#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sei s MET 2 N 0.00 0.02 0.00 7.34 -1.94 -1.26 -5.07 119.30 118.39 1sei s MET 2 Ca 0.00 0.33 0.28 0.00 -1.71 0.00 0.00 55.69 54.59 1sei s MET 2 Cb 0.00 -0.26 1.42 0.00 2.01 0.00 0.00 34.83 38.01 1sei s MET 2 CO 0.00 -0.20 1.97 0.25 -0.01 0.00 0.00 175.02 177.03 1sei n THR 3 N 4.47 0.08 0.13 2.05 -2.24 -1.26 -3.99 114.28 113.52 1sei n THR 3 Ca -0.22 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1sei n THR 3 Cb 0.51 -0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 1sei n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sei h ASP 4 N 0.00 -0.25 0.11 3.42 3.32 -1.97 0.30 116.42 121.35 1sei h ASP 4 Ca 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1sei h ASP 4 Cb 0.26 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1sei h ASP 4 CO 0.00 -0.05 -0.09 -0.65 -1.72 0.00 0.00 179.24 176.73 1sei h PRO 5 N -0.45 0.00 -0.30 3.56 0.11 -2.00 -0.60 132.00 132.32 1sei h PRO 5 Ca -0.03 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 1sei h PRO 5 Cb 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1sei h PRO 5 CO 0.05 0.09 -0.26 0.82 -0.21 0.00 0.00 178.00 178.49 1sei h ILE 6 N 0.00 1.30 -0.83 4.15 1.08 -1.61 -1.41 117.51 120.19 1sei h ILE 6 Ca -0.00 -1.42 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 1sei h ILE 6 Cb 0.17 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 1sei h ILE 6 CO 0.01 0.45 0.46 0.00 -0.69 0.00 0.00 178.15 178.39 1sei h ALA 7 N 0.72 1.26 0.12 1.87 0.00 0.67 -1.37 119.26 122.54 1sei h ALA 7 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sei h ALA 7 Cb 0.82 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sei h ALA 7 CO 0.07 0.61 -0.06 -0.44 0.00 0.00 0.00 179.25 179.42 1sei h ASP 8 N 1.15 -0.14 -0.69 0.00 3.32 -0.91 0.97 116.42 120.11 1sei h ASP 8 Ca 0.29 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.35 1sei h ASP 8 Cb 0.01 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1sei h ASP 8 CO -0.05 -0.07 0.44 -0.03 -1.72 0.00 0.00 179.24 177.81 1sei h MET 9 N -0.20 0.84 -0.49 3.56 4.05 -0.95 -1.80 114.93 119.96 1sei h MET 9 Ca -0.02 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.24 1sei h MET 9 Cb 0.15 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1sei h MET 9 CO 0.03 0.56 -0.14 -0.07 0.23 0.00 0.00 176.91 177.51 1sei h LEU 10 N 0.87 0.93 -0.58 3.39 4.07 -1.06 -1.61 115.31 121.32 1sei h LEU 10 Ca 0.27 -0.31 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1sei h LEU 10 Cb -0.01 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 1sei h LEU 10 CO -0.10 1.07 0.22 0.74 -1.08 0.00 0.00 178.44 179.29 1sei h THR 11 N 0.82 1.23 -0.42 0.22 2.02 -0.47 -0.16 112.91 116.15 1sei h THR 11 Ca 0.12 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 1sei h THR 11 Cb 0.69 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1sei h THR 11 CO 0.05 0.28 0.07 0.00 0.37 0.00 0.00 175.52 176.30 1sei h ALA 12 N 1.07 0.55 -0.74 6.16 0.00 -1.18 0.09 119.26 125.21 1sei h ALA 12 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1sei h ALA 12 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1sei h ALA 12 CO -0.01 0.27 0.28 0.82 0.00 0.00 0.00 179.25 180.60 1sei h ILE 13 N 0.54 1.25 0.47 0.00 2.04 -1.14 -0.70 117.51 119.98 1sei h ILE 13 Ca 0.13 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1sei h ILE 13 Cb 0.37 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1sei h ILE 13 CO 0.01 0.33 -0.38 -0.09 0.00 0.00 0.00 178.15 178.01 1sei h ARG 14 N 1.07 -0.82 -0.58 2.37 2.43 -0.61 -0.34 114.38 117.91 1sei h ARG 14 Ca 0.24 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.55 1sei h ARG 14 Cb 0.23 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1sei h ARG 14 CO -0.02 -0.54 0.24 -0.91 -1.51 0.00 0.00 179.97 177.23 1sei h ASN 15 N -0.85 0.28 -0.36 -3.80 2.35 -0.86 -1.25 115.58 111.09 1sei h ASN 15 Ca -0.05 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1sei h ASN 15 Cb 0.73 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1sei h ASN 15 CO -0.01 0.18 0.05 0.00 -1.65 0.00 0.00 177.43 175.99 1sei h ALA 16 N 1.37 1.25 -0.50 -0.83 0.00 -0.92 -2.33 119.26 117.29 1sei h ALA 16 Ca 0.28 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1sei h ALA 16 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1sei h ALA 16 CO -0.26 0.51 -0.15 -0.97 0.00 0.00 0.00 179.25 178.38 1sei h ASN 17 N 0.67 0.98 0.23 0.00 -1.24 -0.35 -0.40 115.58 115.48 1sei h ASN 17 Ca 0.14 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1sei h ASN 17 Cb 0.35 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1sei h ASN 17 CO 0.01 1.12 -0.25 0.24 -1.29 0.00 0.00 177.43 177.26 1sei h MET 18 N 0.86 -0.50 -0.48 6.67 2.86 -0.69 -2.60 114.93 121.05 1sei h MET 18 Ca 0.13 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1sei h MET 18 Cb 0.71 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1sei h MET 18 CO 0.05 -0.34 0.00 1.33 1.06 0.00 0.00 176.91 179.02 1sei n VAL 19 N -5.37 0.56 -3.74 -2.22 0.24 -1.13 -4.94 118.33 101.73 1sei n VAL 19 Ca -0.08 -0.39 -0.23 0.00 -2.04 0.00 0.00 64.34 61.60 1sei n VAL 19 Cb 0.28 -0.05 0.03 0.00 -1.47 0.00 0.00 33.84 32.63 1sei n VAL 19 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sei n ARG 20 N 0.23 -5.14 -2.41 7.34 1.74 -0.94 -5.01 116.66 112.48 1sei n ARG 20 Ca 0.09 0.62 -0.35 0.00 -0.77 0.00 0.00 57.85 57.44 1sei n ARG 20 Cb 0.35 -5.27 -0.02 0.00 -1.02 0.00 0.00 32.46 26.50 1sei n ARG 20 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sei s HIS 21 N -3.58 2.93 -0.10 -1.55 3.76 -0.20 -4.95 115.29 111.60 1sei s HIS 21 Ca 0.16 1.57 0.15 0.00 -0.15 0.00 0.00 55.06 56.79 1sei s HIS 21 Cb -0.08 -3.20 0.16 0.00 1.11 0.00 0.00 32.58 30.57 1sei s HIS 21 CO 0.81 -1.12 1.48 0.93 -0.85 0.00 0.00 174.74 176.00 1sei h GLU 22 N 1.71 0.00 -3.32 1.40 4.39 -1.92 -3.41 114.58 113.43 1sei h GLU 22 Ca -0.49 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.16 1sei h GLU 22 Cb 1.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 1sei h GLU 22 CO 0.59 0.50 0.10 -1.59 -1.16 0.00 0.00 179.01 177.45 1sei s LYS 23 N -3.05 1.92 0.11 2.33 -2.85 -1.26 -1.40 119.74 115.54 1sei s LYS 23 Ca 0.03 -1.33 -0.25 0.00 -1.00 0.00 0.00 55.97 53.42 1sei s LYS 23 Cb 0.08 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 36.49 1sei s LYS 23 CO 0.74 -0.86 0.78 -0.48 0.10 0.00 0.00 175.35 175.63 1sei s LEU 24 N -3.05 -0.40 0.03 2.77 2.34 -0.15 -4.92 118.68 115.30 1sei s LEU 24 Ca 0.18 -0.12 0.04 0.00 0.06 0.00 0.00 54.13 54.29 1sei s LEU 24 Cb -0.04 2.32 -0.02 0.00 -0.56 0.00 0.00 46.19 47.90 1sei s LEU 24 CO 0.11 -0.86 -0.12 -1.61 -1.06 0.00 0.00 176.35 172.80 1sei s GLU 25 N -3.45 0.86 -0.06 1.48 2.02 -1.26 -0.32 118.70 117.97 1sei s GLU 25 Ca 0.05 -0.67 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 1sei s GLU 25 Cb -0.02 -0.84 0.02 0.00 0.10 0.00 0.00 34.13 33.39 1sei s GLU 25 CO -0.07 0.21 0.25 0.54 0.02 0.00 0.00 175.26 176.21 1sei s VAL 26 N -0.76 0.03 0.19 2.63 0.11 -0.88 -4.98 120.40 116.74 1sei s VAL 26 Ca 0.01 -0.26 -0.33 0.00 -2.93 0.00 0.00 61.98 58.47 1sei s VAL 26 Cb -0.07 -0.45 -0.14 0.00 -1.53 0.00 0.00 36.38 34.18 1sei s VAL 26 CO 0.01 -0.14 1.37 -2.65 -3.33 0.00 0.00 175.10 170.36 1sei n PRO 27 N 2.20 1.74 -1.76 1.54 -0.02 -1.26 -0.70 135.00 136.73 1sei n PRO 27 Ca -0.17 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 1sei n PRO 27 Cb 0.57 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1sei n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sei s ALA 28 N 0.17 2.76 0.05 3.55 0.00 0.36 -4.69 121.76 123.97 1sei s ALA 28 Ca 0.73 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.57 1sei s ALA 28 Cb -0.74 -3.17 0.09 0.00 0.00 0.00 0.00 23.12 19.29 1sei s ALA 28 CO 0.48 -1.01 0.81 -1.54 0.00 0.00 0.00 175.76 174.49 1sei s SER 29 N -3.56 -0.41 0.08 0.00 1.04 -1.26 -4.92 113.70 104.66 1sei s SER 29 Ca 0.59 -0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.76 1sei s SER 29 Cb -0.14 0.46 -0.16 0.00 0.10 0.00 0.00 66.02 66.28 1sei s SER 29 CO 0.49 -0.75 1.69 0.50 0.98 0.00 0.00 173.24 176.15 1sei h LYS 30 N 2.00 0.00 -0.70 4.02 3.64 -1.99 -1.26 116.57 122.29 1sei h LYS 30 Ca -0.26 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1sei h LYS 30 Cb 1.26 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1sei h LYS 30 CO 0.32 0.05 0.36 0.97 -2.27 0.00 0.00 179.45 178.89 1sei h ILE 31 N -0.05 1.21 -0.36 2.00 6.09 -1.98 -0.15 117.51 124.26 1sei h ILE 31 Ca 0.00 -0.57 -0.09 0.00 -1.37 0.00 0.00 64.86 62.83 1sei h ILE 31 Cb 0.05 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 37.63 1sei h ILE 31 CO -0.00 0.25 -0.14 0.11 -3.07 0.00 0.00 178.15 175.30 1sei h LYS 32 N 0.98 0.65 -0.45 2.19 1.57 -1.93 0.30 116.57 119.88 1sei h LYS 32 Ca 0.24 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1sei h LYS 32 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1sei h LYS 32 CO -0.04 0.77 -0.23 -0.09 -0.57 0.00 0.00 179.45 179.29 1sei h ARG 33 N 0.59 0.94 -0.71 3.15 2.43 -0.33 -1.25 114.38 119.20 1sei h ARG 33 Ca 0.10 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 58.82 1sei h ARG 33 Cb 0.58 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1sei h ARG 33 CO 0.04 1.06 0.24 0.93 -1.51 0.00 0.00 179.97 180.73 1sei h GLU 34 N 0.81 1.09 -0.57 0.20 5.08 -0.56 -1.13 114.58 119.50 1sei h GLU 34 Ca 0.10 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1sei h GLU 34 Cb 0.79 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1sei h GLU 34 CO 0.07 0.93 0.17 0.82 -1.00 0.00 0.00 179.01 179.99 1sei h ILE 35 N 1.04 1.24 -0.81 3.13 2.04 -0.71 -2.57 117.51 120.86 1sei h ILE 35 Ca 0.23 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1sei h ILE 35 Cb 0.28 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1sei h ILE 35 CO -0.01 0.31 0.43 0.00 0.00 0.00 0.00 178.15 178.87 1sei h ALA 36 N 1.04 1.22 -0.65 1.87 0.00 -0.91 -1.30 119.26 120.53 1sei h ALA 36 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sei h ALA 36 Cb 0.30 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1sei h ALA 36 CO -0.00 0.62 0.37 0.93 0.00 0.00 0.00 179.25 181.17 1sei h GLU 37 N 1.15 0.90 -0.01 0.00 4.39 -1.07 -0.78 114.58 119.15 1sei h GLU 37 Ca 0.29 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1sei h GLU 37 Cb 0.06 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1sei h GLU 37 CO -0.04 0.67 0.00 0.82 -1.16 0.00 0.00 179.01 179.30 1sei h ILE 38 N 0.89 1.21 -0.97 3.13 2.04 -1.10 0.12 117.51 122.83 1sei h ILE 38 Ca 0.23 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.57 1sei h ILE 38 Cb 0.01 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 1sei h ILE 38 CO -0.04 0.16 0.61 -0.07 0.00 0.00 0.00 178.15 178.81 1sei h LEU 39 N -0.24 0.96 -0.09 1.44 4.07 -1.16 0.23 115.31 120.51 1sei h LEU 39 Ca 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1sei h LEU 39 Cb 0.26 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 1sei h LEU 39 CO 0.00 0.58 -0.04 0.50 -1.08 0.00 0.00 178.44 178.40 1sei h LYS 40 N 1.07 0.19 -0.49 1.13 3.64 -1.02 0.41 116.57 121.50 1sei h LYS 40 Ca 0.44 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1sei h LYS 40 Cb 0.26 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1sei h LYS 40 CO -0.20 0.54 0.18 -0.09 -2.27 0.00 0.00 179.45 177.62 1sei h ARG 41 N -0.16 0.70 -0.48 1.90 2.43 -0.11 -2.03 114.38 116.63 1sei h ARG 41 Ca 0.02 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1sei h ARG 41 Cb 0.48 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1sei h ARG 41 CO 0.01 0.59 0.00 0.39 -1.51 0.00 0.00 179.97 179.45 1sei n GLU 42 N -4.34 2.12 -1.22 0.20 -0.58 0.75 -4.92 120.64 112.64 1sei n GLU 42 Ca 0.04 -1.35 -0.08 0.00 -0.42 0.00 0.00 57.16 55.35 1sei n GLU 42 Cb 0.16 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 1sei n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sei n GLY 43 N 0.86 0.92 0.07 0.62 0.00 -0.76 -4.93 105.19 101.96 1sei n GLY 43 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1sei n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1sei h PHE 44 N 0.00 0.00 -2.71 1.61 0.04 -0.40 -3.46 116.94 112.02 1sei h PHE 44 Ca -0.15 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.13 1sei h PHE 44 Cb 0.65 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.66 1sei h PHE 44 CO 0.31 0.96 -0.68 0.96 -0.60 0.00 0.00 178.31 179.26 1sei s ILE 45 N -2.71 1.64 -0.02 -0.55 -4.36 -1.13 -4.41 121.20 109.67 1sei s ILE 45 Ca -0.00 -2.14 -0.18 0.00 -0.26 0.00 0.00 60.65 58.07 1sei s ILE 45 Cb 0.09 -2.38 -0.33 0.00 1.25 0.00 0.00 42.46 41.10 1sei s ILE 45 CO 0.82 -0.35 0.90 -0.09 0.24 0.00 0.00 174.94 176.46 1sei h ARG 46 N 2.33 0.41 -2.21 0.37 2.43 -1.06 -3.41 114.38 113.25 1sei h ARG 46 Ca -0.40 -0.70 0.30 0.00 -0.81 0.00 0.00 59.98 58.37 1sei h ARG 46 Cb 1.23 0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 30.98 1sei h ARG 46 CO 0.66 1.34 0.83 0.34 -1.51 0.00 0.00 179.97 181.63 1sei s ASP 47 N -7.27 0.00 0.16 -3.80 -1.08 -1.16 -5.02 116.67 98.50 1sei s ASP 47 Ca -0.12 -0.31 -0.20 0.00 -0.52 0.00 0.00 52.55 51.40 1sei s ASP 47 Cb 0.03 0.23 0.05 0.00 -1.46 0.00 0.00 42.92 41.76 1sei s ASP 47 CO 0.88 -0.45 0.52 -0.72 0.52 0.00 0.00 175.17 175.92 1sei s TYR 48 N -2.06 -0.34 -0.04 -5.34 1.13 -1.26 -1.20 117.35 108.24 1sei s TYR 48 Ca 0.27 0.06 -0.15 0.00 -1.41 0.00 0.00 57.07 55.84 1sei s TYR 48 Cb -0.01 0.43 0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1sei s TYR 48 CO 0.01 -0.82 0.34 -1.83 -2.51 0.00 0.00 175.55 170.74 1sei s GLU 49 N -3.80 0.64 -0.05 -3.49 -1.05 -0.19 -4.96 118.70 105.81 1sei s GLU 49 Ca 0.03 -0.03 -0.19 0.00 -0.15 0.00 0.00 54.97 54.64 1sei s GLU 49 Cb -0.00 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1sei s GLU 49 CO -0.10 -0.17 0.53 -0.47 0.95 0.00 0.00 175.26 176.00 1sei s TYR 50 N -1.02 3.62 0.04 4.83 5.04 -1.26 -0.38 117.35 128.22 1sei s TYR 50 Ca -0.11 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1sei s TYR 50 Cb -0.04 -2.55 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 1sei s TYR 50 CO 0.04 0.31 -0.04 -1.50 -1.34 0.00 0.00 175.55 173.02 1sei s ILE 51 N 0.02 0.25 -0.09 3.14 1.10 0.88 -4.97 121.20 121.53 1sei s ILE 51 Ca 0.28 -1.35 0.04 0.00 -0.51 0.00 0.00 60.65 59.11 1sei s ILE 51 Cb -0.17 -0.89 0.00 0.00 0.15 0.00 0.00 42.46 41.55 1sei s ILE 51 CO 0.14 -0.70 -0.22 -1.61 -2.11 0.00 0.00 174.94 170.44 1sei s GLU 52 N -2.59 2.73 -0.16 3.50 2.02 -1.26 0.09 118.70 123.03 1sei s GLU 52 Ca -0.04 -0.78 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 1sei s GLU 52 Cb -0.02 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 32.15 1sei s GLU 52 CO -0.04 0.16 -0.06 0.34 0.02 0.00 0.00 175.26 175.68 1sei s ASP 53 N 0.37 2.83 -1.45 -0.19 -1.08 0.26 -4.69 116.67 112.71 1sei s ASP 53 Ca -0.17 -0.66 -0.11 0.00 -0.52 0.00 0.00 52.55 51.09 1sei s ASP 53 Cb -0.17 -0.93 0.05 0.00 -1.46 0.00 0.00 42.92 40.41 1sei s ASP 53 CO 0.08 -0.18 1.05 0.59 0.52 0.00 0.00 175.17 177.23 1sei n ASN 54 N 4.87 -5.58 -0.48 -0.34 3.02 -1.26 -0.24 115.26 115.24 1sei n ASN 54 Ca -0.12 -0.64 -0.06 0.00 -0.03 0.00 0.00 54.58 53.72 1sei n ASN 54 Cb 0.48 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 1sei n ASN 54 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sei n LYS 55 N -4.79 -1.15 -3.83 3.52 4.76 -1.26 -4.99 118.16 110.42 1sei n LYS 55 Ca 0.02 0.63 -0.36 0.00 -2.87 0.00 0.00 58.31 55.73 1sei n LYS 55 Cb 0.54 -4.65 -0.10 0.00 -1.84 0.00 0.00 35.03 28.98 1sei n LYS 55 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1sei s GLN 56 N -2.16 3.97 0.01 1.97 0.74 0.66 -5.07 119.66 119.80 1sei s GLN 56 Ca 0.00 -0.33 -0.30 0.00 0.05 0.00 0.00 55.36 54.78 1sei s GLN 56 Cb 0.00 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 1sei s GLN 56 CO 0.00 0.13 1.20 0.20 -0.55 0.00 0.00 175.29 176.27 1sei s GLY 57 N 0.81 2.30 0.03 2.59 0.00 -1.26 -0.57 107.32 111.21 1sei s GLY 57 Ca 0.05 0.75 0.04 0.00 0.00 0.00 0.00 44.72 45.56 1sei s GLY 57 CO 0.02 2.11 -0.12 -0.42 0.00 0.00 0.00 173.10 174.69 1sei s ILE 58 N 1.55 0.97 -0.26 0.90 1.01 0.11 -0.49 121.20 124.99 1sei s ILE 58 Ca 0.58 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1sei s ILE 58 Cb -0.27 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1sei s ILE 58 CO 0.26 0.02 0.06 -0.76 0.00 0.00 0.00 174.94 174.53 1sei s LEU 59 N -0.95 3.53 -0.35 2.97 1.43 0.12 -0.08 118.68 125.34 1sei s LEU 59 Ca 0.01 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1sei s LEU 59 Cb -0.07 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1sei s LEU 59 CO 0.01 -0.09 0.25 -0.60 0.23 0.00 0.00 176.35 176.15 1sei s ARG 60 N 1.56 3.45 -0.21 1.70 3.52 0.48 -2.06 118.95 127.39 1sei s ARG 60 Ca 0.05 -0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 54.88 1sei s ARG 60 Cb -0.16 -3.83 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 1sei s ARG 60 CO 0.02 -0.48 0.11 0.42 -0.81 0.00 0.00 175.30 174.57 1sei s ILE 61 N 1.73 5.14 -0.36 4.11 1.01 0.57 -1.03 121.20 132.37 1sei s ILE 61 Ca 0.06 0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.68 1sei s ILE 61 Cb -0.18 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1sei s ILE 61 CO 0.11 0.41 0.24 -0.36 0.00 0.00 0.00 174.94 175.34 1sei s PHE 62 N 0.63 3.23 0.78 3.97 0.08 -0.34 -0.98 117.98 125.34 1sei s PHE 62 Ca 0.06 -0.54 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 1sei s PHE 62 Cb -0.12 -2.48 0.06 0.00 -0.57 0.00 0.00 43.02 39.90 1sei s PHE 62 CO 0.01 -0.50 1.09 -0.51 -0.10 0.00 0.00 175.22 175.20 1sei s LEU 63 N 1.66 2.93 -0.05 -0.37 1.43 -0.49 -0.62 118.68 123.16 1sei s LEU 63 Ca 0.05 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1sei s LEU 63 Cb -0.18 -4.41 -0.00 0.00 0.03 0.00 0.00 46.19 41.62 1sei s LEU 63 CO 0.09 -2.03 -0.17 -0.75 0.23 0.00 0.00 176.35 173.72 1sei s LYS 64 N -4.94 1.89 -0.04 1.70 2.20 -1.26 -4.31 119.74 114.99 1sei s LYS 64 Ca 0.61 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1sei s LYS 64 Cb -0.17 -1.60 0.01 0.00 -1.51 0.00 0.00 37.83 34.56 1sei s LYS 64 CO 0.56 0.21 -0.09 0.71 -0.36 0.00 0.00 175.35 176.37 1sei s TYR 65 N 0.16 1.05 0.00 4.03 2.02 -1.26 -3.06 117.35 120.28 1sei s TYR 65 Ca -0.07 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1sei s TYR 65 Cb -0.13 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 1sei s TYR 65 CO 0.03 -0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 1sei n GLY 66 N 3.46 -1.63 3.31 0.71 0.00 0.11 -4.67 105.19 106.47 1sei n GLY 66 Ca -0.20 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 1sei n GLY 66 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sei n PRO 67 N -1.17 0.03 0.00 1.61 -0.02 -1.26 -2.82 135.00 131.37 1sei n PRO 67 Ca 0.00 -0.81 0.00 0.00 -2.02 0.00 0.00 63.50 60.67 1sei n PRO 67 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1sei n PRO 67 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sei n ASN 68 N 10.82 0.00 -4.87 2.55 3.02 -1.26 -5.05 115.26 120.48 1sei n ASN 68 Ca 0.24 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.48 1sei n ASN 68 Cb 0.43 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 1sei n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1sei s GLU 69 N -0.12 3.87 0.10 3.52 8.01 -1.13 -5.02 118.70 127.93 1sei s GLU 69 Ca 0.00 0.48 -0.31 0.00 0.01 0.00 0.00 54.97 55.16 1sei s GLU 69 Cb 0.00 -2.47 -0.07 0.00 -4.31 0.00 0.00 34.13 27.28 1sei s GLU 69 CO 0.00 0.13 1.31 1.03 0.01 0.00 0.00 175.26 177.73 1sei s ARG 70 N -3.28 4.37 0.11 1.61 0.52 -1.26 0.04 118.95 121.05 1sei s ARG 70 Ca 0.51 1.95 0.07 0.00 -0.52 0.00 0.00 55.73 57.74 1sei s ARG 70 Cb -0.10 -3.28 -0.21 0.00 0.52 0.00 0.00 34.95 31.87 1sei s ARG 70 CO 0.24 -0.35 1.24 0.28 0.02 0.00 0.00 175.30 176.72 1sei h VAL 71 N 4.31 1.66 -3.55 3.52 2.07 -1.88 -3.43 116.25 118.95 1sei h VAL 71 Ca -0.42 -3.37 -0.61 0.00 0.82 0.00 0.00 66.70 63.12 1sei h VAL 71 Cb 1.21 2.83 -0.13 0.00 -1.52 0.00 0.00 31.29 33.68 1sei h VAL 71 CO 0.84 0.95 -0.24 -0.63 0.02 0.00 0.00 177.57 178.51 1sei s ILE 72 N -2.70 5.21 -0.14 4.57 1.01 -1.26 -4.96 121.20 122.92 1sei s ILE 72 Ca 0.00 0.62 0.11 0.00 0.00 0.00 0.00 60.65 61.39 1sei s ILE 72 Cb 0.10 -3.70 -0.23 0.00 0.01 0.00 0.00 42.46 38.63 1sei s ILE 72 CO 0.82 0.24 0.27 0.41 0.00 0.00 0.00 174.94 176.68 1sei n THR 73 N 4.53 1.53 -3.56 2.92 -1.04 -1.25 -5.02 114.28 112.39 1sei n THR 73 Ca -0.09 -0.78 -0.13 0.00 -2.04 0.00 0.00 64.05 61.02 1sei n THR 73 Cb 0.51 -0.94 -0.05 0.00 -1.82 0.00 0.00 70.33 68.03 1sei n THR 73 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1sei s GLY 74 N -5.50 -0.36 -0.02 3.41 0.00 -1.26 -4.98 107.32 98.60 1sei s GLY 74 Ca -0.13 1.82 0.00 0.00 0.00 0.00 0.00 44.72 46.41 1sei s GLY 74 CO 0.79 1.02 0.01 1.08 0.00 0.00 0.00 173.10 176.00 1sei s LEU 75 N -1.11 1.39 -0.01 0.66 1.43 -1.26 -1.36 118.68 118.41 1sei s LEU 75 Ca -0.05 -0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1sei s LEU 75 Cb -0.00 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.10 1sei s LEU 75 CO 0.04 -0.08 0.03 -0.75 0.23 0.00 0.00 176.35 175.83 1sei s LYS 76 N 0.72 0.05 -0.11 1.70 2.20 -0.47 -4.97 119.74 118.85 1sei s LYS 76 Ca -0.07 0.03 -0.20 0.00 -0.36 0.00 0.00 55.97 55.37 1sei s LYS 76 Cb -0.09 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 1sei s LYS 76 CO -0.02 -0.01 0.57 0.50 -0.36 0.00 0.00 175.35 176.03 1sei s ARG 77 N -0.03 4.35 0.00 4.03 3.00 -1.26 -1.13 118.95 127.90 1sei s ARG 77 Ca -0.01 0.60 0.00 0.00 -1.00 0.00 0.00 55.73 55.33 1sei s ARG 77 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.48 1sei s ARG 77 CO 0.00 0.07 0.00 -0.89 0.00 0.00 0.00 175.30 174.48 1sei n ILE 78 N 3.86 0.00 -1.89 4.11 2.08 -0.23 -4.93 119.36 122.37 1sei n ILE 78 Ca -0.04 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.85 1sei n ILE 78 Cb 0.51 -0.75 -0.03 0.00 -0.75 0.00 0.00 39.64 38.63 1sei n ILE 78 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1sei s SER 79 N -1.00 6.54 0.17 4.38 0.15 -0.05 -4.86 113.70 119.02 1sei s SER 79 Ca 0.00 2.67 -0.14 0.00 0.70 0.00 0.00 55.95 59.19 1sei s SER 79 Cb 0.00 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1sei s SER 79 CO 0.00 -0.86 0.40 -1.59 1.20 0.00 0.00 173.24 172.40 1sei s LYS 80 N 1.11 1.22 0.12 5.44 -2.85 -0.62 -4.71 119.74 119.45 1sei s LYS 80 Ca 0.71 -0.95 -0.35 0.00 -1.00 0.00 0.00 55.97 54.38 1sei s LYS 80 Cb -0.45 0.45 -0.16 0.00 -2.06 0.00 0.00 37.83 35.61 1sei s LYS 80 CO 0.32 -0.48 1.33 -2.30 0.10 0.00 0.00 175.35 174.32 1sei n PRO 81 N -0.26 1.28 0.00 1.78 -0.02 -1.26 0.12 135.00 136.64 1sei n PRO 81 Ca -0.10 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1sei n PRO 81 Cb 0.63 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1sei n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sei n GLY 82 N 2.51 2.60 2.54 -1.23 0.00 -1.26 -4.83 105.19 105.52 1sei n GLY 82 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1sei n GLY 82 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sei n LEU 83 N 0.00 -1.72 -4.75 0.99 7.94 0.12 -5.13 117.00 114.45 1sei n LEU 83 Ca 0.00 -3.85 -0.40 0.00 -1.11 0.00 0.00 56.01 50.64 1sei n LEU 83 Cb 0.00 0.77 -0.04 0.00 0.53 0.00 0.00 43.42 44.68 1sei n LEU 83 CO 0.00 2.03 0.80 -0.13 -1.11 0.00 0.00 177.39 178.98 1sei s ARG 84 N -0.05 4.63 -0.34 1.96 3.00 -1.11 -1.58 118.95 125.45 1sei s ARG 84 Ca 0.33 1.79 0.03 0.00 0.00 0.00 0.00 55.73 57.88 1sei s ARG 84 Cb 0.21 -3.21 0.10 0.00 0.00 0.00 0.00 34.95 32.06 1sei s ARG 84 CO -0.19 0.18 0.07 0.08 0.00 0.00 0.00 175.30 175.44 1sei s VAL 85 N -0.95 1.87 0.02 3.52 1.01 -1.26 -4.92 120.40 119.69 1sei s VAL 85 Ca 0.46 -2.11 0.05 0.00 0.00 0.00 0.00 61.98 60.37 1sei s VAL 85 Cb -0.32 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1sei s VAL 85 CO 0.40 -0.63 -0.10 -0.47 0.00 0.00 0.00 175.10 174.30 1sei s TYR 86 N 1.06 2.79 -0.03 5.22 5.04 -1.26 -0.68 117.35 129.49 1sei s TYR 86 Ca 0.11 -0.11 0.01 0.00 -2.44 0.00 0.00 57.07 54.64 1sei s TYR 86 Cb -0.19 -1.55 0.02 0.00 0.35 0.00 0.00 41.96 40.59 1sei s TYR 86 CO -0.13 0.35 -0.02 0.54 -1.34 0.00 0.00 175.55 174.95 1sei s VAL 87 N -1.00 0.27 0.78 3.14 0.11 0.13 -4.98 120.40 118.86 1sei s VAL 87 Ca 0.17 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 1sei s VAL 87 Cb -0.11 -0.33 0.06 0.00 -1.53 0.00 0.00 36.38 34.47 1sei s VAL 87 CO 0.08 0.15 1.09 -0.54 -3.33 0.00 0.00 175.10 172.55 1sei s LYS 88 N 0.77 2.22 0.25 1.54 1.02 -1.26 -0.79 119.74 123.48 1sei s LYS 88 Ca -0.08 0.68 -0.06 0.00 0.02 0.00 0.00 55.97 56.53 1sei s LYS 88 Cb -0.11 -1.93 0.46 0.00 -0.52 0.00 0.00 37.83 35.72 1sei s LYS 88 CO -0.01 -1.53 1.64 0.00 -0.92 0.00 0.00 175.35 174.53 1sei h ALA 89 N -1.03 0.83 0.00 5.17 0.00 -1.90 0.18 119.26 122.52 1sei h ALA 89 Ca -0.46 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1sei h ALA 89 Cb 1.26 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1sei h ALA 89 CO 0.59 -0.42 0.00 1.12 0.00 0.00 0.00 179.25 180.54 1sei h HIS 90 N 0.12 0.00 -0.26 0.00 2.07 -1.92 -3.09 115.15 112.08 1sei h HIS 90 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 1sei h HIS 90 Cb 0.75 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.73 1sei h HIS 90 CO -0.40 0.00 0.00 -0.85 -3.07 0.00 0.00 177.93 173.61 1sei n GLU 91 N -2.79 2.28 -1.68 5.12 0.28 0.60 -4.95 120.64 119.50 1sei n GLU 91 Ca 0.01 -2.07 -0.43 0.00 -0.16 0.00 0.00 57.16 54.50 1sei n GLU 91 Cb 0.28 -1.46 -0.03 0.00 1.43 0.00 0.00 31.44 31.66 1sei n GLU 91 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1sei n VAL 92 N 1.32 0.44 -1.71 3.84 0.31 -1.04 -4.84 118.33 116.66 1sei n VAL 92 Ca 0.16 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 1sei n VAL 92 Cb 0.56 -2.10 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 1sei n VAL 92 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1sei n PRO 93 N 5.97 2.28 -3.06 5.55 -0.04 -1.26 -4.93 135.00 139.52 1sei n PRO 93 Ca 0.19 0.80 -0.44 0.00 -0.04 0.00 0.00 63.50 64.01 1sei n PRO 93 Cb 0.37 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 1sei n PRO 93 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1sei s ARG 94 N -1.45 3.18 -0.34 0.54 3.52 -1.26 -4.80 118.95 118.35 1sei s ARG 94 Ca 0.59 -1.41 -0.26 0.00 -0.13 0.00 0.00 55.73 54.52 1sei s ARG 94 Cb -0.56 -4.37 0.01 0.00 -1.56 0.00 0.00 34.95 28.47 1sei s ARG 94 CO 0.58 -1.60 0.91 0.08 -0.81 0.00 0.00 175.30 174.46 1sei s VAL 95 N 2.70 4.63 0.60 7.11 1.01 -1.26 -5.03 120.40 130.16 1sei s VAL 95 Ca 0.17 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 1sei s VAL 95 Cb -0.19 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1sei s VAL 95 CO 0.03 -0.45 1.05 0.18 0.00 0.00 0.00 175.10 175.92 1sei n LEU 96 N 6.63 4.18 -4.68 3.92 4.77 -1.26 -4.89 117.00 125.68 1sei n LEU 96 Ca 0.07 0.83 -0.42 0.00 -0.03 0.00 0.00 56.01 56.46 1sei n LEU 96 Cb 0.48 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 1sei n LEU 96 CO 0.56 -1.59 1.42 0.21 -1.33 0.00 0.00 177.39 176.66 1sei s ASN 97 N -1.22 6.56 0.00 -1.43 2.47 -1.26 -1.52 114.94 118.54 1sei s ASN 97 Ca 0.76 2.50 0.00 0.00 0.42 0.00 0.00 52.86 56.54 1sei s ASN 97 Cb -0.42 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.83 1sei s ASN 97 CO 0.47 -0.95 0.00 0.61 -3.72 0.00 0.00 177.10 173.51 1sei n GLY 98 N 4.19 0.19 1.25 1.21 0.00 -1.26 -4.93 105.19 105.83 1sei n GLY 98 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1sei n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sei n LEU 99 N 0.00 3.69 0.00 0.99 4.32 -0.58 -5.08 117.00 120.35 1sei n LEU 99 Ca 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 56.01 54.29 1sei n LEU 99 Cb 0.00 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1sei n LEU 99 CO 0.00 0.85 0.00 0.61 -1.22 0.00 0.00 177.39 177.63 1sei n GLY 100 N 1.59 -0.94 2.95 -0.72 0.00 -1.26 -4.86 105.19 101.94 1sei n GLY 100 Ca 0.22 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1sei n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sei s ILE 101 N 0.00 -0.02 -0.12 -0.61 1.09 0.60 -4.88 121.20 117.26 1sei s ILE 101 Ca 0.00 0.06 -0.06 0.00 -1.10 0.00 0.00 60.65 59.55 1sei s ILE 101 Cb 0.00 -0.16 -0.04 0.00 -1.06 0.00 0.00 42.46 41.20 1sei s ILE 101 CO 0.00 0.02 0.10 0.00 -0.10 0.00 0.00 174.94 174.96 1sei s ALA 102 N 0.40 3.69 -0.17 9.38 0.00 -1.26 -1.15 121.76 132.66 1sei s ALA 102 Ca -0.03 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1sei s ALA 102 Cb -0.04 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.22 1sei s ALA 102 CO -0.02 0.56 -0.14 0.42 0.00 0.00 0.00 175.76 176.58 1sei s ILE 103 N -0.82 2.70 0.05 0.00 1.01 0.74 -1.38 121.20 123.51 1sei s ILE 103 Ca 0.13 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1sei s ILE 103 Cb -0.12 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1sei s ILE 103 CO 0.03 0.50 -0.14 -0.76 0.00 0.00 0.00 174.94 174.57 1sei s LEU 104 N 0.97 2.82 -0.28 2.97 2.01 -0.28 -0.17 118.68 126.72 1sei s LEU 104 Ca -0.02 -0.38 -0.10 0.00 0.01 0.00 0.00 54.13 53.64 1sei s LEU 104 Cb -0.15 -1.65 -0.05 0.00 0.01 0.00 0.00 46.19 44.36 1sei s LEU 104 CO -0.02 0.24 0.17 -0.55 1.01 0.00 0.00 176.35 177.20 1sei s SER 105 N -1.67 5.88 0.42 2.29 0.15 0.65 -1.67 113.70 119.75 1sei s SER 105 Ca 0.17 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.80 1sei s SER 105 Cb -0.11 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1sei s SER 105 CO 0.08 -0.06 0.14 0.42 1.20 0.00 0.00 173.24 175.02 1sei s THR 106 N 1.74 0.56 0.32 6.45 -4.23 0.11 -1.60 115.64 118.98 1sei s THR 106 Ca 0.07 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.91 1sei s THR 106 Cb -0.16 -2.32 0.36 0.00 1.34 0.00 0.00 72.50 71.72 1sei s THR 106 CO 0.10 0.00 2.08 0.77 -0.54 0.00 0.00 174.62 177.03 1sei h SER 107 N 1.76 0.00 -0.58 3.99 4.64 -1.98 -1.00 113.55 120.39 1sei h SER 107 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1sei h SER 107 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1sei h SER 107 CO 0.55 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 1sei n GLN 108 N -3.27 4.10 0.00 4.77 6.02 -1.26 -5.06 117.38 122.68 1sei n GLN 108 Ca -0.01 -2.98 0.00 0.00 -0.01 0.00 0.00 57.00 54.01 1sei n GLN 108 Cb 0.25 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1sei n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sei n GLY 109 N 0.77 -1.72 3.69 1.08 0.00 -0.38 -4.91 105.19 103.72 1sei n GLY 109 Ca 0.26 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1sei n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sei s VAL 110 N 0.00 4.89 0.11 1.61 1.01 -1.26 -0.71 120.40 126.05 1sei s VAL 110 Ca 0.00 1.77 -0.04 0.00 0.00 0.00 0.00 61.98 63.71 1sei s VAL 110 Cb 0.00 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1sei s VAL 110 CO 0.00 0.10 0.11 -0.76 0.00 0.00 0.00 175.10 174.55 1sei s LEU 111 N 1.60 1.69 0.57 3.92 1.43 -0.67 -4.99 118.68 122.24 1sei s LEU 111 Ca 0.43 -0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1sei s LEU 111 Cb -0.18 0.60 0.01 0.00 0.03 0.00 0.00 46.19 46.65 1sei s LEU 111 CO 0.18 -0.74 0.86 0.42 0.23 0.00 0.00 176.35 177.31 1sei s THR 112 N -3.97 3.66 0.39 5.49 -4.23 -1.26 -1.12 115.64 114.60 1sei s THR 112 Ca 0.15 -0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.70 1sei s THR 112 Cb 0.06 -3.44 0.35 0.00 1.34 0.00 0.00 72.50 70.81 1sei s THR 112 CO -0.04 -0.43 1.88 -2.24 -0.54 0.00 0.00 174.62 173.25 1sei h ASP 113 N -0.09 0.50 -0.07 3.99 2.03 -1.56 0.11 116.42 121.34 1sei h ASP 113 Ca -0.45 0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 55.75 1sei h ASP 113 Cb 1.26 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1sei h ASP 113 CO 0.60 0.24 -0.40 0.50 -1.03 0.00 0.00 179.24 179.15 1sei h LYS 114 N 0.52 0.59 -0.05 4.15 3.64 -1.87 -1.95 116.57 121.60 1sei h LYS 114 Ca 0.44 -0.30 -0.21 0.00 -1.27 0.00 0.00 60.65 59.31 1sei h LYS 114 Cb 0.90 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1sei h LYS 114 CO -0.18 0.89 -0.84 0.93 -2.27 0.00 0.00 179.45 177.98 1sei h GLU 115 N 0.48 0.48 -0.65 1.90 5.08 -1.41 -2.50 114.58 117.97 1sei h GLU 115 Ca 0.04 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1sei h GLU 115 Cb 0.91 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1sei h GLU 115 CO 0.08 1.09 0.34 0.00 -1.00 0.00 0.00 179.01 179.52 1sei h ALA 116 N 0.77 0.84 -0.15 3.43 0.00 -0.91 0.63 119.26 123.86 1sei h ALA 116 Ca -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1sei h ALA 116 Cb 1.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1sei h ALA 116 CO 0.15 0.38 0.04 0.00 0.00 0.00 0.00 179.25 179.82 1sei h ARG 117 N 0.89 0.24 -0.07 0.00 3.08 -1.29 0.17 114.38 117.40 1sei h ARG 117 Ca 0.23 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 1sei h ARG 117 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1sei h ARG 117 CO -0.03 0.38 -0.18 -0.56 -1.07 0.00 0.00 179.97 178.51 1sei h GLN 118 N 0.05 0.11 0.00 0.04 3.07 -1.24 -2.27 115.11 114.87 1sei h GLN 118 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1sei h GLN 118 Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1sei h GLN 118 CO 0.00 0.29 -0.32 1.63 0.09 0.00 0.00 178.83 180.52 1sei n LYS 119 N -4.27 0.06 -2.85 0.06 5.02 0.19 -4.96 118.16 111.41 1sei n LYS 119 Ca -0.02 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 1sei n LYS 119 Cb 0.27 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 1sei n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sei n GLY 120 N 1.46 0.19 3.18 0.72 0.00 0.53 -5.05 105.19 106.22 1sei n GLY 120 Ca 0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1sei n GLY 120 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sei s THR 121 N -3.15 0.79 0.02 2.61 -1.32 -0.70 -4.91 115.64 108.98 1sei s THR 121 Ca 0.15 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 1sei s THR 121 Cb -0.07 -1.60 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 1sei s THR 121 CO 0.33 -0.78 0.01 0.61 -2.21 0.00 0.00 174.62 172.58 1sei n GLY 122 N 0.11 3.46 0.00 6.08 0.00 -1.26 -4.37 105.19 109.21 1sei n GLY 122 Ca -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.70 1sei n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sei n GLY 123 N 4.71 -1.15 3.70 -0.02 0.00 0.03 -4.58 105.19 107.88 1sei n GLY 123 Ca -0.00 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 1sei n GLY 123 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sei s GLU 124 N -1.46 4.28 -0.43 1.61 2.12 -0.63 -0.69 118.70 123.50 1sei s GLU 124 Ca 0.00 0.37 -0.26 0.00 0.36 0.00 0.00 54.97 55.44 1sei s GLU 124 Cb 0.00 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1sei s GLU 124 CO 0.00 0.08 0.96 0.42 -0.54 0.00 0.00 175.26 176.18 1sei s ILE 125 N 0.90 4.47 -0.12 -3.70 1.01 0.14 -0.25 121.20 123.65 1sei s ILE 125 Ca 0.24 1.00 0.21 0.00 0.00 0.00 0.00 60.65 62.09 1sei s ILE 125 Cb -0.15 -4.43 -0.20 0.00 0.01 0.00 0.00 42.46 37.69 1sei s ILE 125 CO 0.09 -0.76 0.63 2.30 0.00 0.00 0.00 174.94 177.21 1sei n ILE 126 N 6.33 0.55 -3.43 2.92 -5.35 0.76 -0.87 119.36 120.26 1sei n ILE 126 Ca 0.08 -0.59 -0.12 0.00 -0.27 0.00 0.00 62.75 61.84 1sei n ILE 126 Cb 0.48 -0.28 -0.02 0.00 -1.74 0.00 0.00 39.64 38.08 1sei n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sei s ALA 127 N -3.24 -1.59 -0.02 -1.28 0.00 -1.12 -1.07 121.76 113.44 1sei s ALA 127 Ca -0.05 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1sei s ALA 127 Cb 0.11 0.82 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1sei s ALA 127 CO 0.85 -0.74 -0.06 -0.47 0.00 0.00 0.00 175.76 175.35 1sei s TYR 128 N -3.57 0.62 -0.03 0.00 5.04 -0.29 -0.18 117.35 118.94 1sei s TYR 128 Ca 0.00 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.53 1sei s TYR 128 Cb -0.01 -0.45 0.00 0.00 0.35 0.00 0.00 41.96 41.85 1sei s TYR 128 CO -0.11 -0.06 -0.10 0.08 -1.34 0.00 0.00 175.55 174.01 1sei s VAL 129 N 0.16 0.89 0.00 3.14 1.01 -0.30 -1.37 120.40 123.93 1sei s VAL 129 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1sei s VAL 129 Cb -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1sei s VAL 129 CO -0.00 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.37