#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3i n VAL 30 N 0.00 2.00 -0.32 0.00 3.14 -1.26 -4.85 118.33 117.04 3h3i n VAL 30 Ca 0.00 -3.40 -0.05 0.00 -2.96 0.00 0.00 64.34 57.93 3h3i n VAL 30 Cb 0.00 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 3h3i n VAL 30 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3h3i h GLU 31 N 1.74 -0.07 -1.87 1.45 3.07 -2.01 -2.40 114.58 114.49 3h3i h GLU 31 Ca 0.12 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3h3i h GLU 31 Cb 1.37 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3h3i h GLU 31 CO 0.37 -0.05 0.00 0.36 -1.40 0.00 0.00 179.01 178.29 3h3i n LYS 32 N -5.42 0.25 -0.27 2.33 -0.00 -1.26 -4.70 118.16 109.08 3h3i n LYS 32 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 3h3i n LYS 32 Cb 0.36 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.02 3h3i n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3h3i n ALA 34 N 1.35 -1.00 0.00 0.58 0.00 -0.91 -5.04 120.51 115.50 3h3i n ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h3i n ALA 34 Cb 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3h3i n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3i n GLY 35 N -0.43 0.18 3.51 0.00 0.00 0.22 -4.93 105.19 103.73 3h3i n GLY 35 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 3h3i n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3i s ASP 36 N 0.00 5.13 0.13 1.61 1.01 -1.26 -1.14 116.67 122.15 3h3i s ASP 36 Ca 0.00 -0.11 0.09 0.00 0.71 0.00 0.00 52.55 53.24 3h3i s ASP 36 Cb 0.00 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 3h3i s ASP 36 CO 0.00 0.09 -0.21 0.26 0.21 0.00 0.00 175.17 175.52 3h3i s TRP 37 N 0.85 1.89 -0.25 4.23 0.52 -1.26 -0.29 118.94 124.62 3h3i s TRP 37 Ca 0.02 -0.43 -0.04 0.00 0.02 0.00 0.00 56.10 55.67 3h3i s TRP 37 Cb -0.14 -0.99 0.01 0.00 -1.15 0.00 0.00 33.47 31.20 3h3i s TRP 37 CO 0.02 0.29 -0.00 -1.58 0.02 0.00 0.00 176.95 175.69 3h3i s TRP 38 N -1.52 3.06 0.23 -1.98 0.52 -0.34 -4.25 118.94 114.65 3h3i s TRP 38 Ca 0.12 -1.11 0.04 0.00 0.02 0.00 0.00 56.10 55.17 3h3i s TRP 38 Cb -0.08 -2.14 -0.05 0.00 -1.15 0.00 0.00 33.47 30.04 3h3i s TRP 38 CO 0.06 -0.60 -0.01 0.14 0.02 0.00 0.00 176.95 176.55 3h3i s VAL 39 N 1.45 1.10 0.20 4.03 -7.23 0.55 -1.80 120.40 118.70 3h3i s VAL 39 Ca 0.03 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 3h3i s VAL 39 Cb -0.16 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 3h3i s VAL 39 CO -0.02 -0.35 -0.18 0.42 -0.31 0.00 0.00 175.10 174.66 3h3i s THR 40 N -3.37 2.00 -0.20 5.32 -4.23 -0.26 0.23 115.64 115.12 3h3i s THR 40 Ca 0.28 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 3h3i s THR 40 Cb 0.05 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.91 3h3i s THR 40 CO 0.08 -0.38 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.98 3h3i s VAL 41 N -2.34 1.70 0.41 2.29 1.01 -1.26 -1.86 120.40 120.35 3h3i s VAL 41 Ca 0.21 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3h3i s VAL 41 Cb -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3h3i s VAL 41 CO 0.09 0.17 0.52 0.20 0.00 0.00 0.00 175.10 176.08 3h3i s ASN 42 N 1.37 5.59 0.02 3.32 0.01 -0.42 -3.38 114.94 121.44 3h3i s ASN 42 Ca -0.02 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.64 3h3i s ASN 42 Cb -0.16 -0.71 -0.01 0.00 0.41 0.00 0.00 41.25 40.78 3h3i s ASN 42 CO -0.08 -0.70 0.07 0.00 -1.51 0.00 0.00 177.10 174.88 3h3i s ALA 43 N -2.35 -0.09 -0.54 0.60 0.00 -0.91 -0.99 121.76 117.47 3h3i s ALA 43 Ca 0.53 -0.44 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 3h3i s ALA 43 Cb -0.09 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.28 3h3i s ALA 43 CO 0.32 -0.24 0.66 -0.06 0.00 0.00 0.00 175.76 176.45 3h3i s PHE 44 N -1.89 3.02 -0.23 0.00 0.08 -0.85 0.24 117.98 118.35 3h3i s PHE 44 Ca -0.11 -0.71 -0.04 0.00 0.12 0.00 0.00 56.93 56.19 3h3i s PHE 44 Cb -0.06 -3.75 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 3h3i s PHE 44 CO -0.01 -1.15 -0.04 0.42 -0.10 0.00 0.00 175.22 174.34 3h3i s ILE 45 N 2.69 3.30 -1.35 0.64 1.01 -0.07 -4.56 121.20 122.86 3h3i s ILE 45 Ca 0.14 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 3h3i s ILE 45 Cb -0.21 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.72 3h3i s ILE 45 CO 0.10 0.34 1.03 0.47 0.00 0.00 0.00 174.94 176.87 3h3i n ASP 46 N 4.77 -4.25 0.00 3.58 8.00 -1.26 -2.37 116.55 125.02 3h3i n ASP 46 Ca -0.17 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3h3i n ASP 46 Cb 0.50 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 3h3i n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3i n GLY 47 N -1.67 2.89 3.85 0.44 0.00 -1.26 -5.01 105.19 104.43 3h3i n GLY 47 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3h3i n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3i s LYS 48 N -0.14 3.35 -0.34 1.61 0.00 -1.00 -5.05 119.74 118.18 3h3i s LYS 48 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 55.97 55.45 3h3i s LYS 48 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 37.83 34.74 3h3i s LYS 48 CO 0.00 0.74 1.27 -2.00 0.00 0.00 0.00 175.35 175.36 3h3i s GLU 49 N -1.24 3.86 -0.15 1.78 2.12 -1.26 -0.89 118.70 122.92 3h3i s GLU 49 Ca 0.18 1.10 -0.15 0.00 0.36 0.00 0.00 54.97 56.46 3h3i s GLU 49 Cb -0.12 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 3h3i s GLU 49 CO 0.07 -1.19 0.34 0.08 -0.54 0.00 0.00 175.26 174.02 3h3i s VAL 50 N 4.46 5.28 -0.21 3.70 1.01 0.14 -4.94 120.40 129.83 3h3i s VAL 50 Ca 0.55 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 3h3i s VAL 50 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 3h3i s VAL 50 CO 0.25 0.37 1.17 -0.70 0.00 0.00 0.00 175.10 176.18 3h3i s GLU 51 N 0.52 4.20 -1.05 2.72 2.12 -1.26 -2.15 118.70 123.81 3h3i s GLU 51 Ca 0.19 1.47 -0.27 0.00 0.36 0.00 0.00 54.97 56.72 3h3i s GLU 51 Cb -0.13 -3.72 0.04 0.00 0.26 0.00 0.00 34.13 30.57 3h3i s GLU 51 CO 0.05 -0.73 0.61 -3.47 -0.54 0.00 0.00 175.26 171.19 3h3i n ASP 52 N 6.60 -3.87 0.07 -1.70 2.03 -1.22 -4.82 116.55 113.64 3h3i n ASP 52 Ca 0.13 -1.15 0.05 0.00 0.52 0.00 0.00 54.79 54.34 3h3i n ASP 52 Cb 0.46 -1.45 0.47 0.00 -0.72 0.00 0.00 41.12 39.88 3h3i n ASP 52 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3h3i h PRO 53 N -1.82 0.39 0.00 -0.67 0.13 -1.74 -1.97 132.00 126.33 3h3i h PRO 53 Ca -0.65 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3h3i h PRO 53 Cb 1.29 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h3i h PRO 53 CO 0.45 0.28 0.00 1.19 -0.23 0.00 0.00 178.00 179.69 3h3i n PHE 54 N -4.48 0.95 -1.77 1.56 3.01 -1.26 -4.92 117.46 110.56 3h3i n PHE 54 Ca 0.01 0.29 -0.07 0.00 1.01 0.00 0.00 57.45 58.69 3h3i n PHE 54 Cb 0.08 -0.97 -0.01 0.00 -0.01 0.00 0.00 39.48 38.57 3h3i n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h3i n GLY 55 N 1.18 0.42 0.26 1.37 0.00 -0.74 -4.92 105.19 102.75 3h3i n GLY 55 Ca 0.05 -0.63 0.15 0.00 0.00 0.00 0.00 46.02 45.59 3h3i n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3i h ALA 56 N 0.21 1.02 -0.51 4.61 0.00 -1.91 -3.49 119.26 119.19 3h3i h ALA 56 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h3i h ALA 56 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h3i h ALA 56 CO 0.22 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.97 3h3i n GLY 57 N 0.08 -0.06 3.72 0.00 0.00 -1.26 -4.72 105.19 102.95 3h3i n GLY 57 Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 3h3i n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3i s HIS 58 N 0.00 3.73 0.11 1.61 3.76 -1.26 -4.54 115.29 118.70 3h3i s HIS 58 Ca 0.00 1.69 0.08 0.00 -0.15 0.00 0.00 55.06 56.69 3h3i s HIS 58 Cb 0.00 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 3h3i s HIS 58 CO 0.00 0.12 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.29 3h3i s LEU 59 N 0.45 2.32 0.48 0.89 1.43 0.14 -4.91 118.68 119.47 3h3i s LEU 59 Ca 0.48 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3h3i s LEU 59 Cb -0.22 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.14 3h3i s LEU 59 CO 0.28 0.04 0.69 -1.10 0.23 0.00 0.00 176.35 176.49 3h3i s GLN 60 N -2.04 2.86 -0.09 1.70 -0.21 -1.26 -0.33 119.66 120.28 3h3i s GLN 60 Ca 0.08 -0.68 -0.30 0.00 0.02 0.00 0.00 55.36 54.47 3h3i s GLN 60 Cb -0.09 -2.56 0.09 0.00 1.00 0.00 0.00 33.01 31.44 3h3i s GLN 60 CO 0.05 -0.41 0.78 -1.12 -2.12 0.00 0.00 175.29 172.46 3h3i s SER 62 N -4.30 -0.58 -0.04 5.90 0.01 -0.15 -4.58 113.70 109.96 3h3i s SER 62 Ca 0.52 0.66 0.05 0.00 1.31 0.00 0.00 55.95 58.49 3h3i s SER 62 Cb -0.10 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 3h3i s SER 62 CO 0.37 -0.51 -0.17 0.42 0.41 0.00 0.00 173.24 173.75 3h3i s THR 63 N -1.08 1.44 0.18 1.44 -4.23 -0.29 -0.50 115.64 112.60 3h3i s THR 63 Ca -0.08 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 59.60 3h3i s THR 63 Cb -0.00 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.61 3h3i s THR 63 CO 0.07 0.41 0.34 -0.72 -0.54 0.00 0.00 174.62 174.18 3h3i s TYR 64 N -0.08 0.37 0.82 3.99 -0.85 -0.85 0.70 117.35 121.45 3h3i s TYR 64 Ca -0.01 -0.72 -0.10 0.00 -0.52 0.00 0.00 57.07 55.71 3h3i s TYR 64 Cb -0.10 0.01 0.09 0.00 0.38 0.00 0.00 41.96 42.34 3h3i s TYR 64 CO 0.01 -0.79 1.11 -0.80 -1.52 0.00 0.00 175.55 173.56 3h3i s ASN 65 N -2.98 3.97 0.84 -0.18 0.01 -1.26 0.04 114.94 115.38 3h3i s ASN 65 Ca 0.18 1.89 -0.12 0.00 -0.71 0.00 0.00 52.86 54.10 3h3i s ASN 65 Cb 0.02 -2.51 0.10 0.00 0.41 0.00 0.00 41.25 39.28 3h3i s ASN 65 CO 0.02 -2.39 1.19 0.42 -1.51 0.00 0.00 177.10 174.83 3h3i s THR 66 N -2.83 2.00 0.43 1.60 -4.23 -1.26 -4.63 115.64 106.71 3h3i s THR 66 Ca 0.63 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.24 3h3i s THR 66 Cb -0.19 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 70.91 3h3i s THR 66 CO 0.57 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.67 3h3i h ALA 67 N -1.18 1.70 -0.02 3.99 0.00 -1.98 -1.57 119.26 120.20 3h3i h ALA 67 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3h3i h ALA 67 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3h3i h ALA 67 CO 0.63 0.23 0.00 0.43 0.00 0.00 0.00 179.25 180.54 3h3i n SER 68 N -4.41 0.33 -3.73 0.00 7.64 -1.26 -4.91 113.62 107.29 3h3i n SER 68 Ca -0.00 -1.26 -0.28 0.00 1.01 0.00 0.00 58.87 58.34 3h3i n SER 68 Cb 0.16 -0.01 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 3h3i n SER 68 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3h3i n ASN 69 N -0.67 -5.31 -4.67 6.43 4.13 -0.59 -4.89 115.26 109.69 3h3i n ASN 69 Ca 0.19 -0.65 -0.41 0.00 1.68 0.00 0.00 54.58 55.39 3h3i n ASN 69 Cb 0.14 -4.23 0.01 0.00 -1.54 0.00 0.00 39.78 34.17 3h3i n ASN 69 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3h3i n SER 70 N -2.82 2.08 0.09 6.41 2.88 -1.26 -4.82 113.62 116.17 3h3i n SER 70 Ca 0.02 1.09 0.08 0.00 -1.33 0.00 0.00 58.87 58.74 3h3i n SER 70 Cb 0.54 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 3h3i n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3h3i n GLU 71 N 0.12 0.61 -0.00 -1.46 1.02 -1.26 -4.34 120.64 115.33 3h3i n GLU 71 Ca 0.08 0.15 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 3h3i n GLU 71 Cb 0.39 -1.82 -0.12 0.00 -0.02 0.00 0.00 31.44 29.87 3h3i n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3h3i n THR 72 N -2.73 0.00 -3.99 2.62 -2.24 -1.26 -4.59 114.28 102.08 3h3i n THR 72 Ca -0.03 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 3h3i n THR 72 Cb 0.63 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 3h3i n THR 72 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3h3i s GLU 73 N -2.99 1.98 -0.02 -0.78 -1.05 -1.26 0.09 118.70 114.68 3h3i s GLU 73 Ca 0.07 -1.60 0.04 0.00 -0.15 0.00 0.00 54.97 53.33 3h3i s GLU 73 Cb 0.16 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.32 3h3i s GLU 73 CO 0.85 -0.86 -0.12 -1.58 0.95 0.00 0.00 175.26 174.51 3h3i s TRP 75 N -2.93 2.77 -0.11 4.83 0.52 0.11 -4.42 118.94 119.71 3h3i s TRP 75 Ca 0.25 -0.11 0.03 0.00 0.02 0.00 0.00 56.10 56.28 3h3i s TRP 75 Cb -0.02 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.71 3h3i s TRP 75 CO 0.16 0.28 -0.21 -1.17 0.02 0.00 0.00 176.95 176.03 3h3i s LEU 76 N -1.12 2.00 -0.09 2.99 0.20 0.26 -2.02 118.68 120.91 3h3i s LEU 76 Ca 0.14 -0.52 -0.03 0.00 0.69 0.00 0.00 54.13 54.41 3h3i s LEU 76 Cb -0.11 -1.31 0.04 0.00 -0.43 0.00 0.00 46.19 44.38 3h3i s LEU 76 CO 0.04 0.11 0.06 -0.62 -0.29 0.00 0.00 176.35 175.65 3h3i s ASP 77 N 0.55 1.61 0.00 3.68 -1.08 0.34 -1.76 116.67 120.02 3h3i s ASP 77 Ca -0.15 -0.17 0.29 0.00 -0.52 0.00 0.00 52.55 52.01 3h3i s ASP 77 Cb -0.17 -0.24 1.69 0.00 -1.46 0.00 0.00 42.92 42.73 3h3i s ASP 77 CO 0.05 -0.27 2.07 -0.90 0.52 0.00 0.00 175.17 176.64 3h3i n ASP 78 N 5.25 0.00 -2.18 -0.34 5.75 -0.78 -0.98 116.55 123.27 3h3i n ASP 78 Ca -0.05 -0.72 -0.19 0.00 -0.01 0.00 0.00 54.79 53.82 3h3i n ASP 78 Cb 0.50 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 3h3i n ASP 78 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3h3i n LEU 79 N -1.07 -1.67 -0.05 -2.12 4.77 -1.26 -1.03 117.00 114.56 3h3i n LEU 79 Ca 0.20 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.32 3h3i n LEU 79 Cb 0.13 -2.75 -0.00 0.00 -2.33 0.00 0.00 43.42 38.48 3h3i n LEU 79 CO 0.18 -0.41 -0.01 0.61 -1.33 0.00 0.00 177.39 176.43 3h3i n GLY 80 N -0.81 0.36 0.03 -0.72 0.00 -1.26 -4.91 105.19 97.87 3h3i n GLY 80 Ca -0.22 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3h3i n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h3i n ASN 81 N -0.31 0.53 0.00 1.61 3.02 -0.20 -4.57 115.26 115.34 3h3i n ASN 81 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3h3i n ASN 81 Cb 0.20 0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 3h3i n ASN 81 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3h3i n PHE 82 N -1.74 0.00 1.01 3.10 7.35 -1.26 -4.94 117.46 120.97 3h3i n PHE 82 Ca 0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.85 3h3i n PHE 82 Cb 0.38 0.00 0.08 0.00 0.35 0.00 0.00 39.48 40.29 3h3i n PHE 82 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 3h3i n TRP 83 N 0.00 0.00 -2.14 -5.13 -0.00 -1.26 -5.00 117.44 103.91 3h3i n TRP 83 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3h3i n TRP 83 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 31.31 31.18 3h3i n TRP 83 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3h3i n GLU 84 N -1.45 -0.55 -4.01 5.87 1.02 -1.26 -5.07 120.64 115.19 3h3i n GLU 84 Ca 0.05 0.89 -0.12 0.00 -0.02 0.00 0.00 57.16 57.96 3h3i n GLU 84 Cb 0.34 -3.24 -0.12 0.00 -0.02 0.00 0.00 31.44 28.39 3h3i n GLU 84 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3h3i s TYR 85 N -3.01 0.38 -0.17 -0.32 1.13 -1.26 -4.50 117.35 109.61 3h3i s TYR 85 Ca 0.01 -0.38 -0.07 0.00 -1.41 0.00 0.00 57.07 55.22 3h3i s TYR 85 Cb -0.00 -0.24 0.07 0.00 -1.10 0.00 0.00 41.96 40.69 3h3i s TYR 85 CO 0.31 -0.10 0.37 0.21 -2.51 0.00 0.00 175.55 173.82 3h3i s LYS 86 N -1.10 0.29 0.14 -3.49 2.20 -1.26 -1.87 119.74 114.65 3h3i s LYS 86 Ca -0.09 0.87 -0.15 0.00 -0.36 0.00 0.00 55.97 56.24 3h3i s LYS 86 Cb -0.07 0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.40 3h3i s LYS 86 CO -0.00 -0.23 0.40 -0.48 -0.36 0.00 0.00 175.35 174.68 3h3i s LEU 87 N 2.17 0.45 0.23 5.43 2.34 -0.72 -0.61 118.68 127.97 3h3i s LEU 87 Ca -0.04 -0.44 -0.30 0.00 0.06 0.00 0.00 54.13 53.42 3h3i s LEU 87 Cb -0.11 1.79 -0.09 0.00 -0.56 0.00 0.00 46.19 47.22 3h3i s LEU 87 CO -0.11 -0.90 0.93 -0.54 -1.06 0.00 0.00 176.35 174.67 3h3i s LYS 88 N -3.84 4.83 0.04 1.48 1.02 -1.26 -0.57 119.74 121.44 3h3i s LYS 88 Ca 0.06 1.47 0.07 0.00 0.02 0.00 0.00 55.97 57.59 3h3i s LYS 88 Cb 0.02 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 3h3i s LYS 88 CO -0.08 0.51 -0.21 0.14 -0.92 0.00 0.00 175.35 174.79 3h3i s VAL 89 N -1.14 1.66 0.35 3.17 -7.23 -1.26 -4.92 120.40 111.04 3h3i s VAL 89 Ca 0.41 -1.20 -0.27 0.00 -1.81 0.00 0.00 61.98 59.10 3h3i s VAL 89 Cb -0.26 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 3h3i s VAL 89 CO 0.32 0.20 1.18 0.20 -0.31 0.00 0.00 175.10 176.68 3h3i s ASN 90 N -1.19 6.78 -0.02 4.85 0.01 0.14 -4.35 114.94 121.16 3h3i s ASN 90 Ca 0.07 2.39 0.03 0.00 -0.71 0.00 0.00 52.86 54.65 3h3i s ASN 90 Cb -0.09 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 38.94 3h3i s ASN 90 CO 0.02 -0.50 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.30 3h3i s VAL 91 N -1.30 1.00 -0.39 1.60 1.01 0.11 -1.27 120.40 121.17 3h3i s VAL 91 Ca 0.52 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3h3i s VAL 91 Cb -0.33 -0.86 0.10 0.00 0.00 0.00 0.00 36.38 35.29 3h3i s VAL 91 CO 0.42 0.30 0.17 0.21 0.00 0.00 0.00 175.10 176.19 3h3i s ASN 92 N -0.02 5.20 0.16 3.32 3.84 -0.44 -4.53 114.94 122.48 3h3i s ASN 92 Ca -0.00 -1.89 -0.11 0.00 0.21 0.00 0.00 52.86 51.06 3h3i s ASN 92 Cb -0.08 -1.81 0.04 0.00 -0.55 0.00 0.00 41.25 38.86 3h3i s ASN 92 CO 0.00 -0.49 1.64 0.22 -2.79 0.00 0.00 177.10 175.69 3h3i h TYR 93 N 8.04 0.99 -0.08 0.43 3.20 -1.83 0.17 116.97 127.89 3h3i h TYR 93 Ca -0.14 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3h3i h TYR 93 Cb 1.05 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 3h3i h TYR 93 CO 0.56 0.88 0.06 0.00 -1.64 0.00 0.00 178.16 178.02 3h3i h ALA 94 N 0.98 0.11 0.00 1.82 0.00 -1.96 -2.53 119.26 117.68 3h3i h ALA 94 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3h3i h ALA 94 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3h3i h ALA 94 CO 0.01 -0.40 -0.25 0.00 0.00 0.00 0.00 179.25 178.61 3h3i h ALA 95 N 1.03 1.08 -4.73 0.00 0.00 -1.96 -3.47 119.26 111.21 3h3i h ALA 95 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 3h3i h ALA 95 Cb -0.01 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 17.84 3h3i h ALA 95 CO -0.01 0.31 -0.54 0.54 0.00 0.00 0.00 179.25 179.56 3h3i n ARG 96 N -3.50 -6.09 -4.45 0.00 1.74 0.57 -4.92 116.66 100.00 3h3i n ARG 96 Ca -0.00 0.68 -0.23 0.00 -0.77 0.00 0.00 57.85 57.52 3h3i n ARG 96 Cb 0.41 -5.23 -0.10 0.00 -1.02 0.00 0.00 32.46 26.52 3h3i n ARG 96 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3h3i s THR 97 N -3.23 2.28 0.02 0.55 -4.23 -1.07 -1.41 115.64 108.55 3h3i s THR 97 Ca 0.44 -2.34 -0.18 0.00 -1.18 0.00 0.00 61.69 58.43 3h3i s THR 97 Cb -0.19 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.38 3h3i s THR 97 CO 0.55 -0.41 0.41 0.72 -0.54 0.00 0.00 174.62 175.35 3h3i s PHE 98 N -2.63 -0.28 0.06 3.99 -0.71 -0.71 -1.32 117.98 116.38 3h3i s PHE 98 Ca 0.29 0.32 -0.27 0.00 -1.04 0.00 0.00 56.93 56.23 3h3i s PHE 98 Cb -0.03 0.20 0.10 0.00 -1.21 0.00 0.00 43.02 42.08 3h3i s PHE 98 CO 0.14 -0.53 1.17 -1.54 -1.34 0.00 0.00 175.22 173.11 3h3i s SER 99 N -1.75 -0.06 0.32 1.98 1.04 -0.40 -0.37 113.70 114.47 3h3i s SER 99 Ca -0.08 -0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.13 3h3i s SER 99 Cb -0.02 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 3h3i s SER 99 CO 0.01 -0.56 0.07 0.42 0.98 0.00 0.00 173.24 174.15 3h3i s THR 100 N -2.52 3.00 -0.91 2.02 -4.23 -0.66 0.27 115.64 112.62 3h3i s THR 100 Ca 0.17 -1.83 -0.15 0.00 -1.18 0.00 0.00 61.69 58.70 3h3i s THR 100 Cb 0.01 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 71.15 3h3i s THR 100 CO -0.00 -0.23 0.96 -0.89 -0.54 0.00 0.00 174.62 173.92 3h3i s THR 101 N -2.43 5.28 0.00 3.99 2.01 -1.26 -4.79 115.64 118.44 3h3i s THR 101 Ca 0.35 -2.21 0.00 0.00 0.31 0.00 0.00 61.69 60.14 3h3i s THR 101 Cb -0.03 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 67.87 3h3i s THR 101 CO 0.21 -1.25 0.00 0.61 -0.69 0.00 0.00 174.62 173.50 3h3i n GLY 102 N 4.46 -0.53 3.68 4.40 0.00 -1.26 -4.70 105.19 111.25 3h3i n GLY 102 Ca 0.20 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3h3i n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3i s PHE 103 N 0.00 3.49 0.22 1.61 0.40 -1.26 -4.44 117.98 117.99 3h3i s PHE 103 Ca 0.00 1.49 0.10 0.00 -0.60 0.00 0.00 56.93 57.91 3h3i s PHE 103 Cb 0.00 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 3h3i s PHE 103 CO 0.00 -0.22 -0.11 0.08 0.70 0.00 0.00 175.22 175.67 3h3i s VAL 104 N 2.03 3.04 0.22 -0.44 1.01 0.18 -4.79 120.40 121.66 3h3i s VAL 104 Ca 0.45 -1.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 3h3i s VAL 104 Cb -0.18 -2.54 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 3h3i s VAL 104 CO 0.16 -0.21 1.66 -1.81 0.00 0.00 0.00 175.10 174.89 3h3i s ASP 105 N -3.10 6.42 0.19 3.32 1.01 -1.26 0.41 116.67 123.66 3h3i s ASP 105 Ca 0.27 2.85 -0.29 0.00 0.71 0.00 0.00 52.55 56.08 3h3i s ASP 105 Cb -0.08 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 3h3i s ASP 105 CO 0.15 -0.93 0.91 0.21 0.21 0.00 0.00 175.17 175.73 3h3i s ASN 106 N 0.97 7.55 0.04 0.27 2.47 0.13 -4.72 114.94 121.66 3h3i s ASN 106 Ca 0.71 1.84 0.21 0.00 0.42 0.00 0.00 52.86 56.04 3h3i s ASN 106 Cb -0.48 -2.58 -0.20 0.00 -1.45 0.00 0.00 41.25 36.54 3h3i s ASN 106 CO 0.36 0.11 0.67 0.52 -3.72 0.00 0.00 177.10 175.05 3h3i n VAL 107 N 1.86 0.46 -0.08 -5.21 0.31 0.22 -4.38 118.33 111.50 3h3i n VAL 107 Ca -0.02 -0.57 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 3h3i n VAL 107 Cb 0.48 -0.24 -0.05 0.00 -0.91 0.00 0.00 33.84 33.12 3h3i n VAL 107 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3h3i h THR 108 N 0.00 1.29 -3.61 2.52 2.02 -1.85 -3.47 112.91 109.82 3h3i h THR 108 Ca -0.06 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 65.94 3h3i h THR 108 Cb 1.17 1.56 -0.12 0.00 -1.74 0.00 0.00 68.15 69.01 3h3i h THR 108 CO 0.01 0.34 -0.19 -0.72 0.37 0.00 0.00 175.52 175.33 3h3i s TYR 109 N -4.68 0.07 -0.59 3.16 1.13 -1.26 -5.07 117.35 110.11 3h3i s TYR 109 Ca -0.14 -0.43 -0.26 0.00 -1.41 0.00 0.00 57.07 54.83 3h3i s TYR 109 Cb 0.07 0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 41.01 3h3i s TYR 109 CO 0.76 -0.72 2.11 -2.00 -2.51 0.00 0.00 175.55 173.19 3h3i s GLU 110 N -3.88 2.36 0.14 -3.49 2.12 -1.26 -4.47 118.70 110.22 3h3i s GLU 110 Ca 0.09 0.87 -0.25 0.00 0.36 0.00 0.00 54.97 56.04 3h3i s GLU 110 Cb 0.02 -4.53 0.07 0.00 0.26 0.00 0.00 34.13 29.96 3h3i s GLU 110 CO -0.06 -3.08 1.01 -1.54 -0.54 0.00 0.00 175.26 171.05 3h3i s SER 111 N 9.89 -0.12 0.15 -1.70 1.04 -1.26 -5.04 113.70 116.65 3h3i s SER 111 Ca 0.81 -0.43 0.11 0.00 0.48 0.00 0.00 55.95 56.91 3h3i s SER 111 Cb -0.14 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3h3i s SER 111 CO 0.21 -0.86 -0.26 -0.54 0.98 0.00 0.00 173.24 172.78 3h3i s LYS 112 N -2.95 1.45 0.02 4.02 1.02 -1.26 0.22 119.74 122.26 3h3i s LYS 112 Ca 0.14 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 54.77 3h3i s LYS 112 Cb -0.01 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 3h3i s LYS 112 CO 0.02 0.44 -0.08 0.08 -0.92 0.00 0.00 175.35 174.89 3h3i s VAL 113 N -1.23 0.61 -0.14 3.17 1.01 0.17 -1.62 120.40 122.38 3h3i s VAL 113 Ca 0.16 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3h3i s VAL 113 Cb -0.09 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3h3i s VAL 113 CO 0.07 -0.03 -0.14 -0.75 0.00 0.00 0.00 175.10 174.25 3h3i s LYS 114 N -0.73 2.28 -0.13 2.72 2.20 -0.14 0.51 119.74 126.46 3h3i s LYS 114 Ca -0.01 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 3h3i s LYS 114 Cb -0.06 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 3h3i s LYS 114 CO 0.00 -0.20 -0.01 0.42 -0.36 0.00 0.00 175.35 175.20 3h3i s ILE 115 N 1.38 4.18 -0.00 5.43 -1.09 -1.26 -1.02 121.20 128.82 3h3i s ILE 115 Ca 0.03 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.20 3h3i s ILE 115 Cb -0.13 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.93 3h3i s ILE 115 CO -0.09 0.53 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.19 3h3i s THR 116 N -0.10 0.54 -1.31 2.92 2.01 -1.26 -1.65 115.64 116.79 3h3i s THR 116 Ca 0.04 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 3h3i s THR 116 Cb -0.13 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.92 3h3i s THR 116 CO 0.02 0.11 0.78 0.47 -0.69 0.00 0.00 174.62 175.31 3h3i n ASP 117 N 2.79 -1.69 -4.76 3.53 8.00 -1.26 -4.71 116.55 118.45 3h3i n ASP 117 Ca -0.14 -0.78 -0.40 0.00 0.71 0.00 0.00 54.79 54.19 3h3i n ASP 117 Cb 0.57 -4.24 -0.04 0.00 -0.02 0.00 0.00 41.12 37.39 3h3i n ASP 117 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3h3i s GLY 118 N -4.26 3.03 -0.16 0.44 0.00 0.50 -4.38 107.32 102.50 3h3i s GLY 118 Ca 0.06 0.89 -0.08 0.00 0.00 0.00 0.00 44.72 45.59 3h3i s GLY 118 CO 0.80 1.47 0.38 0.54 0.00 0.00 0.00 173.10 176.28 3h3i s LYS 119 N -1.58 0.35 -0.24 2.90 -0.14 0.18 -1.74 119.74 119.48 3h3i s LYS 119 Ca 0.46 0.73 -0.05 0.00 -1.36 0.00 0.00 55.97 55.76 3h3i s LYS 119 Cb -0.31 -0.04 -0.01 0.00 -1.68 0.00 0.00 37.83 35.79 3h3i s LYS 119 CO 0.40 -0.16 -0.01 0.08 -0.76 0.00 0.00 175.35 174.90 3h3i s VAL 120 N 1.36 3.59 -0.14 3.17 1.01 -0.50 -1.58 120.40 127.32 3h3i s VAL 120 Ca -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3h3i s VAL 120 Cb -0.09 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3h3i s VAL 120 CO -0.12 0.34 -0.06 -0.76 0.00 0.00 0.00 175.10 174.50 3h3i s LEU 121 N 1.49 3.12 -0.04 3.92 1.43 -0.41 -4.86 118.68 123.33 3h3i s LEU 121 Ca 0.05 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 3h3i s LEU 121 Cb -0.15 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3h3i s LEU 121 CO -0.01 0.20 1.37 -0.70 0.23 0.00 0.00 176.35 177.44 3h3i s GLU 122 N 0.16 4.27 -1.59 1.70 2.12 -1.26 -0.31 118.70 123.79 3h3i s GLU 122 Ca -0.03 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.19 3h3i s GLU 122 Cb -0.14 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.60 3h3i s GLU 122 CO 0.03 -0.61 0.00 1.63 -0.54 0.00 0.00 175.26 175.77 3h3i n LYS 123 N 5.77 -1.65 0.06 4.30 4.76 -1.24 -4.84 118.16 125.31 3h3i n LYS 123 Ca 0.13 0.89 -0.08 0.00 -2.87 0.00 0.00 58.31 56.39 3h3i n LYS 123 Cb 0.44 -5.36 -0.12 0.00 -1.84 0.00 0.00 35.03 28.15 3h3i n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h3i h ALA 124 N 0.70 0.34 -2.08 7.82 0.00 -1.52 -3.38 119.26 121.15 3h3i h ALA 124 Ca -0.37 -0.92 -0.45 0.00 0.00 0.00 0.00 54.91 53.17 3h3i h ALA 124 Cb 1.18 -0.13 0.08 0.00 0.00 0.00 0.00 17.79 18.92 3h3i h ALA 124 CO 0.48 1.24 0.17 0.00 0.00 0.00 0.00 179.25 181.14 3h3i s ALA 125 N -2.70 3.31 -0.09 0.00 0.00 0.07 -4.92 121.76 117.43 3h3i s ALA 125 Ca 0.00 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.86 3h3i s ALA 125 Cb 0.10 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.80 3h3i s ALA 125 CO 0.83 -1.28 -0.13 0.99 0.00 0.00 0.00 175.76 176.17 3h3i s THR 126 N -3.18 1.29 0.83 0.00 2.01 -1.26 -1.54 115.64 113.80 3h3i s THR 126 Ca 0.61 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 3h3i s THR 126 Cb -0.10 -1.20 0.09 0.00 0.01 0.00 0.00 72.50 71.31 3h3i s THR 126 CO 0.44 0.40 1.09 0.42 -0.69 0.00 0.00 174.62 176.28 3h3i s THR 127 N 0.98 2.94 0.55 -0.82 -4.23 -1.26 -4.89 115.64 108.91 3h3i s THR 127 Ca -0.08 0.31 0.22 0.00 -1.18 0.00 0.00 61.69 60.96 3h3i s THR 127 Cb -0.15 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.08 3h3i s THR 127 CO -0.01 -0.40 2.16 -0.65 -0.54 0.00 0.00 174.62 175.19 3h3i h PRO 128 N -1.28 0.00 -0.00 3.99 0.11 -1.89 -0.30 132.00 132.64 3h3i h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h3i h PRO 128 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h3i h PRO 128 CO 0.57 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.79 3h3i n SER 129 N -4.26 0.02 -1.23 -2.05 7.64 -1.26 -5.04 113.62 107.44 3h3i n SER 129 Ca -0.01 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.83 3h3i n SER 129 Cb 0.15 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3h3i n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h3i n GLY 130 N 0.99 -0.58 3.63 0.23 0.00 -0.13 -5.16 105.19 104.17 3h3i n GLY 130 Ca 0.23 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3h3i n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h3i s PRO 132 N -0.92 2.55 0.01 1.61 0.04 -1.26 -4.89 135.00 132.13 3h3i s PRO 132 Ca 0.00 -0.77 -0.13 0.00 0.04 0.00 0.00 61.00 60.14 3h3i s PRO 132 Cb 0.00 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 32.04 3h3i s PRO 132 CO 0.00 0.58 0.28 0.00 0.04 0.00 0.00 177.00 177.90 3h3i s ALA 133 N -1.12 -0.66 0.41 8.56 0.00 -0.59 -4.82 121.76 123.54 3h3i s ALA 133 Ca 0.20 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 3h3i s ALA 133 Cb -0.11 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 23.09 3h3i s ALA 133 CO 0.12 -0.32 1.15 -0.25 0.00 0.00 0.00 175.76 176.45 3h3i n ASP 134 N 0.98 1.94 -4.67 0.00 8.00 -1.26 -0.75 116.55 120.79 3h3i n ASP 134 Ca -0.20 1.09 -0.28 0.00 0.71 0.00 0.00 54.79 56.10 3h3i n ASP 134 Cb 0.57 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.17 3h3i n ASP 134 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3h3i s SER 135 N -0.61 4.86 -0.01 -2.24 1.04 0.58 -1.23 113.70 116.10 3h3i s SER 135 Ca 0.61 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.78 3h3i s SER 135 Cb -0.55 -1.08 -0.01 0.00 0.10 0.00 0.00 66.02 64.48 3h3i s SER 135 CO 0.58 0.13 -0.13 -0.51 0.98 0.00 0.00 173.24 174.28 3h3i s ILE 136 N -1.52 1.06 -0.07 -1.02 2.07 -0.46 -1.29 121.20 119.96 3h3i s ILE 136 Ca 0.26 -0.60 -0.09 0.00 -1.41 0.00 0.00 60.65 58.82 3h3i s ILE 136 Cb -0.10 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.62 3h3i s ILE 136 CO 0.18 0.28 0.23 -0.69 -1.91 0.00 0.00 174.94 173.03 3h3i s VAL 137 N -0.35 0.02 0.00 4.00 1.01 -0.61 -1.57 120.40 122.90 3h3i s VAL 137 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3h3i s VAL 137 Cb -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.95 3h3i s VAL 137 CO -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.01 3h3i n TYR 138 N 2.54 0.00 0.00 5.22 4.11 -0.20 -0.64 117.16 128.20 3h3i n TYR 138 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3h3i n TYR 138 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 3h3i n TYR 138 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 3h3i n VAL 140 N 0.00 0.00 -4.18 -3.48 3.14 0.08 -0.60 118.33 113.29 3h3i n VAL 140 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 3h3i n VAL 140 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 3h3i n VAL 140 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3h3i s GLN 141 N -1.49 0.73 -0.12 1.45 -0.21 -0.19 -1.13 119.66 118.70 3h3i s GLN 141 Ca 0.00 -0.79 0.03 0.00 0.02 0.00 0.00 55.36 54.61 3h3i s GLN 141 Cb 0.00 -0.66 0.01 0.00 1.00 0.00 0.00 33.01 33.36 3h3i s GLN 141 CO 0.00 0.15 -0.20 -0.06 -2.12 0.00 0.00 175.29 173.06 3h3i s PHE 142 N -1.12 2.37 0.15 0.91 0.08 -1.26 -0.96 117.98 118.14 3h3i s PHE 142 Ca -0.03 -1.10 0.33 0.00 0.12 0.00 0.00 56.93 56.25 3h3i s PHE 142 Cb -0.09 -1.63 1.67 0.00 -0.57 0.00 0.00 43.02 42.41 3h3i s PHE 142 CO 0.01 -0.50 1.99 0.38 -0.10 0.00 0.00 175.22 177.00 3h3i h ASP 143 N 7.15 0.00 -0.60 1.36 2.03 -1.70 -0.51 116.42 124.15 3h3i h ASP 143 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 3h3i h ASP 143 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3h3i h ASP 143 CO 0.51 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.82 3h3i n ASP 144 N -2.69 4.65 -4.50 4.15 5.75 -1.26 -4.82 116.55 117.82 3h3i n ASP 144 Ca -0.01 -2.49 -0.43 0.00 -0.01 0.00 0.00 54.79 51.85 3h3i n ASP 144 Cb 0.11 -0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 39.59 3h3i n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h3i s ASP 145 N -0.99 6.31 0.21 -1.12 2.15 -0.20 -4.90 116.67 118.13 3h3i s ASP 145 Ca 0.49 -0.50 0.19 0.00 0.43 0.00 0.00 52.55 53.16 3h3i s ASP 145 Cb 0.32 -2.39 0.88 0.00 -0.30 0.00 0.00 42.92 41.43 3h3i s ASP 145 CO 0.23 -1.11 1.59 -0.62 -0.17 0.00 0.00 175.17 175.08 3h3i n GLU 146 N 7.03 0.13 0.00 4.34 1.02 -1.26 -1.57 120.64 130.33 3h3i n GLU 146 Ca -0.01 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 3h3i n GLU 146 Cb 0.47 -1.80 0.38 0.00 -0.02 0.00 0.00 31.44 30.47 3h3i n GLU 146 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h3i n ASP 147 N -2.05 1.52 -2.88 1.62 8.00 -1.26 -4.96 116.55 116.53 3h3i n ASP 147 Ca 0.01 -1.32 -0.17 0.00 0.71 0.00 0.00 54.79 54.02 3h3i n ASP 147 Cb 0.14 0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3h3i n ASP 147 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3i n GLY 148 N 1.28 -0.50 3.79 0.44 0.00 -0.61 -4.94 105.19 104.66 3h3i n GLY 148 Ca 0.15 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3h3i n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3i s LEU 149 N -6.06 3.89 -0.21 0.99 1.02 -1.26 -5.04 118.68 112.01 3h3i s LEU 149 Ca 0.19 1.96 -0.11 0.00 0.02 0.00 0.00 54.13 56.18 3h3i s LEU 149 Cb -0.10 -4.50 -0.05 0.00 0.02 0.00 0.00 46.19 41.57 3h3i s LEU 149 CO 0.24 -0.74 0.19 -0.89 0.02 0.00 0.00 176.35 175.17 3h3i s THR 150 N -1.92 5.35 0.01 5.49 2.01 -1.26 -4.55 115.64 120.77 3h3i s THR 150 Ca 0.66 0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.98 3h3i s THR 150 Cb -0.18 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3h3i s THR 150 CO 0.21 0.38 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.18 3h3i s TYR 151 N 0.74 2.98 -0.33 4.92 1.51 -0.29 -2.01 117.35 124.88 3h3i s TYR 151 Ca 0.10 0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 56.14 3h3i s TYR 151 Cb -0.13 -1.63 0.05 0.00 -0.11 0.00 0.00 41.96 40.15 3h3i s TYR 151 CO 0.02 0.42 0.06 0.21 -1.11 0.00 0.00 175.55 175.16 3h3i s LYS 152 N -1.56 2.45 -0.18 -0.62 2.20 -0.17 -0.74 119.74 121.13 3h3i s LYS 152 Ca 0.19 -1.30 -0.16 0.00 -0.36 0.00 0.00 55.97 54.34 3h3i s LYS 152 Cb -0.11 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3h3i s LYS 152 CO 0.10 -0.69 0.39 0.08 -0.36 0.00 0.00 175.35 174.86 3h3i s VAL 153 N 1.30 5.22 -0.08 4.02 1.01 0.23 -1.31 120.40 130.79 3h3i s VAL 153 Ca -0.02 0.71 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 3h3i s VAL 153 Cb -0.20 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3h3i s VAL 153 CO 0.00 0.29 0.21 -0.55 0.00 0.00 0.00 175.10 175.05 3h3i s SER 154 N 0.88 -0.22 0.00 3.32 0.15 -0.78 -1.03 113.70 116.02 3h3i s SER 154 Ca 0.19 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.28 3h3i s SER 154 Cb -0.14 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 3h3i s SER 154 CO 0.07 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3h3i n GLY 155 N 3.06 0.92 3.18 9.45 0.00 -0.61 -1.10 105.19 120.09 3h3i n GLY 155 Ca -0.14 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 3h3i n GLY 155 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h3i s PHE 156 N -2.19 0.95 0.03 1.61 -0.71 -0.75 -1.36 117.98 115.56 3h3i s PHE 156 Ca 0.00 -0.93 -0.30 0.00 -1.04 0.00 0.00 56.93 54.66 3h3i s PHE 156 Cb 0.00 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.22 3h3i s PHE 156 CO 0.00 -0.15 1.20 0.50 -1.34 0.00 0.00 175.22 175.43 3h3i s ARG 157 N -3.85 4.41 0.23 1.99 3.52 -0.36 -1.20 118.95 123.69 3h3i s ARG 157 Ca 0.14 1.74 -0.32 0.00 -0.13 0.00 0.00 55.73 57.17 3h3i s ARG 157 Cb 0.05 -3.41 -0.12 0.00 -1.56 0.00 0.00 34.95 29.91 3h3i s ARG 157 CO -0.03 -0.31 1.67 -2.13 -0.81 0.00 0.00 175.30 173.68 3h3i n ARG 158 N 4.31 2.69 0.03 5.12 0.63 0.60 -4.81 116.66 125.23 3h3i n ARG 158 Ca 0.10 0.97 -0.05 0.00 -0.92 0.00 0.00 57.85 57.95 3h3i n ARG 158 Cb 0.46 -2.79 -0.10 0.00 0.45 0.00 0.00 32.46 30.49 3h3i n ARG 158 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 3h3i h THR 159 N 3.63 0.91 0.00 5.15 1.35 -1.90 -3.47 112.91 118.58 3h3i h THR 159 Ca -0.44 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 62.84 3h3i h THR 159 Cb 1.21 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 3h3i h THR 159 CO 0.90 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 3h3i n GLY 160 N 1.43 1.65 3.71 5.82 0.00 -1.26 -5.05 105.19 111.49 3h3i n GLY 160 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3h3i n GLY 160 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3i s PHE 161 N -2.38 3.52 0.54 1.61 0.08 -1.26 -4.94 117.98 115.15 3h3i s PHE 161 Ca 0.00 1.48 0.23 0.00 0.12 0.00 0.00 56.93 58.76 3h3i s PHE 161 Cb 0.00 -3.28 1.42 0.00 -0.57 0.00 0.00 43.02 40.59 3h3i s PHE 161 CO 0.00 -0.70 2.06 -1.00 -0.10 0.00 0.00 175.22 175.48 3h3i h PRO 162 N 6.86 0.00 0.00 0.24 0.13 -1.97 0.10 132.00 137.37 3h3i h PRO 162 Ca -0.40 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3h3i h PRO 162 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h3i h PRO 162 CO 0.79 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.55 3h3i h ALA 163 N 1.82 1.10 -0.57 -0.56 0.00 -2.02 -2.51 119.26 116.51 3h3i h ALA 163 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h3i h ALA 163 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h3i h ALA 163 CO -0.00 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 3h3i n ASP 164 N -3.24 3.54 -4.98 0.00 8.00 0.36 -4.56 116.55 115.68 3h3i n ASP 164 Ca -0.02 -2.01 -0.20 0.00 0.71 0.00 0.00 54.79 53.26 3h3i n ASP 164 Cb 0.13 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 3h3i n ASP 164 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3h3i s ASP 165 N -1.00 6.09 0.00 -2.24 1.01 -0.95 -4.85 116.67 114.73 3h3i s ASP 165 Ca 0.38 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.63 3h3i s ASP 165 Cb 0.20 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.62 3h3i s ASP 165 CO 0.26 -0.34 0.38 0.49 0.21 0.00 0.00 175.17 176.17