1u3h s ILE 49 CO 0.02 -0.64 0.08 -0.76 -1.91 0.00 0.00 174.94 171.73 1u3h s LEU 50 N -2.61 3.83 0.34 8.50 1.43 -1.26 -1.69 118.68 127.21 1u3h s LEU 50 Ca 0.07 0.02 0.24 0.00 -1.03 0.00 0.00 54.13 53.43 1u3h s LEU 50 Cb -0.01 -2.46 1.24 0.00 0.03 0.00 0.00 46.19 44.99 1u3h s LEU 50 CO -0.01 0.19 1.73 0.77 0.23 0.00 0.00 176.35 179.26 1u3h h SER 51 N 3.43 0.00 0.00 2.29 4.64 -1.17 -2.80 113.55 119.95 1u3h h SER 51 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1u3h h SER 51 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1u3h h SER 51 CO 0.65 0.00 -0.02 0.58 -0.87 0.00 0.00 176.83 177.18 1u3h h VAL 52 N 0.00 0.96 -4.05 0.95 2.07 -1.94 -3.44 116.25 110.79 1u3h h VAL 52 Ca 0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 1u3h h VAL 52 Cb 0.07 0.96 0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1u3h h VAL 52 CO 0.00 0.00 0.10 -1.54 0.02 0.00 0.00 177.57 176.15 1u3h n SER 53 N -5.11 0.53 0.00 0.57 3.41 -1.06 -5.04 113.62 106.92 1u3h n SER 53 Ca -0.07 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1u3h n SER 53 Cb 0.05 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1u3h n SER 53 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u3h n ASP 54 N -3.07 0.53 -3.51 4.04 5.75 -1.26 -4.87 116.55 114.16 1u3h n ASP 54 Ca 0.08 -1.22 -0.15 0.00 -0.01 0.00 0.00 54.79 53.49 1u3h n ASP 54 Cb 0.30 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.34 1u3h n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1u3h s LYS 55 N -0.22 1.02 -0.25 0.11 2.20 -1.26 -2.25 119.74 119.10 1u3h s LYS 55 Ca 0.00 0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 55.59 1u3h s LYS 55 Cb 0.00 0.48 0.10 0.00 -1.51 0.00 0.00 37.83 36.89 1u3h s LYS 55 CO 0.00 -0.35 0.57 0.21 -0.36 0.00 0.00 175.35 175.42 1u3h s LYS 56 N -1.71 0.53 0.16 4.03 2.47 -1.01 -4.97 119.74 119.24 1u3h s LYS 56 Ca -0.07 1.19 0.11 0.00 -1.56 0.00 0.00 55.97 55.65 1u3h s LYS 56 Cb -0.00 0.41 -0.04 0.00 -1.46 0.00 0.00 37.83 36.74 1u3h s LYS 56 CO 0.04 -0.19 -0.24 -1.21 0.16 0.00 0.00 175.35 173.91 1u3h s GLU 57 N 2.25 1.52 -0.35 4.03 2.02 -1.26 -0.88 118.70 126.02 1u3h s GLU 57 Ca -0.07 -1.43 -0.05 0.00 0.02 0.00 0.00 54.97 53.45 1u3h s GLU 57 Cb -0.10 -1.90 0.19 0.00 0.10 0.00 0.00 34.13 32.43 1u3h s GLU 57 CO -0.17 0.43 0.98 0.34 0.02 0.00 0.00 175.26 176.86 1u3h s ASP 58 N -2.41 -0.56 0.11 -0.19 2.15 -0.10 -5.00 116.67 110.67 1u3h s ASP 58 Ca 0.18 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.77 1u3h s ASP 58 Cb -0.09 0.72 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 1u3h s ASP 58 CO 0.09 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.65 1u3h n GLY 59 N 3.50 0.57 0.23 2.66 0.00 -1.26 -3.35 105.19 107.54 1u3h n GLY 59 Ca 0.08 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.11 1u3h n GLY 59 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1u3h h ARG 61 N 0.00 0.00 -6.22 1.61 3.08 -1.93 -3.45 114.38 107.48 1u3h h ARG 61 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1u3h h ARG 61 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1u3h h ARG 61 CO 0.00 0.06 0.63 -0.06 -1.07 0.00 0.00 179.97 179.53 1u3h s PHE 62 N -3.39 3.46 -0.04 3.04 0.08 -1.21 -2.33 117.98 117.59 1u3h s PHE 62 Ca 0.04 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.63 1u3h s PHE 62 Cb 0.07 -3.21 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 1u3h s PHE 62 CO 0.63 -0.32 0.05 0.99 -0.10 0.00 0.00 175.22 176.47 1u3h s THR 63 N 2.31 -0.09 -0.10 0.64 2.01 -0.75 -0.92 115.64 118.74 1u3h s THR 63 Ca 0.47 0.37 -0.16 0.00 0.31 0.00 0.00 61.69 62.69 1u3h s THR 63 Cb -0.18 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 1u3h s THR 63 CO 0.15 0.16 0.40 -0.63 -0.69 0.00 0.00 174.62 174.01 1u3h s ILE 64 N 1.90 5.18 -0.43 1.82 1.01 -0.06 -0.54 121.20 130.08 1u3h s ILE 64 Ca 0.02 0.80 -0.06 0.00 0.00 0.00 0.00 60.65 61.41 1u3h s ILE 64 Cb -0.12 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.73 1u3h s ILE 64 CO -0.03 0.42 0.25 -0.36 0.00 0.00 0.00 174.94 175.22 1u3h s PHE 65 N 0.07 3.50 -0.26 3.97 0.40 0.20 -2.42 117.98 123.43 1u3h s PHE 65 Ca 0.23 -2.13 -0.14 0.00 -0.60 0.00 0.00 56.93 54.29 1u3h s PHE 65 Cb -0.15 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 1u3h s PHE 65 CO 0.09 -0.96 0.33 0.12 0.70 0.00 0.00 175.22 175.51 1u3h s PHE 66 N 1.25 3.26 -0.78 0.36 5.36 -0.95 -1.43 117.98 125.05 1u3h s PHE 66 Ca 0.06 0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 56.38 1u3h s PHE 66 Cb -0.24 -2.52 0.20 0.00 -0.34 0.00 0.00 43.02 40.12 1u3h s PHE 66 CO -0.02 -0.17 0.64 1.21 -1.46 0.00 0.00 175.22 175.42 1u3h s ASN 67 N 1.54 5.78 0.02 6.13 3.04 -1.09 -4.51 114.94 125.85 1u3h s ASN 67 Ca 0.14 -3.23 -0.03 0.00 0.04 0.00 0.00 52.86 49.78 1u3h s ASN 67 Cb -0.16 -1.93 -0.01 0.00 -1.54 0.00 0.00 41.25 37.62 1u3h s ASN 67 CO 0.09 -0.31 0.52 1.17 -3.04 0.00 0.00 177.10 175.53 1u3h n LYS 68 N 3.02 -0.04 -1.74 0.43 3.00 -1.26 -3.05 118.16 118.51 1u3h n LYS 68 Ca 0.15 0.52 -0.31 0.00 -0.00 0.00 0.00 58.31 58.67 1u3h n LYS 68 Cb 0.38 -0.77 0.04 0.00 0.00 0.00 0.00 35.03 34.68 1u3h n LYS 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1u3h s ARG 69 N -3.47 3.09 0.00 1.64 1.70 -1.26 -2.97 118.95 117.68 1u3h s ARG 69 Ca -0.01 0.75 0.00 0.00 -0.47 0.00 0.00 55.73 56.00 1u3h s ARG 69 Cb 0.01 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.37 1u3h s ARG 69 CO 0.06 -0.94 0.00 0.39 -1.08 0.00 0.00 175.30 173.74 1u3h n GLU 70 N -2.99 0.00 -4.27 3.89 1.02 -1.26 -4.03 120.64 112.99 1u3h n GLU 70 Ca 0.07 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.88 1u3h n GLU 70 Cb 0.55 -2.58 -0.07 0.00 -0.02 0.00 0.00 31.44 29.31 1u3h n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u3h n LYS 71 N -2.00 -1.58 -3.24 3.49 5.02 -1.16 -4.89 118.16 113.81 1u3h n LYS 71 Ca 0.00 0.19 -0.18 0.00 -2.02 0.00 0.00 58.31 56.29 1u3h n LYS 71 Cb 0.00 -4.09 -0.00 0.00 -0.02 0.00 0.00 35.03 30.91 1u3h n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1u3h s LYS 72 N -7.16 2.78 -0.25 1.97 1.02 -1.17 -2.49 119.74 114.44 1u3h s LYS 72 Ca 0.20 -1.29 -0.27 0.00 0.02 0.00 0.00 55.97 54.63 1u3h s LYS 72 Cb -0.12 -2.66 0.15 0.00 -0.52 0.00 0.00 37.83 34.69 1u3h s LYS 72 CO 0.98 -0.20 1.18 -1.17 -0.92 0.00 0.00 175.35 175.21 1u3h s LEU 73 N -4.26 -0.26 -0.11 3.17 2.96 -0.29 -2.66 118.68 117.23 1u3h s LEU 73 Ca 0.52 0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 54.67 1u3h s LEU 73 Cb -0.08 1.56 0.04 0.00 0.50 0.00 0.00 46.19 48.21 1u3h s LEU 73 CO 0.31 -0.15 0.44 -0.94 -1.32 0.00 0.00 176.35 174.69 1u3h s SER 74 N -0.40 -0.41 -0.33 3.68 1.04 -0.52 -0.06 113.70 116.70 1u3h s SER 74 Ca 0.04 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.04 1u3h s SER 74 Cb -0.03 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.81 1u3h s SER 74 CO -0.07 -0.30 0.10 -0.22 0.98 0.00 0.00 173.24 173.73 1u3h s LEU 75 N -0.41 4.20 -0.24 2.42 2.96 -0.70 0.58 118.68 127.49 1u3h s LEU 75 Ca -0.05 -1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 52.70 1u3h s LEU 75 Cb -0.03 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1u3h s LEU 75 CO 0.03 -0.29 0.27 -1.00 -1.32 0.00 0.00 176.35 174.04 1u3h s HIS 76 N 1.43 3.31 -0.71 5.38 3.76 0.30 -1.32 115.29 127.45 1u3h s HIS 76 Ca -0.00 0.37 -0.06 0.00 -0.15 0.00 0.00 55.06 55.22 1u3h s HIS 76 Cb -0.19 -2.41 0.18 0.00 1.11 0.00 0.00 32.58 31.27 1u3h s HIS 76 CO 0.03 -0.03 0.56 0.42 -0.85 0.00 0.00 174.74 174.86 1u3h s ILE 77 N 1.39 4.27 0.53 0.60 1.01 0.14 -1.81 121.20 127.32 1u3h s ILE 77 Ca 0.12 -2.94 -0.20 0.00 0.00 0.00 0.00 60.65 57.63 1u3h s ILE 77 Cb -0.15 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.55 1u3h s ILE 77 CO 0.07 -0.94 1.18 0.00 0.00 0.00 0.00 174.94 175.25 1u3h s ALA 78 N -0.15 2.75 -0.75 9.38 0.00 -0.98 -1.50 121.76 130.50 1u3h s ALA 78 Ca 0.18 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 1u3h s ALA 78 Cb -0.17 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1u3h s ALA 78 CO -0.05 -0.88 0.66 -3.47 0.00 0.00 0.00 175.76 172.02 1u3h n ASP 79 N -1.12 -6.66 -3.79 0.00 -0.08 -0.20 -4.74 116.55 99.96 1u3h n ASP 79 Ca 0.11 -0.37 -0.20 0.00 -1.51 0.00 0.00 54.79 52.81 1u3h n ASP 79 Cb 0.49 -3.88 0.11 0.00 2.34 0.00 0.00 41.12 40.19 1u3h n ASP 79 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1u3h n SER 80 N -1.96 -2.74 0.00 1.67 7.64 0.38 -4.59 113.62 114.02 1u3h n SER 80 Ca -0.11 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1u3h n SER 80 Cb 0.58 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1u3h n SER 80 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1u3h n GLN 81 N -0.65 0.00 -1.69 1.43 7.27 -1.26 -2.34 117.38 120.14 1u3h n GLN 81 Ca 0.03 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.68 1u3h n GLN 81 Cb 0.40 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.02 1u3h n GLN 81 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1u3h s PRO 82 N 0.00 3.79 0.00 3.69 0.04 -1.26 -1.24 135.00 140.01 1u3h s PRO 82 Ca 0.00 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1u3h s PRO 82 Cb 0.00 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1u3h s PRO 82 CO 0.00 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1u3h n GLY 83 N 4.94 0.94 1.16 0.56 0.00 -1.26 -4.89 105.19 106.64 1u3h n GLY 83 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1u3h n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u3h n ASP 84 N 0.00 3.42 -1.26 1.61 8.00 -0.38 -4.78 116.55 123.16 1u3h n ASP 84 Ca 0.00 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1u3h n ASP 84 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1u3h n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1u3h n SER 85 N 1.41 3.90 0.00 -2.24 7.64 -1.26 -4.89 113.62 118.18 1u3h n SER 85 Ca 0.21 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1u3h n SER 85 Cb 0.57 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1u3h n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u3h n ALA 86 N 1.02 0.00 -2.77 -0.43 0.00 -1.24 -4.54 120.51 112.55 1u3h n ALA 86 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1u3h n ALA 86 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1u3h n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u3h s THR 87 N 3.45 5.26 -0.06 0.00 2.01 -0.66 -0.61 115.64 125.03 1u3h s THR 87 Ca 0.00 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1u3h s THR 87 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1u3h s THR 87 CO 0.00 0.47 0.03 -0.31 -0.69 0.00 0.00 174.62 174.12 1u3h s TYR 88 N 0.15 3.21 -0.10 4.92 2.02 0.84 -0.69 117.35 127.69 1u3h s TYR 88 Ca 0.08 0.20 0.04 0.00 -0.37 0.00 0.00 57.07 57.02 1u3h s TYR 88 Cb -0.11 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1u3h s TYR 88 CO -0.01 0.51 -0.22 -0.06 -1.57 0.00 0.00 175.55 174.20 1u3h s PHE 89 N -0.99 2.35 -0.30 2.71 0.08 0.16 -1.95 117.98 120.05 1u3h s PHE 89 Ca 0.16 -0.97 -0.12 0.00 0.12 0.00 0.00 56.93 56.13 1u3h s PHE 89 Cb -0.12 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1u3h s PHE 89 CO 0.06 -0.40 0.21 0.00 -0.10 0.00 0.00 175.22 174.99 1u3h s ALA 91 N 1.77 4.30 -0.19 0.00 0.00 -0.83 -2.27 121.76 124.54 1u3h s ALA 91 Ca 0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 1u3h s ALA 91 Cb -0.16 -0.29 0.13 0.00 0.00 0.00 0.00 23.12 22.81 1u3h s ALA 91 CO 0.11 -0.19 1.05 0.00 0.00 0.00 0.00 175.76 176.72 1u3h s ALA 92 N -2.85 -1.96 0.06 0.00 0.00 -0.97 -3.76 121.76 112.29 1u3h s ALA 92 Ca 0.15 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.78 1u3h s ALA 92 Cb -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1u3h s ALA 92 CO 0.09 -0.29 -0.06 -1.54 0.00 0.00 0.00 175.76 173.97 1u3h s SER 93 N -0.91 0.84 0.67 0.00 1.04 -0.53 -0.96 113.70 113.84 1u3h s SER 93 Ca 0.00 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.57 1u3h s SER 93 Cb -0.01 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.26 1u3h s SER 93 CO -0.01 -0.40 0.96 0.00 0.98 0.00 0.00 173.24 174.78 1u3h s ALA 98 N -2.79 3.34 -0.27 5.32 0.00 -1.26 -1.33 121.76 124.77 1u3h s ALA 98 Ca 0.02 -1.03 0.25 0.00 0.00 0.00 0.00 51.96 51.20 1u3h s ALA 98 Cb -0.00 -2.47 1.16 0.00 0.00 0.00 0.00 23.12 21.81 1u3h s ALA 98 CO -0.04 -1.18 1.77 -2.95 0.00 0.00 0.00 175.76 173.37 1u3h h ASN 99 N -0.44 0.00 -3.29 0.00 7.08 -1.36 -3.40 115.58 114.17 1u3h h ASN 99 Ca -0.44 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 52.50 1u3h h ASN 99 Cb 1.31 0.00 0.11 0.00 -2.08 0.00 0.00 38.32 37.67 1u3h h ASN 99 CO 0.58 0.00 0.27 -1.54 -2.08 0.00 0.00 177.43 174.66 1u3h n SER 100 N -2.40 0.10 -1.91 6.14 3.41 -1.26 -4.96 113.62 112.74 1u3h n SER 100 Ca 0.01 -1.34 -0.03 0.00 -0.26 0.00 0.00 58.87 57.24 1u3h n SER 100 Cb 0.18 -0.67 0.30 0.00 -0.26 0.00 0.00 64.21 63.77 1u3h n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u3h n GLY 101 N -0.74 3.37 3.66 5.00 0.00 -1.26 -5.01 105.19 110.20 1u3h n GLY 101 Ca 0.11 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1u3h n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u3h s THR 102 N -2.77 2.18 0.80 2.61 -4.23 -1.26 -4.98 115.64 107.98 1u3h s THR 102 Ca 0.51 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.94 1u3h s THR 102 Cb 0.41 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 72.17 1u3h s THR 102 CO 0.13 -0.08 1.10 0.00 -0.54 0.00 0.00 174.62 175.23 1u3h n TYR 103 N -4.27 0.97 -2.41 3.99 0.18 -1.26 -4.41 117.16 109.95 1u3h n TYR 103 Ca 0.10 0.39 -0.36 0.00 1.88 0.00 0.00 57.90 59.92 1u3h n TYR 103 Cb 0.53 -2.08 -0.02 0.00 -0.38 0.00 0.00 39.34 37.38 1u3h n TYR 103 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1u3h s GLN 104 N -3.90 3.77 -0.18 -3.48 -0.21 -1.26 -4.69 119.66 109.71 1u3h s GLN 104 Ca 0.72 1.55 -0.00 0.00 0.02 0.00 0.00 55.36 57.66 1u3h s GLN 104 Cb -0.30 -2.25 0.04 0.00 1.00 0.00 0.00 33.01 31.50 1u3h s GLN 104 CO 0.52 -0.49 -0.06 1.03 -2.12 0.00 0.00 175.29 174.17 1u3h s ARG 105 N -2.94 1.56 0.63 2.91 0.52 -0.14 -4.92 118.95 116.56 1u3h s ARG 105 Ca 0.65 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1u3h s ARG 105 Cb -0.22 -2.18 0.14 0.00 0.52 0.00 0.00 34.95 33.21 1u3h s ARG 105 CO 0.27 -0.46 0.85 1.19 0.02 0.00 0.00 175.30 177.17 1u3h n PHE 106 N 4.81 -3.81 -4.01 -0.53 3.01 -1.26 -2.29 117.46 113.37 1u3h n PHE 106 Ca -0.12 -0.87 -0.00 0.00 1.01 0.00 0.00 57.45 57.46 1u3h n PHE 106 Cb 0.47 -0.65 -0.00 0.00 -0.01 0.00 0.00 39.48 39.29 1u3h n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u3h n GLY 107 N -0.71 4.16 0.15 1.37 0.00 -0.96 -4.39 105.19 104.81 1u3h n GLY 107 Ca 0.11 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1u3h n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u3h h THR 108 N 1.00 0.68 -0.14 2.61 2.02 -1.90 -3.46 112.91 113.71 1u3h h THR 108 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1u3h h THR 108 Cb 0.01 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1u3h h THR 108 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51 1u3h n GLY 109 N -1.26 0.24 3.80 2.16 0.00 -1.26 -5.05 105.19 103.83 1u3h n GLY 109 Ca -0.01 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 1u3h n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u3h s THR 110 N -0.11 5.17 -0.23 2.61 2.01 -0.82 -4.88 115.64 119.38 1u3h s THR 110 Ca 0.00 0.72 -0.12 0.00 0.31 0.00 0.00 61.69 62.60 1u3h s THR 110 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1u3h s THR 110 CO 0.00 0.51 0.21 -0.54 -0.69 0.00 0.00 174.62 174.11 1u3h s LYS 111 N -0.50 4.09 -0.13 4.92 1.02 -1.26 -0.11 119.74 127.77 1u3h s LYS 111 Ca 0.21 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 1u3h s LYS 111 Cb -0.15 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 1u3h s LYS 111 CO 0.10 0.04 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.32 1u3h s LEU 112 N 1.11 3.03 -0.16 3.17 2.96 0.22 -1.67 118.68 127.33 1u3h s LEU 112 Ca 0.10 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1u3h s LEU 112 Cb -0.14 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1u3h s LEU 112 CO 0.05 0.20 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.50 1u3h s GLN 113 N 0.14 2.94 -0.33 1.98 0.74 -0.73 -3.58 119.66 120.82 1u3h s GLN 113 Ca -0.04 -0.82 -0.09 0.00 0.05 0.00 0.00 55.36 54.47 1u3h s GLN 113 Cb -0.14 -2.48 0.02 0.00 1.10 0.00 0.00 33.01 31.50 1u3h s GLN 113 CO 0.04 -0.14 0.15 0.08 -0.55 0.00 0.00 175.29 174.86 1u3h s VAL 114 N 1.13 4.31 -0.25 1.34 1.01 -1.26 -1.46 120.40 125.23 1u3h s VAL 114 Ca 0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1u3h s VAL 114 Cb -0.14 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1u3h s VAL 114 CO -0.09 -0.07 1.02 -0.69 0.00 0.00 0.00 175.10 175.27 1u3h s VAL 115 N 1.53 4.67 -1.90 2.92 1.01 -0.67 -4.43 120.40 123.53 1u3h s VAL 115 Ca 0.02 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1u3h s VAL 115 Cb -0.18 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1u3h s VAL 115 CO 0.05 -0.22 0.48 -2.65 0.00 0.00 0.00 175.10 172.76