#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hou s ASN 3 N 0.00 -0.12 0.87 4.04 0.01 -1.26 -4.91 114.94 113.58 3hou s ASN 3 Ca 0.00 -0.26 -0.11 0.00 -0.71 0.00 0.00 52.86 51.78 3hou s ASN 3 Cb 0.00 0.38 0.12 0.00 0.41 0.00 0.00 41.25 42.15 3hou s ASN 3 CO 0.00 -0.67 1.09 -0.89 -1.51 0.00 0.00 177.10 175.13 3hou s THR 4 N -2.90 2.76 0.00 1.60 2.01 -1.26 -3.69 115.64 114.16 3hou s THR 4 Ca -0.03 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.22 3hou s THR 4 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.75 3hou s THR 4 CO -0.06 -0.32 0.09 0.18 -0.69 0.00 0.00 174.62 173.82 3hou n LEU 5 N -3.79 0.17 -3.63 4.42 4.77 -1.26 -4.73 117.00 112.95 3hou n LEU 5 Ca 0.07 -0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 55.75 3hou n LEU 5 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 3hou n LEU 5 CO 0.55 0.04 0.88 0.12 -1.33 0.00 0.00 177.39 177.66 3hou s PHE 6 N -0.11 -0.31 -0.15 -1.77 5.36 -1.26 -4.09 117.98 115.64 3hou s PHE 6 Ca 0.00 0.69 -0.18 0.00 -0.96 0.00 0.00 56.93 56.48 3hou s PHE 6 Cb 0.00 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.15 3hou s PHE 6 CO 0.00 -0.19 0.49 0.34 -1.46 0.00 0.00 175.22 174.40 3hou s ASP 7 N -0.28 -0.49 0.00 6.13 -1.08 -1.26 -2.77 116.67 116.92 3hou s ASP 7 Ca 0.03 0.85 0.00 0.00 -0.52 0.00 0.00 52.55 52.92 3hou s ASP 7 Cb -0.03 0.88 0.00 0.00 -1.46 0.00 0.00 42.92 42.30 3hou s ASP 7 CO -0.06 -0.25 0.00 -0.67 0.52 0.00 0.00 175.17 174.70 3hou n ASP 8 N 2.42 0.00 -4.46 -0.34 4.64 -1.10 -5.02 116.55 112.70 3hou n ASP 8 Ca -0.15 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 52.93 3hou n ASP 8 Cb 0.57 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.51 3hou n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hou s ILE 9 N -2.00 3.32 0.45 5.18 1.01 -1.26 -0.66 121.20 127.24 3hou s ILE 9 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3hou s ILE 9 Cb 0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3hou s ILE 9 CO 0.00 0.55 0.01 -0.36 0.00 0.00 0.00 174.94 175.15 3hou s PHE 10 N -0.15 2.17 -0.10 3.97 0.40 -0.39 -1.71 117.98 122.16 3hou s PHE 10 Ca 0.00 -0.84 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 3hou s PHE 10 Cb -0.13 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.78 3hou s PHE 10 CO 0.03 0.29 -0.03 -1.14 0.70 0.00 0.00 175.22 175.07 3hou s GLN 11 N -3.79 1.05 -0.66 0.44 0.74 -0.41 -1.91 119.66 115.12 3hou s GLN 11 Ca 0.22 -0.12 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 3hou s GLN 11 Cb 0.06 -1.37 -0.13 0.00 1.10 0.00 0.00 33.01 32.67 3hou s GLN 11 CO 0.11 -0.32 2.50 0.28 -0.55 0.00 0.00 175.29 177.31 3hou n VAL 12 N 5.04 -0.02 0.27 1.34 0.31 -1.09 -2.75 118.33 121.43 3hou n VAL 12 Ca -0.10 -0.44 -0.16 0.00 -0.01 0.00 0.00 64.34 63.63 3hou n VAL 12 Cb 0.50 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.53 3hou n VAL 12 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3hou h SER 13 N 15.93 -0.60 -4.79 4.52 0.87 0.69 0.17 113.55 130.34 3hou h SER 13 Ca -0.17 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 3hou h SER 13 Cb 1.29 0.16 -0.18 0.00 -0.44 0.00 0.00 62.40 63.23 3hou h SER 13 CO 1.23 -0.41 0.29 -0.70 -0.53 0.00 0.00 176.83 176.71 3hou s GLU 14 N -6.09 0.98 -0.13 2.24 2.12 -1.08 -4.59 118.70 112.16 3hou s GLU 14 Ca -0.16 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 3hou s GLU 14 Cb 0.04 0.46 -0.02 0.00 0.26 0.00 0.00 34.13 34.87 3hou s GLU 14 CO 0.63 -0.34 -0.09 0.08 -0.54 0.00 0.00 175.26 175.01 3hou s VAL 15 N -1.76 3.47 -0.08 3.70 1.01 -1.26 -2.35 120.40 123.14 3hou s VAL 15 Ca -0.06 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3hou s VAL 15 Cb -0.00 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3hou s VAL 15 CO 0.03 0.52 -0.07 -0.62 0.00 0.00 0.00 175.10 174.96 3hou s ASP 16 N 0.17 1.68 -0.91 3.32 2.15 0.07 -4.94 116.67 118.21 3hou s ASP 16 Ca -0.05 -0.23 -0.01 0.00 0.43 0.00 0.00 52.55 52.70 3hou s ASP 16 Cb -0.14 -0.69 0.26 0.00 -0.30 0.00 0.00 42.92 42.05 3hou s ASP 16 CO 0.04 -0.07 1.05 -0.81 -0.17 0.00 0.00 175.17 175.20 3hou n PRO 17 N 4.44 3.33 -2.23 4.34 -0.04 -1.26 0.53 135.00 144.10 3hou n PRO 17 Ca -0.18 -4.56 -0.32 0.00 -0.04 0.00 0.00 63.50 58.40 3hou n PRO 17 Cb 0.51 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 3hou n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hou s GLY 18 N -1.25 0.60 -0.85 0.55 0.00 -1.26 -3.63 107.32 101.48 3hou s GLY 18 Ca 0.32 -2.10 -0.05 0.00 0.00 0.00 0.00 44.72 42.89 3hou s GLY 18 CO -0.01 3.26 0.61 0.54 0.00 0.00 0.00 173.10 177.50 3hou n ARG 19 N 8.58 -4.27 -3.52 2.90 5.12 -1.26 -5.01 116.66 119.19 3hou n ARG 19 Ca 0.42 0.51 -0.29 0.00 -1.93 0.00 0.00 57.85 56.57 3hou n ARG 19 Cb 0.47 -4.57 -0.12 0.00 -1.16 0.00 0.00 32.46 27.08 3hou n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3hou s TYR 20 N -3.11 1.10 0.61 -1.55 4.12 -1.24 -5.02 117.35 112.26 3hou s TYR 20 Ca 0.30 -1.90 0.27 0.00 0.02 0.00 0.00 57.07 55.76 3hou s TYR 20 Cb -0.13 -1.18 1.21 0.00 -1.52 0.00 0.00 41.96 40.34 3hou s TYR 20 CO 0.38 -0.81 1.63 -0.91 0.02 0.00 0.00 175.55 175.86 3hou h ASN 21 N 6.82 0.00 0.00 2.29 4.21 -1.95 -2.58 115.58 124.36 3hou h ASN 21 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 3hou h ASN 21 Cb 0.95 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 3hou h ASN 21 CO 0.33 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.76 3hou n LYS 22 N -3.38 -0.19 -4.04 0.81 5.02 -1.26 -4.96 118.16 110.16 3hou n LYS 22 Ca 0.12 -0.29 -0.15 0.00 -2.02 0.00 0.00 58.31 55.97 3hou n LYS 22 Cb 0.97 -0.77 -0.15 0.00 -0.02 0.00 0.00 35.03 35.06 3hou n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hou s VAL 23 N -0.06 0.26 0.05 -0.18 1.01 -0.97 -2.18 120.40 118.33 3hou s VAL 23 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3hou s VAL 23 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3hou s VAL 23 CO 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 175.10 175.02 3hou s ARG 25 N -1.27 4.09 0.07 0.00 3.52 0.19 -0.12 118.95 125.43 3hou s ARG 25 Ca 0.04 -0.13 0.06 0.00 -0.13 0.00 0.00 55.73 55.57 3hou s ARG 25 Cb -0.09 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 3hou s ARG 25 CO 0.02 0.00 -0.07 0.42 -0.81 0.00 0.00 175.30 174.86 3hou s ILE 26 N 1.22 3.57 -0.06 4.11 1.01 0.26 -0.75 121.20 130.56 3hou s ILE 26 Ca 0.11 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3hou s ILE 26 Cb -0.14 -2.64 0.04 0.00 0.01 0.00 0.00 42.46 39.73 3hou s ILE 26 CO 0.06 0.19 0.13 -1.61 0.00 0.00 0.00 174.94 173.72 3hou s GLU 27 N -2.00 0.05 0.05 2.79 2.02 -0.99 0.61 118.70 121.23 3hou s GLU 27 Ca 0.21 0.41 -0.05 0.00 0.02 0.00 0.00 54.97 55.56 3hou s GLU 27 Cb -0.11 -0.24 -0.02 0.00 0.10 0.00 0.00 34.13 33.86 3hou s GLU 27 CO 0.13 -0.22 0.08 0.00 0.02 0.00 0.00 175.26 175.26 3hou s ALA 28 N 1.58 0.08 0.19 5.21 0.00 -0.84 0.13 121.76 128.10 3hou s ALA 28 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.19 3hou s ALA 28 Cb -0.12 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3hou s ALA 28 CO -0.05 -0.37 0.26 0.00 0.00 0.00 0.00 175.76 175.59 3hou s ALA 29 N -3.27 3.82 0.16 0.00 0.00 -1.11 -2.17 121.76 119.19 3hou s ALA 29 Ca 0.01 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 3hou s ALA 29 Cb 0.03 -1.61 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 3hou s ALA 29 CO -0.08 0.41 0.96 0.45 0.00 0.00 0.00 175.76 177.51 3hou s SER 30 N -3.49 7.54 -0.44 0.00 0.15 -0.95 -1.28 113.70 115.24 3hou s SER 30 Ca 0.33 1.87 -0.04 0.00 0.70 0.00 0.00 55.95 58.81 3hou s SER 30 Cb -0.10 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.65 3hou s SER 30 CO 0.27 0.01 2.84 0.41 1.20 0.00 0.00 173.24 177.97 3hou n THR 31 N 2.27 3.34 0.00 6.45 -1.04 -0.70 -4.48 114.28 120.12 3hou n THR 31 Ca 0.01 -2.89 0.00 0.00 -2.04 0.00 0.00 64.05 59.12 3hou n THR 31 Cb 0.48 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 3hou n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3hou n THR 32 N 1.04 0.00 -1.90 12.58 -1.04 -1.26 -4.94 114.28 118.75 3hou n THR 32 Ca 0.49 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.08 3hou n THR 32 Cb 0.58 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.06 3hou n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hou s GLN 33 N 1.57 4.20 -0.28 -2.82 1.11 -1.26 -4.84 119.66 117.35 3hou s GLN 33 Ca 0.00 2.40 0.02 0.00 0.01 0.00 0.00 55.36 57.79 3hou s GLN 33 Cb 0.00 -3.13 0.38 0.00 -1.01 0.00 0.00 33.01 29.25 3hou s GLN 33 CO 0.00 -0.60 1.59 -0.25 0.01 0.00 0.00 175.29 176.04 3hou n ASP 34 N 3.60 3.80 -0.02 5.90 8.00 -1.26 -3.12 116.55 133.45 3hou n ASP 34 Ca 0.13 -2.97 -0.03 0.00 0.71 0.00 0.00 54.79 52.63 3hou n ASP 34 Cb 0.38 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 3hou n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hou n GLN 35 N -0.40 2.09 -1.92 -1.24 6.02 -1.26 -4.98 117.38 115.69 3hou n GLN 35 Ca 0.35 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 57.01 3hou n GLN 35 Cb 1.12 -1.10 -0.04 0.00 1.02 0.00 0.00 30.24 31.25 3hou n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hou s LYS 37 N 7.40 3.16 -0.18 0.00 1.02 -1.25 -2.23 119.74 127.66 3hou s LYS 37 Ca 0.75 -0.87 -0.15 0.00 0.02 0.00 0.00 55.97 55.72 3hou s LYS 37 Cb -0.12 -2.78 0.05 0.00 -0.52 0.00 0.00 37.83 34.46 3hou s LYS 37 CO 0.17 0.05 0.48 -1.17 -0.92 0.00 0.00 175.35 173.96 3hou s LEU 38 N -4.22 0.04 -0.05 3.17 2.96 -0.92 -2.73 118.68 116.92 3hou s LEU 38 Ca 0.44 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 3hou s LEU 38 Cb -0.10 1.64 0.02 0.00 0.50 0.00 0.00 46.19 48.26 3hou s LEU 38 CO 0.32 -0.18 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.23 3hou s THR 39 N 0.57 0.61 -0.14 3.68 2.01 -0.43 -1.98 115.64 119.96 3hou s THR 39 Ca -0.03 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 3hou s THR 39 Cb -0.04 -0.64 0.04 0.00 0.01 0.00 0.00 72.50 71.87 3hou s THR 39 CO -0.03 0.25 0.36 -0.22 -0.69 0.00 0.00 174.62 174.29 3hou s LEU 40 N 1.07 0.38 -0.02 4.42 2.96 0.20 -0.33 118.68 127.36 3hou s LEU 40 Ca -0.08 0.75 -0.21 0.00 -0.22 0.00 0.00 54.13 54.37 3hou s LEU 40 Cb -0.14 1.20 -0.05 0.00 0.50 0.00 0.00 46.19 47.70 3hou s LEU 40 CO -0.01 -0.15 0.60 -1.81 -1.32 0.00 0.00 176.35 173.66 3hou s ASP 41 N 0.71 6.96 0.01 3.68 1.01 -0.57 0.89 116.67 129.36 3hou s ASP 41 Ca -0.04 1.15 0.03 0.00 0.71 0.00 0.00 52.55 54.39 3hou s ASP 41 Cb -0.05 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 3hou s ASP 41 CO -0.05 0.07 -0.09 -0.63 0.21 0.00 0.00 175.17 174.68 3hou s ILE 42 N -0.03 0.73 -0.99 0.77 1.09 0.83 -4.78 121.20 118.82 3hou s ILE 42 Ca 0.31 -0.57 -0.23 0.00 -1.10 0.00 0.00 60.65 59.06 3hou s ILE 42 Cb -0.18 -0.65 0.04 0.00 -1.06 0.00 0.00 42.46 40.61 3hou s ILE 42 CO 0.17 0.08 1.49 0.21 -0.10 0.00 0.00 174.94 176.79 3hou s ASN 43 N -0.55 6.34 0.00 3.58 3.84 -1.26 -1.62 114.94 125.26 3hou s ASN 43 Ca 0.01 -1.31 0.00 0.00 0.21 0.00 0.00 52.86 51.78 3hou s ASN 43 Cb -0.05 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 3hou s ASN 43 CO 0.00 -1.66 0.32 0.52 -2.79 0.00 0.00 177.10 173.49 3hou n VAL 44 N 6.96 0.00 -0.07 -5.21 0.31 -0.93 -2.34 118.33 117.06 3hou n VAL 44 Ca 0.32 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.56 3hou n VAL 44 Cb 0.50 -0.31 -0.07 0.00 -0.91 0.00 0.00 33.84 33.05 3hou n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hou n GLU 45 N 0.18 0.82 -0.38 5.55 2.13 -1.25 -3.90 120.64 123.78 3hou n GLU 45 Ca 0.00 0.06 0.11 0.00 0.66 0.00 0.00 57.16 57.99 3hou n GLU 45 Cb 0.15 -1.29 0.32 0.00 0.27 0.00 0.00 31.44 30.89 3hou n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hou n LEU 46 N -2.80 3.90 0.00 4.31 4.77 -0.99 -4.67 117.00 121.52 3hou n LEU 46 Ca -0.24 -1.95 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 3hou n LEU 46 Cb 0.80 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hou n LEU 46 CO 0.17 0.94 0.00 0.33 -1.33 0.00 0.00 177.39 177.50 3hou n PHE 47 N 1.55 0.00 -1.81 -1.77 7.35 -1.03 -4.96 117.46 116.78 3hou n PHE 47 Ca 0.24 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.58 3hou n PHE 47 Cb 0.63 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.51 3hou n PHE 47 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hou s PRO 48 N 0.00 2.70 -0.22 -7.13 0.02 -1.25 -4.09 135.00 125.04 3hou s PRO 48 Ca 0.00 1.77 -0.05 0.00 0.02 0.00 0.00 61.00 62.75 3hou s PRO 48 Cb 0.00 -1.90 0.11 0.00 0.02 0.00 0.00 34.50 32.73 3hou s PRO 48 CO 0.00 -1.40 0.39 0.08 -0.33 0.00 0.00 177.00 175.74 3hou s VAL 49 N -1.77 -0.62 -0.02 3.83 1.01 -1.26 -5.04 120.40 116.52 3hou s VAL 49 Ca 0.76 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 3hou s VAL 49 Cb -0.29 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3hou s VAL 49 CO 0.38 -0.02 0.10 0.00 0.00 0.00 0.00 175.10 175.55 3hou s ALA 50 N 2.58 3.67 0.39 5.51 0.00 -1.26 -4.84 121.76 127.80 3hou s ALA 50 Ca 0.06 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 3hou s ALA 50 Cb -0.14 -1.67 -0.13 0.00 0.00 0.00 0.00 23.12 21.18 3hou s ALA 50 CO -0.14 0.69 0.72 0.00 0.00 0.00 0.00 175.76 177.03 3hou n ALA 51 N 1.29 -1.01 -1.50 0.00 0.00 -1.26 -4.22 120.51 113.82 3hou n ALA 51 Ca -0.14 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hou n ALA 51 Cb 0.53 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3hou n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hou n GLN 52 N 0.51 0.00 -3.88 0.00 1.13 0.61 -4.97 117.38 110.78 3hou n GLN 52 Ca 0.11 0.50 -0.11 0.00 -1.94 0.00 0.00 57.00 55.56 3hou n GLN 52 Cb 0.37 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.13 3hou n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hou s ASP 53 N -1.91 0.04 -0.63 1.08 1.01 -1.26 -4.86 116.67 110.15 3hou s ASP 53 Ca 0.00 -0.24 -0.19 0.00 0.71 0.00 0.00 52.55 52.83 3hou s ASP 53 Cb 0.00 0.20 0.11 0.00 1.01 0.00 0.00 42.92 44.24 3hou s ASP 53 CO 0.00 -0.38 0.75 -0.94 0.21 0.00 0.00 175.17 174.81 3hou s SER 54 N -1.45 6.24 -0.10 0.27 1.04 -1.26 -2.67 113.70 115.76 3hou s SER 54 Ca -0.14 -1.50 -0.02 0.00 0.48 0.00 0.00 55.95 54.77 3hou s SER 54 Cb -0.07 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 3hou s SER 54 CO 0.01 -1.11 -0.02 -0.76 0.98 0.00 0.00 173.24 172.33 3hou s LEU 55 N 2.67 3.39 -0.39 2.42 1.43 -0.80 -4.70 118.68 122.71 3hou s LEU 55 Ca 0.14 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 3hou s LEU 55 Cb -0.22 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3hou s LEU 55 CO 0.05 0.31 0.37 -0.89 0.23 0.00 0.00 176.35 176.42 3hou s THR 56 N -0.48 5.16 0.21 5.49 2.01 -0.98 -1.27 115.64 125.79 3hou s THR 56 Ca 0.08 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 3hou s THR 56 Cb -0.12 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3hou s THR 56 CO 0.02 -0.27 0.41 -0.69 -0.69 0.00 0.00 174.62 173.41 3hou s VAL 57 N 1.97 5.17 0.17 3.82 1.01 0.16 -2.72 120.40 129.98 3hou s VAL 57 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 3hou s VAL 57 Cb -0.17 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3hou s VAL 57 CO 0.12 -0.17 0.28 0.41 0.00 0.00 0.00 175.10 175.74 3hou n THR 58 N -0.60 0.00 0.00 3.92 -1.04 -1.07 -2.70 114.28 112.80 3hou n THR 58 Ca -0.04 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 3hou n THR 58 Cb 0.53 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 3hou n THR 58 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hou n ILE 59 N -0.25 0.00 -0.31 12.58 5.41 -1.11 -3.86 119.36 131.81 3hou n ILE 59 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3hou n ILE 59 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.20 3hou n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hou n ALA 60 N -3.00 -0.92 -2.68 -1.39 0.00 -1.26 -4.28 120.51 106.98 3hou n ALA 60 Ca 0.00 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3hou n ALA 60 Cb 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 18.77 3hou n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hou n SER 61 N -1.59 6.97 0.00 0.00 3.41 -1.24 -1.95 113.62 119.21 3hou n SER 61 Ca 0.00 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 3hou n SER 61 Cb 0.08 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3hou n SER 61 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hou n SER 62 N -0.09 0.00 -1.30 4.04 2.88 -1.26 -4.32 113.62 113.58 3hou n SER 62 Ca 0.45 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.98 3hou n SER 62 Cb 0.28 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 3hou n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hou n LEU 63 N 0.00 0.04 0.04 2.46 4.77 -1.26 -4.84 117.00 118.21 3hou n LEU 63 Ca 0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 3hou n LEU 63 Cb 0.00 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hou n LEU 63 CO 0.00 0.99 0.00 0.59 -1.33 0.00 0.00 177.39 177.64 3hou n ASN 64 N 0.23 0.47 -3.21 -1.43 3.02 -1.26 -1.03 115.26 112.04 3hou n ASN 64 Ca -0.10 0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.38 3hou n ASN 64 Cb 0.93 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.93 3hou n ASN 64 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hou n THR 76 N -3.05 0.00 -2.83 3.41 -2.24 -1.26 -4.88 114.28 103.42 3hou n THR 76 Ca 0.00 -2.35 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 3hou n THR 76 Cb 0.00 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3hou n THR 76 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3hou n ARG 77 N -0.64 0.00 -1.65 -0.78 0.63 -1.26 -5.10 116.66 107.86 3hou n ARG 77 Ca 0.06 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.50 3hou n ARG 77 Cb 0.58 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.44 3hou n ARG 77 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3hou n SER 78 N 0.00 2.62 -4.77 6.15 2.88 -1.26 -4.89 113.62 114.35 3hou n SER 78 Ca 0.00 1.07 -0.37 0.00 -1.33 0.00 0.00 58.87 58.25 3hou n SER 78 Cb 0.00 -1.31 -0.02 0.00 -0.75 0.00 0.00 64.21 62.13 3hou n SER 78 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3hou s TRP 79 N 1.61 3.01 0.15 0.66 -0.00 -1.26 -5.06 118.94 118.05 3hou s TRP 79 Ca 0.85 1.57 0.11 0.00 -0.00 0.00 0.00 56.10 58.63 3hou s TRP 79 Cb -0.81 -3.30 -0.04 0.00 -0.00 0.00 0.00 33.47 29.32 3hou s TRP 79 CO 0.46 -1.22 -0.26 1.03 -0.00 0.00 0.00 176.95 176.97 3hou s ARG 80 N -2.61 1.46 0.00 5.86 0.52 -1.26 -5.15 118.95 117.77 3hou s ARG 80 Ca 0.61 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 3hou s ARG 80 Cb -0.27 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.31 3hou s ARG 80 CO 0.33 0.43 0.00 -2.30 0.02 0.00 0.00 175.30 173.78 3hou n PRO 81 N 0.68 1.54 0.00 3.54 -0.02 -1.26 -4.99 135.00 134.49 3hou n PRO 81 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3hou n PRO 81 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3hou n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hou n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.58 135.00 129.64 3hou n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hou n PRO 82 Cb 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 3hou n PRO 82 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hou n GLN 83 N 0.00 0.00 0.00 0.54 7.27 -1.26 -4.53 117.38 119.40 3hou n GLN 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hou n GLN 83 Cb 0.00 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.23 3hou n GLN 83 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hou n ALA 84 N 0.44 2.09 -0.37 1.69 0.00 -1.26 -3.87 120.51 119.24 3hou n ALA 84 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.78 3hou n ALA 84 Cb 0.00 -1.00 0.59 0.00 0.00 0.00 0.00 19.45 19.04 3hou n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hou n GLY 85 N 0.15 -0.74 2.56 0.00 0.00 -1.26 -0.95 105.19 104.94 3hou n GLY 85 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 46.02 46.47 3hou n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hou s ASP 86 N -4.43 3.18 0.31 1.61 3.68 -1.25 -5.09 116.67 114.67 3hou s ASP 86 Ca -0.08 -2.43 -0.06 0.00 2.13 0.00 0.00 52.55 52.11 3hou s ASP 86 Cb 0.31 -0.67 0.00 0.00 -1.45 0.00 0.00 42.92 41.11 3hou s ASP 86 CO 0.75 -0.28 0.48 -0.13 0.13 0.00 0.00 175.17 176.12 3hou s ARG 87 N 0.70 1.79 1.06 4.34 0.52 -0.13 -5.10 118.95 122.13 3hou s ARG 87 Ca 0.19 -1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 53.70 3hou s ARG 87 Cb -0.22 0.45 0.23 0.00 0.52 0.00 0.00 34.95 35.93 3hou s ARG 87 CO -0.01 -0.74 1.08 -1.12 0.02 0.00 0.00 175.30 174.53 3hou s SER 88 N -3.16 1.76 -0.39 0.23 0.01 -1.26 -5.02 113.70 105.87 3hou s SER 88 Ca 0.28 1.82 -0.03 0.00 1.31 0.00 0.00 55.95 59.32 3hou s SER 88 Cb -0.00 -2.43 0.20 0.00 0.21 0.00 0.00 66.02 64.00 3hou s SER 88 CO 0.16 -3.77 0.98 -1.48 0.41 0.00 0.00 173.24 169.54 3hou s LEU 89 N -6.98 -0.63 0.00 2.44 0.05 -1.23 -4.93 118.68 107.41 3hou s LEU 89 Ca 0.68 -0.68 0.00 0.00 0.05 0.00 0.00 54.13 54.18 3hou s LEU 89 Cb -0.24 0.82 0.00 0.00 -2.05 0.00 0.00 46.19 44.72 3hou s LEU 89 CO 0.62 -0.03 0.14 0.00 -0.55 0.00 0.00 176.35 176.53 3hou n ALA 90 N 2.88 1.60 0.42 1.48 0.00 -0.20 -3.59 120.51 123.09 3hou n ALA 90 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3hou n ALA 90 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3hou n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hou n ASP 91 N -0.38 0.18 -0.87 0.00 5.75 -1.26 -4.49 116.55 115.48 3hou n ASP 91 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 3hou n ASP 91 Cb 0.01 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3hou n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hou n ASP 92 N 0.01 0.21 -1.87 -1.12 8.00 -1.24 -4.64 116.55 115.91 3hou n ASP 92 Ca 0.00 -0.17 -0.04 0.00 0.71 0.00 0.00 54.79 55.28 3hou n ASP 92 Cb 0.04 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3hou n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hou n TYR 93 N 0.82 0.02 -1.28 1.24 4.02 -1.26 -4.90 117.16 115.82 3hou n TYR 93 Ca 0.00 -0.45 0.08 0.00 -0.01 0.00 0.00 57.90 57.53 3hou n TYR 93 Cb 0.04 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.51 3hou n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hou n ASP 94 N -1.99 2.05 0.00 7.72 8.00 -0.34 -4.95 116.55 127.04 3hou n ASP 94 Ca -0.01 -3.25 0.00 0.00 0.71 0.00 0.00 54.79 52.24 3hou n ASP 94 Cb 0.10 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3hou n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hou n TYR 95 N -1.26 0.00 -3.94 1.24 -0.00 -1.17 -4.89 117.16 107.15 3hou n TYR 95 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.78 3hou n TYR 95 Cb 0.67 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.84 3hou n TYR 95 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3hou s VAL 96 N 0.00 1.19 0.53 2.97 1.01 -1.26 -1.55 120.40 123.29 3hou s VAL 96 Ca 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3hou s VAL 96 Cb 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.22 3hou s VAL 96 CO 0.00 0.38 0.41 -0.04 0.00 0.00 0.00 175.10 175.84 3hou s MET 97 N 1.64 2.28 -0.09 2.72 -1.94 -0.47 -4.93 119.30 118.51 3hou s MET 97 Ca 0.05 -1.96 -0.06 0.00 -1.71 0.00 0.00 55.69 52.00 3hou s MET 97 Cb -0.13 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.61 3hou s MET 97 CO -0.09 -0.57 0.23 -0.47 -0.01 0.00 0.00 175.02 174.10 3hou s TYR 98 N -2.74 -0.27 0.00 -0.03 5.04 -1.26 -1.32 117.35 116.76 3hou s TYR 98 Ca 0.36 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 3hou s TYR 98 Cb -0.02 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.35 3hou s TYR 98 CO 0.22 -0.17 0.00 0.41 -1.34 0.00 0.00 175.55 174.67 3hou n GLY 99 N 3.58 2.68 3.21 8.97 0.00 -1.15 -4.41 105.19 118.07 3hou n GLY 99 Ca -0.19 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 3hou n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hou s THR 100 N -2.95 1.20 -0.20 2.61 2.01 0.74 -4.32 115.64 114.74 3hou s THR 100 Ca 0.00 -1.56 -0.16 0.00 0.31 0.00 0.00 61.69 60.28 3hou s THR 100 Cb 0.00 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 3hou s THR 100 CO 0.00 -0.36 0.42 0.00 -0.69 0.00 0.00 174.62 173.99 3hou s ALA 101 N -1.85 3.55 -0.19 7.40 0.00 -1.26 -0.19 121.76 129.23 3hou s ALA 101 Ca 0.04 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3hou s ALA 101 Cb -0.07 -2.67 -0.12 0.00 0.00 0.00 0.00 23.12 20.26 3hou s ALA 101 CO 0.02 -0.33 -0.16 2.48 0.00 0.00 0.00 175.76 177.78 3hou n TYR 102 N 4.53 0.00 -4.47 0.00 0.18 0.07 -4.82 117.16 112.66 3hou n TYR 102 Ca -0.08 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.50 3hou n TYR 102 Cb 0.51 -0.72 -0.14 0.00 -0.38 0.00 0.00 39.34 38.61 3hou n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3hou s LYS 103 N -2.37 0.99 -0.78 -3.48 2.20 -1.24 -4.98 119.74 110.08 3hou s LYS 103 Ca -0.25 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 3hou s LYS 103 Cb 0.06 -0.97 0.19 0.00 -1.51 0.00 0.00 37.83 35.60 3hou s LYS 103 CO 0.43 0.25 0.61 1.19 -0.36 0.00 0.00 175.35 177.48 3hou n PHE 104 N 2.36 3.61 -2.32 4.03 3.01 -1.26 0.10 117.46 126.98 3hou n PHE 104 Ca -0.16 -4.24 -0.35 0.00 1.01 0.00 0.00 57.45 53.71 3hou n PHE 104 Cb 0.55 -0.80 -0.01 0.00 -0.01 0.00 0.00 39.48 39.21 3hou n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3hou s GLU 105 N -1.50 3.46 -0.77 -1.08 2.12 0.29 -4.89 118.70 116.33 3hou s GLU 105 Ca 0.26 1.55 -0.03 0.00 0.36 0.00 0.00 54.97 57.11 3hou s GLU 105 Cb -0.04 -2.03 0.19 0.00 0.26 0.00 0.00 34.13 32.51 3hou s GLU 105 CO -0.15 -0.75 0.63 -1.21 -0.54 0.00 0.00 175.26 173.24 3hou s GLU 106 N -3.28 2.98 0.00 4.30 2.02 -1.26 -1.35 118.70 122.11 3hou s GLU 106 Ca 0.71 -2.89 -0.00 0.00 0.02 0.00 0.00 54.97 52.81 3hou s GLU 106 Cb -0.22 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.10 3hou s GLU 106 CO 0.25 -1.23 0.58 0.28 0.02 0.00 0.00 175.26 175.16 3hou n VAL 107 N 2.95 0.37 -0.66 2.63 0.31 0.34 -4.85 118.33 119.42 3hou n VAL 107 Ca 0.15 -0.14 0.08 0.00 -0.01 0.00 0.00 64.34 64.42 3hou n VAL 107 Cb 0.38 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 3hou n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hou n SER 108 N 2.32 -3.64 0.00 4.52 3.41 -1.25 -4.42 113.62 114.56 3hou n SER 108 Ca 0.03 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3hou n SER 108 Cb 0.10 -2.26 0.00 0.00 -0.26 0.00 0.00 64.21 61.79 3hou n SER 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hou n LYS 109 N -2.23 0.00 -1.10 4.33 4.81 -1.26 -1.38 118.16 121.33 3hou n LYS 109 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 3hou n LYS 109 Cb 0.57 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.60 3hou n LYS 109 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3hou n ASP 110 N 10.77 -0.06 -4.33 3.14 5.75 -1.26 -5.06 116.55 125.50 3hou n ASP 110 Ca 0.00 -1.90 -0.41 0.00 -0.01 0.00 0.00 54.79 52.46 3hou n ASP 110 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3hou n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hou s LEU 111 N 0.00 5.14 0.06 -2.12 1.43 -0.48 -4.64 118.68 118.08 3hou s LEU 111 Ca 0.13 -1.32 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 3hou s LEU 111 Cb 0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3hou s LEU 111 CO -0.06 -0.52 0.16 -0.51 0.23 0.00 0.00 176.35 175.65 3hou s ILE 112 N 1.51 5.10 -0.02 -0.59 1.10 -1.18 -0.50 121.20 126.62 3hou s ILE 112 Ca 0.03 -0.50 0.03 0.00 -0.51 0.00 0.00 60.65 59.70 3hou s ILE 112 Cb -0.22 -3.47 -0.00 0.00 0.15 0.00 0.00 42.46 38.92 3hou s ILE 112 CO 0.04 0.15 -0.10 0.00 -2.11 0.00 0.00 174.94 172.93 3hou s ALA 113 N -1.45 0.86 0.05 1.50 0.00 -0.46 -2.81 121.76 119.44 3hou s ALA 113 Ca 0.32 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.99 3hou s ALA 113 Cb -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 3hou s ALA 113 CO 0.25 0.17 -0.23 0.14 0.00 0.00 0.00 175.76 176.10 3hou s VAL 114 N -0.00 2.44 -0.11 0.00 -7.23 -1.07 -0.55 120.40 113.88 3hou s VAL 114 Ca 0.00 -1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3hou s VAL 114 Cb -0.06 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 3hou s VAL 114 CO 0.00 0.35 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.74 3hou s TYR 115 N -0.87 2.90 -0.02 2.82 1.51 0.11 -1.93 117.35 121.88 3hou s TYR 115 Ca 0.13 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 3hou s TYR 115 Cb -0.10 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 3hou s TYR 115 CO 0.04 0.04 -0.16 0.71 -1.11 0.00 0.00 175.55 175.06 3hou s TYR 116 N -0.09 1.49 -0.08 2.71 1.51 0.09 -0.75 117.35 122.23 3hou s TYR 116 Ca 0.00 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3hou s TYR 116 Cb -0.13 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 3hou s TYR 116 CO 0.03 -0.04 -0.19 0.45 -1.11 0.00 0.00 175.55 174.69 3hou s SER 117 N -0.34 2.55 -0.85 2.29 0.15 0.73 -0.16 113.70 118.08 3hou s SER 117 Ca 0.05 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 3hou s SER 117 Cb -0.07 -1.15 0.21 0.00 -1.71 0.00 0.00 66.02 63.30 3hou s SER 117 CO -0.00 0.11 0.72 -0.36 1.20 0.00 0.00 173.24 174.91 3hou s PHE 118 N 0.45 3.82 -1.54 3.44 2.99 0.29 -0.18 117.98 127.25 3hou s PHE 118 Ca -0.17 -3.05 -0.07 0.00 0.00 0.00 0.00 56.93 53.65 3hou s PHE 118 Cb -0.17 -3.17 0.06 0.00 0.00 0.00 0.00 43.02 39.74 3hou s PHE 118 CO 0.07 -0.72 0.51 0.41 -0.00 0.00 0.00 175.22 175.48 3hou n GLY 119 N 2.37 -0.29 0.00 4.36 0.00 -1.26 -2.16 105.19 108.21 3hou n GLY 119 Ca 0.20 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3hou n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hou n GLY 120 N -1.84 3.16 3.65 -0.02 0.00 -1.26 -5.05 105.19 103.84 3hou n GLY 120 Ca -0.17 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 3hou n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hou s LEU 121 N 0.00 4.19 0.67 0.99 1.43 -0.92 -4.99 118.68 120.06 3hou s LEU 121 Ca 0.00 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.10 3hou s LEU 121 Cb 0.00 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.80 3hou s LEU 121 CO 0.00 -0.96 0.93 -0.76 0.23 0.00 0.00 176.35 175.78 3hou s LEU 122 N 4.18 3.02 -0.26 1.79 1.43 -1.26 0.11 118.68 127.69 3hou s LEU 122 Ca 0.69 -0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 52.98 3hou s LEU 122 Cb -0.29 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.23 3hou s LEU 122 CO 0.26 -1.70 1.11 -0.32 0.23 0.00 0.00 176.35 175.93 3hou s MET 123 N -4.98 0.43 -0.02 1.70 -2.45 0.78 -1.51 119.30 113.25 3hou s MET 123 Ca 0.65 0.39 0.03 0.00 -1.25 0.00 0.00 55.69 55.52 3hou s MET 123 Cb -0.05 0.21 -0.00 0.00 1.25 0.00 0.00 34.83 36.23 3hou s MET 123 CO 0.43 -0.08 -0.12 0.50 1.05 0.00 0.00 175.02 176.80 3hou s ARG 124 N -0.13 1.07 0.25 4.11 3.52 0.55 -0.73 118.95 127.58 3hou s ARG 124 Ca 0.03 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.29 3hou s ARG 124 Cb -0.04 -1.00 -0.05 0.00 -1.56 0.00 0.00 34.95 32.29 3hou s ARG 124 CO -0.06 0.21 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.39 3hou s LEU 125 N -0.10 2.49 0.20 -0.88 2.96 -0.81 -1.32 118.68 121.22 3hou s LEU 125 Ca 0.01 -1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 52.67 3hou s LEU 125 Cb -0.07 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 46.00 3hou s LEU 125 CO 0.00 -0.29 0.40 -1.61 -1.32 0.00 0.00 176.35 173.53 3hou s GLU 126 N -3.71 1.33 0.00 1.98 2.02 -1.10 -2.59 118.70 116.63 3hou s GLU 126 Ca 0.27 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.14 3hou s GLU 126 Cb 0.02 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.69 3hou s GLU 126 CO 0.10 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.26 3hou n GLY 127 N -0.30 0.75 0.00 -1.39 0.00 -1.12 -3.82 105.19 99.30 3hou n GLY 127 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3hou n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hou n ASN 128 N 0.00 0.00 0.00 1.61 4.05 -1.26 -3.11 115.26 116.55 3hou n ASN 128 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3hou n ASN 128 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3hou n ASN 128 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hou n TYR 129 N 0.00 0.00 -1.00 1.20 0.18 -1.26 -4.82 117.16 111.46 3hou n TYR 129 Ca 0.00 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 3hou n TYR 129 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3hou n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3hou n ARG 130 N 0.00 1.88 0.05 -3.48 3.00 -1.26 -4.48 116.66 112.37 3hou n ARG 130 Ca 0.00 -1.57 0.02 0.00 -0.01 0.00 0.00 57.85 56.29 3hou n ARG 130 Cb 0.00 -1.70 0.37 0.00 0.00 0.00 0.00 32.46 31.13 3hou n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3hou h ASN 131 N 1.87 0.39 0.00 0.55 2.35 -1.95 -2.37 115.58 116.41 3hou h ASN 131 Ca 0.28 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hou h ASN 131 Cb 0.91 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3hou h ASN 131 CO 0.69 0.43 -0.12 0.18 -1.65 0.00 0.00 177.43 176.96 3hou n LEU 132 N -4.34 2.12 0.00 1.61 4.77 -1.26 -4.89 117.00 115.00 3hou n LEU 132 Ca 0.01 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.06 3hou n LEU 132 Cb 0.20 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3hou n LEU 132 CO 0.37 0.73 0.00 0.59 -1.33 0.00 0.00 177.39 177.75 3hou n ASN 133 N -1.23 0.00 -4.07 -1.43 3.02 -0.94 -4.91 115.26 105.70 3hou n ASN 133 Ca 0.14 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 3hou n ASN 133 Cb 0.66 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.68 3hou n ASN 133 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hou n ASN 134 N -1.74 1.07 -4.66 6.41 3.02 -0.94 -4.89 115.26 113.52 3hou n ASN 134 Ca 0.00 -2.44 -0.35 0.00 -0.03 0.00 0.00 54.58 51.76 3hou n ASN 134 Cb 0.00 -1.13 0.09 0.00 -0.61 0.00 0.00 39.78 38.13 3hou n ASN 134 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hou n LEU 135 N 14.54 4.31 0.00 3.41 4.77 -1.26 -4.89 117.00 137.88 3hou n LEU 135 Ca 0.42 0.68 0.16 0.00 -0.03 0.00 0.00 56.01 57.24 3hou n LEU 135 Cb 0.44 -1.47 0.93 0.00 -2.33 0.00 0.00 43.42 40.99 3hou n LEU 135 CO 0.86 -1.72 1.10 0.29 -1.33 0.00 0.00 177.39 176.58 3hou n LYS 136 N -2.21 0.94 -0.97 3.23 4.01 -1.26 -4.91 118.16 116.99 3hou n LYS 136 Ca 0.14 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.61 3hou n LYS 136 Cb 0.49 -1.50 0.13 0.00 -0.51 0.00 0.00 35.03 33.64 3hou n LYS 136 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hou n GLN 137 N -1.03 -0.03 -0.29 1.97 10.64 -1.26 -4.65 117.38 122.74 3hou n GLN 137 Ca 0.23 0.06 -0.06 0.00 -1.83 0.00 0.00 57.00 55.40 3hou n GLN 137 Cb 0.12 -2.28 0.06 0.00 -0.86 0.00 0.00 30.24 27.29 3hou n GLN 137 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 3hou h GLU 138 N -1.19 1.18 -6.18 2.61 4.22 -1.90 -3.35 114.58 109.97 3hou h GLU 138 Ca -0.45 -0.22 -0.53 0.00 0.08 0.00 0.00 59.36 58.24 3hou h GLU 138 Cb 1.29 -0.19 0.24 0.00 0.50 0.00 0.00 28.75 30.60 3hou h GLU 138 CO 0.43 0.96 -1.75 0.09 -2.18 0.00 0.00 179.01 176.56 3hou n ASN 139 N -4.28 -4.55 0.00 1.04 3.02 -1.26 -3.94 115.26 105.28 3hou n ASN 139 Ca 0.07 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3hou n ASN 139 Cb 0.19 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 3hou n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hou n ALA 140 N -3.00 0.00 -2.71 5.41 0.00 -1.26 -4.65 120.51 114.30 3hou n ALA 140 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3hou n ALA 140 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 3hou n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hou s TYR 141 N 0.00 3.49 -0.02 0.00 1.51 -0.82 -2.93 117.35 118.59 3hou s TYR 141 Ca 0.00 0.66 -0.06 0.00 -1.01 0.00 0.00 57.07 56.66 3hou s TYR 141 Cb 0.00 -2.35 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 3hou s TYR 141 CO 0.00 0.28 0.23 -1.17 -1.11 0.00 0.00 175.55 173.78 3hou s LEU 142 N 0.31 4.38 0.04 -1.29 2.96 -0.44 -4.05 118.68 120.60 3hou s LEU 142 Ca 0.18 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 3hou s LEU 142 Cb -0.13 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 3hou s LEU 142 CO 0.05 0.28 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.53 3hou s LEU 143 N -1.65 2.27 -0.14 -0.68 1.02 -1.25 -1.36 118.68 116.89 3hou s LEU 143 Ca 0.25 -0.57 -0.07 0.00 0.02 0.00 0.00 54.13 53.77 3hou s LEU 143 Cb -0.13 -0.15 0.06 0.00 0.02 0.00 0.00 46.19 45.99 3hou s LEU 143 CO 0.14 -0.22 0.32 -0.63 0.02 0.00 0.00 176.35 175.98 3hou s ILE 144 N -1.48 -0.13 0.12 -0.59 1.01 -0.59 -2.59 121.20 116.94 3hou s ILE 144 Ca -0.09 0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.77 3hou s ILE 144 Cb -0.09 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 3hou s ILE 144 CO 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 174.94 174.83 3hou s ARG 145 N 1.56 1.08 0.00 2.79 1.70 -1.10 -1.20 118.95 123.78 3hou s ARG 145 Ca -0.07 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 53.98 3hou s ARG 145 Cb -0.10 -1.14 0.00 0.00 -0.57 0.00 0.00 34.95 33.14 3hou s ARG 145 CO -0.10 0.24 0.00 -2.13 -1.08 0.00 0.00 175.30 172.23