#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3h s VAL 4 N 0.00 2.51 -0.02 0.00 1.01 -1.26 -3.59 120.40 119.04 1u3h s VAL 4 Ca 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 60.76 1u3h s VAL 4 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1u3h s VAL 4 CO 0.00 0.35 -0.23 -0.89 0.00 0.00 0.00 175.10 174.33 1u3h s THR 5 N -0.88 1.79 -0.12 3.92 2.01 0.31 -4.26 115.64 118.42 1u3h s THR 5 Ca 0.13 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1u3h s THR 5 Cb -0.10 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1u3h s THR 5 CO 0.04 0.51 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.25 1u3h s GLN 6 N -0.45 2.05 0.00 4.92 -0.21 -1.26 0.25 119.66 124.96 1u3h s GLN 6 Ca 0.06 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1u3h s GLN 6 Cb -0.09 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.05 1u3h s GLN 6 CO -0.00 -0.17 0.00 0.45 -2.12 0.00 0.00 175.29 173.45 1u3h n SER 7 N 4.55 0.00 -4.40 5.90 2.88 -0.69 -4.35 113.62 117.51 1u3h n SER 7 Ca -0.17 0.00 -0.52 0.00 -1.33 0.00 0.00 58.87 56.85 1u3h n SER 7 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1u3h n SER 7 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1u3h n PRO 8 N 0.00 0.79 0.04 -1.46 -0.02 -1.26 -4.71 135.00 128.37 1u3h n PRO 8 Ca 0.00 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1u3h n PRO 8 Cb 0.00 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.17 1u3h n PRO 8 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1u3h h ARG 9 N 11.80 0.00 -1.19 -0.52 1.12 -1.83 -3.42 114.38 120.33 1u3h h ARG 9 Ca -0.22 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.58 1u3h h ARG 9 Cb 1.34 0.00 -0.22 0.00 -0.01 0.00 0.00 29.97 31.08 1u3h h ARG 9 CO 1.05 0.27 -0.45 -0.80 -3.11 0.00 0.00 179.97 176.93 1u3h s ASN 10 N -5.76 -1.04 0.05 -3.80 0.01 -1.26 -2.77 114.94 100.36 1u3h s ASN 10 Ca -0.03 -0.36 0.09 0.00 -0.71 0.00 0.00 52.86 51.85 1u3h s ASN 10 Cb 0.09 1.74 -0.03 0.00 0.41 0.00 0.00 41.25 43.46 1u3h s ASN 10 CO 0.81 -0.26 -0.23 -0.75 -1.51 0.00 0.00 177.10 175.15 1u3h s LYS 11 N 2.36 1.85 -0.05 -0.60 2.36 -0.55 -4.99 119.74 120.12 1u3h s LYS 11 Ca 0.12 -1.09 0.00 0.00 -2.55 0.00 0.00 55.97 52.45 1u3h s LYS 11 Cb -0.09 -2.05 0.02 0.00 -1.05 0.00 0.00 37.83 34.67 1u3h s LYS 11 CO -0.19 0.52 -0.03 0.08 1.55 0.00 0.00 175.35 177.28 1u3h s VAL 12 N -0.88 0.46 0.35 4.02 1.01 -1.26 -2.00 120.40 122.10 1u3h s VAL 12 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1u3h s VAL 12 Cb -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1u3h s VAL 12 CO 0.04 0.23 0.15 0.00 0.00 0.00 0.00 175.10 175.52 1u3h s ALA 13 N 1.28 2.33 0.27 5.51 0.00 -0.14 -4.96 121.76 126.05 1u3h s ALA 13 Ca -0.05 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.08 1u3h s ALA 13 Cb -0.14 1.00 -0.09 0.00 0.00 0.00 0.00 23.12 23.89 1u3h s ALA 13 CO -0.02 -0.44 0.79 0.08 0.00 0.00 0.00 175.76 176.17 1u3h s VAL 14 N -3.42 4.49 -1.01 0.00 1.01 -1.26 -3.96 120.40 116.24 1u3h s VAL 14 Ca 0.32 1.38 -0.26 0.00 0.00 0.00 0.00 61.98 63.42 1u3h s VAL 14 Cb 0.04 -3.85 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 1u3h s VAL 14 CO 0.17 0.11 2.16 -0.89 0.00 0.00 0.00 175.10 176.66 1u3h s THR 15 N -1.64 3.11 0.00 3.92 2.01 -1.22 -0.71 115.64 121.11 1u3h s THR 15 Ca 0.47 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1u3h s THR 15 Cb -0.16 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1u3h s THR 15 CO 0.21 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1u3h n GLY 16 N 6.32 -0.33 3.85 4.40 0.00 -0.71 -4.91 105.19 113.80 1u3h n GLY 16 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 1u3h n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u3h s GLU 17 N 0.00 2.75 -0.67 1.61 2.12 0.12 -4.43 118.70 120.19 1u3h s GLU 17 Ca 0.00 0.61 -0.14 0.00 0.36 0.00 0.00 54.97 55.79 1u3h s GLU 17 Cb 0.00 -2.00 0.17 0.00 0.26 0.00 0.00 34.13 32.57 1u3h s GLU 17 CO 0.00 -1.14 0.61 0.21 -0.54 0.00 0.00 175.26 174.40 1u3h s LYS 18 N -5.24 3.23 0.41 4.30 2.20 -1.26 -0.65 119.74 122.72 1u3h s LYS 18 Ca 0.58 -2.09 -0.10 0.00 -0.36 0.00 0.00 55.97 54.00 1u3h s LYS 18 Cb -0.12 -4.32 -0.06 0.00 -1.51 0.00 0.00 37.83 31.82 1u3h s LYS 18 CO 0.53 -1.30 0.77 0.08 -0.36 0.00 0.00 175.35 175.07 1u3h s VAL 19 N 0.86 4.80 -0.38 4.02 1.01 -0.28 -4.90 120.40 125.52 1u3h s VAL 19 Ca 0.11 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.71 1u3h s VAL 19 Cb -0.20 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.60 1u3h s VAL 19 CO -0.03 -0.54 0.43 -0.89 0.00 0.00 0.00 175.10 174.06 1u3h s THR 20 N -2.40 -0.45 -0.76 3.92 2.01 -1.26 -0.68 115.64 116.03 1u3h s THR 20 Ca 0.51 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 1u3h s THR 20 Cb -0.10 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 71.90 1u3h s THR 20 CO 0.32 -0.48 1.27 -0.76 -0.69 0.00 0.00 174.62 174.28 1u3h s LEU 21 N 1.46 3.31 0.47 4.42 1.02 0.25 -4.79 118.68 124.82 1u3h s LEU 21 Ca 0.17 -0.60 -0.09 0.00 0.02 0.00 0.00 54.13 53.63 1u3h s LEU 21 Cb -0.13 -2.55 -0.05 0.00 0.02 0.00 0.00 46.19 43.48 1u3h s LEU 21 CO -0.03 -1.77 0.82 -0.94 0.02 0.00 0.00 176.35 174.45 1u3h s SER 22 N 3.85 6.38 0.14 2.29 1.04 -1.26 -1.33 113.70 124.80 1u3h s SER 22 Ca 0.35 1.10 0.01 0.00 0.48 0.00 0.00 55.95 57.89 1u3h s SER 22 Cb -0.08 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 1u3h s SER 22 CO 0.12 -0.54 -0.02 0.00 0.98 0.00 0.00 173.24 173.79 1u3h s ASN 24 N -3.10 -0.63 -0.03 0.00 2.47 0.14 -2.50 114.94 111.28 1u3h s ASN 24 Ca 0.19 1.22 -0.02 0.00 0.42 0.00 0.00 52.86 54.66 1u3h s ASN 24 Cb 0.06 1.23 0.01 0.00 -1.45 0.00 0.00 41.25 41.10 1u3h s ASN 24 CO 0.00 -0.21 0.08 0.00 -3.72 0.00 0.00 177.10 173.25 1u3h s GLN 25 N 0.37 0.08 0.00 0.43 1.03 -0.85 0.11 119.66 120.83 1u3h s GLN 25 Ca -0.00 0.14 0.24 0.00 0.04 0.00 0.00 55.36 55.78 1u3h s GLN 25 Cb -0.04 -0.01 0.27 0.00 0.03 0.00 0.00 33.01 33.25 1u3h s GLN 25 CO 0.00 -0.04 1.31 2.41 -2.54 0.00 0.00 175.29 176.42 1u3h n THR 26 N 3.28 0.17 0.22 3.63 -1.04 -1.24 -4.35 114.28 114.95 1u3h n THR 26 Ca -0.15 -0.58 0.03 0.00 -2.04 0.00 0.00 64.05 61.31 1u3h n THR 26 Cb 0.58 1.33 0.14 0.00 -1.82 0.00 0.00 70.33 70.56 1u3h n THR 26 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1u3h n ASN 27 N 1.41 0.00 -2.41 8.00 3.02 -1.26 -4.82 115.26 119.20 1u3h n ASN 27 Ca 0.16 0.49 -0.19 0.00 -0.03 0.00 0.00 54.58 55.01 1u3h n ASN 27 Cb 0.60 -0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1u3h n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1u3h n ASN 28 N -1.49 -5.40 -4.81 6.41 2.85 -1.26 -4.95 115.26 106.61 1u3h n ASN 28 Ca 0.02 0.04 -0.33 0.00 -0.11 0.00 0.00 54.58 54.19 1u3h n ASN 28 Cb 0.07 -4.51 -0.03 0.00 1.24 0.00 0.00 39.78 36.55 1u3h n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1u3h s HIS 29 N -2.93 3.10 0.10 1.20 3.76 -1.26 -5.00 115.29 114.26 1u3h s HIS 29 Ca 0.00 1.55 -0.08 0.00 -0.15 0.00 0.00 55.06 56.37 1u3h s HIS 29 Cb 0.00 -2.98 -0.17 0.00 1.11 0.00 0.00 32.58 30.54 1u3h s HIS 29 CO 0.00 -0.76 1.24 -0.91 -0.85 0.00 0.00 174.74 173.46 1u3h h ASN 30 N 1.19 0.68 -4.15 1.40 2.35 -1.88 -3.46 115.58 111.71 1u3h h ASN 30 Ca -0.48 -0.57 -0.66 0.00 -0.55 0.00 0.00 56.30 54.04 1u3h h ASN 30 Cb 1.21 -0.21 -0.24 0.00 0.05 0.00 0.00 38.32 39.13 1u3h h ASN 30 CO 0.59 1.37 -0.87 0.54 -1.65 0.00 0.00 177.43 177.42 1u3h s ASN 31 N -7.19 3.06 0.32 5.81 6.03 -0.98 -3.36 114.94 118.63 1u3h s ASN 31 Ca -0.07 -0.65 0.10 0.00 -1.03 0.00 0.00 52.86 51.21 1u3h s ASN 31 Cb 0.08 -0.24 -0.06 0.00 -3.03 0.00 0.00 41.25 38.00 1u3h s ASN 31 CO 0.89 0.20 -0.12 -0.04 -2.03 0.00 0.00 177.10 176.00 1u3h s MET 32 N -1.59 1.76 0.18 3.55 -1.94 -1.06 -1.05 119.30 119.16 1u3h s MET 32 Ca 0.11 -1.88 0.02 0.00 -1.71 0.00 0.00 55.69 52.24 1u3h s MET 32 Cb -0.10 -1.69 -0.01 0.00 2.01 0.00 0.00 34.83 35.05 1u3h s MET 32 CO 0.04 0.19 0.08 0.66 -0.01 0.00 0.00 175.02 175.98 1u3h n TYR 33 N -0.73 -0.04 -3.15 -0.03 4.02 0.13 -0.92 117.16 116.44 1u3h n TYR 33 Ca -0.05 -1.25 0.04 0.00 -0.01 0.00 0.00 57.90 56.64 1u3h n TYR 33 Cb 0.62 0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.97 1u3h n TYR 33 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1u3h s TRP 34 N -2.35 -1.52 0.24 -0.72 0.23 -1.04 -3.32 118.94 110.47 1u3h s TRP 34 Ca 0.12 1.01 0.03 0.00 -2.03 0.00 0.00 56.10 55.22 1u3h s TRP 34 Cb 0.01 0.31 0.03 0.00 0.03 0.00 0.00 33.47 33.84 1u3h s TRP 34 CO 0.08 -0.87 0.25 0.66 0.96 0.00 0.00 176.95 178.03 1u3h n TYR 35 N 5.37 -1.78 -3.62 -1.98 4.02 -0.19 -1.60 117.16 117.37 1u3h n TYR 35 Ca 0.04 -0.97 -0.04 0.00 -0.01 0.00 0.00 57.90 56.93 1u3h n TYR 35 Cb 0.54 -0.21 -0.06 0.00 -0.02 0.00 0.00 39.34 39.59 1u3h n TYR 35 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1u3h s ARG 36 N -3.04 0.48 0.02 -0.72 1.70 -1.11 -2.50 118.95 113.77 1u3h s ARG 36 Ca 0.19 1.25 -0.18 0.00 -0.47 0.00 0.00 55.73 56.52 1u3h s ARG 36 Cb -0.02 0.62 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 1u3h s ARG 36 CO 0.12 -0.26 0.51 -1.14 -1.08 0.00 0.00 175.30 173.45 1u3h s GLN 37 N 2.78 4.14 -0.13 3.89 0.74 -0.28 -3.20 119.66 127.59 1u3h s GLN 37 Ca -0.02 0.59 -0.07 0.00 0.05 0.00 0.00 55.36 55.91 1u3h s GLN 37 Cb -0.12 -3.27 0.05 0.00 1.10 0.00 0.00 33.01 30.77 1u3h s GLN 37 CO -0.17 0.57 0.31 -0.51 -0.55 0.00 0.00 175.29 174.95 1u3h s ASP 38 N -0.78 -0.35 -0.15 6.67 1.01 -1.16 -3.91 116.67 118.00 1u3h s ASP 38 Ca 0.27 0.68 -0.38 0.00 0.71 0.00 0.00 52.55 53.83 1u3h s ASP 38 Cb -0.18 0.57 -0.15 0.00 1.01 0.00 0.00 42.92 44.17 1u3h s ASP 38 CO 0.16 -0.18 1.70 0.35 0.21 0.00 0.00 175.17 177.41 1u3h n THR 39 N 4.29 0.30 0.00 -1.27 -2.24 -1.26 -1.97 114.28 112.12 1u3h n THR 39 Ca -0.24 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1u3h n THR 39 Cb 0.54 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1u3h n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u3h n GLY 40 N 3.91 2.83 2.92 3.38 0.00 -1.26 -4.94 105.19 112.04 1u3h n GLY 40 Ca 0.24 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1u3h n GLY 40 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u3h s HIS 41 N 0.00 3.53 0.00 1.61 0.00 -0.83 -5.08 115.29 114.52 1u3h s HIS 41 Ca 0.00 -3.29 0.00 0.00 -3.00 0.00 0.00 55.06 48.77 1u3h s HIS 41 Cb 0.00 -2.77 0.00 0.00 -4.00 0.00 0.00 32.58 25.81 1u3h s HIS 41 CO 0.00 -0.59 0.00 0.41 -1.00 0.00 0.00 174.74 173.56 1u3h n GLY 42 N 2.19 0.00 3.67 -1.38 0.00 -1.25 -4.13 105.19 104.29 1u3h n GLY 42 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1u3h n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u3h s LEU 43 N 0.00 4.16 -0.13 0.99 2.01 -1.26 -2.97 118.68 121.47 1u3h s LEU 43 Ca 0.00 0.55 0.02 0.00 0.01 0.00 0.00 54.13 54.71 1u3h s LEU 43 Cb 0.00 -2.55 -0.00 0.00 0.01 0.00 0.00 46.19 43.65 1u3h s LEU 43 CO 0.00 -0.09 -0.19 -0.13 1.01 0.00 0.00 176.35 176.95 1u3h s ARG 44 N 1.33 3.15 0.30 1.70 0.52 -1.19 -4.96 118.95 119.79 1u3h s ARG 44 Ca 0.20 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.32 1u3h s ARG 44 Cb -0.15 -2.49 -0.10 0.00 0.52 0.00 0.00 34.95 32.74 1u3h s ARG 44 CO 0.08 0.09 1.13 -1.17 0.02 0.00 0.00 175.30 175.45 1u3h s LEU 45 N 0.61 4.50 -0.02 2.53 2.96 -1.26 -2.75 118.68 125.25 1u3h s LEU 45 Ca -0.10 2.33 -0.06 0.00 -0.22 0.00 0.00 54.13 56.08 1u3h s LEU 45 Cb -0.16 -3.68 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 1u3h s LEU 45 CO 0.03 -0.25 -0.12 -0.38 -1.32 0.00 0.00 176.35 174.31 1u3h n ILE 46 N 1.01 1.07 -3.83 6.68 5.41 -0.63 -1.26 119.36 127.82 1u3h n ILE 46 Ca -0.00 0.28 -0.12 0.00 1.00 0.00 0.00 62.75 63.90 1u3h n ILE 46 Cb 0.45 -1.77 -0.12 0.00 -0.71 0.00 0.00 39.64 37.48 1u3h n ILE 46 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1u3h s TYR 47 N -2.10 -0.14 0.09 1.39 1.51 -1.23 -0.40 117.35 116.47 1u3h s TYR 47 Ca -0.10 0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 56.30 1u3h s TYR 47 Cb 0.01 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.87 1u3h s TYR 47 CO 0.15 -0.10 -0.01 1.52 -1.11 0.00 0.00 175.55 176.00 1u3h s TYR 48 N -0.06 0.74 0.11 2.71 -0.85 -0.43 -2.50 117.35 117.08 1u3h s TYR 48 Ca -0.01 -1.08 0.05 0.00 -0.52 0.00 0.00 57.07 55.50 1u3h s TYR 48 Cb -0.02 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 1u3h s TYR 48 CO 0.00 -0.36 -0.12 0.45 -1.52 0.00 0.00 175.55 174.00 1u3h s SER 49 N -3.00 1.75 -0.00 -0.18 0.15 -0.10 0.15 113.70 112.47 1u3h s SER 49 Ca 0.14 -0.81 0.19 0.00 0.70 0.00 0.00 55.95 56.17 1u3h s SER 49 Cb 0.07 -0.03 -0.21 0.00 -1.71 0.00 0.00 66.02 64.13 1u3h s SER 49 CO -0.05 -0.20 0.82 -1.22 1.20 0.00 0.00 173.24 173.79 1u3h n TYR 50 N 0.53 0.00 0.00 3.44 4.01 -1.26 -2.55 117.16 121.33 1u3h n TYR 50 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1u3h n TYR 50 Cb 0.57 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1u3h n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u3h n GLY 51 N 1.46 -0.41 0.33 2.72 0.00 -1.21 -4.38 105.19 103.70 1u3h n GLY 51 Ca 0.04 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1u3h n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3h h ALA 52 N 0.00 -0.91 -0.01 4.61 0.00 -1.90 -3.41 119.26 117.63 1u3h h ALA 52 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1u3h h ALA 52 Cb 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 17.94 1u3h h ALA 52 CO 0.00 -0.85 -0.31 0.41 0.00 0.00 0.00 179.25 178.50 1u3h n GLY 53 N -0.54 1.73 3.84 0.00 0.00 -1.26 -4.51 105.19 104.45 1u3h n GLY 53 Ca -0.10 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1u3h n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u3h s SER 54 N -1.20 6.78 -0.24 1.61 0.15 -1.26 -4.96 113.70 114.58 1u3h s SER 54 Ca 0.08 0.94 -0.12 0.00 0.70 0.00 0.00 55.95 57.56 1u3h s SER 54 Cb 0.35 -2.24 0.09 0.00 -1.71 0.00 0.00 66.02 62.51 1u3h s SER 54 CO -0.10 0.30 0.57 -0.89 1.20 0.00 0.00 173.24 174.31 1u3h s THR 55 N -1.14 -0.33 -0.02 6.45 2.01 -1.26 -4.31 115.64 117.03 1u3h s THR 55 Ca 0.26 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.35 1u3h s THR 55 Cb -0.16 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1u3h s THR 55 CO 0.14 0.02 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.33 1u3h s GLU 56 N 2.02 1.43 0.48 4.92 0.41 0.12 -4.98 118.70 123.10 1u3h s GLU 56 Ca -0.08 -0.55 -0.23 0.00 -0.41 0.00 0.00 54.97 53.70 1u3h s GLU 56 Cb -0.09 -1.32 -0.07 0.00 -1.78 0.00 0.00 34.13 30.88 1u3h s GLU 56 CO -0.17 0.28 1.23 0.15 -0.49 0.00 0.00 175.26 176.26 1u3h s LYS 57 N -0.17 3.57 0.00 1.61 1.02 -1.26 -1.31 119.74 123.20 1u3h s LYS 57 Ca 0.02 1.92 0.00 0.00 0.02 0.00 0.00 55.97 57.93 1u3h s LYS 57 Cb -0.08 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1u3h s LYS 57 CO 0.00 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.10 1u3h n GLY 58 N 0.54 0.57 0.16 -3.33 0.00 0.47 -4.82 105.19 98.77 1u3h n GLY 58 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1u3h n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u3h n ASP 59 N 0.00 2.10 -2.77 1.61 8.00 -0.39 -4.72 116.55 120.39 1u3h n ASP 59 Ca 0.00 0.01 -0.28 0.00 0.71 0.00 0.00 54.79 55.23 1u3h n ASP 59 Cb 0.00 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.63 1u3h n ASP 59 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1u3h n ILE 60 N -3.43 2.89 0.76 0.53 2.08 -0.95 -4.82 119.36 116.42 1u3h n ILE 60 Ca -0.41 -5.30 0.08 0.00 0.56 0.00 0.00 62.75 57.68 1u3h n ILE 60 Cb 0.89 -1.35 0.41 0.00 -0.75 0.00 0.00 39.64 38.84 1u3h n ILE 60 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1u3h n PRO 61 N -0.35 0.22 -1.76 0.38 -0.04 -1.23 -4.74 135.00 127.47 1u3h n PRO 61 Ca 0.35 0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 63.53 1u3h n PRO 61 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1u3h n PRO 61 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1u3h s ASP 62 N -2.60 6.46 0.00 3.54 1.11 -1.26 -2.01 116.67 121.91 1u3h s ASP 62 Ca 0.15 2.70 0.00 0.00 0.18 0.00 0.00 52.55 55.58 1u3h s ASP 62 Cb 0.11 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1u3h s ASP 62 CO 0.25 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.23 1u3h n GLY 63 N 4.18 1.25 3.65 0.21 0.00 -1.26 -5.03 105.19 108.18 1u3h n GLY 63 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1u3h n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u3h s TYR 65 N -2.31 1.93 0.12 1.61 1.51 -0.85 -4.31 117.35 115.05 1u3h s TYR 65 Ca 0.00 -1.01 -0.20 0.00 -1.01 0.00 0.00 57.07 54.85 1u3h s TYR 65 Cb 0.00 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1u3h s TYR 65 CO 0.00 0.09 0.49 0.15 -1.11 0.00 0.00 175.55 175.17 1u3h s LYS 66 N -3.81 1.13 0.11 -0.62 1.02 -1.15 -5.00 119.74 111.42 1u3h s LYS 66 Ca 0.17 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.66 1u3h s LYS 66 Cb 0.03 0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 37.82 1u3h s LYS 66 CO 0.09 -0.46 -0.11 0.00 -0.92 0.00 0.00 175.35 173.96 1u3h s ALA 67 N -3.52 1.25 -0.04 5.17 0.00 -1.26 -2.12 121.76 121.24 1u3h s ALA 67 Ca 0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1u3h s ALA 67 Cb 0.00 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1u3h s ALA 67 CO -0.10 -0.04 0.03 0.45 0.00 0.00 0.00 175.76 176.10 1u3h s SER 68 N -2.64 0.90 -0.60 0.00 0.15 -0.94 -4.98 113.70 105.58 1u3h s SER 68 Ca 0.09 0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.83 1u3h s SER 68 Cb -0.02 -0.20 0.26 0.00 -1.71 0.00 0.00 66.02 64.35 1u3h s SER 68 CO 0.00 -0.19 0.74 -1.14 1.20 0.00 0.00 173.24 173.85 1u3h n ARG 69 N 4.86 2.35 0.16 5.44 0.00 -1.26 -1.53 116.66 126.68 1u3h n ARG 69 Ca -0.12 -4.50 0.11 0.00 -0.00 0.00 0.00 57.85 53.34 1u3h n ARG 69 Cb 0.50 -2.13 0.59 0.00 0.00 0.00 0.00 32.46 31.43 1u3h n ARG 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1u3h n PRO 70 N 0.83 0.15 -3.73 -0.14 -0.04 -1.24 -4.17 135.00 126.67 1u3h n PRO 70 Ca 0.29 0.62 -0.07 0.00 -0.04 0.00 0.00 63.50 64.30 1u3h n PRO 70 Cb 0.43 -1.96 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 1u3h n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1u3h s SER 71 N -4.07 -0.30 0.26 3.54 1.04 -1.25 -5.00 113.70 107.92 1u3h s SER 71 Ca -0.02 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 55.97 1u3h s SER 71 Cb 0.07 0.62 0.54 0.00 0.10 0.00 0.00 66.02 67.34 1u3h s SER 71 CO 0.22 -1.11 1.63 1.56 0.98 0.00 0.00 173.24 176.52 1u3h h GLN 72 N 2.00 0.13 -0.52 4.02 1.08 -1.87 -2.59 115.11 117.36 1u3h h GLN 72 Ca -0.23 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1u3h h GLN 72 Cb 1.25 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1u3h h GLN 72 CO 0.27 0.08 0.00 -0.85 -0.95 0.00 0.00 178.83 177.38 1u3h n GLU 73 N -5.32 2.71 -4.08 1.46 0.00 -1.26 -4.87 120.64 109.28 1u3h n GLU 73 Ca 0.17 -2.32 -0.33 0.00 0.00 0.00 0.00 57.16 54.67 1u3h n GLU 73 Cb 0.55 -1.42 -0.15 0.00 0.00 0.00 0.00 31.44 30.42 1u3h n GLU 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1u3h s ASN 74 N -1.03 3.64 -0.29 -1.84 0.02 -0.98 -2.02 114.94 112.45 1u3h s ASN 74 Ca 0.36 -0.83 -0.04 0.00 -1.02 0.00 0.00 52.86 51.33 1u3h s ASN 74 Cb 0.19 -1.53 0.10 0.00 0.02 0.00 0.00 41.25 40.02 1u3h s ASN 74 CO 0.25 -0.06 0.13 0.12 0.02 0.00 0.00 177.10 177.56 1u3h s PHE 75 N 1.26 0.49 0.18 2.20 5.36 -1.04 -3.59 117.98 122.84 1u3h s PHE 75 Ca 0.01 -0.99 0.01 0.00 -0.96 0.00 0.00 56.93 55.00 1u3h s PHE 75 Cb -0.15 -1.00 -0.04 0.00 -0.34 0.00 0.00 43.02 41.49 1u3h s PHE 75 CO -0.10 -0.84 0.34 -1.54 -1.46 0.00 0.00 175.22 171.62 1u3h s SER 76 N 2.03 6.36 -0.14 6.13 1.04 -0.58 -2.49 113.70 126.04 1u3h s SER 76 Ca 0.09 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.81 1u3h s SER 76 Cb -0.16 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 64.02 1u3h s SER 76 CO -0.35 0.00 -0.22 -0.22 0.98 0.00 0.00 173.24 173.43 1u3h s LEU 77 N -3.33 2.11 -0.13 2.42 2.96 -0.44 -2.22 118.68 120.05 1u3h s LEU 77 Ca 0.36 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1u3h s LEU 77 Cb -0.11 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.15 1u3h s LEU 77 CO 0.29 0.09 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.33 1u3h s THR 78 N 0.78 1.82 -0.40 3.68 2.01 -0.90 -0.58 115.64 122.05 1u3h s THR 78 Ca -0.08 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1u3h s THR 78 Cb -0.16 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 70.77 1u3h s THR 78 CO -0.01 0.50 0.25 -0.76 -0.69 0.00 0.00 174.62 173.91 1u3h s LEU 79 N 0.92 5.00 0.49 4.42 1.02 0.15 -2.92 118.68 127.76 1u3h s LEU 79 Ca -0.06 -1.26 0.32 0.00 0.02 0.00 0.00 54.13 53.15 1u3h s LEU 79 Cb -0.15 -2.02 1.39 0.00 0.02 0.00 0.00 46.19 45.43 1u3h s LEU 79 CO -0.02 -0.48 1.95 -0.33 0.02 0.00 0.00 176.35 177.49 1u3h h GLU 80 N 8.45 0.00 -1.18 1.70 5.08 -1.82 -0.72 114.58 126.09 1u3h h GLU 80 Ca -0.24 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.81 1u3h h GLU 80 Cb 1.09 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.12 1u3h h GLU 80 CO 0.73 0.00 -0.66 0.45 -1.00 0.00 0.00 179.01 178.53 1u3h n SER 81 N -2.87 -2.32 -3.87 1.42 2.88 -1.24 -4.32 113.62 103.29 1u3h n SER 81 Ca 0.00 -2.86 -0.43 0.00 -1.33 0.00 0.00 58.87 54.26 1u3h n SER 81 Cb 0.25 1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 64.71 1u3h n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u3h n ALA 82 N 2.48 -2.70 -2.80 -1.46 0.00 0.17 -4.60 120.51 111.60 1u3h n ALA 82 Ca 0.19 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.88 1u3h n ALA 82 Cb 0.55 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1u3h n ALA 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u3h s THR 83 N -0.82 0.63 0.52 0.00 2.01 -1.26 -1.73 115.64 114.99 1u3h s THR 83 Ca 0.58 -0.92 0.33 0.00 0.31 0.00 0.00 61.69 61.99 1u3h s THR 83 Cb -0.84 -0.64 0.52 0.00 0.01 0.00 0.00 72.50 71.55 1u3h s THR 83 CO 0.49 -0.22 1.80 -0.65 -0.69 0.00 0.00 174.62 175.35 1u3h h PRO 84 N 4.83 0.06 0.00 4.92 0.11 -1.93 0.34 132.00 140.33 1u3h h PRO 84 Ca -0.35 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1u3h h PRO 84 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u3h h PRO 84 CO 0.43 0.04 -0.08 0.66 -0.21 0.00 0.00 178.00 178.84 1u3h h SER 85 N 0.06 0.00 -0.09 -2.05 4.64 -1.98 -3.22 113.55 110.91 1u3h h SER 85 Ca 0.56 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.86 1u3h h SER 85 Cb 2.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.19 1u3h h SER 85 CO -0.06 0.08 0.03 0.00 -0.87 0.00 0.00 176.83 176.01 1u3h n GLN 86 N -3.13 1.37 -3.34 4.77 6.02 0.12 -4.82 117.38 118.37 1u3h n GLN 86 Ca 0.03 -0.38 -0.46 0.00 -0.01 0.00 0.00 57.00 56.18 1u3h n GLN 86 Cb 0.53 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 1u3h n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u3h s THR 87 N -0.94 5.21 -0.26 5.09 2.01 -1.22 -4.90 115.64 120.64 1u3h s THR 87 Ca 0.07 -1.83 -0.35 0.00 0.31 0.00 0.00 61.69 59.89 1u3h s THR 87 Cb 0.05 -4.31 0.16 0.00 0.01 0.00 0.00 72.50 68.41 1u3h s THR 87 CO 0.02 -0.91 1.32 -0.94 -0.69 0.00 0.00 174.62 173.42 1u3h s SER 88 N 3.06 -0.06 0.08 3.53 1.04 -1.15 -4.95 113.70 115.24 1u3h s SER 88 Ca 0.08 0.02 -0.32 0.00 0.48 0.00 0.00 55.95 56.21 1u3h s SER 88 Cb -0.24 0.06 -0.11 0.00 0.10 0.00 0.00 66.02 65.83 1u3h s SER 88 CO -0.01 -0.09 1.83 0.52 0.98 0.00 0.00 173.24 176.48 1u3h n VAL 89 N 0.12 0.42 -3.92 5.02 0.31 -1.25 -4.28 118.33 114.75 1u3h n VAL 89 Ca 0.02 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.93 1u3h n VAL 89 Cb 0.57 -2.03 -0.09 0.00 -0.91 0.00 0.00 33.84 31.38 1u3h n VAL 89 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1u3h s TYR 90 N 3.01 3.33 0.02 3.52 1.51 0.29 -1.12 117.35 127.90 1u3h s TYR 90 Ca 0.85 0.21 0.04 0.00 -1.01 0.00 0.00 57.07 57.15 1u3h s TYR 90 Cb -0.54 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.20 1u3h s TYR 90 CO 0.41 0.27 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.99 1u3h s PHE 91 N 0.18 2.87 0.18 2.71 0.08 -1.04 -2.30 117.98 120.66 1u3h s PHE 91 Ca 0.06 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.11 1u3h s PHE 91 Cb -0.12 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1u3h s PHE 91 CO -0.00 0.38 0.09 0.00 -0.10 0.00 0.00 175.22 175.59 1u3h s ALA 93 N -1.79 -1.05 0.05 0.00 0.00 -1.21 -0.14 121.76 117.62 1u3h s ALA 93 Ca 0.30 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1u3h s ALA 93 Cb -0.10 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1u3h s ALA 93 CO 0.22 -0.48 -0.06 -1.54 0.00 0.00 0.00 175.76 173.90 1u3h s SER 94 N -2.05 0.76 0.18 0.00 1.04 -0.77 0.17 113.70 113.02 1u3h s SER 94 Ca -0.05 -0.66 -0.23 0.00 0.48 0.00 0.00 55.95 55.49 1u3h s SER 94 Cb -0.01 0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.26 1u3h s SER 94 CO -0.03 -0.30 1.01 -0.83 0.98 0.00 0.00 173.24 174.07 1u3h s GLY 95 N -1.92 -0.02 0.36 7.32 0.00 -0.21 -0.80 107.32 112.05 1u3h s GLY 95 Ca -0.06 -0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 1u3h s GLY 95 CO -0.02 1.34 1.02 -0.35 0.00 0.00 0.00 173.10 175.09 1u3h s ASP 96 N -3.21 6.99 -0.70 1.64 2.15 -1.26 -2.31 116.67 119.96 1u3h s ASP 96 Ca 0.18 2.01 -0.16 0.00 0.43 0.00 0.00 52.55 55.01 1u3h s ASP 96 Cb -0.02 -2.59 -0.17 0.00 -0.30 0.00 0.00 42.92 39.84 1u3h s ASP 96 CO 0.04 -0.33 1.87 0.00 -0.17 0.00 0.00 175.17 176.59 1u3h n ALA 97 N 0.26 0.48 -1.00 3.66 0.00 -1.26 -3.99 120.51 118.66 1u3h n ALA 97 Ca 0.03 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1u3h n ALA 97 Cb 0.49 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1u3h n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3h n GLY 98 N 5.70 -1.87 0.00 0.00 0.00 -1.26 -5.01 105.19 102.75 1u3h n GLY 98 Ca 0.36 0.67 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1u3h n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3h n GLY 99 N -0.33 1.27 1.38 -0.02 0.00 -1.26 -4.90 105.19 101.34 1u3h n GLY 99 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1u3h n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3h n GLY 100 N 0.00 2.35 3.58 -0.02 0.00 -1.26 -4.88 105.19 104.97 1u3h n GLY 100 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 1u3h n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u3h s TYR 104 N -2.08 2.67 0.33 1.61 2.02 -1.26 -5.10 117.35 115.54 1u3h s TYR 104 Ca 0.37 -0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.58 1u3h s TYR 104 Cb 0.27 -1.31 -0.11 0.00 -0.40 0.00 0.00 41.96 40.42 1u3h s TYR 104 CO 0.13 0.51 1.42 -2.00 -1.57 0.00 0.00 175.55 174.04 1u3h s GLU 105 N -2.81 4.23 -0.08 -0.62 2.12 -1.26 -4.88 118.70 115.40 1u3h s GLU 105 Ca 0.25 2.40 -0.01 0.00 0.36 0.00 0.00 54.97 57.96 1u3h s GLU 105 Cb -0.09 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 1u3h s GLU 105 CO 0.16 -0.40 0.00 -0.65 -0.54 0.00 0.00 175.26 173.83 1u3h s GLN 106 N -1.55 2.96 -0.36 4.30 -0.21 -1.26 -4.47 119.66 119.06 1u3h s GLN 106 Ca 0.53 -0.43 -0.09 0.00 0.02 0.00 0.00 55.36 55.40 1u3h s GLN 106 Cb -0.43 -2.78 0.04 0.00 1.00 0.00 0.00 33.01 30.84 1u3h s GLN 106 CO 0.55 0.70 0.17 0.71 -2.12 0.00 0.00 175.29 175.29 1u3h s TYR 107 N -0.91 3.26 0.55 0.91 2.02 0.02 -4.95 117.35 118.26 1u3h s TYR 107 Ca 0.14 -1.24 -0.11 0.00 -0.37 0.00 0.00 57.07 55.49 1u3h s TYR 107 Cb -0.11 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 1u3h s TYR 107 CO 0.03 -0.71 0.96 -0.06 -1.57 0.00 0.00 175.55 174.20 1u3h s PHE 108 N 1.47 3.56 0.72 2.71 0.08 -1.26 -1.84 117.98 123.41 1u3h s PHE 108 Ca 0.00 1.24 -0.01 0.00 0.12 0.00 0.00 56.93 58.28 1u3h s PHE 108 Cb -0.20 -2.65 0.12 0.00 -0.57 0.00 0.00 43.02 39.73 1u3h s PHE 108 CO 0.04 -0.49 0.99 0.20 -0.10 0.00 0.00 175.22 175.87 1u3h s GLY 109 N -3.79 1.76 0.11 4.36 0.00 0.81 -4.51 107.32 106.05 1u3h s GLY 109 Ca 0.54 -1.70 -0.27 0.00 0.00 0.00 0.00 44.72 43.30 1u3h s GLY 109 CO 0.45 -1.14 1.65 -0.56 0.00 0.00 0.00 173.10 173.49 1u3h h PRO 110 N -0.52 -0.42 0.00 2.90 0.13 -1.91 -3.44 132.00 128.73 1u3h h PRO 110 Ca -0.37 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1u3h h PRO 110 Cb 1.27 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1u3h h PRO 110 CO 0.41 -0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.31 1u3h n GLY 111 N -1.36 0.89 3.27 1.56 0.00 -1.26 -5.05 105.19 103.25 1u3h n GLY 111 Ca -0.07 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.16 1u3h n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u3h s THR 112 N -1.25 -0.86 -0.26 2.61 2.01 -0.97 -4.68 115.64 112.24 1u3h s THR 112 Ca 0.00 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1u3h s THR 112 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1u3h s THR 112 CO 0.00 0.00 0.37 -0.60 -0.69 0.00 0.00 174.62 173.70 1u3h s ARG 113 N 2.85 4.03 -0.04 4.92 3.52 -1.12 -0.55 118.95 132.57 1u3h s ARG 113 Ca 0.10 0.05 0.07 0.00 -0.13 0.00 0.00 55.73 55.82 1u3h s ARG 113 Cb -0.13 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 1u3h s ARG 113 CO -0.19 -0.25 -0.25 -1.17 -0.81 0.00 0.00 175.30 172.63 1u3h s LEU 114 N 1.98 2.05 -0.07 -0.88 2.96 -1.25 -1.48 118.68 121.99 1u3h s LEU 114 Ca 0.15 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1u3h s LEU 114 Cb -0.16 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.23 1u3h s LEU 114 CO 0.10 0.28 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.50 1u3h s THR 115 N -0.39 0.45 -0.17 3.68 2.01 -0.85 -2.94 115.64 117.44 1u3h s THR 115 Ca 0.03 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1u3h s THR 115 Cb -0.12 -0.57 -0.22 0.00 0.01 0.00 0.00 72.50 71.60 1u3h s THR 115 CO 0.01 0.26 0.15 1.33 -0.69 0.00 0.00 174.62 175.69 1u3h n VAL 116 N 4.91 1.59 -0.71 3.82 0.24 -1.25 -0.97 118.33 125.96 1u3h n VAL 116 Ca -0.11 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1u3h n VAL 116 Cb 0.50 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 1u3h n VAL 116 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87