#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 4.85 -0.23 1.69 1.01 -1.26 -4.16 120.40 122.29 1u3h s VAL 3 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1u3h s VAL 3 Cb 0.00 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.34 1u3h s VAL 3 CO 0.00 0.57 -0.01 -0.13 0.00 0.00 0.00 175.10 175.52 1u3h s ARG 4 N -1.09 1.28 -0.18 2.72 0.52 0.48 -4.24 118.95 118.44 1u3h s ARG 4 Ca 0.16 -0.87 -0.23 0.00 -0.52 0.00 0.00 55.73 54.26 1u3h s ARG 4 Cb -0.12 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 1u3h s ARG 4 CO 0.05 -0.65 0.75 -0.65 0.02 0.00 0.00 175.30 174.82 1u3h s GLN 5 N 1.52 4.27 0.00 3.54 -0.21 -1.26 -1.38 119.66 126.14 1u3h s GLN 5 Ca -0.03 0.86 0.00 0.00 0.02 0.00 0.00 55.36 56.21 1u3h s GLN 5 Cb -0.18 -3.57 0.00 0.00 1.00 0.00 0.00 33.01 30.26 1u3h s GLN 5 CO -0.08 -0.28 0.30 0.45 -2.12 0.00 0.00 175.29 173.56 1u3h n SER 6 N 5.12 0.00 -4.54 5.90 2.88 -0.99 -4.57 113.62 117.43 1u3h n SER 6 Ca 0.02 0.30 -0.40 0.00 -1.33 0.00 0.00 58.87 57.46 1u3h n SER 6 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 1u3h n SER 6 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1u3h n PRO 7 N -0.39 1.11 -0.32 -1.46 -0.02 -1.26 -4.77 135.00 127.88 1u3h n PRO 7 Ca 0.00 0.15 0.16 0.00 -2.02 0.00 0.00 63.50 61.79 1u3h n PRO 7 Cb 0.00 -3.01 0.39 0.00 -0.02 0.00 0.00 33.50 30.86 1u3h n PRO 7 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1u3h h GLN 8 N 16.63 0.61 -2.42 -0.52 -0.00 -1.87 -3.42 115.11 124.11 1u3h h GLN 8 Ca -0.26 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.27 1u3h h GLN 8 Cb 1.28 -0.14 -0.21 0.00 -0.00 0.00 0.00 27.48 28.41 1u3h h GLN 8 CO 1.12 0.40 -0.05 0.45 -0.00 0.00 0.00 178.83 180.76 1u3h s SER 9 N -5.44 -0.53 -0.09 0.06 0.15 -1.26 -3.88 113.70 102.71 1u3h s SER 9 Ca -0.10 0.88 -0.04 0.00 0.70 0.00 0.00 55.95 57.39 1u3h s SER 9 Cb 0.25 0.89 0.04 0.00 -1.71 0.00 0.00 66.02 65.49 1u3h s SER 9 CO 0.80 -0.32 0.19 -0.22 1.20 0.00 0.00 173.24 174.89 1u3h s LEU 10 N -0.26 0.44 -0.08 3.45 2.96 0.11 -4.93 118.68 120.37 1u3h s LEU 10 Ca -0.04 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1u3h s LEU 10 Cb -0.03 0.52 0.00 0.00 0.50 0.00 0.00 46.19 47.17 1u3h s LEU 10 CO 0.03 -0.17 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.80 1u3h s THR 11 N 1.43 1.74 0.00 3.68 2.01 -1.26 -0.68 115.64 122.56 1u3h s THR 11 Ca -0.07 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1u3h s THR 11 Cb -0.11 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1u3h s THR 11 CO -0.07 0.49 0.18 -0.69 -0.69 0.00 0.00 174.62 173.84 1u3h s VAL 12 N 0.29 0.08 0.03 3.82 1.01 0.91 -4.92 120.40 121.62 1u3h s VAL 12 Ca -0.13 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1u3h s VAL 12 Cb -0.16 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1u3h s VAL 12 CO 0.06 -0.37 1.25 0.26 0.00 0.00 0.00 175.10 176.30 1u3h s TRP 13 N -1.53 3.27 0.23 5.22 0.51 -1.26 -2.07 118.94 123.30 1u3h s TRP 13 Ca -0.13 1.16 -0.21 0.00 -2.12 0.00 0.00 56.10 54.80 1u3h s TRP 13 Cb -0.06 -3.49 -0.13 0.00 -0.81 0.00 0.00 33.47 28.97 1u3h s TRP 13 CO 0.01 -1.61 0.28 -1.91 -0.51 0.00 0.00 176.95 173.22 1u3h n GLU 14 N 4.44 0.00 0.00 4.98 2.13 -0.38 -2.26 120.64 129.55 1u3h n GLU 14 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1u3h n GLU 14 Cb 0.45 -0.81 0.00 0.00 0.27 0.00 0.00 31.44 31.35 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 1.73 3.05 2.81 8.31 0.00 -1.24 -4.85 105.19 115.00 1u3h n GLY 15 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.79 -1.78 -3.71 1.61 1.02 -0.96 -3.62 120.64 112.42 1u3h n GLU 16 Ca 0.00 -1.45 -0.38 0.00 -0.02 0.00 0.00 57.16 55.30 1u3h n GLU 16 Cb 0.00 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.88 3.83 -0.21 2.62 2.01 -1.26 -0.20 115.64 119.56 1u3h s THR 17 Ca 0.56 -1.39 -0.26 0.00 0.31 0.00 0.00 61.69 60.91 1u3h s THR 17 Cb -0.03 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1u3h s THR 17 CO 0.41 -0.38 0.86 0.00 -0.69 0.00 0.00 174.62 174.82 1u3h s ALA 18 N 1.36 3.60 0.18 7.40 0.00 -0.35 -4.86 121.76 129.09 1u3h s ALA 18 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1u3h s ALA 18 Cb -0.21 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1u3h s ALA 18 CO 0.01 -0.83 0.38 0.42 0.00 0.00 0.00 175.76 175.75 1u3h s ILE 19 N 2.60 5.20 -0.25 0.00 1.01 -1.26 -0.47 121.20 128.02 1u3h s ILE 19 Ca 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 1u3h s ILE 19 Cb -0.16 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.73 1u3h s ILE 19 CO 0.09 -0.10 0.25 -0.76 0.00 0.00 0.00 174.94 174.42 1u3h s LEU 20 N -3.08 -0.11 0.54 2.97 1.43 0.20 -4.95 118.68 115.67 1u3h s LEU 20 Ca 0.39 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1u3h s LEU 20 Cb -0.11 0.38 -0.07 0.00 0.03 0.00 0.00 46.19 46.42 1u3h s LEU 20 CO 0.28 -0.36 1.01 0.20 0.23 0.00 0.00 176.35 177.70 1u3h s ASN 21 N 2.32 6.39 -0.02 2.29 0.01 -1.26 -0.22 114.94 124.45 1u3h s ASN 21 Ca 0.08 1.64 -0.16 0.00 -0.71 0.00 0.00 52.86 53.71 1u3h s ASN 21 Cb -0.15 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.02 1u3h s ASN 21 CO -0.23 -0.75 0.34 0.00 -1.51 0.00 0.00 177.10 174.95 1u3h s SER 23 N -1.30 -0.34 0.19 0.00 1.04 -0.48 -0.97 113.70 111.84 1u3h s SER 23 Ca -0.13 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 55.75 1u3h s SER 23 Cb -0.05 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1u3h s SER 23 CO 0.05 -1.01 0.71 -0.72 0.98 0.00 0.00 173.24 173.25 1u3h s TYR 24 N -3.83 -0.34 -0.18 5.02 -0.85 -1.16 -0.38 117.35 115.63 1u3h s TYR 24 Ca 0.06 0.02 0.15 0.00 -0.52 0.00 0.00 57.07 56.78 1u3h s TYR 24 Cb -0.01 0.63 0.44 0.00 0.38 0.00 0.00 41.96 43.40 1u3h s TYR 24 CO -0.07 -0.97 1.19 -0.85 -1.52 0.00 0.00 175.55 173.33 1u3h n GLU 25 N -0.41 1.63 -3.90 -3.49 0.28 -1.26 -4.75 120.64 108.74 1u3h n GLU 25 Ca -0.10 -3.19 -0.30 0.00 -0.16 0.00 0.00 57.16 53.42 1u3h n GLU 25 Cb 0.62 -1.36 -0.14 0.00 1.43 0.00 0.00 31.44 32.00 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 -3.08 4.22 0.39 -1.84 3.04 -1.26 -4.98 114.94 111.43 1u3h s ASN 26 Ca 0.38 -3.03 0.11 0.00 0.04 0.00 0.00 52.86 50.36 1u3h s ASN 26 Cb 0.38 -1.52 0.57 0.00 -1.54 0.00 0.00 41.25 39.14 1u3h s ASN 26 CO -0.07 -0.22 1.20 0.77 -3.04 0.00 0.00 177.10 175.74 1u3h h SER 27 N 6.42 0.00 0.81 -4.21 4.64 -2.00 -0.78 113.55 118.43 1u3h h SER 27 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1u3h h SER 27 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1u3h h SER 27 CO 0.65 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.57 1u3h n ALA 28 N -1.51 2.48 -1.95 5.18 0.00 -1.26 -4.85 120.51 118.60 1u3h n ALA 28 Ca -0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1u3h n ALA 28 Cb 0.49 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.85 3.28 0.00 0.00 0.08 -0.30 -0.91 117.98 117.28 1u3h s PHE 29 Ca 0.19 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.56 1u3h s PHE 29 Cb 0.19 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 1u3h s PHE 29 CO 0.52 -1.65 0.00 -0.40 -0.10 0.00 0.00 175.22 173.59 1u3h n ASP 30 N 2.20 1.00 -4.21 1.36 5.75 -0.20 -4.85 116.55 117.60 1u3h n ASP 30 Ca 0.04 -0.09 -0.32 0.00 -0.01 0.00 0.00 54.79 54.41 1u3h n ASP 30 Cb 0.43 0.37 -0.17 0.00 -1.03 0.00 0.00 41.12 40.73 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 -0.57 2.62 -0.52 2.11 5.04 -1.19 -0.02 117.35 124.83 1u3h s TYR 31 Ca 0.00 -1.16 0.04 0.00 -2.44 0.00 0.00 57.07 53.51 1u3h s TYR 31 Cb 0.00 -1.77 0.16 0.00 0.35 0.00 0.00 41.96 40.71 1u3h s TYR 31 CO 0.00 -0.50 0.37 -0.06 -1.34 0.00 0.00 175.55 174.02 1u3h s PHE 32 N 0.56 2.13 0.27 4.97 0.40 -0.45 -1.57 117.98 124.29 1u3h s PHE 32 Ca -0.13 -2.68 -0.27 0.00 -0.60 0.00 0.00 56.93 53.25 1u3h s PHE 32 Cb -0.17 -1.74 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 1u3h s PHE 32 CO 0.04 -0.72 0.92 -1.25 0.70 0.00 0.00 175.22 174.91 1u3h s PRO 33 N -0.37 4.68 -0.17 0.24 0.04 -1.21 -3.15 135.00 135.05 1u3h s PRO 33 Ca 0.26 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1u3h s PRO 33 Cb -0.06 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 1u3h s PRO 33 CO -0.14 0.40 -0.08 -1.58 0.04 0.00 0.00 177.00 175.65 1u3h s TRP 34 N -1.40 2.91 0.09 0.56 0.52 -0.73 -1.31 118.94 119.58 1u3h s TRP 34 Ca 0.45 -0.69 0.04 0.00 0.02 0.00 0.00 56.10 55.92 1u3h s TRP 34 Cb -0.22 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1u3h s TRP 34 CO 0.27 -0.31 0.05 0.71 0.02 0.00 0.00 176.95 177.69 1u3h s TYR 35 N 0.79 3.10 -0.11 -1.98 1.51 -0.02 0.17 117.35 120.81 1u3h s TYR 35 Ca -0.03 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1u3h s TYR 35 Cb -0.15 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1u3h s TYR 35 CO 0.01 0.50 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.67 1u3h s GLN 36 N -2.39 3.13 -0.08 -0.62 0.74 0.43 -1.32 119.66 119.55 1u3h s GLN 36 Ca 0.28 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.97 1u3h s GLN 36 Cb -0.12 -2.52 0.02 0.00 1.10 0.00 0.00 33.01 31.50 1u3h s GLN 36 CO 0.21 0.30 -0.07 -1.14 -0.55 0.00 0.00 175.29 174.03 1u3h s GLN 37 N 0.12 1.30 -0.22 1.67 0.74 0.05 -0.15 119.66 123.17 1u3h s GLN 37 Ca -0.07 -0.21 -0.10 0.00 0.05 0.00 0.00 55.36 55.03 1u3h s GLN 37 Cb -0.15 -1.32 -0.05 0.00 1.10 0.00 0.00 33.01 32.59 1u3h s GLN 37 CO 0.05 -0.17 0.14 -0.06 -0.55 0.00 0.00 175.29 174.69 1u3h s PHE 38 N 1.38 3.32 0.01 1.67 0.08 -1.26 -1.32 117.98 121.85 1u3h s PHE 38 Ca -0.02 0.20 -0.29 0.00 0.12 0.00 0.00 56.93 56.94 1u3h s PHE 38 Cb -0.14 -2.22 -0.15 0.00 -0.57 0.00 0.00 43.02 39.95 1u3h s PHE 38 CO -0.04 0.11 0.77 -0.35 -0.10 0.00 0.00 175.22 175.61 1u3h n PRO 39 N 4.05 0.00 0.00 0.24 -0.04 -1.26 -0.89 135.00 137.10 1u3h n PRO 39 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1u3h n PRO 39 Cb 0.52 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 1.13 2.95 3.74 0.55 0.00 -1.26 -5.02 105.19 107.27 1u3h n GLY 40 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 2.51 0.97 1.61 2.02 -0.07 -5.13 118.70 120.53 1u3h s GLU 41 Ca 0.00 -1.37 -0.15 0.00 0.02 0.00 0.00 54.97 53.47 1u3h s GLU 41 Cb 0.00 -2.29 0.18 0.00 0.10 0.00 0.00 34.13 32.12 1u3h s GLU 41 CO 0.00 0.25 1.20 0.20 0.02 0.00 0.00 175.26 176.92 1u3h s GLY 42 N -3.81 1.64 0.65 -1.39 0.00 -1.26 -4.43 107.32 98.72 1u3h s GLY 42 Ca 0.35 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 44.10 1u3h s GLY 42 CO 0.23 -0.15 1.06 -4.14 0.00 0.00 0.00 173.10 170.10 1u3h s PRO 43 N -5.53 3.06 0.00 2.90 0.02 -1.26 -4.50 135.00 129.68 1u3h s PRO 43 Ca 0.68 1.11 0.01 0.00 0.02 0.00 0.00 61.00 62.82 1u3h s PRO 43 Cb -0.10 -2.00 -0.00 0.00 0.02 0.00 0.00 34.50 32.42 1u3h s PRO 43 CO 0.53 -1.01 -0.03 0.00 -0.33 0.00 0.00 177.00 176.16 1u3h s ALA 44 N -2.72 0.23 0.21 -1.55 0.00 0.79 -4.89 121.76 113.83 1u3h s ALA 44 Ca 0.61 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 1u3h s ALA 44 Cb -0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 23.12 22.81 1u3h s ALA 44 CO 0.46 0.04 1.65 -1.17 0.00 0.00 0.00 175.76 176.74 1u3h s LEU 45 N -0.19 4.37 -0.19 0.00 2.96 -1.26 0.16 118.68 124.53 1u3h s LEU 45 Ca -0.00 2.81 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 1u3h s LEU 45 Cb -0.02 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.99 1u3h s LEU 45 CO -0.00 -0.92 -0.27 -0.11 -1.32 0.00 0.00 176.35 173.73 1u3h n LEU 46 N 3.62 1.54 -3.64 -0.68 7.94 0.13 -4.79 117.00 121.11 1u3h n LEU 46 Ca 0.14 0.26 -0.05 0.00 -1.11 0.00 0.00 56.01 55.25 1u3h n LEU 46 Cb 0.37 -0.62 -0.07 0.00 0.53 0.00 0.00 43.42 43.63 1u3h n LEU 46 CO 0.63 0.24 0.72 -0.51 -1.11 0.00 0.00 177.39 177.36 1u3h s ILE 47 N -2.45 0.00 0.29 1.96 2.07 -1.17 -5.02 121.20 116.88 1u3h s ILE 47 Ca -0.28 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.06 1u3h s ILE 47 Cb 0.09 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.63 1u3h s ILE 47 CO 0.36 0.00 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.32 1u3h s SER 48 N 0.92 3.35 0.03 4.50 1.04 -1.26 -1.76 113.70 120.52 1u3h s SER 48 Ca -0.04 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.20 1u3h s SER 48 Cb -0.04 -0.27 -0.00 0.00 0.10 0.00 0.00 66.02 65.80 1u3h s SER 48 CO -0.12 -0.14 0.13 -0.51 0.98 0.00 0.00 173.24 173.58 1u3h s ILE 49 N -2.70 0.12 -0.03 -1.02 2.07 -1.19 -4.97 121.20 113.48 1u3h s ILE 49 Ca 0.30 -0.97 0.01 0.00 -1.41 0.00 0.00 60.65 58.58 1u3h s ILE 49 Cb -0.00 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 1u3h s ILE 49 CO 0.14 -0.53 -0.01 -0.76 -1.91 0.00 0.00 174.94 171.86 1u3h s LEU 50 N -1.98 3.45 0.00 8.50 1.43 -1.26 -1.34 118.68 127.48 1u3h s LEU 50 Ca -0.07 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1u3h s LEU 50 Cb -0.02 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1u3h s LEU 50 CO -0.03 0.32 0.48 -1.54 0.23 0.00 0.00 176.35 175.80 1u3h n SER 51 N 1.72 0.00 0.01 2.29 3.41 0.98 -1.49 113.62 120.54 1u3h n SER 51 Ca -0.16 0.10 -0.18 0.00 -0.26 0.00 0.00 58.87 58.37 1u3h n SER 51 Cb 0.53 -0.10 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 1u3h n SER 51 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1u3h h VAL 52 N 0.00 1.50 -2.83 -3.33 2.07 -1.93 -3.45 116.25 108.28 1u3h h VAL 52 Ca 0.00 -2.24 -0.64 0.00 0.82 0.00 0.00 66.70 64.65 1u3h h VAL 52 Cb 0.11 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 1u3h h VAL 52 CO 0.00 0.63 -0.46 -0.94 0.02 0.00 0.00 177.57 176.82 1u3h s SER 53 N -6.72 6.41 0.00 0.57 1.04 -0.55 -5.00 113.70 109.45 1u3h s SER 53 Ca -0.14 0.42 0.23 0.00 0.48 0.00 0.00 55.95 56.93 1u3h s SER 53 Cb 0.02 -2.03 0.48 0.00 0.10 0.00 0.00 66.02 64.58 1u3h s SER 53 CO 0.80 0.27 1.43 -0.90 0.98 0.00 0.00 173.24 175.82 1u3h n ASP 54 N 1.06 3.59 -3.70 7.02 5.75 -1.26 -4.67 116.55 124.32 1u3h n ASP 54 Ca -0.11 -1.99 -0.11 0.00 -0.01 0.00 0.00 54.79 52.56 1u3h n ASP 54 Cb 0.53 -0.32 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.33 0.47 -0.22 0.11 2.20 -1.26 -1.88 119.74 117.82 1u3h s LYS 55 Ca 0.41 0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 56.73 1u3h s LYS 55 Cb 0.23 0.11 0.12 0.00 -1.51 0.00 0.00 37.83 36.78 1u3h s LYS 55 CO 0.32 -0.12 0.31 0.21 -0.36 0.00 0.00 175.35 175.71 1u3h s LYS 56 N 0.90 0.28 0.05 4.03 2.47 -0.46 -5.01 119.74 122.00 1u3h s LYS 56 Ca -0.05 0.41 0.09 0.00 -1.56 0.00 0.00 55.97 54.86 1u3h s LYS 56 Cb -0.06 -0.76 -0.03 0.00 -1.46 0.00 0.00 37.83 35.52 1u3h s LYS 56 CO -0.07 -0.64 -0.26 -1.83 0.16 0.00 0.00 175.35 172.71 1u3h s GLU 57 N 2.46 1.74 -0.39 4.03 -1.05 -1.26 -0.09 118.70 124.13 1u3h s GLU 57 Ca 0.10 -1.12 0.06 0.00 -0.15 0.00 0.00 54.97 53.85 1u3h s GLU 57 Cb -0.15 -1.94 0.17 0.00 -0.44 0.00 0.00 34.13 31.76 1u3h s GLU 57 CO -0.14 0.50 0.51 0.34 0.95 0.00 0.00 175.26 177.42 1u3h s ASP 58 N -1.31 -0.26 0.13 0.83 2.15 -0.49 -5.01 116.67 112.70 1u3h s ASP 58 Ca 0.12 -1.13 0.00 0.00 0.43 0.00 0.00 52.55 51.97 1u3h s ASP 58 Cb -0.10 1.31 0.00 0.00 -0.30 0.00 0.00 42.92 43.83 1u3h s ASP 58 CO 0.02 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 1u3h n GLY 59 N 4.37 0.58 0.13 2.66 0.00 -1.26 -3.69 105.19 107.97 1u3h n GLY 59 Ca 0.11 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -6.48 1.61 3.08 -1.93 -3.45 114.38 107.21 1u3h h ARG 61 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1u3h h ARG 61 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1u3h h ARG 61 CO 0.00 0.63 0.46 -0.06 -1.07 0.00 0.00 179.97 179.93 1u3h s PHE 62 N -3.21 3.57 -0.21 3.04 0.08 -1.24 -1.80 117.98 118.20 1u3h s PHE 62 Ca 0.01 1.53 -0.04 0.00 0.12 0.00 0.00 56.93 58.55 1u3h s PHE 62 Cb 0.10 -3.26 0.10 0.00 -0.57 0.00 0.00 43.02 39.39 1u3h s PHE 62 CO 0.75 -0.59 0.24 0.99 -0.10 0.00 0.00 175.22 176.51 1u3h s THR 63 N 0.82 -0.35 0.08 0.64 2.01 -0.39 -1.40 115.64 117.04 1u3h s THR 63 Ca 0.54 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 1u3h s THR 63 Cb -0.26 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1u3h s THR 63 CO 0.29 -0.21 0.93 -0.63 -0.69 0.00 0.00 174.62 174.32 1u3h s ILE 64 N 2.35 4.59 -0.20 1.82 1.01 0.87 -2.16 121.20 129.48 1u3h s ILE 64 Ca 0.08 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.73 1u3h s ILE 64 Cb -0.16 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.05 1u3h s ILE 64 CO -0.13 0.30 -0.16 -0.36 0.00 0.00 0.00 174.94 174.59 1u3h s PHE 65 N 0.15 2.90 -0.18 3.97 0.40 -0.41 -1.36 117.98 123.45 1u3h s PHE 65 Ca 0.46 -1.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.09 1u3h s PHE 65 Cb -0.22 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 1u3h s PHE 65 CO 0.28 -0.78 -0.02 0.12 0.70 0.00 0.00 175.22 175.52 1u3h s PHE 66 N 1.29 3.03 -0.55 0.36 5.36 -0.79 -1.67 117.98 125.01 1u3h s PHE 66 Ca 0.03 -0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 55.54 1u3h s PHE 66 Cb -0.15 -2.03 0.14 0.00 -0.34 0.00 0.00 43.02 40.65 1u3h s PHE 66 CO -0.10 -0.15 0.40 1.21 -1.46 0.00 0.00 175.22 175.12 1u3h s ASN 67 N 0.72 5.56 0.00 6.13 3.04 -0.77 -4.55 114.94 125.07 1u3h s ASN 67 Ca -0.01 -2.37 0.00 0.00 0.04 0.00 0.00 52.86 50.53 1u3h s ASN 67 Cb -0.14 -1.94 0.00 0.00 -1.54 0.00 0.00 41.25 37.63 1u3h s ASN 67 CO 0.02 -0.53 0.62 1.17 -3.04 0.00 0.00 177.10 175.33 1u3h n LYS 68 N 4.23 0.00 -0.95 0.43 3.00 -1.26 -2.56 118.16 121.05 1u3h n LYS 68 Ca 0.01 0.62 -0.30 0.00 -0.00 0.00 0.00 58.31 58.64 1u3h n LYS 68 Cb 0.40 -1.10 0.16 0.00 0.00 0.00 0.00 35.03 34.50 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 -1.54 0.87 0.00 1.64 1.70 -1.26 -1.77 118.95 118.58 1u3h s ARG 69 Ca 0.00 1.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.31 1u3h s ARG 69 Cb 0.00 -1.75 0.00 0.00 -0.57 0.00 0.00 34.95 32.63 1u3h s ARG 69 CO 0.00 -2.57 0.00 -1.91 -1.08 0.00 0.00 175.30 169.74 1u3h n GLU 70 N -4.14 0.00 -4.41 3.89 2.13 -1.26 -4.03 120.64 112.81 1u3h n GLU 70 Ca 0.08 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.53 1u3h n GLU 70 Cb 0.54 -2.84 -0.09 0.00 0.27 0.00 0.00 31.44 29.32 1u3h n GLU 70 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1u3h n LYS 71 N -1.96 -0.97 -3.33 5.31 5.02 -0.73 -4.90 118.16 116.60 1u3h n LYS 71 Ca 0.00 0.13 -0.20 0.00 -2.02 0.00 0.00 58.31 56.22 1u3h n LYS 71 Cb 0.00 -4.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.85 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 -7.29 3.09 -0.29 1.97 1.02 -1.06 -2.97 119.74 114.21 1u3h s LYS 72 Ca 0.40 -0.88 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 1u3h s LYS 72 Cb -0.23 -2.75 0.13 0.00 -0.52 0.00 0.00 37.83 34.45 1u3h s LYS 72 CO 1.01 -0.04 0.90 -1.17 -0.92 0.00 0.00 175.35 175.13 1u3h s LEU 73 N -4.28 -0.62 0.01 3.17 2.96 -0.14 -1.84 118.68 117.93 1u3h s LEU 73 Ca 0.46 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 1u3h s LEU 73 Cb -0.10 1.92 -0.01 0.00 0.50 0.00 0.00 46.19 48.50 1u3h s LEU 73 CO 0.33 -0.16 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.24 1u3h s SER 74 N 1.37 0.18 -0.20 3.68 1.04 -0.67 0.16 113.70 119.26 1u3h s SER 74 Ca -0.09 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.03 1u3h s SER 74 Cb -0.04 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1u3h s SER 74 CO -0.16 -0.14 0.00 -0.22 0.98 0.00 0.00 173.24 173.71 1u3h s LEU 75 N -0.75 3.28 -0.22 2.42 2.96 0.69 -1.29 118.68 125.77 1u3h s LEU 75 Ca -0.08 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1u3h s LEU 75 Cb -0.05 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1u3h s LEU 75 CO -0.00 0.06 0.02 -1.00 -1.32 0.00 0.00 176.35 174.11 1u3h s HIS 76 N 1.03 3.05 -0.63 5.38 3.76 -0.92 -0.63 115.29 126.33 1u3h s HIS 76 Ca 0.02 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.33 1u3h s HIS 76 Cb -0.14 -2.15 0.16 0.00 1.11 0.00 0.00 32.58 31.56 1u3h s HIS 76 CO 0.02 -0.32 0.51 0.42 -0.85 0.00 0.00 174.74 174.51 1u3h s ILE 77 N 1.29 4.57 0.52 0.60 1.01 0.38 -1.27 121.20 128.30 1u3h s ILE 77 Ca 0.04 -2.30 -0.19 0.00 0.00 0.00 0.00 60.65 58.20 1u3h s ILE 77 Cb -0.15 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 1u3h s ILE 77 CO 0.02 -0.89 1.04 0.00 0.00 0.00 0.00 174.94 175.11 1u3h s ALA 78 N 0.62 2.85 -0.64 9.38 0.00 -0.75 -1.21 121.76 132.01 1u3h s ALA 78 Ca 0.12 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1u3h s ALA 78 Cb -0.20 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1u3h s ALA 78 CO -0.04 -0.44 0.64 -3.47 0.00 0.00 0.00 175.76 172.46 1u3h n ASP 79 N -1.30 -6.46 -3.28 0.00 -0.08 -0.87 -4.75 116.55 99.81 1u3h n ASP 79 Ca 0.09 -0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1u3h n ASP 79 Cb 0.53 -3.45 0.00 0.00 2.34 0.00 0.00 41.12 40.53 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 -1.37 -1.01 0.00 1.67 7.64 0.72 -4.69 113.62 116.58 1u3h n SER 80 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1u3h n SER 80 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.01 0.00 -0.49 1.43 7.27 -1.26 -3.66 117.38 119.66 1u3h n GLN 81 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 1u3h n GLN 81 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 1u3h n GLN 81 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1u3h n PRO 82 N -0.13 1.33 0.00 3.69 -0.04 -1.26 -0.32 135.00 138.28 1u3h n PRO 82 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1u3h n PRO 82 Cb 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1u3h n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u3h n GLY 83 N 3.87 0.00 0.98 0.55 0.00 -1.26 -4.83 105.19 104.50 1u3h n GLY 83 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.30 2.46 -4.40 1.61 8.00 0.57 -4.76 116.55 119.72 1u3h n ASP 84 Ca 0.00 -2.25 -0.45 0.00 0.71 0.00 0.00 54.79 52.80 1u3h n ASP 84 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1u3h n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1u3h s SER 85 N 0.11 6.53 0.00 -2.24 0.01 -1.26 -4.83 113.70 112.02 1u3h s SER 85 Ca 0.12 -1.98 0.00 0.00 1.31 0.00 0.00 55.95 55.39 1u3h s SER 85 Cb 0.09 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1u3h s SER 85 CO 0.03 -0.99 0.00 0.00 0.41 0.00 0.00 173.24 172.69 1u3h n ALA 86 N 5.97 0.00 -2.78 1.44 0.00 -1.19 -4.89 120.51 119.06 1u3h n ALA 86 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 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 -2.69 4.81 -0.27 0.00 2.01 -0.44 -1.88 115.64 117.18 1u3h s THR 87 Ca 0.00 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1u3h s THR 87 Cb 0.00 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.47 1u3h s THR 87 CO 0.00 0.59 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.18 1u3h s TYR 88 N -0.73 3.13 -0.09 4.92 2.02 -0.66 -0.77 117.35 125.18 1u3h s TYR 88 Ca 0.12 -1.60 -0.14 0.00 -0.37 0.00 0.00 57.07 55.08 1u3h s TYR 88 Cb -0.12 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 1u3h s TYR 88 CO 0.03 -0.74 0.33 -0.06 -1.57 0.00 0.00 175.55 173.54 1u3h s PHE 89 N 1.32 3.59 -0.30 2.71 0.08 -0.43 -2.90 117.98 122.05 1u3h s PHE 89 Ca -0.01 0.77 -0.07 0.00 0.12 0.00 0.00 56.93 57.73 1u3h s PHE 89 Cb -0.18 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.00 1u3h s PHE 89 CO -0.03 0.46 0.09 0.00 -0.10 0.00 0.00 175.22 175.65 1u3h s ALA 91 N 1.52 3.89 -0.01 0.00 0.00 -0.43 -1.86 121.76 124.86 1u3h s ALA 91 Ca 0.03 -1.91 -0.23 0.00 0.00 0.00 0.00 51.96 49.85 1u3h s ALA 91 Cb -0.17 -0.87 0.05 0.00 0.00 0.00 0.00 23.12 22.12 1u3h s ALA 91 CO 0.03 -0.17 0.51 0.00 0.00 0.00 0.00 175.76 176.13 1u3h s ALA 92 N -2.48 -1.30 0.01 0.00 0.00 -0.89 -3.36 121.76 113.74 1u3h s ALA 92 Ca 0.45 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1u3h s ALA 92 Cb -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1u3h s ALA 92 CO 0.26 -0.37 0.01 -1.54 0.00 0.00 0.00 175.76 174.13 1u3h s SER 93 N -1.45 0.16 0.56 0.00 1.04 -0.61 -0.72 113.70 112.69 1u3h s SER 93 Ca -0.10 -0.37 -0.08 0.00 0.48 0.00 0.00 55.95 55.87 1u3h s SER 93 Cb -0.02 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1u3h s SER 93 CO 0.05 -0.28 0.92 0.00 0.98 0.00 0.00 173.24 174.91 1u3h s ALA 98 N -1.27 3.23 0.03 5.32 0.00 -1.26 -1.03 121.76 126.77 1u3h s ALA 98 Ca -0.14 -0.30 0.32 0.00 0.00 0.00 0.00 51.96 51.83 1u3h s ALA 98 Cb -0.08 -2.84 1.48 0.00 0.00 0.00 0.00 23.12 21.67 1u3h s ALA 98 CO -0.00 -0.56 1.95 -2.95 0.00 0.00 0.00 175.76 174.20 1u3h h ASN 99 N -0.08 0.00 -4.14 0.00 7.08 -1.36 -3.39 115.58 113.68 1u3h h ASN 99 Ca -0.45 0.00 -0.45 0.00 -3.08 0.00 0.00 56.30 52.31 1u3h h ASN 99 Cb 1.20 0.00 0.14 0.00 -2.08 0.00 0.00 38.32 37.58 1u3h h ASN 99 CO 0.62 0.00 0.32 -0.94 -2.08 0.00 0.00 177.43 175.35 1u3h s SER 100 N -4.90 3.18 -0.60 6.14 1.04 -1.26 -4.90 113.70 112.40 1u3h s SER 100 Ca -0.00 0.74 -0.02 0.00 0.48 0.00 0.00 55.95 57.16 1u3h s SER 100 Cb 0.09 -1.15 0.40 0.00 0.10 0.00 0.00 66.02 65.47 1u3h s SER 100 CO 0.41 -2.73 2.04 0.61 0.98 0.00 0.00 173.24 174.55 1u3h n GLY 101 N -2.51 5.51 3.71 7.32 0.00 -1.26 -4.95 105.19 113.02 1u3h n GLY 101 Ca 0.09 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 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 -4.31 2.47 0.68 2.61 -4.23 -1.26 -5.02 115.64 106.59 1u3h s THR 102 Ca 0.58 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 61.13 1u3h s THR 102 Cb 0.46 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.90 1u3h s THR 102 CO -0.01 -0.19 1.07 -0.72 -0.54 0.00 0.00 174.62 174.22 1u3h s TYR 103 N -2.63 2.96 0.29 3.99 -0.85 -1.26 -4.40 117.35 115.45 1u3h s TYR 103 Ca 0.66 1.47 -0.30 0.00 -0.52 0.00 0.00 57.07 58.39 1u3h s TYR 103 Cb -0.22 -2.95 -0.11 0.00 0.38 0.00 0.00 41.96 39.06 1u3h s TYR 103 CO 0.55 -1.33 1.49 -0.65 -1.52 0.00 0.00 175.55 174.10 1u3h s GLN 104 N -4.74 4.20 -0.21 -3.49 -0.21 -1.26 -4.70 119.66 109.24 1u3h s GLN 104 Ca 0.60 2.43 -0.05 0.00 0.02 0.00 0.00 55.36 58.36 1u3h s GLN 104 Cb -0.15 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 1u3h s GLN 104 CO 0.50 -0.49 0.01 1.03 -2.12 0.00 0.00 175.29 174.22 1u3h s ARG 105 N -0.79 3.62 0.12 2.91 1.81 0.10 -4.94 118.95 121.78 1u3h s ARG 105 Ca 0.59 -0.52 -0.11 0.00 -1.72 0.00 0.00 55.73 53.98 1u3h s ARG 105 Cb -0.44 -3.12 -0.06 0.00 -0.45 0.00 0.00 34.95 30.87 1u3h s ARG 105 CO 0.49 -0.03 0.45 -0.06 -0.68 0.00 0.00 175.30 175.47 1u3h s PHE 106 N 1.13 3.57 0.57 -0.53 0.40 -1.26 -2.09 117.98 119.77 1u3h s PHE 106 Ca 0.03 0.85 -0.08 0.00 -0.60 0.00 0.00 56.93 57.13 1u3h s PHE 106 Cb -0.14 -2.21 0.13 0.00 0.51 0.00 0.00 43.02 41.30 1u3h s PHE 106 CO 0.02 0.46 0.77 0.41 0.70 0.00 0.00 175.22 177.58 1u3h n GLY 107 N 0.72 -0.93 0.21 4.36 0.00 -0.78 -4.65 105.19 104.11 1u3h n GLY 107 Ca -0.06 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.27 0.69 0.00 2.61 2.02 -1.88 -3.46 112.91 111.62 1u3h h THR 108 Ca -0.25 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1u3h h THR 108 Cb 0.73 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1u3h h THR 108 CO 0.19 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.75 1u3h n GLY 109 N -0.88 3.06 3.05 2.16 0.00 -1.26 -5.03 105.19 106.30 1u3h n GLY 109 Ca -0.10 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.67 1.42 -0.17 2.61 2.01 -1.14 -4.81 115.64 113.88 1u3h s THR 110 Ca 0.00 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.20 1u3h s THR 110 Cb 0.00 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1u3h s THR 110 CO 0.00 0.42 0.53 -0.54 -0.69 0.00 0.00 174.62 174.34 1u3h s LYS 111 N 0.88 4.24 -0.08 4.92 1.02 -1.25 -1.65 119.74 127.82 1u3h s LYS 111 Ca -0.09 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.40 1u3h s LYS 111 Cb -0.15 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1u3h s LYS 111 CO 0.00 -0.08 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.01 1u3h s LEU 112 N 1.39 2.52 -0.12 3.17 2.96 -0.79 0.10 118.68 127.91 1u3h s LEU 112 Ca 0.26 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1u3h s LEU 112 Cb -0.15 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1u3h s LEU 112 CO 0.10 0.26 -0.19 -1.10 -1.32 0.00 0.00 176.35 174.10 1u3h s GLN 113 N -0.24 2.69 -0.36 1.98 -0.21 0.14 -3.19 119.66 120.48 1u3h s GLN 113 Ca 0.00 -0.74 -0.06 0.00 0.02 0.00 0.00 55.36 54.58 1u3h s GLN 113 Cb -0.13 -2.19 0.05 0.00 1.00 0.00 0.00 33.01 31.74 1u3h s GLN 113 CO 0.03 -0.01 0.14 0.08 -2.12 0.00 0.00 175.29 173.41 1u3h s VAL 114 N 0.82 3.80 -0.14 1.09 1.01 -1.25 -0.06 120.40 125.66 1u3h s VAL 114 Ca -0.08 -1.28 -0.09 0.00 0.00 0.00 0.00 61.98 60.52 1u3h s VAL 114 Cb -0.16 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1u3h s VAL 114 CO -0.00 -0.29 0.17 -0.69 0.00 0.00 0.00 175.10 174.29 1u3h s VAL 115 N 1.38 5.42 -1.24 2.92 1.01 -0.88 -4.21 120.40 124.80 1u3h s VAL 115 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1u3h s VAL 115 Cb -0.21 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1u3h s VAL 115 CO 0.02 0.53 0.31 -2.65 0.00 0.00 0.00 175.10 173.31