#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dup s MET 2 N 0.00 3.03 -0.17 2.12 1.00 -1.26 -5.10 119.30 118.92 1dup s MET 2 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 55.69 55.36 1dup s MET 2 Cb 0.00 -2.42 0.06 0.00 0.00 0.00 0.00 34.83 32.47 1dup s MET 2 CO 0.00 -0.46 0.43 0.15 0.00 0.00 0.00 175.02 175.14 1dup s LYS 3 N -4.76 0.42 0.12 2.03 -0.14 -1.26 -5.14 119.74 111.00 1dup s LYS 3 Ca 0.51 0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 55.60 1dup s LYS 3 Cb -0.10 0.02 -0.06 0.00 -1.68 0.00 0.00 37.83 36.01 1dup s LYS 3 CO 0.42 -0.14 1.02 0.21 -0.76 0.00 0.00 175.35 176.09 1dup s LYS 4 N 1.25 4.64 -0.06 1.68 2.47 -1.26 -5.04 119.74 123.42 1dup s LYS 4 Ca -0.08 1.55 0.02 0.00 -1.56 0.00 0.00 55.97 55.90 1dup s LYS 4 Cb -0.07 -3.35 0.01 0.00 -1.46 0.00 0.00 37.83 32.95 1dup s LYS 4 CO -0.11 0.12 -0.12 0.42 0.16 0.00 0.00 175.35 175.81 1dup s ILE 5 N 0.09 1.13 0.19 5.43 -1.09 -1.26 -5.05 121.20 120.64 1dup s ILE 5 Ca 0.49 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 1dup s ILE 5 Cb -0.25 -1.03 -0.08 0.00 -1.58 0.00 0.00 42.46 39.52 1dup s ILE 5 CO 0.31 0.35 1.14 -1.81 -1.23 0.00 0.00 174.94 173.70 1dup s ASP 6 N 0.60 7.19 -0.00 3.58 1.01 -1.24 -4.94 116.67 122.87 1dup s ASP 6 Ca -0.13 2.17 0.03 0.00 0.71 0.00 0.00 52.55 55.33 1dup s ASP 6 Cb -0.15 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 1dup s ASP 6 CO 0.03 -0.28 -0.09 0.54 0.21 0.00 0.00 175.17 175.58 1dup s VAL 7 N -0.25 0.74 -0.03 -1.27 0.11 -1.26 -1.48 120.40 116.96 1dup s VAL 7 Ca 0.50 -0.43 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1dup s VAL 7 Cb -0.31 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1dup s VAL 7 CO 0.36 0.19 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.39 1dup s LYS 8 N -0.28 1.66 -0.23 1.54 2.20 -0.18 -5.01 119.74 119.45 1dup s LYS 8 Ca 0.03 -0.64 -0.17 0.00 -0.36 0.00 0.00 55.97 54.83 1dup s LYS 8 Cb -0.04 -1.51 -0.03 0.00 -1.51 0.00 0.00 37.83 34.73 1dup s LYS 8 CO -0.00 0.32 0.45 0.42 -0.36 0.00 0.00 175.35 176.18 1dup s ILE 9 N -0.19 5.14 -0.13 5.43 1.01 -1.26 -1.49 121.20 129.70 1dup s ILE 9 Ca 0.01 0.79 0.20 0.00 0.00 0.00 0.00 60.65 61.65 1dup s ILE 9 Cb -0.09 -3.78 -0.29 0.00 0.01 0.00 0.00 42.46 38.30 1dup s ILE 9 CO 0.01 0.18 0.48 0.18 0.00 0.00 0.00 174.94 175.78 1dup n LEU 10 N 4.95 0.11 -4.02 2.97 4.77 0.97 -4.93 117.00 121.81 1dup n LEU 10 Ca -0.06 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.61 1dup n LEU 10 Cb 0.50 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.43 1dup n LEU 10 CO 0.40 0.03 -0.47 -0.62 -1.33 0.00 0.00 177.39 175.40 1dup s ASP 11 N -4.09 1.88 0.40 -1.43 -1.08 -1.10 -5.00 116.67 106.25 1dup s ASP 11 Ca -0.05 -0.31 0.27 0.00 -0.52 0.00 0.00 52.55 51.94 1dup s ASP 11 Cb 0.13 -0.86 1.43 0.00 -1.46 0.00 0.00 42.92 42.16 1dup s ASP 11 CO 0.81 0.02 1.83 1.55 0.52 0.00 0.00 175.17 179.91 1dup h PRO 12 N 7.10 0.00 0.00 4.34 0.13 -1.92 -1.97 132.00 139.69 1dup h PRO 12 Ca -0.30 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1dup h PRO 12 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1dup h PRO 12 CO 0.47 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 178.00 1dup h ARG 13 N 0.00 0.00 -6.47 0.86 3.08 -1.97 -3.41 114.38 106.47 1dup h ARG 13 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1dup h ARG 13 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.13 1dup h ARG 13 CO 0.00 0.24 0.83 0.08 -1.07 0.00 0.00 179.97 180.05 1dup s VAL 14 N -3.34 3.34 0.00 2.04 1.01 -0.74 -0.15 120.40 122.57 1dup s VAL 14 Ca 0.03 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1dup s VAL 14 Cb 0.08 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1dup s VAL 14 CO 0.67 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1dup n GLY 15 N 3.67 2.15 0.33 4.51 0.00 0.19 -4.83 105.19 111.21 1dup n GLY 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1dup n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dup n LYS 16 N -2.00 0.00 0.20 1.61 3.00 -0.61 -4.74 118.16 115.62 1dup n LYS 16 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1dup n LYS 16 Cb 0.00 -0.30 0.28 0.00 0.00 0.00 0.00 35.03 35.00 1dup n LYS 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1dup h GLU 17 N 0.00 0.00 -2.43 1.64 5.08 -0.85 -3.45 114.58 114.58 1dup h GLU 17 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1dup h GLU 17 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1dup h GLU 17 CO 0.00 0.24 -0.05 -0.59 -1.00 0.00 0.00 179.01 177.61 1dup s PHE 18 N -3.33 -0.54 0.85 4.33 -0.12 -1.22 -5.02 117.98 112.92 1dup s PHE 18 Ca 0.03 1.19 -0.12 0.00 -0.05 0.00 0.00 56.93 57.98 1dup s PHE 18 Cb 0.08 0.23 0.10 0.00 -0.63 0.00 0.00 43.02 42.80 1dup s PHE 18 CO 0.67 -0.38 1.12 -1.25 -0.05 0.00 0.00 175.22 175.33 1dup s PRO 19 N -0.32 1.65 0.61 1.99 0.04 -1.26 0.57 135.00 138.28 1dup s PRO 19 Ca -0.05 0.44 -0.15 0.00 0.04 0.00 0.00 61.00 61.28 1dup s PRO 19 Cb -0.03 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1dup s PRO 19 CO 0.03 -1.88 1.05 -0.51 0.04 0.00 0.00 177.00 175.73 1dup s LEU 20 N -5.88 3.43 0.36 -3.56 1.43 -1.26 -4.58 118.68 108.63 1dup s LEU 20 Ca 0.62 1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 1dup s LEU 20 Cb -0.14 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.45 1dup s LEU 20 CO 0.53 -1.16 1.39 -2.16 0.23 0.00 0.00 176.35 175.18 1dup s PRO 21 N -4.28 4.20 0.01 1.29 0.04 -1.26 -5.03 135.00 129.96 1dup s PRO 21 Ca 0.62 2.37 -0.06 0.00 0.04 0.00 0.00 61.00 63.97 1dup s PRO 21 Cb -0.15 -2.99 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 1dup s PRO 21 CO 0.40 -0.38 0.10 -0.08 0.04 0.00 0.00 177.00 177.08 1dup s THR 22 N -1.14 0.09 -0.06 1.26 -1.32 -1.26 -5.05 115.64 108.15 1dup s THR 22 Ca 0.51 -0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 59.96 1dup s THR 22 Cb -0.43 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 1dup s THR 22 CO 0.57 -0.40 1.31 -0.31 -2.21 0.00 0.00 174.62 173.58 1dup s TYR 23 N -1.39 2.91 0.21 9.09 2.02 -1.26 -4.49 117.35 124.45 1dup s TYR 23 Ca -0.15 0.96 -0.09 0.00 -0.37 0.00 0.00 57.07 57.43 1dup s TYR 23 Cb -0.08 -3.55 0.28 0.00 -0.40 0.00 0.00 41.96 38.20 1dup s TYR 23 CO 0.01 -1.95 1.78 0.00 -1.57 0.00 0.00 175.55 173.82 1dup h ALA 24 N 7.91 0.89 -2.33 3.71 0.00 -1.95 -3.45 119.26 124.04 1dup h ALA 24 Ca -0.34 0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.26 1dup h ALA 24 Cb 1.15 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1dup h ALA 24 CO 0.91 -0.04 -0.61 0.95 0.00 0.00 0.00 179.25 180.46 1dup s THR 25 N -6.08 0.54 -1.13 0.00 -4.23 -1.26 -5.03 115.64 98.44 1dup s THR 25 Ca -0.13 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.65 1dup s THR 25 Cb 0.17 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.68 1dup s THR 25 CO 0.76 0.00 1.87 -1.54 -0.54 0.00 0.00 174.62 175.16 1dup n SER 26 N -0.50 0.00 -1.01 3.99 3.41 -1.26 -2.50 113.62 115.75 1dup n SER 26 Ca 0.00 0.31 0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1dup n SER 26 Cb 0.66 -0.43 0.23 0.00 -0.26 0.00 0.00 64.21 64.41 1dup n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dup n GLY 27 N 1.15 2.41 3.75 5.00 0.00 -1.26 -4.98 105.19 111.26 1dup n GLY 27 Ca 0.08 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1dup n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dup s SER 28 N -1.05 7.18 -0.06 1.61 0.01 -1.04 -4.96 113.70 115.39 1dup s SER 28 Ca 0.36 2.29 0.14 0.00 1.31 0.00 0.00 55.95 60.05 1dup s SER 28 Cb 0.19 -2.62 -0.23 0.00 0.21 0.00 0.00 66.02 63.57 1dup s SER 28 CO 0.25 -0.24 0.57 0.00 0.41 0.00 0.00 173.24 174.24 1dup n ALA 29 N 1.55 1.54 -2.50 1.44 0.00 -1.26 -4.96 120.51 116.32 1dup n ALA 29 Ca 0.01 -0.84 -0.24 0.00 0.00 0.00 0.00 53.44 52.36 1dup n ALA 29 Cb 0.45 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 1dup n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dup s GLY 30 N -5.14 2.05 -0.13 0.00 0.00 -1.26 -4.59 107.32 98.26 1dup s GLY 30 Ca -0.05 -2.02 -0.02 0.00 0.00 0.00 0.00 44.72 42.62 1dup s GLY 30 CO 0.83 -1.95 -0.04 1.08 0.00 0.00 0.00 173.10 173.01 1dup s LEU 31 N -3.54 3.25 0.20 0.66 1.43 -0.39 -4.62 118.68 115.67 1dup s LEU 31 Ca 0.32 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1dup s LEU 31 Cb 0.04 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 1dup s LEU 31 CO 0.15 0.24 0.86 -1.81 0.23 0.00 0.00 176.35 176.01 1dup s ASP 32 N -0.06 7.52 -0.05 2.29 1.01 -1.26 -0.74 116.67 125.38 1dup s ASP 32 Ca 0.01 1.80 -0.01 0.00 0.71 0.00 0.00 52.55 55.07 1dup s ASP 32 Cb -0.13 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1dup s ASP 32 CO 0.03 0.18 0.01 -0.76 0.21 0.00 0.00 175.17 174.84 1dup s LEU 33 N -1.17 3.57 0.17 1.23 1.43 0.01 -4.66 118.68 119.27 1dup s LEU 33 Ca 0.38 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.66 1dup s LEU 33 Cb -0.25 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1dup s LEU 33 CO 0.29 0.34 -0.07 -0.13 0.23 0.00 0.00 176.35 177.01 1dup s ARG 34 N -1.15 2.15 -0.17 1.70 0.52 -1.26 -1.39 118.95 119.35 1dup s ARG 34 Ca 0.16 -1.21 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 1dup s ARG 34 Cb -0.11 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 1dup s ARG 34 CO 0.06 0.45 1.42 0.00 0.02 0.00 0.00 175.30 177.24 1dup s ALA 35 N -1.67 3.54 -0.97 2.13 0.00 0.05 -4.58 121.76 120.27 1dup s ALA 35 Ca 0.25 0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.59 1dup s ALA 35 Cb -0.09 -3.71 0.21 0.00 0.00 0.00 0.00 23.12 19.53 1dup s ALA 35 CO 0.16 -1.44 1.01 0.00 0.00 0.00 0.00 175.76 175.48 1dup s LEU 37 N 0.48 2.33 -0.04 0.00 1.43 -1.26 -4.47 118.68 117.15 1dup s LEU 37 Ca 0.27 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 1dup s LEU 37 Cb -0.08 -1.04 -0.31 0.00 0.03 0.00 0.00 46.19 44.79 1dup s LEU 37 CO -0.08 0.10 0.71 0.78 0.23 0.00 0.00 176.35 178.10 1dup h ASN 38 N 3.87 0.61 -4.34 2.29 2.35 -2.01 -3.44 115.58 114.90 1dup h ASN 38 Ca -0.48 -0.89 -0.37 0.00 -0.55 0.00 0.00 56.30 54.01 1dup h ASN 38 Cb 1.18 -0.20 -0.19 0.00 0.05 0.00 0.00 38.32 39.16 1dup h ASN 38 CO 0.41 1.75 -0.76 -1.81 -1.65 0.00 0.00 177.43 175.37 1dup s ASP 39 N -7.29 1.64 0.62 5.81 1.01 -1.26 -4.99 116.67 112.21 1dup s ASP 39 Ca -0.15 -0.73 -0.18 0.00 0.71 0.00 0.00 52.55 52.20 1dup s ASP 39 Cb 0.05 -0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.93 1dup s ASP 39 CO 0.86 -0.16 1.20 0.00 0.21 0.00 0.00 175.17 177.28 1dup s ALA 40 N -1.90 2.48 -0.16 5.23 0.00 -1.26 -4.75 121.76 121.41 1dup s ALA 40 Ca 0.03 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1dup s ALA 40 Cb -0.06 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1dup s ALA 40 CO 0.02 -1.27 -0.21 0.08 0.00 0.00 0.00 175.76 174.38 1dup s VAL 41 N -1.68 2.11 -0.23 0.00 1.01 -0.59 -4.94 120.40 116.08 1dup s VAL 41 Ca 0.77 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1dup s VAL 41 Cb -0.30 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1dup s VAL 41 CO 0.35 0.54 0.44 -0.70 0.00 0.00 0.00 175.10 175.74 1dup s GLU 42 N 1.02 4.11 -0.31 2.72 2.12 -1.26 0.10 118.70 127.20 1dup s GLU 42 Ca -0.02 0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.45 1dup s GLU 42 Cb -0.14 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1dup s GLU 42 CO -0.06 -0.19 0.16 -0.51 -0.54 0.00 0.00 175.26 174.11 1dup s LEU 43 N 1.79 4.14 0.75 2.70 1.43 0.98 -4.96 118.68 125.52 1dup s LEU 43 Ca 0.20 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1dup s LEU 43 Cb -0.15 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.10 1dup s LEU 43 CO 0.09 -0.20 1.10 0.00 0.23 0.00 0.00 176.35 177.57 1dup s ALA 44 N 1.62 2.61 0.09 4.21 0.00 -1.26 -1.38 121.76 127.64 1dup s ALA 44 Ca 0.05 -0.28 -0.35 0.00 0.00 0.00 0.00 51.96 51.37 1dup s ALA 44 Cb -0.17 -3.06 -0.14 0.00 0.00 0.00 0.00 23.12 19.74 1dup s ALA 44 CO 0.06 -1.40 1.57 -2.30 0.00 0.00 0.00 175.76 173.69 1dup n PRO 45 N -3.20 1.85 0.00 0.00 -0.02 -1.26 -1.39 135.00 130.98 1dup n PRO 45 Ca 0.07 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1dup n PRO 45 Cb 0.57 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1dup n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dup n GLY 46 N 3.36 2.86 3.81 -1.23 0.00 0.72 -5.02 105.19 109.68 1dup n GLY 46 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1dup n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dup s ASP 47 N -1.36 5.66 0.11 1.61 1.01 -0.49 -4.75 116.67 118.46 1dup s ASP 47 Ca 0.00 1.74 0.04 0.00 0.71 0.00 0.00 52.55 55.04 1dup s ASP 47 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1dup s ASP 47 CO 0.00 -1.25 -0.11 0.42 0.21 0.00 0.00 175.17 174.44 1dup s THR 48 N -2.67 1.08 0.02 -1.27 -4.23 -1.26 -1.41 115.64 105.90 1dup s THR 48 Ca 0.61 -1.66 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 1dup s THR 48 Cb -0.15 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.31 1dup s THR 48 CO 0.43 -0.50 0.35 0.28 -0.54 0.00 0.00 174.62 174.64 1dup s THR 49 N -2.31 0.06 -0.24 3.99 -1.32 -0.22 -4.97 115.64 110.63 1dup s THR 49 Ca 0.06 -0.51 -0.07 0.00 -1.21 0.00 0.00 61.69 59.96 1dup s THR 49 Cb -0.04 -0.81 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1dup s THR 49 CO 0.01 -0.28 0.06 -0.22 -2.21 0.00 0.00 174.62 171.98 1dup s LEU 50 N -1.71 3.40 -0.19 9.08 2.96 -1.26 -0.49 118.68 130.48 1dup s LEU 50 Ca -0.09 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 1dup s LEU 50 Cb -0.03 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1dup s LEU 50 CO 0.01 -0.02 0.01 -0.69 -1.32 0.00 0.00 176.35 174.33 1dup s VAL 51 N 1.54 4.11 0.50 1.68 1.01 0.20 -4.89 120.40 124.54 1dup s VAL 51 Ca 0.06 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1dup s VAL 51 Cb -0.15 -2.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 1dup s VAL 51 CO 0.03 0.44 1.01 -2.16 0.00 0.00 0.00 175.10 174.42 1dup s PRO 52 N 0.78 3.83 -0.01 2.72 0.05 -1.26 -0.02 135.00 141.09 1dup s PRO 52 Ca 0.01 1.20 0.17 0.00 0.05 0.00 0.00 61.00 62.42 1dup s PRO 52 Cb -0.14 -2.11 -0.22 0.00 0.05 0.00 0.00 34.50 32.08 1dup s PRO 52 CO 0.02 -0.38 0.54 0.25 0.05 0.00 0.00 177.00 177.48 1dup n THR 53 N -1.22 0.00 -1.02 1.26 -2.24 -0.95 -1.25 114.28 108.86 1dup n THR 53 Ca 0.08 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.60 1dup n THR 53 Cb 0.53 0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1dup n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dup n GLY 54 N 1.46 0.42 3.24 3.38 0.00 -1.26 -4.60 105.19 107.83 1dup n GLY 54 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1dup n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dup s LEU 55 N -0.19 2.34 -0.00 0.99 1.43 -1.26 -0.02 118.68 121.96 1dup s LEU 55 Ca 0.00 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1dup s LEU 55 Cb 0.00 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1dup s LEU 55 CO 0.00 -0.05 0.01 0.00 0.23 0.00 0.00 176.35 176.53 1dup s ALA 56 N -1.56 -0.01 0.30 4.21 0.00 -0.56 -0.89 121.76 123.25 1dup s ALA 56 Ca 0.05 0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.13 1dup s ALA 56 Cb -0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1dup s ALA 56 CO 0.03 -0.01 -0.16 0.96 0.00 0.00 0.00 175.76 176.59 1dup s ILE 57 N -0.02 2.36 -0.32 0.00 -4.36 -1.26 -1.01 121.20 116.58 1dup s ILE 57 Ca -0.00 -2.33 -0.02 0.00 -0.26 0.00 0.00 60.65 58.04 1dup s ILE 57 Cb -0.00 -2.41 0.12 0.00 1.25 0.00 0.00 42.46 41.41 1dup s ILE 57 CO -0.00 -0.34 0.17 -2.28 0.24 0.00 0.00 174.94 172.73 1dup s HIS 58 N -2.57 0.65 0.12 1.37 2.46 -0.55 -4.23 115.29 112.55 1dup s HIS 58 Ca 0.31 -1.32 -0.17 0.00 0.47 0.00 0.00 55.06 54.35 1dup s HIS 58 Cb -0.02 -1.00 -0.03 0.00 -0.13 0.00 0.00 32.58 31.40 1dup s HIS 58 CO 0.15 -0.83 1.69 0.82 -2.47 0.00 0.00 174.74 174.10 1dup h ILE 59 N 5.78 1.17 0.00 0.89 2.04 -1.81 -3.28 117.51 122.30 1dup h ILE 59 Ca -0.08 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1dup h ILE 59 Cb 0.99 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1dup h ILE 59 CO 0.37 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1dup n ALA 60 N -2.27 0.00 -2.62 1.87 0.00 -0.42 -4.87 120.51 112.20 1dup n ALA 60 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1dup n ALA 60 Cb 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 1dup n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dup s ASP 61 N 0.00 6.76 0.00 0.00 -1.08 -1.26 -4.90 116.67 116.19 1dup s ASP 61 Ca 0.00 0.81 0.13 0.00 -0.52 0.00 0.00 52.55 52.96 1dup s ASP 61 Cb 0.00 -2.46 0.64 0.00 -1.46 0.00 0.00 42.92 39.64 1dup s ASP 61 CO 0.00 -0.71 1.34 -0.81 0.52 0.00 0.00 175.17 175.51 1dup n PRO 62 N 6.43 0.16 -0.02 4.34 -0.04 -1.26 -1.83 135.00 142.79 1dup n PRO 62 Ca 0.07 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1dup n PRO 62 Cb 0.48 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.97 1dup n PRO 62 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1dup n SER 63 N -1.31 1.33 -4.10 3.54 7.64 -1.26 -4.82 113.62 114.65 1dup n SER 63 Ca 0.06 -1.49 -0.17 0.00 1.01 0.00 0.00 58.87 58.27 1dup n SER 63 Cb 0.11 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.16 1dup n SER 63 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1dup s LEU 64 N -1.89 2.18 0.19 -3.43 2.96 -0.76 -1.94 118.68 115.99 1dup s LEU 64 Ca 0.37 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1dup s LEU 64 Cb 0.20 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 1dup s LEU 64 CO 0.32 -0.04 0.09 0.00 -1.32 0.00 0.00 176.35 175.40 1dup s ALA 65 N -0.93 1.24 0.09 5.97 0.00 -0.48 -4.14 121.76 123.50 1dup s ALA 65 Ca -0.02 -1.67 0.09 0.00 0.00 0.00 0.00 51.96 50.36 1dup s ALA 65 Cb -0.08 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 1dup s ALA 65 CO 0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 175.76 175.02 1dup s ALA 66 N -3.99 2.07 -0.04 0.00 0.00 -0.77 -1.44 121.76 117.59 1dup s ALA 66 Ca 0.34 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1dup s ALA 66 Cb 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1dup s ALA 66 CO 0.09 0.46 -0.21 -1.64 0.00 0.00 0.00 175.76 174.46 1dup s MET 67 N -1.72 2.03 -0.20 0.00 -1.94 0.44 -1.14 119.30 116.78 1dup s MET 67 Ca 0.10 -0.75 -0.08 0.00 -1.71 0.00 0.00 55.69 53.25 1dup s MET 67 Cb -0.10 -1.79 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 1dup s MET 67 CO 0.04 0.34 0.09 -1.64 -0.01 0.00 0.00 175.02 173.84 1dup s MET 68 N -0.15 4.03 0.20 2.03 -1.94 0.83 -1.61 119.30 122.68 1dup s MET 68 Ca -0.01 -0.31 0.05 0.00 -1.71 0.00 0.00 55.69 53.72 1dup s MET 68 Cb -0.12 -3.31 -0.05 0.00 2.01 0.00 0.00 34.83 33.37 1dup s MET 68 CO 0.02 0.24 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.67 1dup s LEU 69 N 0.49 2.45 0.72 -0.03 1.43 0.01 -1.56 118.68 122.20 1dup s LEU 69 Ca 0.05 -1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 51.92 1dup s LEU 69 Cb -0.12 -0.45 0.03 0.00 0.03 0.00 0.00 46.19 45.69 1dup s LEU 69 CO 0.00 -0.33 1.20 -2.84 0.23 0.00 0.00 176.35 174.61 1dup s PRO 70 N -3.74 2.22 0.20 1.29 0.02 -1.26 -0.73 135.00 132.99 1dup s PRO 70 Ca 0.22 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 1dup s PRO 70 Cb 0.03 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 1dup s PRO 70 CO 0.05 -1.77 0.97 1.03 -0.33 0.00 0.00 177.00 176.95 1dup s ARG 71 N -3.90 4.78 0.12 5.54 0.52 -1.26 -4.55 118.95 120.21 1dup s ARG 71 Ca 0.74 1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 57.26 1dup s ARG 71 Cb -0.29 -3.30 -0.06 0.00 0.52 0.00 0.00 34.95 31.83 1dup s ARG 71 CO 0.44 0.39 1.74 1.03 0.02 0.00 0.00 175.30 178.92 1dup h SER 72 N 4.60 0.01 -0.20 0.23 0.87 -1.96 0.13 113.55 117.23 1dup h SER 72 Ca -0.44 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 1dup h SER 72 Cb 1.20 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1dup h SER 72 CO 0.69 0.03 0.00 1.23 -0.53 0.00 0.00 176.83 178.26 1dup h GLY 73 N 0.10 0.38 0.96 5.77 0.00 -1.98 -0.45 103.07 107.85 1dup h GLY 73 Ca 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1dup h GLY 73 CO -0.10 0.25 0.40 -2.00 0.00 0.00 0.00 176.54 175.09 1dup h LEU 74 N 0.11 0.67 0.04 3.11 5.85 -1.88 0.47 115.31 123.69 1dup h LEU 74 Ca 0.06 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1dup h LEU 74 Cb 0.38 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1dup h LEU 74 CO 0.01 0.48 -0.02 1.23 -0.34 0.00 0.00 178.44 179.80 1dup h GLY 75 N 0.80 -0.05 0.63 3.75 0.00 -0.61 -1.16 103.07 106.43 1dup h GLY 75 Ca 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 1dup h GLY 75 CO -0.07 -0.02 -0.02 0.84 0.00 0.00 0.00 176.54 177.27 1dup h HIS 76 N -0.40 -0.06 0.03 5.60 -0.00 -1.03 -1.79 115.15 117.50 1dup h HIS 76 Ca -0.01 -0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.14 1dup h HIS 76 Cb 0.37 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1dup h HIS 76 CO 0.04 0.30 -1.03 0.87 -0.00 0.00 0.00 177.93 178.12 1dup h LYS 77 N -0.44 0.10 -0.01 5.26 1.57 -0.16 -3.37 116.57 119.52 1dup h LYS 77 Ca -0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1dup h LYS 77 Cb 0.39 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1dup h LYS 77 CO 0.01 1.03 -0.03 0.72 -0.57 0.00 0.00 179.45 180.61 1dup n HIS 78 N -3.46 0.00 -1.71 -1.35 8.25 -0.50 -5.00 115.22 111.45 1dup n HIS 78 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 1dup n HIS 78 Cb 0.93 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.01 1dup n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dup n GLY 79 N 0.44 0.57 3.31 -1.41 0.00 -0.67 -4.58 105.19 102.85 1dup n GLY 79 Ca 0.03 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 1dup n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dup s ILE 80 N -2.41 5.04 0.00 -0.61 -1.09 -0.99 -0.06 121.20 121.08 1dup s ILE 80 Ca 0.00 -1.46 0.00 0.00 -2.23 0.00 0.00 60.65 56.96 1dup s ILE 80 Cb 0.00 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1dup s ILE 80 CO 0.00 -0.79 0.00 1.33 -1.23 0.00 0.00 174.94 174.25 1dup n VAL 81 N 5.18 0.00 -3.92 2.92 0.24 -0.66 -3.35 118.33 118.74 1dup n VAL 81 Ca -0.13 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.81 1dup n VAL 81 Cb 0.41 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 1dup n VAL 81 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1dup s LEU 82 N 0.00 4.33 0.34 1.34 1.43 -1.26 -1.50 118.68 123.36 1dup s LEU 82 Ca 0.00 0.44 0.14 0.00 -1.03 0.00 0.00 54.13 53.67 1dup s LEU 82 Cb 0.00 -2.09 0.58 0.00 0.03 0.00 0.00 46.19 44.71 1dup s LEU 82 CO 0.00 0.40 1.72 1.23 0.23 0.00 0.00 176.35 179.93 1dup h GLY 83 N 4.91 0.00 -2.37 -3.19 0.00 -1.39 -2.16 103.07 98.88 1dup h GLY 83 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1dup h GLY 83 CO 0.58 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.28 1dup n ASN 84 N -3.82 3.55 0.00 0.19 2.04 -1.26 -4.97 115.26 110.98 1dup n ASN 84 Ca -0.01 -2.23 0.00 0.00 -0.44 0.00 0.00 54.58 51.90 1dup n ASN 84 Cb 0.51 -0.46 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 1dup n ASN 84 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1dup n LEU 85 N 0.94 0.00 -3.83 -4.53 4.77 -0.81 -4.58 117.00 108.96 1dup n LEU 85 Ca 0.20 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 1dup n LEU 85 Cb 0.64 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.56 1dup n LEU 85 CO 0.17 0.00 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.15 1dup s VAL 86 N 0.00 0.39 -0.14 4.08 1.01 -1.26 -4.53 120.40 119.96 1dup s VAL 86 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1dup s VAL 86 Cb 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1dup s VAL 86 CO 0.00 0.22 0.20 -0.83 0.00 0.00 0.00 175.10 174.69 1dup s GLY 87 N 1.30 2.17 -0.15 4.51 0.00 -0.60 -4.92 107.32 109.63 1dup s GLY 87 Ca -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 1dup s GLY 87 CO -0.02 0.02 -0.05 -2.27 0.00 0.00 0.00 173.10 170.77 1dup s LEU 88 N -0.28 3.15 -0.26 0.66 2.96 -1.26 -0.12 118.68 123.53 1dup s LEU 88 Ca 0.14 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1dup s LEU 88 Cb -0.12 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1dup s LEU 88 CO 0.03 0.17 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.58 1dup s ILE 89 N 0.38 3.31 0.73 6.68 -1.09 -0.29 -4.99 121.20 125.93 1dup s ILE 89 Ca -0.05 -0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 1dup s ILE 89 Cb -0.14 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.10 1dup s ILE 89 CO 0.03 0.19 1.08 -1.81 -1.23 0.00 0.00 174.94 173.21 1dup s ASP 90 N 1.41 4.93 0.60 3.58 1.01 -1.26 -1.84 116.67 125.10 1dup s ASP 90 Ca 0.02 1.77 0.38 0.00 0.71 0.00 0.00 52.55 55.43 1dup s ASP 90 Cb -0.16 -2.52 1.83 0.00 1.01 0.00 0.00 42.92 43.08 1dup s ASP 90 CO -0.02 -1.75 2.15 0.77 0.21 0.00 0.00 175.17 176.54 1dup h SER 91 N -0.79 0.00 -0.14 0.27 4.64 -1.85 -2.37 113.55 113.31 1dup h SER 91 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1dup h SER 91 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1dup h SER 91 CO 0.54 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.60 1dup n ASP 92 N -3.09 2.90 -4.69 4.97 5.68 -1.26 -1.30 116.55 119.76 1dup n ASP 92 Ca -0.01 -1.89 -0.42 0.00 -0.50 0.00 0.00 54.79 51.97 1dup n ASP 92 Cb 0.20 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.08 1dup n ASP 92 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1dup s TYR 93 N -1.60 3.21 -0.00 2.11 5.04 -0.89 -4.89 117.35 120.32 1dup s TYR 93 Ca 0.28 1.22 0.01 0.00 -2.44 0.00 0.00 57.07 56.13 1dup s TYR 93 Cb 0.18 -3.43 0.01 0.00 0.35 0.00 0.00 41.96 39.08 1dup s TYR 93 CO 0.27 -1.33 0.86 1.04 -1.34 0.00 0.00 175.55 175.04 1dup n GLN 94 N 5.03 2.01 -2.13 4.97 6.02 -1.26 -4.46 117.38 127.56 1dup n GLN 94 Ca 0.11 -1.23 -0.26 0.00 -0.01 0.00 0.00 57.00 55.60 1dup n GLN 94 Cb 0.46 -0.86 0.17 0.00 1.02 0.00 0.00 30.24 31.03 1dup n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dup n GLY 95 N -0.38 -0.66 3.77 1.08 0.00 -1.26 -4.74 105.19 102.99 1dup n GLY 95 Ca 0.01 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1dup n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dup s GLN 96 N -5.55 4.20 -0.14 1.61 0.74 -1.26 -4.31 119.66 114.95 1dup s GLN 96 Ca 0.71 2.43 -0.29 0.00 0.05 0.00 0.00 55.36 58.26 1dup s GLN 96 Cb -0.03 -3.03 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 1dup s GLN 96 CO 0.49 -0.44 1.26 -0.51 -0.55 0.00 0.00 175.29 175.54 1dup s LEU 97 N -1.47 4.20 -0.06 3.68 1.43 -0.07 -4.97 118.68 121.43 1dup s LEU 97 Ca 0.54 1.73 0.06 0.00 -1.03 0.00 0.00 54.13 55.43 1dup s LEU 97 Cb -0.44 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 1dup s LEU 97 CO 0.55 -0.73 -0.24 -0.04 0.23 0.00 0.00 176.35 176.11 1dup s MET 98 N 3.25 2.51 -0.21 1.70 -1.94 -1.26 -2.25 119.30 121.09 1dup s MET 98 Ca 0.55 -0.88 -0.05 0.00 -1.71 0.00 0.00 55.69 53.60 1dup s MET 98 Cb -0.23 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 1dup s MET 98 CO 0.16 0.36 0.01 0.42 -0.01 0.00 0.00 175.02 175.96 1dup s ILE 99 N -0.12 4.02 -0.45 2.53 1.01 0.97 -4.92 121.20 124.26 1dup s ILE 99 Ca -0.05 -0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 1dup s ILE 99 Cb -0.14 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.53 1dup s ILE 99 CO 0.04 0.41 1.09 -0.55 0.00 0.00 0.00 174.94 175.93 1dup s SER 100 N 1.10 6.66 -0.14 3.58 0.15 -1.26 -0.63 113.70 123.15 1dup s SER 100 Ca 0.03 0.51 -0.03 0.00 0.70 0.00 0.00 55.95 57.16 1dup s SER 100 Cb -0.14 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1dup s SER 100 CO 0.02 -1.15 -0.05 -0.69 1.20 0.00 0.00 173.24 172.57 1dup s VAL 101 N 4.19 3.81 -0.05 4.45 1.01 0.36 -1.13 120.40 133.05 1dup s VAL 101 Ca 0.46 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1dup s VAL 101 Cb -0.08 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1dup s VAL 101 CO 0.28 0.51 -0.17 0.86 0.00 0.00 0.00 175.10 176.58 1dup s TRP 102 N 0.22 1.68 -0.60 5.22 -0.00 -0.56 -1.06 118.94 123.84 1dup s TRP 102 Ca -0.03 -0.50 -0.19 0.00 -0.00 0.00 0.00 56.10 55.38 1dup s TRP 102 Cb -0.14 -1.14 0.10 0.00 -0.00 0.00 0.00 33.47 32.29 1dup s TRP 102 CO 0.03 -0.18 0.72 1.21 -0.00 0.00 0.00 176.95 178.74 1dup s ASN 103 N 0.10 6.18 0.00 5.86 3.84 -0.50 -1.66 114.94 128.76 1dup s ASN 103 Ca -0.05 -1.41 0.24 0.00 0.21 0.00 0.00 52.86 51.85 1dup s ASN 103 Cb -0.12 -2.31 0.92 0.00 -0.55 0.00 0.00 41.25 39.19 1dup s ASN 103 CO 0.02 -1.14 1.65 -2.11 -2.79 0.00 0.00 177.10 172.74 1dup n ARG 104 N 6.42 1.67 -0.52 0.43 1.85 0.92 -0.20 116.66 127.22 1dup n ARG 104 Ca -0.09 -0.99 -0.00 0.00 -1.00 0.00 0.00 57.85 55.77 1dup n ARG 104 Cb 0.43 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 1dup n ARG 104 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dup n GLY 105 N 1.14 0.39 0.09 2.89 0.00 -1.22 -4.91 105.19 103.57 1dup n GLY 105 Ca 0.18 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.38 1dup n GLY 105 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dup n GLN 106 N -1.03 1.03 -4.35 1.61 6.02 -1.26 -4.44 117.38 114.96 1dup n GLN 106 Ca 0.00 -0.19 -0.27 0.00 -0.01 0.00 0.00 57.00 56.53 1dup n GLN 106 Cb 0.01 -1.37 -0.10 0.00 1.02 0.00 0.00 30.24 29.79 1dup n GLN 106 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dup s ASP 107 N -2.63 3.91 0.60 1.08 1.01 -1.26 -4.78 116.67 114.61 1dup s ASP 107 Ca 0.09 -0.71 -0.16 0.00 0.71 0.00 0.00 52.55 52.48 1dup s ASP 107 Cb 0.14 -0.52 -0.03 0.00 1.01 0.00 0.00 42.92 43.52 1dup s ASP 107 CO 0.70 0.11 1.08 -0.44 0.21 0.00 0.00 175.17 176.83 1dup s SER 108 N -2.80 5.56 -0.07 0.27 0.01 -1.26 -4.32 113.70 111.09 1dup s SER 108 Ca 0.23 1.93 -0.06 0.00 1.31 0.00 0.00 55.95 59.37 1dup s SER 108 Cb -0.08 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.62 1dup s SER 108 CO 0.13 -1.32 0.19 0.12 0.41 0.00 0.00 173.24 172.77 1dup s PHE 109 N -2.30 -0.21 -0.21 2.43 2.19 -0.48 -4.98 117.98 114.43 1dup s PHE 109 Ca 0.66 0.52 -0.06 0.00 0.33 0.00 0.00 56.93 58.39 1dup s PHE 109 Cb -0.19 0.05 -0.03 0.00 -1.31 0.00 0.00 43.02 41.55 1dup s PHE 109 CO 0.36 -0.12 0.02 0.99 1.83 0.00 0.00 175.22 178.30 1dup s THR 110 N 0.32 4.07 -0.13 0.12 2.01 -1.26 -0.01 115.64 120.76 1dup s THR 110 Ca -0.02 -0.27 -0.24 0.00 0.31 0.00 0.00 61.69 61.47 1dup s THR 110 Cb -0.03 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1dup s THR 110 CO -0.01 0.42 0.77 -0.63 -0.69 0.00 0.00 174.62 174.47 1dup s ILE 111 N 1.05 4.95 0.14 1.82 1.01 0.12 -4.89 121.20 125.40 1dup s ILE 111 Ca 0.02 1.53 -0.05 0.00 0.00 0.00 0.00 60.65 62.15 1dup s ILE 111 Cb -0.14 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 1dup s ILE 111 CO 0.02 0.11 0.38 -1.10 0.00 0.00 0.00 174.94 174.35 1dup s GLN 112 N 1.65 3.63 0.14 2.79 -1.52 -1.26 -1.54 119.66 123.56 1dup s GLN 112 Ca 0.37 -0.05 -0.35 0.00 -1.95 0.00 0.00 55.36 53.38 1dup s GLN 112 Cb -0.17 -2.85 -0.15 0.00 -0.22 0.00 0.00 33.01 29.62 1dup s GLN 112 CO 0.15 0.47 1.45 -2.30 -0.25 0.00 0.00 175.29 174.81 1dup n PRO 113 N 0.16 1.70 -0.47 2.91 -0.02 -1.26 -1.06 135.00 136.95 1dup n PRO 113 Ca -0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1dup n PRO 113 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1dup n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dup n GLY 114 N 2.90 1.54 3.77 -1.23 0.00 0.36 -4.96 105.19 107.58 1dup n GLY 114 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1dup n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dup s GLU 115 N -0.19 4.18 -0.05 1.61 2.12 -0.23 -4.45 118.70 121.69 1dup s GLU 115 Ca 0.00 1.80 -0.30 0.00 0.36 0.00 0.00 54.97 56.83 1dup s GLU 115 Cb 0.00 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1dup s GLU 115 CO 0.00 -0.20 1.28 1.03 -0.54 0.00 0.00 175.26 176.84 1dup s ARG 116 N -2.17 4.31 0.00 4.30 0.52 -1.26 -0.77 118.95 123.89 1dup s ARG 116 Ca 0.55 1.78 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 1dup s ARG 116 Cb -0.30 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.58 1dup s ARG 116 CO 0.38 -0.52 0.09 0.44 0.02 0.00 0.00 175.30 175.71 1dup n ILE 117 N 4.72 0.00 -3.67 1.52 -5.35 -0.49 -4.97 119.36 111.12 1dup n ILE 117 Ca 0.12 -0.29 -0.08 0.00 -0.27 0.00 0.00 62.75 62.23 1dup n ILE 117 Cb 0.45 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.46 1dup n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dup s ALA 118 N -0.40 -1.45 0.12 -1.28 0.00 -1.23 -4.35 121.76 113.17 1dup s ALA 118 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1dup s ALA 118 Cb 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1dup s ALA 118 CO 0.00 -0.92 -0.17 1.14 0.00 0.00 0.00 175.76 175.81 1dup s GLN 119 N -3.73 1.07 -0.02 0.00 -2.07 0.09 -0.81 119.66 114.18 1dup s GLN 119 Ca 0.07 -1.21 0.04 0.00 -1.82 0.00 0.00 55.36 52.45 1dup s GLN 119 Cb -0.03 -1.10 -0.01 0.00 -1.09 0.00 0.00 33.01 30.78 1dup s GLN 119 CO -0.02 0.23 -0.15 1.41 -1.32 0.00 0.00 175.29 175.44 1dup s MET 120 N -2.36 1.34 0.15 9.60 1.75 0.08 -0.81 119.30 129.05 1dup s MET 120 Ca 0.08 -0.54 0.10 0.00 -1.25 0.00 0.00 55.69 54.08 1dup s MET 120 Cb -0.07 -1.25 -0.04 0.00 2.84 0.00 0.00 34.83 36.30 1dup s MET 120 CO 0.04 0.29 -0.23 0.96 -0.65 0.00 0.00 175.02 175.43 1dup s ILE 121 N -0.22 2.05 -0.21 10.11 -4.36 -0.63 -1.26 121.20 126.68 1dup s ILE 121 Ca 0.03 -1.81 -0.04 0.00 -0.26 0.00 0.00 60.65 58.56 1dup s ILE 121 Cb -0.07 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1dup s ILE 121 CO 0.00 -0.10 -0.03 -0.36 0.24 0.00 0.00 174.94 174.70 1dup s PHE 122 N -1.48 2.98 0.04 1.37 0.40 -1.26 -0.42 117.98 119.61 1dup s PHE 122 Ca 0.14 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 1dup s PHE 122 Cb -0.08 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1dup s PHE 122 CO 0.07 -0.40 -0.14 0.14 0.70 0.00 0.00 175.22 175.59 1dup s VAL 123 N 1.21 1.13 0.40 -0.44 -7.23 -0.52 -4.98 120.40 109.97 1dup s VAL 123 Ca 0.03 -1.06 -0.26 0.00 -1.81 0.00 0.00 61.98 58.88 1dup s VAL 123 Cb -0.14 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.67 1dup s VAL 123 CO -0.00 -0.02 1.26 -2.84 -0.31 0.00 0.00 175.10 173.18 1dup s PRO 124 N -1.24 4.03 0.05 4.82 0.02 -1.26 -1.39 135.00 140.04 1dup s PRO 124 Ca 0.01 2.06 0.05 0.00 0.02 0.00 0.00 61.00 63.14 1dup s PRO 124 Cb -0.08 -2.76 -0.02 0.00 0.02 0.00 0.00 34.50 31.65 1dup s PRO 124 CO 0.01 -0.41 -0.13 0.14 -0.33 0.00 0.00 177.00 176.28 1dup s VAL 125 N -1.29 1.05 -0.06 3.83 -7.23 -0.82 -4.84 120.40 111.03 1dup s VAL 125 Ca 0.56 -1.11 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 1dup s VAL 125 Cb -0.36 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 1dup s VAL 125 CO 0.46 -0.12 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.24 1dup s VAL 126 N -1.05 2.54 -0.22 1.32 1.01 -1.26 -4.60 120.40 118.14 1dup s VAL 126 Ca -0.01 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1dup s VAL 126 Cb -0.09 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1dup s VAL 126 CO 0.02 0.57 0.47 -1.10 0.00 0.00 0.00 175.10 175.05 1dup s GLN 127 N -0.33 4.14 0.27 2.72 -0.21 -1.26 -5.06 119.66 119.93 1dup s GLN 127 Ca 0.02 0.29 -0.29 0.00 0.02 0.00 0.00 55.36 55.41 1dup s GLN 127 Cb -0.13 -3.58 -0.09 0.00 1.00 0.00 0.00 33.01 30.21 1dup s GLN 127 CO 0.02 -0.17 0.99 0.00 -2.12 0.00 0.00 175.29 174.01 1dup s ALA 128 N 1.72 3.33 -0.34 6.09 0.00 -1.26 -5.03 121.76 126.26 1dup s ALA 128 Ca 0.21 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 1dup s ALA 128 Cb -0.15 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.77 1dup s ALA 128 CO 0.09 0.08 0.11 -2.00 0.00 0.00 0.00 175.76 174.04 1dup s GLU 129 N -1.44 2.56 0.13 0.00 2.12 -1.26 -5.08 118.70 115.73 1dup s GLU 129 Ca 0.44 -1.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 1dup s GLU 129 Cb -0.26 -3.45 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 1dup s GLU 129 CO 0.33 -0.70 1.23 -0.06 -0.54 0.00 0.00 175.26 175.52 1dup s PHE 130 N 1.37 3.40 -0.38 5.30 0.08 -1.26 -5.01 117.98 121.47 1dup s PHE 130 Ca -0.01 1.30 -0.04 0.00 0.12 0.00 0.00 56.93 58.29 1dup s PHE 130 Cb -0.20 -3.47 0.09 0.00 -0.57 0.00 0.00 43.02 38.87 1dup s PHE 130 CO 0.02 -1.43 0.16 1.21 -0.10 0.00 0.00 175.22 175.08 1dup s ASN 131 N 0.65 5.26 -0.01 1.36 2.47 -1.26 -5.07 114.94 118.34 1dup s ASN 131 Ca 0.57 -1.69 -0.30 0.00 0.42 0.00 0.00 52.86 51.86 1dup s ASN 131 Cb -0.32 -1.84 -0.05 0.00 -1.45 0.00 0.00 41.25 37.59 1dup s ASN 131 CO 0.33 -0.47 1.36 -0.22 -3.72 0.00 0.00 177.10 174.38 1dup s LEU 132 N 1.25 4.31 0.24 3.21 2.96 -1.26 -5.02 118.68 124.36 1dup s LEU 132 Ca 0.03 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.07 1dup s LEU 132 Cb -0.22 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1dup s LEU 132 CO -0.02 -0.69 -0.10 0.68 -1.32 0.00 0.00 176.35 174.91 1dup s VAL 133 N 2.33 1.64 -0.07 1.68 -7.23 -1.26 -5.06 120.40 112.43 1dup s VAL 133 Ca 0.62 -2.16 0.22 0.00 -1.81 0.00 0.00 61.98 58.85 1dup s VAL 133 Cb -0.30 -2.23 -0.29 0.00 0.56 0.00 0.00 36.38 34.12 1dup s VAL 133 CO 0.26 -0.46 0.51 -0.62 -0.31 0.00 0.00 175.10 174.48 1dup n GLU 134 N -0.46 0.66 -3.75 4.82 4.71 -1.26 -4.94 120.64 120.41 1dup n GLU 134 Ca -0.07 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.16 56.81 1dup n GLU 134 Cb 0.62 -1.56 -0.09 0.00 -1.01 0.00 0.00 31.44 29.40 1dup n GLU 134 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1dup s ASP 135 N -4.71 -0.26 0.00 1.62 1.01 -1.26 -5.36 116.67 107.72 1dup s ASP 135 Ca -0.07 0.28 0.28 0.00 0.71 0.00 0.00 52.55 53.75 1dup s ASP 135 Cb 0.13 0.44 1.68 0.00 1.01 0.00 0.00 42.92 46.17 1dup s ASP 135 CO 0.89 -0.37 2.02 0.49 0.21 0.00 0.00 175.17 178.41