#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uy3 n PRO 15 N 0.00 2.48 0.23 1.43 -0.02 -1.26 -4.89 135.00 132.96 1uy3 n PRO 15 Ca 0.00 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.46 1uy3 n PRO 15 Cb 0.00 -2.58 0.46 0.00 -0.02 0.00 0.00 33.50 31.36 1uy3 n PRO 15 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1uy3 h ILE 16 N 2.76 0.48 -3.34 4.25 6.09 -1.98 -3.44 117.51 122.34 1uy3 h ILE 16 Ca -0.50 -1.09 -0.05 0.00 -1.37 0.00 0.00 64.86 61.86 1uy3 h ILE 16 Cb 1.26 1.77 -0.13 0.00 0.47 0.00 0.00 36.82 40.19 1uy3 h ILE 16 CO 0.63 0.20 -0.04 0.00 -3.07 0.00 0.00 178.15 175.87 1uy3 s ARG 17 N -3.61 1.09 0.11 2.19 1.70 -1.26 -4.20 118.95 114.98 1uy3 s ARG 17 Ca 0.01 -0.67 -0.19 0.00 -0.47 0.00 0.00 55.73 54.41 1uy3 s ARG 17 Cb 0.10 0.48 0.05 0.00 -0.57 0.00 0.00 34.95 35.01 1uy3 s ARG 17 CO 0.63 -0.43 0.47 1.03 -1.08 0.00 0.00 175.30 175.91 1uy3 s ARG 18 N -3.76 1.10 -0.01 3.89 0.52 -0.82 -5.02 118.95 114.85 1uy3 s ARG 18 Ca 0.02 -0.55 -0.22 0.00 -0.52 0.00 0.00 55.73 54.46 1uy3 s ARG 18 Cb 0.01 0.49 -0.05 0.00 0.52 0.00 0.00 34.95 35.93 1uy3 s ARG 18 CO -0.12 -0.44 0.67 0.34 0.02 0.00 0.00 175.30 175.77 1uy3 s ASP 19 N -2.60 7.04 0.54 0.23 -1.08 -1.26 -0.50 116.67 119.03 1uy3 s ASP 19 Ca 0.01 1.25 0.29 0.00 -0.52 0.00 0.00 52.55 53.57 1uy3 s ASP 19 Cb 0.01 -2.40 1.52 0.00 -1.46 0.00 0.00 42.92 40.58 1uy3 s ASP 19 CO -0.10 0.03 2.09 0.00 0.52 0.00 0.00 175.17 177.70 1uy3 h ALA 20 N 5.92 1.24 -0.78 3.66 0.00 -1.57 -3.22 119.26 124.51 1uy3 h ALA 20 Ca -0.44 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 1uy3 h ALA 20 Cb 1.20 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 1uy3 h ALA 20 CO 0.71 0.12 0.04 1.19 0.00 0.00 0.00 179.25 181.32 1uy3 n PHE 21 N -3.55 2.63 -3.92 0.00 3.72 -1.26 -1.44 117.46 113.64 1uy3 n PHE 21 Ca -0.02 -2.39 -0.09 0.00 -0.05 0.00 0.00 57.45 54.90 1uy3 n PHE 21 Cb 0.23 -0.82 -0.09 0.00 -0.94 0.00 0.00 39.48 37.86 1uy3 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uy3 s SER 22 N -2.61 0.17 0.26 4.37 0.15 -1.22 -5.02 113.70 109.80 1uy3 s SER 22 Ca 0.55 -0.57 -0.31 0.00 0.70 0.00 0.00 55.95 56.33 1uy3 s SER 22 Cb 0.45 0.26 -0.12 0.00 -1.71 0.00 0.00 66.02 64.90 1uy3 s SER 22 CO 0.02 -0.56 1.61 -0.38 1.20 0.00 0.00 173.24 175.12 1uy3 n ILE 23 N 0.54 0.67 -4.23 6.45 2.08 -1.26 -4.77 119.36 118.84 1uy3 n ILE 23 Ca -0.18 -0.17 -0.34 0.00 0.56 0.00 0.00 62.75 62.62 1uy3 n ILE 23 Cb 0.59 -1.89 -0.13 0.00 -0.75 0.00 0.00 39.64 37.46 1uy3 n ILE 23 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1uy3 s ILE 24 N 0.37 3.59 -0.09 1.39 1.01 0.22 -5.00 121.20 122.69 1uy3 s ILE 24 Ca 0.68 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 60.62 1uy3 s ILE 24 Cb -0.53 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1uy3 s ILE 24 CO 0.44 0.46 0.88 -1.61 0.00 0.00 0.00 174.94 175.11 1uy3 s GLU 25 N 0.87 4.43 0.32 2.79 0.41 -1.26 -1.36 118.70 124.90 1uy3 s GLU 25 Ca -0.01 1.18 0.02 0.00 -0.41 0.00 0.00 54.97 55.76 1uy3 s GLU 25 Cb -0.15 -3.51 0.54 0.00 -1.78 0.00 0.00 34.13 29.23 1uy3 s GLU 25 CO 0.01 -0.16 1.86 0.00 -0.49 0.00 0.00 175.26 176.48 1uy3 h ALA 26 N 7.01 1.33 0.00 5.21 0.00 -1.60 -1.72 119.26 129.48 1uy3 h ALA 26 Ca -0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1uy3 h ALA 26 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1uy3 h ALA 26 CO 0.80 0.47 0.00 -0.85 0.00 0.00 0.00 179.25 179.67 1uy3 n GLU 27 N -4.29 0.13 -2.24 0.00 0.00 -1.26 -3.28 120.64 109.70 1uy3 n GLU 27 Ca 0.02 0.40 -0.40 0.00 0.00 0.00 0.00 57.16 57.19 1uy3 n GLU 27 Cb 0.23 -1.76 0.03 0.00 0.00 0.00 0.00 31.44 29.94 1uy3 n GLU 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1uy3 n GLU 28 N -2.00 4.08 -2.47 3.44 1.02 -0.65 -5.00 120.64 119.07 1uy3 n GLU 28 Ca 0.02 -4.01 -0.27 0.00 -0.02 0.00 0.00 57.16 52.87 1uy3 n GLU 28 Cb 0.18 -2.37 0.01 0.00 -0.02 0.00 0.00 31.44 29.24 1uy3 n GLU 28 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1uy3 s TYR 29 N -4.00 3.44 -0.19 -0.32 -0.85 -1.20 -4.63 117.35 109.60 1uy3 s TYR 29 Ca 0.46 0.79 0.13 0.00 -0.52 0.00 0.00 57.07 57.93 1uy3 s TYR 29 Cb 0.31 -2.52 -0.23 0.00 0.38 0.00 0.00 41.96 39.90 1uy3 s TYR 29 CO -0.26 -0.54 0.11 0.09 -1.52 0.00 0.00 175.55 173.43 1uy3 n ASN 30 N -2.44 0.60 -3.54 -0.18 4.13 0.89 -4.66 115.26 110.06 1uy3 n ASN 30 Ca 0.03 0.04 -0.11 0.00 1.68 0.00 0.00 54.58 56.22 1uy3 n ASN 30 Cb 0.56 0.50 -0.02 0.00 -1.54 0.00 0.00 39.78 39.27 1uy3 n ASN 30 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1uy3 s SER 31 N -5.84 -0.46 0.01 6.41 1.04 -1.10 -5.01 113.70 108.75 1uy3 s SER 31 Ca -0.15 -0.17 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 1uy3 s SER 31 Cb 0.07 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.83 1uy3 s SER 31 CO 0.78 -1.02 0.42 0.28 0.98 0.00 0.00 173.24 174.67 1uy3 s THR 32 N -3.79 0.05 -1.48 2.02 -1.32 -1.26 -0.92 115.64 108.94 1uy3 s THR 32 Ca 0.04 -0.41 0.29 0.00 -1.21 0.00 0.00 61.69 60.40 1uy3 s THR 32 Cb -0.01 -0.86 0.41 0.00 -1.51 0.00 0.00 72.50 70.53 1uy3 s THR 32 CO -0.09 -0.22 1.88 -0.46 -2.21 0.00 0.00 174.62 173.52 1uy3 n ASN 33 N 0.80 0.31 -4.76 8.08 6.94 -1.10 -4.96 115.26 120.56 1uy3 n ASN 33 Ca -0.19 -0.33 -0.39 0.00 -0.02 0.00 0.00 54.58 53.64 1uy3 n ASN 33 Cb 0.58 -0.14 -0.05 0.00 -2.36 0.00 0.00 39.78 37.81 1uy3 n ASN 33 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1uy3 s SER 34 N -2.59 7.24 0.00 0.53 0.15 -1.26 -4.94 113.70 112.82 1uy3 s SER 34 Ca 0.26 2.12 0.17 0.00 0.70 0.00 0.00 55.95 59.19 1uy3 s SER 34 Cb 0.20 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 1uy3 s SER 34 CO 0.49 -0.15 0.95 -1.20 1.20 0.00 0.00 173.24 174.53 1uy3 n SER 35 N 0.91 2.01 -0.01 5.45 7.64 -1.26 -4.65 113.62 123.70 1uy3 n SER 35 Ca 0.00 -1.50 -0.01 0.00 1.01 0.00 0.00 58.87 58.37 1uy3 n SER 35 Cb 0.47 0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 1uy3 n SER 35 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1uy3 n THR 36 N 0.36 0.17 -1.65 0.44 -2.24 -1.26 -5.06 114.28 105.04 1uy3 n THR 36 Ca 0.08 -0.12 -0.46 0.00 -2.27 0.00 0.00 64.05 61.28 1uy3 n THR 36 Cb 0.39 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 1uy3 n THR 36 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1uy3 n LEU 37 N -2.00 2.70 -4.33 3.22 0.00 -1.13 -4.73 117.00 110.72 1uy3 n LEU 37 Ca -0.04 1.12 -0.22 0.00 0.00 0.00 0.00 56.01 56.87 1uy3 n LEU 37 Cb 0.48 -1.37 -0.11 0.00 0.00 0.00 0.00 43.42 42.42 1uy3 n LEU 37 CO 0.07 -0.63 -0.49 -1.10 0.00 0.00 0.00 177.39 175.24 1uy3 s GLN 38 N 0.02 1.25 -0.15 1.96 -0.21 -0.54 -4.99 119.66 117.00 1uy3 s GLN 38 Ca 0.73 -1.36 -0.29 0.00 0.02 0.00 0.00 55.36 54.46 1uy3 s GLN 38 Cb -0.72 -1.37 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 1uy3 s GLN 38 CO 0.47 0.29 1.07 0.08 -2.12 0.00 0.00 175.29 175.08 1uy3 s VAL 39 N -1.84 4.62 0.29 1.09 1.01 -1.26 -1.33 120.40 122.97 1uy3 s VAL 39 Ca 0.14 1.92 0.09 0.00 0.00 0.00 0.00 61.98 64.13 1uy3 s VAL 39 Cb -0.07 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1uy3 s VAL 39 CO 0.06 -0.08 0.06 0.27 0.00 0.00 0.00 175.10 175.41 1uy3 s ILE 40 N 2.66 3.37 0.46 2.22 -4.36 -0.18 -4.93 121.20 120.43 1uy3 s ILE 40 Ca 0.48 -1.81 -0.01 0.00 -0.26 0.00 0.00 60.65 59.05 1uy3 s ILE 40 Cb -0.18 -2.93 -0.01 0.00 1.25 0.00 0.00 42.46 40.59 1uy3 s ILE 40 CO 0.14 -0.31 0.70 -0.83 0.24 0.00 0.00 174.94 174.88 1uy3 s GLY 41 N -3.74 1.53 0.33 6.27 0.00 -1.26 -1.04 107.32 109.40 1uy3 s GLY 41 Ca 0.34 -0.90 0.10 0.00 0.00 0.00 0.00 44.72 44.25 1uy3 s GLY 41 CO 0.21 -0.73 -0.10 -0.51 0.00 0.00 0.00 173.10 171.96 1uy3 s THR 42 N -2.61 2.21 0.53 0.90 -4.23 -0.71 -4.79 115.64 106.94 1uy3 s THR 42 Ca 0.48 -2.22 0.27 0.00 -1.18 0.00 0.00 61.69 59.04 1uy3 s THR 42 Cb -0.10 -2.58 0.43 0.00 1.34 0.00 0.00 72.50 71.59 1uy3 s THR 42 CO 0.40 -0.24 1.94 -0.65 -0.54 0.00 0.00 174.62 175.53 1uy3 h PRO 43 N 2.08 0.03 -0.82 3.99 0.11 -1.90 -1.02 132.00 134.48 1uy3 h PRO 43 Ca -0.42 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.38 1uy3 h PRO 43 Cb 1.25 -0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.17 1uy3 h PRO 43 CO 0.69 0.02 0.39 0.09 -0.21 0.00 0.00 178.00 178.98 1uy3 n ASN 44 N -4.34 4.49 -2.06 -2.05 3.02 -1.26 -4.91 115.26 108.15 1uy3 n ASN 44 Ca 0.14 -3.35 -0.17 0.00 -0.03 0.00 0.00 54.58 51.17 1uy3 n ASN 44 Cb 0.76 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1uy3 n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uy3 n ASN 45 N -0.47 -5.02 -1.80 6.41 3.02 -0.38 -5.03 115.26 111.99 1uy3 n ASN 45 Ca 0.47 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1uy3 n ASN 45 Cb 1.48 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 1uy3 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uy3 n GLY 46 N -1.12 0.89 3.26 7.41 0.00 -1.25 -4.86 105.19 109.52 1uy3 n GLY 46 Ca -0.17 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 1uy3 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uy3 s ARG 47 N -1.44 1.18 0.00 1.61 0.52 -1.26 -1.73 118.95 117.82 1uy3 s ARG 47 Ca 0.00 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.63 1uy3 s ARG 47 Cb 0.00 -0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.17 1uy3 s ARG 47 CO 0.00 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1uy3 n GLY 48 N -0.29 2.56 3.42 -3.53 0.00 -0.20 -4.63 105.19 102.51 1uy3 n GLY 48 Ca -0.05 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1uy3 n GLY 48 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uy3 s ILE 49 N -2.90 2.63 0.00 -0.61 -4.36 0.09 -1.01 121.20 115.04 1uy3 s ILE 49 Ca 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 1uy3 s ILE 49 Cb 0.00 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.68 1uy3 s ILE 49 CO 0.00 0.49 0.00 0.61 0.24 0.00 0.00 174.94 176.28 1uy3 n GLY 50 N 2.05 3.76 3.90 6.27 0.00 -0.44 -1.16 105.19 119.58 1uy3 n GLY 50 Ca -0.16 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 1uy3 n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uy3 n TYR 51 N 0.00 -2.01 -3.66 1.61 4.02 -1.26 -1.47 117.16 114.39 1uy3 n TYR 51 Ca 0.00 0.85 -0.36 0.00 -0.01 0.00 0.00 57.90 58.37 1uy3 n TYR 51 Cb 0.00 -3.92 -0.06 0.00 -0.02 0.00 0.00 39.34 35.34 1uy3 n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uy3 s ILE 52 N -3.52 5.21 0.30 -0.72 1.01 -1.26 -2.86 121.20 119.36 1uy3 s ILE 52 Ca 0.37 0.48 0.10 0.00 0.00 0.00 0.00 60.65 61.61 1uy3 s ILE 52 Cb -0.19 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 1uy3 s ILE 52 CO 0.85 0.49 -0.14 -1.61 0.00 0.00 0.00 174.94 174.53 1uy3 s GLU 53 N -1.36 1.68 0.09 2.79 2.02 -1.26 -3.50 118.70 119.16 1uy3 s GLU 53 Ca 0.24 -1.82 -0.36 0.00 0.02 0.00 0.00 54.97 53.05 1uy3 s GLU 53 Cb -0.14 -1.62 -0.17 0.00 0.10 0.00 0.00 34.13 32.30 1uy3 s GLU 53 CO 0.13 0.21 1.32 -1.71 0.02 0.00 0.00 175.26 175.23 1uy3 n ASN 54 N -0.66 1.59 0.00 -0.19 5.15 -1.26 -1.01 115.26 118.88 1uy3 n ASN 54 Ca -0.05 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 1uy3 n ASN 54 Cb 0.62 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 1uy3 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uy3 n GLY 55 N 2.47 1.43 3.77 8.20 0.00 0.34 -4.92 105.19 116.47 1uy3 n GLY 55 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1uy3 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uy3 s ASN 56 N -3.08 6.69 0.11 1.61 0.02 -0.18 -4.83 114.94 115.28 1uy3 s ASN 56 Ca 0.00 2.60 0.11 0.00 -1.02 0.00 0.00 52.86 54.55 1uy3 s ASN 56 Cb 0.00 -2.64 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 1uy3 s ASN 56 CO 0.00 -0.58 -0.27 0.42 0.02 0.00 0.00 177.10 176.69 1uy3 s THR 57 N -1.20 2.25 -0.03 1.60 -4.23 -1.26 -1.16 115.64 111.61 1uy3 s THR 57 Ca 0.51 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1uy3 s THR 57 Cb -0.38 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.53 1uy3 s THR 57 CO 0.49 0.16 0.03 -0.69 -0.54 0.00 0.00 174.62 174.07 1uy3 s VAL 58 N -1.00 -0.01 -0.04 2.29 1.01 -0.09 -2.71 120.40 119.85 1uy3 s VAL 58 Ca 0.14 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1uy3 s VAL 58 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1uy3 s VAL 58 CO 0.05 0.14 -0.09 -0.89 0.00 0.00 0.00 175.10 174.31 1uy3 s THR 59 N 1.46 3.49 -0.12 3.92 2.01 -0.10 -0.69 115.64 125.62 1uy3 s THR 59 Ca -0.04 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1uy3 s THR 59 Cb -0.13 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1uy3 s THR 59 CO -0.03 0.52 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.01 1uy3 s TYR 60 N -0.85 1.73 0.21 4.92 1.51 0.86 -0.08 117.35 125.65 1uy3 s TYR 60 Ca 0.14 -0.89 -0.24 0.00 -1.01 0.00 0.00 57.07 55.07 1uy3 s TYR 60 Cb -0.11 -1.35 -0.08 0.00 -0.11 0.00 0.00 41.96 40.31 1uy3 s TYR 60 CO 0.03 -0.54 0.79 -1.12 -1.11 0.00 0.00 175.55 173.60 1uy3 s SER 61 N 1.51 7.28 -1.19 2.29 0.01 -1.26 -0.85 113.70 121.49 1uy3 s SER 61 Ca 0.03 1.61 -0.09 0.00 1.31 0.00 0.00 55.95 58.81 1uy3 s SER 61 Cb -0.13 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1uy3 s SER 61 CO -0.08 0.11 0.78 0.59 0.41 0.00 0.00 173.24 175.05 1uy3 n ASN 62 N 1.16 -3.83 -4.70 2.44 3.02 -1.25 -4.17 115.26 107.94 1uy3 n ASN 62 Ca -0.03 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 1uy3 n ASN 62 Cb 0.50 -4.06 -0.04 0.00 -0.61 0.00 0.00 39.78 35.57 1uy3 n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1uy3 s ILE 63 N -3.54 4.91 -0.47 2.41 -1.09 0.10 -1.95 121.20 121.58 1uy3 s ILE 63 Ca 0.27 1.74 -0.18 0.00 -2.23 0.00 0.00 60.65 60.25 1uy3 s ILE 63 Cb -0.07 -4.18 0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1uy3 s ILE 63 CO 0.81 0.12 0.55 -0.62 -1.23 0.00 0.00 174.94 174.57 1uy3 s ASP 64 N 1.01 6.22 0.00 3.58 -1.08 0.34 -0.96 116.67 125.78 1uy3 s ASP 64 Ca 0.43 -0.79 0.28 0.00 -0.52 0.00 0.00 52.55 51.95 1uy3 s ASP 64 Cb -0.18 -2.26 1.09 0.00 -1.46 0.00 0.00 42.92 40.10 1uy3 s ASP 64 CO 0.19 -0.76 1.77 0.49 0.52 0.00 0.00 175.17 177.38 1uy3 n PHE 65 N 5.92 0.00 0.00 -5.34 3.01 0.24 -1.38 117.46 119.90 1uy3 n PHE 65 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1uy3 n PHE 65 Cb 0.46 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1uy3 n PHE 65 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uy3 n GLY 66 N 1.22 3.07 0.29 1.37 0.00 -1.25 -1.19 105.19 108.69 1uy3 n GLY 66 Ca 0.17 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1uy3 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uy3 n SER 67 N 2.96 0.88 0.00 1.61 3.41 -1.26 -1.49 113.62 119.74 1uy3 n SER 67 Ca 0.00 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1uy3 n SER 67 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1uy3 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy3 n GLY 68 N 1.05 4.83 3.20 5.00 0.00 -0.34 -4.86 105.19 114.08 1uy3 n GLY 68 Ca 0.19 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1uy3 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uy3 s ALA 69 N -0.97 1.77 0.00 4.61 0.00 -0.64 -2.07 121.76 124.46 1uy3 s ALA 69 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1uy3 s ALA 69 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1uy3 s ALA 69 CO 0.00 0.37 0.68 0.25 0.00 0.00 0.00 175.76 177.06 1uy3 n THR 70 N 2.86 0.46 -4.02 0.00 -2.24 -0.25 -2.35 114.28 108.73 1uy3 n THR 70 Ca -0.17 -0.62 -0.08 0.00 -2.27 0.00 0.00 64.05 60.92 1uy3 n THR 70 Cb 0.53 0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 1uy3 n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uy3 s GLY 71 N -0.46 0.35 -0.03 3.38 0.00 -1.09 -1.13 107.32 108.34 1uy3 s GLY 71 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1uy3 s GLY 71 CO 0.00 -1.06 -0.03 -0.12 0.00 0.00 0.00 173.10 171.89 1uy3 s PHE 72 N -3.31 0.51 -0.04 1.90 5.36 -0.51 -1.02 117.98 120.87 1uy3 s PHE 72 Ca 0.01 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.92 1uy3 s PHE 72 Cb 0.03 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.26 1uy3 s PHE 72 CO -0.08 -0.11 -0.13 -1.12 -1.46 0.00 0.00 175.22 172.32 1uy3 s SER 73 N 0.58 1.73 0.07 6.13 0.01 -0.36 -0.44 113.70 121.41 1uy3 s SER 73 Ca -0.07 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 56.95 1uy3 s SER 73 Cb -0.10 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 1uy3 s SER 73 CO -0.00 0.10 -0.12 0.00 0.41 0.00 0.00 173.24 173.63 1uy3 s ALA 74 N 0.22 1.01 -0.34 1.44 0.00 -0.03 -1.09 121.76 122.97 1uy3 s ALA 74 Ca -0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1uy3 s ALA 74 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1uy3 s ALA 74 CO 0.02 0.07 0.20 0.99 0.00 0.00 0.00 175.76 177.04 1uy3 s THR 75 N -1.55 4.80 0.07 0.00 2.01 -0.35 -0.85 115.64 119.77 1uy3 s THR 75 Ca -0.02 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1uy3 s THR 75 Cb -0.08 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1uy3 s THR 75 CO 0.01 -0.07 -0.06 0.68 -0.69 0.00 0.00 174.62 174.49 1uy3 s VAL 76 N 1.63 0.52 -0.01 3.82 -7.23 -0.54 -0.78 120.40 117.80 1uy3 s VAL 76 Ca 0.04 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1uy3 s VAL 76 Cb -0.18 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.53 1uy3 s VAL 76 CO 0.08 -0.73 -0.01 0.00 -0.31 0.00 0.00 175.10 174.13 1uy3 s ALA 77 N -2.88 0.17 0.09 1.32 0.00 -0.15 -0.66 121.76 119.65 1uy3 s ALA 77 Ca 0.03 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 1uy3 s ALA 77 Cb 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.08 1uy3 s ALA 77 CO -0.04 0.00 0.66 -0.08 0.00 0.00 0.00 175.76 176.30 1uy3 s THR 78 N 0.29 0.00 -2.33 0.00 -1.32 -1.22 -0.47 115.64 110.58 1uy3 s THR 78 Ca -0.03 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.65 1uy3 s THR 78 Cb -0.05 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.06 1uy3 s THR 78 CO -0.01 0.00 1.09 -0.62 -2.21 0.00 0.00 174.62 172.88 1uy3 n GLU 79 N -0.04 1.72 -4.41 7.08 1.02 -1.26 -0.53 120.64 124.21 1uy3 n GLU 79 Ca -0.16 -1.51 -0.21 0.00 -0.02 0.00 0.00 57.16 55.26 1uy3 n GLU 79 Cb 0.63 -1.38 -0.13 0.00 -0.02 0.00 0.00 31.44 30.53 1uy3 n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uy3 s VAL 80 N -1.80 1.17 0.11 2.62 1.01 -1.26 -4.76 120.40 117.49 1uy3 s VAL 80 Ca 0.22 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1uy3 s VAL 80 Cb 0.16 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1uy3 s VAL 80 CO 0.31 0.05 1.49 0.20 0.00 0.00 0.00 175.10 177.15 1uy3 s ASN 81 N -1.08 6.72 0.21 3.32 0.01 -1.26 -4.23 114.94 118.62 1uy3 s ASN 81 Ca 0.02 2.41 -0.11 0.00 -0.71 0.00 0.00 52.86 54.48 1uy3 s ASN 81 Cb -0.08 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 1uy3 s ASN 81 CO 0.01 -0.75 0.38 0.28 -1.51 0.00 0.00 177.10 175.51 1uy3 s THR 82 N 1.57 0.03 0.07 1.60 -1.32 0.43 -4.99 115.64 113.03 1uy3 s THR 82 Ca 0.68 -1.38 0.02 0.00 -1.21 0.00 0.00 61.69 59.80 1uy3 s THR 82 Cb -0.39 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 1uy3 s THR 82 CO 0.30 -0.12 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.57 1uy3 s SER 83 N -2.99 1.05 -0.15 8.08 1.04 -1.26 0.06 113.70 119.52 1uy3 s SER 83 Ca 0.20 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 1uy3 s SER 83 Cb 0.01 0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.23 1uy3 s SER 83 CO 0.05 -0.31 -0.02 -0.63 0.98 0.00 0.00 173.24 173.30 1uy3 s ILE 84 N -2.38 0.86 0.32 -1.02 1.01 0.10 -2.13 121.20 117.96 1uy3 s ILE 84 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 60.65 59.90 1uy3 s ILE 84 Cb -0.03 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.25 1uy3 s ILE 84 CO -0.02 0.09 1.07 -1.10 0.00 0.00 0.00 174.94 174.98 1uy3 s GLN 85 N 1.74 4.48 -0.26 2.79 -0.21 -0.17 -0.33 119.66 127.69 1uy3 s GLN 85 Ca 0.01 1.68 -0.02 0.00 0.02 0.00 0.00 55.36 57.05 1uy3 s GLN 85 Cb -0.15 -2.96 0.02 0.00 1.00 0.00 0.00 33.01 30.93 1uy3 s GLN 85 CO -0.07 0.10 -0.04 0.42 -2.12 0.00 0.00 175.29 173.58 1uy3 s ILE 86 N -1.34 3.06 0.09 1.08 1.09 0.28 -1.34 121.20 124.11 1uy3 s ILE 86 Ca 0.49 -0.98 0.09 0.00 -1.10 0.00 0.00 60.65 59.15 1uy3 s ILE 86 Cb -0.28 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.52 1uy3 s ILE 86 CO 0.36 0.17 -0.22 -0.13 -0.10 0.00 0.00 174.94 175.02 1uy3 s ARG 87 N 1.35 1.77 0.06 2.79 0.52 -0.23 -0.14 118.95 125.08 1uy3 s ARG 87 Ca 0.00 -1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 53.93 1uy3 s ARG 87 Cb -0.17 -2.06 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 1uy3 s ARG 87 CO -0.03 0.50 0.44 0.45 0.02 0.00 0.00 175.30 176.68 1uy3 s SER 88 N -1.76 6.76 0.00 0.23 0.15 -0.34 -0.69 113.70 118.05 1uy3 s SER 88 Ca 0.15 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1uy3 s SER 88 Cb -0.10 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1uy3 s SER 88 CO 0.06 0.22 0.00 0.47 1.20 0.00 0.00 173.24 175.19 1uy3 n ASP 89 N 1.27 0.00 -3.71 5.45 8.00 0.16 -3.23 116.55 124.49 1uy3 n ASP 89 Ca -0.10 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.36 1uy3 n ASP 89 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1uy3 n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1uy3 s SER 90 N 0.00 -0.16 0.60 -2.24 1.04 -1.26 -4.76 113.70 106.91 1uy3 s SER 90 Ca 0.00 -0.47 0.30 0.00 0.48 0.00 0.00 55.95 56.26 1uy3 s SER 90 Cb 0.00 0.52 1.78 0.00 0.10 0.00 0.00 66.02 68.43 1uy3 s SER 90 CO 0.00 -0.98 2.19 -0.65 0.98 0.00 0.00 173.24 174.78 1uy3 h PRO 91 N 2.00 0.00 -0.48 4.02 0.11 -1.94 -1.31 132.00 134.40 1uy3 h PRO 91 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1uy3 h PRO 91 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uy3 h PRO 91 CO 0.27 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.31 1uy3 n THR 92 N -3.76 1.13 -0.68 -1.15 -2.24 -1.26 -5.00 114.28 101.31 1uy3 n THR 92 Ca -0.01 -1.06 -0.05 0.00 -2.27 0.00 0.00 64.05 60.66 1uy3 n THR 92 Cb 0.20 0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.90 1uy3 n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy3 n GLY 93 N 0.85 -2.28 3.70 3.38 0.00 -0.50 -4.92 105.19 105.41 1uy3 n GLY 93 Ca 0.17 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1uy3 n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uy3 s THR 94 N -1.35 2.47 -0.44 2.61 2.01 -1.20 -4.63 115.64 115.11 1uy3 s THR 94 Ca 0.12 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1uy3 s THR 94 Cb -0.01 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1uy3 s THR 94 CO 0.09 0.00 1.68 -0.22 -0.69 0.00 0.00 174.62 175.48 1uy3 s LEU 95 N 2.40 3.46 0.15 4.42 2.96 -1.26 -1.20 118.68 129.61 1uy3 s LEU 95 Ca 0.79 0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 55.53 1uy3 s LEU 95 Cb -0.46 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1uy3 s LEU 95 CO 0.35 -1.80 1.36 -0.07 -1.32 0.00 0.00 176.35 174.87 1uy3 h LEU 96 N 13.90 0.47 0.00 -0.68 3.38 -0.89 -3.45 115.31 128.04 1uy3 h LEU 96 Ca -0.30 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1uy3 h LEU 96 Cb 1.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1uy3 h LEU 96 CO 1.10 1.13 0.00 0.61 0.09 0.00 0.00 178.44 181.37 1uy3 n GLY 97 N 0.79 -0.63 2.88 0.83 0.00 -1.15 -1.10 105.19 106.80 1uy3 n GLY 97 Ca -0.05 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1uy3 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uy3 s THR 98 N -2.00 0.53 -0.27 2.61 2.01 -1.26 -0.56 115.64 116.71 1uy3 s THR 98 Ca 0.00 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 1uy3 s THR 98 Cb 0.00 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1uy3 s THR 98 CO 0.00 0.23 0.33 -0.22 -0.69 0.00 0.00 174.62 174.27 1uy3 s LEU 99 N 1.04 4.04 -0.22 4.42 2.96 0.55 -4.90 118.68 126.56 1uy3 s LEU 99 Ca -0.09 0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 1uy3 s LEU 99 Cb -0.14 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1uy3 s LEU 99 CO -0.01 -0.15 0.37 -0.31 -1.32 0.00 0.00 176.35 174.93 1uy3 s TYR 100 N 1.96 3.35 -0.26 5.38 2.02 -1.26 -0.73 117.35 127.81 1uy3 s TYR 100 Ca 0.13 0.54 0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1uy3 s TYR 100 Cb -0.16 -2.50 0.05 0.00 -0.40 0.00 0.00 41.96 38.96 1uy3 s TYR 100 CO 0.10 -0.03 -0.10 0.08 -1.57 0.00 0.00 175.55 174.03 1uy3 s VAL 101 N 1.38 2.33 0.66 0.71 1.01 0.11 -4.98 120.40 121.62 1uy3 s VAL 101 Ca 0.17 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.60 1uy3 s VAL 101 Cb -0.15 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.96 1uy3 s VAL 101 CO 0.08 0.02 0.95 -0.94 0.00 0.00 0.00 175.10 175.21 1uy3 s SER 102 N 1.15 5.01 0.14 3.32 1.04 -1.26 -0.43 113.70 122.67 1uy3 s SER 102 Ca -0.07 0.40 -0.35 0.00 0.48 0.00 0.00 55.95 56.42 1uy3 s SER 102 Cb -0.19 -1.14 -0.16 0.00 0.10 0.00 0.00 66.02 64.63 1uy3 s SER 102 CO -0.05 -1.44 1.29 -0.24 0.98 0.00 0.00 173.24 173.78 1uy3 n SER 103 N -2.76 1.68 -0.51 7.02 2.88 -1.26 -4.81 113.62 115.85 1uy3 n SER 103 Ca 0.07 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.87 1uy3 n SER 103 Cb 0.60 -1.23 0.25 0.00 -0.75 0.00 0.00 64.21 63.07 1uy3 n SER 103 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1uy3 n THR 104 N 2.12 0.00 0.00 2.46 -2.24 0.31 -4.97 114.28 111.96 1uy3 n THR 104 Ca 0.16 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1uy3 n THR 104 Cb 0.23 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1uy3 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy3 n GLY 105 N 1.33 2.60 3.63 3.38 0.00 -1.23 -4.81 105.19 110.09 1uy3 n GLY 105 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1uy3 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uy3 s SER 106 N -1.03 -0.22 0.21 1.61 1.04 -1.26 -4.97 113.70 109.08 1uy3 s SER 106 Ca 0.00 -0.17 0.21 0.00 0.48 0.00 0.00 55.95 56.47 1uy3 s SER 106 Cb 0.00 0.36 0.90 0.00 0.10 0.00 0.00 66.02 67.38 1uy3 s SER 106 CO 0.00 -0.63 1.64 0.79 0.98 0.00 0.00 173.24 176.02 1uy3 n TRP 107 N -0.35 0.63 -0.03 5.02 7.02 -1.26 -2.69 117.44 125.78 1uy3 n TRP 107 Ca -0.07 0.25 0.03 0.00 -1.02 0.00 0.00 57.50 56.70 1uy3 n TRP 107 Cb 0.61 -0.91 0.07 0.00 -2.42 0.00 0.00 31.31 28.66 1uy3 n TRP 107 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1uy3 n ASN 108 N -2.08 2.32 -4.26 -0.99 4.13 -1.26 -4.74 115.26 108.38 1uy3 n ASN 108 Ca 0.02 -1.87 -0.43 0.00 1.68 0.00 0.00 54.58 53.98 1uy3 n ASN 108 Cb 0.19 -0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.27 1uy3 n ASN 108 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1uy3 s THR 109 N -0.91 4.76 0.31 3.41 2.01 -1.09 -4.78 115.64 119.34 1uy3 s THR 109 Ca 0.11 -1.93 -0.22 0.00 0.31 0.00 0.00 61.69 59.96 1uy3 s THR 109 Cb 0.06 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1uy3 s THR 109 CO 0.08 -0.86 0.86 -0.31 -0.69 0.00 0.00 174.62 173.70 1uy3 s TYR 110 N 1.08 3.58 -0.03 4.92 1.51 -1.26 -4.36 117.35 122.79 1uy3 s TYR 110 Ca 0.08 1.58 -0.02 0.00 -1.01 0.00 0.00 57.07 57.70 1uy3 s TYR 110 Cb -0.24 -2.78 0.02 0.00 -0.11 0.00 0.00 41.96 38.85 1uy3 s TYR 110 CO -0.01 0.18 0.08 1.21 -1.11 0.00 0.00 175.55 175.89 1uy3 s ASN 111 N -1.80 -0.05 -0.08 2.29 3.04 0.17 -4.91 114.94 113.60 1uy3 s ASN 111 Ca 0.51 0.15 -0.30 0.00 0.04 0.00 0.00 52.86 53.26 1uy3 s ASN 111 Cb -0.15 0.11 -0.02 0.00 -1.54 0.00 0.00 41.25 39.64 1uy3 s ASN 111 CO 0.20 -0.07 1.12 -0.89 -3.04 0.00 0.00 177.10 174.43 1uy3 s THR 112 N 0.44 4.47 -0.01 -5.21 2.01 -1.26 -1.47 115.64 114.62 1uy3 s THR 112 Ca -0.03 1.78 0.04 0.00 0.31 0.00 0.00 61.69 63.79 1uy3 s THR 112 Cb -0.05 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1uy3 s THR 112 CO -0.02 -0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.07 1uy3 s VAL 113 N 2.20 1.13 0.10 3.82 1.01 -0.03 -4.97 120.40 123.67 1uy3 s VAL 113 Ca 0.52 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1uy3 s VAL 113 Cb -0.22 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1uy3 s VAL 113 CO 0.20 0.32 -0.14 -0.94 0.00 0.00 0.00 175.10 174.53 1uy3 s SER 114 N -0.33 1.91 0.10 3.32 1.04 -1.26 -0.85 113.70 117.63 1uy3 s SER 114 Ca 0.05 -0.74 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 1uy3 s SER 114 Cb -0.06 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1uy3 s SER 114 CO -0.01 -0.12 0.13 0.28 0.98 0.00 0.00 173.24 174.51 1uy3 s THR 115 N -1.83 0.14 0.41 2.02 -1.32 0.41 -4.93 115.64 110.54 1uy3 s THR 115 Ca 0.05 -1.51 -0.22 0.00 -1.21 0.00 0.00 61.69 58.79 1uy3 s THR 115 Cb -0.07 -1.62 -0.10 0.00 -1.51 0.00 0.00 72.50 69.20 1uy3 s THR 115 CO 0.03 -0.62 0.99 0.54 -2.21 0.00 0.00 174.62 173.34 1uy3 s ASN 116 N -2.93 6.85 0.17 8.08 4.22 -1.26 -1.43 114.94 128.64 1uy3 s ASN 116 Ca 0.12 1.85 0.05 0.00 -2.14 0.00 0.00 52.86 52.73 1uy3 s ASN 116 Cb 0.06 -2.56 -0.05 0.00 1.28 0.00 0.00 41.25 39.98 1uy3 s ASN 116 CO -0.06 -0.42 -0.09 0.27 -2.04 0.00 0.00 177.10 174.76 1uy3 s ILE 117 N -1.91 1.24 0.51 0.54 -4.36 -0.29 -4.57 121.20 112.37 1uy3 s ILE 117 Ca 0.60 -2.08 -0.22 0.00 -0.26 0.00 0.00 60.65 58.69 1uy3 s ILE 117 Cb -0.15 -1.98 -0.06 0.00 1.25 0.00 0.00 42.46 41.52 1uy3 s ILE 117 CO 0.20 -0.64 1.30 -0.94 0.24 0.00 0.00 174.94 175.10 1uy3 s SER 118 N -3.22 5.58 0.16 4.36 1.04 -0.26 -4.57 113.70 116.79 1uy3 s SER 118 Ca 0.20 2.62 -0.32 0.00 0.48 0.00 0.00 55.95 58.94 1uy3 s SER 118 Cb 0.03 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.42 1uy3 s SER 118 CO 0.03 -1.35 1.61 -0.75 0.98 0.00 0.00 173.24 173.77 1uy3 s LYS 119 N -2.82 4.20 -0.02 4.02 2.20 -1.26 -4.71 119.74 121.34 1uy3 s LYS 119 Ca 0.69 2.41 0.05 0.00 -0.36 0.00 0.00 55.97 58.75 1uy3 s LYS 119 Cb -0.37 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1uy3 s LYS 119 CO 0.44 -0.65 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.11 1uy3 s ILE 120 N 1.36 1.35 0.29 5.43 2.07 -0.99 -4.95 121.20 125.75 1uy3 s ILE 120 Ca 0.72 -0.71 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1uy3 s ILE 120 Cb -0.44 -1.14 -0.06 0.00 0.13 0.00 0.00 42.46 40.95 1uy3 s ILE 120 CO 0.32 0.39 -0.05 0.42 -1.91 0.00 0.00 174.94 174.10 1uy3 s THR 121 N -0.23 1.66 0.00 4.00 -4.23 -1.26 -1.62 115.64 113.96 1uy3 s THR 121 Ca 0.03 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1uy3 s THR 121 Cb -0.08 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1uy3 s THR 121 CO 0.00 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1uy3 n GLY 122 N -0.62 -0.74 3.54 3.99 0.00 -0.55 -4.79 105.19 106.02 1uy3 n GLY 122 Ca -0.05 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1uy3 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uy3 s VAL 123 N 0.00 4.68 -0.04 1.61 1.01 -1.26 -0.59 120.40 125.81 1uy3 s VAL 123 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1uy3 s VAL 123 Cb 0.00 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1uy3 s VAL 123 CO 0.00 0.36 0.19 -1.00 0.00 0.00 0.00 175.10 174.65 1uy3 s HIS 124 N 1.24 -0.11 0.66 5.22 4.02 -0.14 -4.90 115.29 121.28 1uy3 s HIS 124 Ca 0.05 0.25 -0.17 0.00 1.02 0.00 0.00 55.06 56.21 1uy3 s HIS 124 Cb -0.14 0.03 0.00 0.00 -1.02 0.00 0.00 32.58 31.45 1uy3 s HIS 124 CO 0.04 -0.20 1.23 -0.51 1.02 0.00 0.00 174.74 176.32 1uy3 s ASP 125 N -0.61 4.64 -0.06 1.40 1.11 -1.26 -0.72 116.67 121.16 1uy3 s ASP 125 Ca -0.07 2.43 0.05 0.00 0.18 0.00 0.00 52.55 55.14 1uy3 s ASP 125 Cb -0.04 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 1uy3 s ASP 125 CO 0.01 -1.97 -0.23 -0.63 1.18 0.00 0.00 175.17 173.53 1uy3 s ILE 126 N -1.72 1.89 -0.16 0.77 -1.09 -0.03 -0.66 121.20 120.20 1uy3 s ILE 126 Ca 0.77 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 1uy3 s ILE 126 Cb -0.31 -1.61 0.01 0.00 -1.58 0.00 0.00 42.46 38.96 1uy3 s ILE 126 CO 0.40 0.53 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.75 1uy3 s VAL 127 N -0.02 2.21 -0.15 2.92 1.01 0.13 -0.10 120.40 126.41 1uy3 s VAL 127 Ca -0.06 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1uy3 s VAL 127 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1uy3 s VAL 127 CO 0.04 0.54 0.38 -0.76 0.00 0.00 0.00 175.10 175.30 1uy3 s LEU 128 N 1.01 4.25 -0.20 3.92 1.43 0.14 -1.07 118.68 128.15 1uy3 s LEU 128 Ca -0.02 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1uy3 s LEU 128 Cb -0.15 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1uy3 s LEU 128 CO -0.05 0.04 -0.14 -0.69 0.23 0.00 0.00 176.35 175.74 1uy3 s VAL 129 N 0.63 2.53 -0.14 -1.59 1.01 -0.45 -0.91 120.40 121.46 1uy3 s VAL 129 Ca 0.21 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1uy3 s VAL 129 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1uy3 s VAL 129 CO 0.07 0.45 0.14 -0.36 0.00 0.00 0.00 175.10 175.39 1uy3 s PHE 130 N 1.34 3.55 -2.67 5.22 0.08 -0.31 -1.00 117.98 124.18 1uy3 s PHE 130 Ca 0.04 0.48 0.24 0.00 0.12 0.00 0.00 56.93 57.81 1uy3 s PHE 130 Cb -0.14 -2.01 0.47 0.00 -0.57 0.00 0.00 43.02 40.77 1uy3 s PHE 130 CO -0.09 0.61 1.42 -1.13 -0.10 0.00 0.00 175.22 175.93 1uy3 n SER 131 N 2.41 2.74 0.00 1.36 3.41 -0.90 -0.50 113.62 122.14 1uy3 n SER 131 Ca -0.19 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1uy3 n SER 131 Cb 0.54 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1uy3 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uy3 n GLY 132 N 1.34 -0.82 3.76 5.00 0.00 -1.26 -4.32 105.19 108.88 1uy3 n GLY 132 Ca 0.17 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1uy3 n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uy3 s PRO 133 N -2.00 4.24 -0.19 1.61 0.04 -1.23 -4.61 135.00 132.86 1uy3 s PRO 133 Ca 0.00 2.37 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 1uy3 s PRO 133 Cb 0.00 -3.07 0.10 0.00 0.04 0.00 0.00 34.50 31.57 1uy3 s PRO 133 CO 0.00 -0.43 0.86 0.54 0.04 0.00 0.00 177.00 178.01 1uy3 s VAL 134 N -0.39 0.00 -0.17 -0.36 0.11 -1.26 -4.76 120.40 113.57 1uy3 s VAL 134 Ca 0.57 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.53 1uy3 s VAL 134 Cb -0.43 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 1uy3 s VAL 134 CO 0.49 0.00 0.13 0.20 -3.33 0.00 0.00 175.10 172.59 1uy3 s ASN 135 N -0.46 6.23 -0.12 3.54 0.01 0.37 -4.55 114.94 119.97 1uy3 s ASN 135 Ca -0.03 0.32 0.02 0.00 -0.71 0.00 0.00 52.86 52.46 1uy3 s ASN 135 Cb -0.02 -2.06 0.02 0.00 0.41 0.00 0.00 41.25 39.59 1uy3 s ASN 135 CO 0.02 0.27 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.04 1uy3 s VAL 136 N -0.21 1.55 -0.17 1.60 1.01 -0.31 -0.98 120.40 122.88 1uy3 s VAL 136 Ca 0.11 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1uy3 s VAL 136 Cb -0.11 -1.41 -0.13 0.00 0.00 0.00 0.00 36.38 34.72 1uy3 s VAL 136 CO 0.01 0.45 0.13 -0.78 0.00 0.00 0.00 175.10 174.91 1uy3 h ASP 137 N 7.50 0.00 -5.04 3.32 1.82 -1.22 0.29 116.42 123.09 1uy3 h ASP 137 Ca -0.32 -0.36 0.02 0.00 -0.39 0.00 0.00 57.03 55.98 1uy3 h ASP 137 Cb 1.17 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.14 1uy3 h ASP 137 CO 0.50 1.14 0.20 0.54 -1.61 0.00 0.00 179.24 180.00 1uy3 s ASN 138 N -6.34 -0.12 0.26 2.28 6.03 -1.24 -1.73 114.94 114.08 1uy3 s ASN 138 Ca -0.21 -0.84 -0.17 0.00 -1.03 0.00 0.00 52.86 50.61 1uy3 s ASN 138 Cb 0.03 0.75 0.01 0.00 -3.03 0.00 0.00 41.25 39.02 1uy3 s ASN 138 CO 0.44 -1.44 0.59 0.72 -2.03 0.00 0.00 177.10 175.38 1uy3 s PHE 139 N -3.39 0.07 0.05 1.54 -0.71 -0.47 -1.21 117.98 113.87 1uy3 s PHE 139 Ca 0.14 -0.47 -0.27 0.00 -1.04 0.00 0.00 56.93 55.29 1uy3 s PHE 139 Cb -0.05 0.44 0.08 0.00 -1.21 0.00 0.00 43.02 42.28 1uy3 s PHE 139 CO 0.09 -1.10 0.71 -1.50 -1.34 0.00 0.00 175.22 172.08 1uy3 s ILE 140 N -3.96 0.00 0.22 -4.49 2.07 -0.25 -0.61 121.20 114.18 1uy3 s ILE 140 Ca 0.16 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.47 1uy3 s ILE 140 Cb -0.03 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 1uy3 s ILE 140 CO 0.07 0.00 0.15 -0.36 -1.91 0.00 0.00 174.94 172.89 1uy3 s PHE 141 N -2.83 3.07 -0.05 3.50 0.08 -0.52 -1.22 117.98 120.01 1uy3 s PHE 141 Ca -0.01 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 56.98 1uy3 s PHE 141 Cb -0.01 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1uy3 s PHE 141 CO -0.06 0.53 -0.16 -1.54 -0.10 0.00 0.00 175.22 173.89 1uy3 s SER 142 N -3.58 3.91 0.53 1.36 1.04 -0.19 -4.55 113.70 112.22 1uy3 s SER 142 Ca 0.32 -0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.32 1uy3 s SER 142 Cb -0.08 -0.80 -0.06 0.00 0.10 0.00 0.00 66.02 65.18 1uy3 s SER 142 CO 0.24 0.34 1.13 0.00 0.98 0.00 0.00 173.24 175.92 1uy3 s ARG 143 N -0.70 3.45 0.80 4.02 1.70 -1.26 -1.09 118.95 125.87 1uy3 s ARG 143 Ca 0.11 1.61 -0.11 0.00 -0.47 0.00 0.00 55.73 56.87 1uy3 s ARG 143 Cb -0.11 -2.07 0.08 0.00 -0.57 0.00 0.00 34.95 32.28 1uy3 s ARG 143 CO 0.00 -0.77 1.12 -1.54 -1.08 0.00 0.00 175.30 173.03 1uy3 s SER 144 N -1.73 4.02 0.00 -2.89 1.04 -0.88 -4.41 113.70 108.86 1uy3 s SER 144 Ca 0.71 2.01 0.27 0.00 0.48 0.00 0.00 55.95 59.42 1uy3 s SER 144 Cb -0.24 -2.55 1.62 0.00 0.10 0.00 0.00 66.02 64.96 1uy3 s SER 144 CO 0.27 -2.36 1.97 -1.20 0.98 0.00 0.00 173.24 172.90