#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn s SER 2 N 0.00 -0.09 0.02 1.61 1.04 -1.26 -5.18 113.70 109.84 2yrn s SER 2 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2yrn s SER 2 Cb 0.00 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 2yrn s SER 2 CO 0.00 -0.68 -0.03 -0.44 0.98 0.00 0.00 173.24 173.07 2yrn s SER 3 N -2.36 0.30 -0.18 7.02 0.01 -1.26 -5.15 113.70 112.09 2yrn s SER 3 Ca -0.01 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 2yrn s SER 3 Cb 0.01 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 2yrn s SER 3 CO -0.07 -0.17 -0.08 -0.83 0.41 0.00 0.00 173.24 172.50 2yrn s GLY 4 N -0.95 1.58 0.56 3.44 0.00 -1.26 -5.10 107.32 105.60 2yrn s GLY 4 Ca -0.09 -1.03 -0.21 0.00 0.00 0.00 0.00 44.72 43.39 2yrn s GLY 4 CO -0.00 0.14 1.30 -0.45 0.00 0.00 0.00 173.10 174.09 2yrn s SER 5 N 0.93 5.26 -0.02 1.64 0.15 -1.26 -4.96 113.70 115.45 2yrn s SER 5 Ca -0.01 2.64 -0.01 0.00 0.70 0.00 0.00 55.95 59.26 2yrn s SER 5 Cb -0.15 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.53 2yrn s SER 5 CO 0.00 -1.56 -0.03 -1.20 1.20 0.00 0.00 173.24 171.65 2yrn n SER 6 N -1.17 0.16 -3.62 5.45 7.64 -1.26 -4.82 113.62 115.99 2yrn n SER 6 Ca 0.11 0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2yrn n SER 6 Cb 0.46 -0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2yrn n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrn n GLY 7 N 2.88 5.02 2.93 0.23 0.00 -1.26 -4.81 105.19 110.19 2yrn n GLY 7 Ca -0.04 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 2yrn n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yrn s LYS 8 N -0.48 0.39 -0.30 1.61 2.20 -1.26 -5.12 119.74 116.77 2yrn s LYS 8 Ca 0.49 0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 56.39 2yrn s LYS 8 Cb 0.15 -0.34 0.18 0.00 -1.51 0.00 0.00 37.83 36.31 2yrn s LYS 8 CO -0.05 -0.75 1.13 0.50 -0.36 0.00 0.00 175.35 175.81 2yrn s ARG 9 N 2.57 0.17 0.31 4.03 3.52 -1.26 -5.10 118.95 123.19 2yrn s ARG 9 Ca 0.13 0.42 -0.26 0.00 -0.13 0.00 0.00 55.73 55.88 2yrn s ARG 9 Cb -0.15 0.25 -0.14 0.00 -1.56 0.00 0.00 34.95 33.35 2yrn s ARG 9 CO -0.20 -0.07 0.72 1.17 -0.81 0.00 0.00 175.30 176.11 2yrn n LYS 10 N 4.85 0.74 -2.24 5.12 4.81 -1.26 -4.88 118.16 125.29 2yrn n LYS 10 Ca -0.08 0.26 -0.41 0.00 -0.87 0.00 0.00 58.31 57.22 2yrn n LYS 10 Cb 0.54 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 34.05 2yrn n LYS 10 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2yrn s PRO 11 N -1.42 4.43 0.35 1.64 0.04 -1.26 -4.96 135.00 133.82 2yrn s PRO 11 Ca 0.61 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 2yrn s PRO 11 Cb -0.73 -3.15 -0.12 0.00 0.04 0.00 0.00 34.50 30.54 2yrn s PRO 11 CO 0.58 -0.12 1.26 1.55 0.04 0.00 0.00 177.00 180.31 2yrn n VAL 12 N 1.67 2.06 -2.30 -0.36 3.14 -1.26 -4.93 118.33 116.34 2yrn n VAL 12 Ca 0.02 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.52 2yrn n VAL 12 Cb 0.43 -1.52 -0.02 0.00 -1.06 0.00 0.00 33.84 31.67 2yrn n VAL 12 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2yrn s ILE 13 N -1.11 3.17 -0.76 1.55 -1.09 -1.26 -4.98 121.20 116.73 2yrn s ILE 13 Ca 0.56 0.99 0.03 0.00 -2.23 0.00 0.00 60.65 60.00 2yrn s ILE 13 Cb -0.57 -3.56 0.32 0.00 -1.58 0.00 0.00 42.46 37.08 2yrn s ILE 13 CO 0.62 0.09 1.25 1.41 -1.23 0.00 0.00 174.94 177.08 2yrn n HIS 14 N 0.11 3.52 -1.43 3.97 8.25 -1.26 -5.00 115.22 123.38 2yrn n HIS 14 Ca 0.04 -3.47 -0.43 0.00 -0.26 0.00 0.00 57.72 53.60 2yrn n HIS 14 Cb 0.46 -0.77 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 2yrn n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yrn n GLY 15 N -0.02 -1.68 0.33 -1.41 0.00 -1.26 -4.18 105.19 96.97 2yrn n GLY 15 Ca 0.36 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 2yrn n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrn n LEU 16 N 1.58 -0.81 -0.27 0.99 4.77 -1.26 0.15 117.00 122.15 2yrn n LEU 16 Ca 0.12 1.42 -0.02 0.00 -0.03 0.00 0.00 56.01 57.50 2yrn n LEU 16 Cb 0.37 -0.20 0.16 0.00 -2.33 0.00 0.00 43.42 41.42 2yrn n LEU 16 CO 0.55 -1.17 1.19 1.05 -1.33 0.00 0.00 177.39 177.68 2yrn h GLU 17 N 0.00 1.12 0.00 3.23 9.09 -1.99 -1.44 114.58 124.59 2yrn h GLU 17 Ca 0.15 -0.11 -0.03 0.00 0.05 0.00 0.00 59.36 59.41 2yrn h GLU 17 Cb 0.35 -0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 27.21 2yrn h GLU 17 CO -0.76 0.80 -0.16 -0.44 0.05 0.00 0.00 179.01 178.50 2yrn h ASP 18 N 1.13 0.00 -0.39 3.06 3.32 0.11 -2.69 116.42 120.96 2yrn h ASP 18 Ca 0.29 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 2yrn h ASP 18 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2yrn h ASP 18 CO -0.05 0.16 -0.32 1.56 -1.72 0.00 0.00 179.24 178.87 2yrn h GLN 19 N 0.00 0.91 -0.47 3.56 4.20 0.14 -3.14 115.11 120.30 2yrn h GLN 19 Ca -0.00 -0.45 0.08 0.00 0.06 0.00 0.00 58.65 58.33 2yrn h GLN 19 Cb 0.41 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.10 2yrn h GLN 19 CO 0.02 1.11 -0.42 -0.22 -0.67 0.00 0.00 178.83 178.65 2yrn h LYS 20 N 0.73 -0.27 -0.05 1.46 3.64 -1.35 -1.34 116.57 119.39 2yrn h LYS 20 Ca 0.07 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2yrn h LYS 20 Cb 0.90 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 2yrn h LYS 20 CO 0.08 -0.18 -0.19 -0.09 -2.27 0.00 0.00 179.45 176.81 2yrn h ARG 21 N -0.28 -0.27 -0.79 1.90 2.43 -1.66 0.47 114.38 116.18 2yrn h ARG 21 Ca 0.16 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.53 2yrn h ARG 21 Cb 0.57 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.04 2yrn h ARG 21 CO -0.62 -0.18 -0.07 0.82 -1.51 0.00 0.00 179.97 178.41 2yrn h ILE 22 N -0.28 0.25 -0.20 1.20 2.04 -1.24 0.34 117.51 119.63 2yrn h ILE 22 Ca 0.07 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 2yrn h ILE 22 Cb 0.38 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2yrn h ILE 22 CO -0.21 0.01 -0.13 1.88 0.00 0.00 0.00 178.15 179.70 2yrn h TYR 23 N 0.05 0.52 -0.45 1.37 0.05 -0.72 -2.82 116.97 114.98 2yrn h TYR 23 Ca 0.42 -0.14 0.07 0.00 0.05 0.00 0.00 58.73 59.14 2yrn h TYR 23 Cb 0.72 -0.12 -0.09 0.00 1.01 0.00 0.00 36.73 38.25 2yrn h TYR 23 CO -0.51 0.76 -0.42 1.15 -1.05 0.00 0.00 178.16 178.09 2yrn h THR 24 N 0.13 0.12 -0.87 -2.88 2.02 0.11 0.11 112.91 111.65 2yrn h THR 24 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2yrn h THR 24 Cb 0.64 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 2yrn h THR 24 CO 0.04 0.00 0.58 -0.78 0.37 0.00 0.00 175.52 175.72 2yrn h ASP 25 N -0.30 0.95 0.19 4.18 1.82 -1.31 1.00 116.42 122.96 2yrn h ASP 25 Ca 0.15 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2yrn h ASP 25 Cb 0.58 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 2yrn h ASP 25 CO -0.60 0.66 -0.17 -0.25 -1.61 0.00 0.00 179.24 177.27 2yrn h TRP 26 N 1.11 -0.45 -0.41 0.28 7.01 -0.60 -2.76 115.95 120.13 2yrn h TRP 26 Ca 0.34 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 61.23 2yrn h TRP 26 Cb -0.01 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 2yrn h TRP 26 CO -0.00 -0.26 -0.20 0.00 -2.79 0.00 0.00 178.44 175.19 2yrn h ALA 27 N 0.38 0.89 -0.97 2.65 0.00 -0.70 -3.02 119.26 118.49 2yrn h ALA 27 Ca -0.00 -0.36 0.27 0.00 0.00 0.00 0.00 54.91 54.81 2yrn h ALA 27 Cb 0.36 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 2yrn h ALA 27 CO -0.03 0.63 0.50 -0.91 0.00 0.00 0.00 179.25 179.44 2yrn h ASN 28 N 0.69 0.47 0.40 0.00 -0.26 -0.52 -1.79 115.58 114.57 2yrn h ASN 28 Ca 0.10 0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.99 2yrn h ASN 28 Cb 0.71 0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2yrn h ASN 28 CO 0.05 -0.03 -0.28 -0.74 -1.06 0.00 0.00 177.43 175.37 2yrn h HIS 29 N 0.41 -0.74 -1.31 1.19 2.76 -1.38 0.33 115.15 116.41 2yrn h HIS 29 Ca 0.65 -0.00 0.39 0.00 -2.20 0.00 0.00 60.37 59.20 2yrn h HIS 29 Cb 1.34 0.27 -0.09 0.00 1.55 0.00 0.00 27.41 30.48 2yrn h HIS 29 CO -0.06 -0.40 0.89 1.88 -1.30 0.00 0.00 177.93 178.94 2yrn h TYR 30 N -0.64 0.32 -0.05 5.26 0.05 -1.46 0.40 116.97 120.84 2yrn h TYR 30 Ca -0.05 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 2yrn h TYR 30 Cb 0.52 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2yrn h TYR 30 CO -0.05 -0.05 -0.17 -0.07 -1.05 0.00 0.00 178.16 176.77 2yrn h LEU 31 N 0.12 0.24 0.25 3.88 3.38 -0.84 -2.67 115.31 119.68 2yrn h LEU 31 Ca 0.71 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2yrn h LEU 31 Cb 2.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 43.08 2yrn h LEU 31 CO -0.21 0.81 -0.12 0.00 0.09 0.00 0.00 178.44 179.02 2yrn h ALA 32 N 0.43 -0.33 -0.84 1.53 0.00 0.18 0.47 119.26 120.70 2yrn h ALA 32 Ca -0.01 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.94 2yrn h ALA 32 Cb 0.79 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2yrn h ALA 32 CO 0.04 -0.54 0.57 1.57 0.00 0.00 0.00 179.25 180.88 2yrn h LYS 33 N -0.62 0.29 -1.06 0.00 2.10 -0.61 0.27 116.57 116.93 2yrn h LYS 33 Ca -0.03 -0.02 -0.35 0.00 -2.00 0.00 0.00 60.65 58.25 2yrn h LYS 33 Cb 0.45 -0.06 -0.20 0.00 -0.90 0.00 0.00 32.23 31.51 2yrn h LYS 33 CO 0.06 0.19 0.45 0.45 -2.00 0.00 0.00 179.45 178.59 2yrn n SER 34 N -4.45 4.05 -4.00 7.07 2.88 -1.01 -4.91 113.62 113.26 2yrn n SER 34 Ca 0.17 -3.08 -0.37 0.00 -1.33 0.00 0.00 58.87 54.27 2yrn n SER 34 Cb 0.71 -0.77 0.01 0.00 -0.75 0.00 0.00 64.21 63.41 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 35 N -0.47 -0.66 0.09 0.46 0.00 0.94 -4.82 105.19 100.73 2yrn n GLY 35 Ca 0.39 0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.79 2yrn n GLY 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2yrn n HIS 36 N -4.11 0.77 -3.77 1.61 -0.00 0.14 -4.96 115.22 104.90 2yrn n HIS 36 Ca -0.09 0.22 -0.28 0.00 -0.00 0.00 0.00 57.72 57.57 2yrn n HIS 36 Cb 0.44 -0.82 0.03 0.00 -0.00 0.00 0.00 29.99 29.65 2yrn n HIS 36 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2yrn n LYS 37 N -2.46 -5.82 -3.57 1.57 4.76 -1.26 -4.94 118.16 106.44 2yrn n LYS 37 Ca 0.01 0.65 -0.09 0.00 -2.87 0.00 0.00 58.31 56.01 2yrn n LYS 37 Cb 0.51 -5.56 -0.04 0.00 -1.84 0.00 0.00 35.03 28.10 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2yrn s ARG 38 N -6.48 0.57 0.30 1.97 3.52 -1.26 -5.15 118.95 112.41 2yrn s ARG 38 Ca 0.62 -0.01 0.03 0.00 -0.13 0.00 0.00 55.73 56.24 2yrn s ARG 38 Cb -0.30 0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 33.30 2yrn s ARG 38 CO 0.76 -0.21 0.08 -0.51 -0.81 0.00 0.00 175.30 174.61 2yrn s LEU 39 N -1.59 1.95 -0.43 -0.88 1.43 -1.26 -4.55 118.68 113.35 2yrn s LEU 39 Ca 0.02 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.56 2yrn s LEU 39 Cb -0.01 -0.21 0.03 0.00 0.03 0.00 0.00 46.19 46.03 2yrn s LEU 39 CO -0.03 -0.66 0.49 -0.63 0.23 0.00 0.00 176.35 175.75 2yrn s ILE 40 N -3.49 5.02 -0.07 -0.59 1.01 -1.26 -4.95 121.20 116.86 2yrn s ILE 40 Ca 0.37 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 2yrn s ILE 40 Cb 0.08 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 2yrn s ILE 40 CO 0.15 -0.49 0.17 -0.09 0.00 0.00 0.00 174.94 174.68 2yrn h ARG 41 N 8.78 -0.13 -4.86 2.79 2.43 -1.99 -3.45 114.38 117.95 2yrn h ARG 41 Ca -0.26 0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 58.24 2yrn h ARG 41 Cb 1.11 0.03 -0.32 0.00 -0.42 0.00 0.00 29.97 30.37 2yrn h ARG 41 CO 0.83 -0.09 -0.73 0.16 -1.51 0.00 0.00 179.97 178.63 2yrn s ASP 42 N -5.10 4.52 0.33 -3.80 1.47 -1.26 -4.98 116.67 107.85 2yrn s ASP 42 Ca -0.02 -1.00 0.01 0.00 1.18 0.00 0.00 52.55 52.72 2yrn s ASP 42 Cb 0.00 -1.68 0.56 0.00 -0.34 0.00 0.00 42.92 41.46 2yrn s ASP 42 CO 0.06 -0.17 1.99 0.25 0.68 0.00 0.00 175.17 177.98 2yrn h LEU 43 N 8.01 0.80 -0.79 2.11 5.85 -1.91 1.32 115.31 130.70 2yrn h LEU 43 Ca -0.29 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2yrn h LEU 43 Cb 1.09 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2yrn h LEU 43 CO 0.56 0.59 0.00 1.56 -0.34 0.00 0.00 178.44 180.81 2yrn h GLN 44 N 0.94 0.00 -0.00 1.25 4.20 -1.94 -2.77 115.11 116.80 2yrn h GLN 44 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2yrn h GLN 44 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2yrn h GLN 44 CO -0.05 0.00 -0.12 1.04 -0.67 0.00 0.00 178.83 179.03 2yrn n GLN 45 N -2.39 3.38 0.06 1.46 1.13 -0.08 -4.01 117.38 116.92 2yrn n GLN 45 Ca 0.02 -0.29 -0.15 0.00 -1.94 0.00 0.00 57.00 54.63 2yrn n GLN 45 Cb 0.25 -0.84 -0.14 0.00 0.11 0.00 0.00 30.24 29.62 2yrn n GLN 45 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2yrn h ASP 46 N 0.34 0.32 -0.87 1.08 3.58 0.19 -3.33 116.42 117.73 2yrn h ASP 46 Ca 0.00 -0.45 -0.51 0.00 0.42 0.00 0.00 57.03 56.49 2yrn h ASP 46 Cb 0.13 -0.11 -0.28 0.00 1.72 0.00 0.00 39.33 40.80 2yrn h ASP 46 CO 0.00 1.38 0.50 1.33 -2.88 0.00 0.00 179.24 179.57 2yrn n VAL 47 N -3.41 3.17 0.04 2.25 0.24 -1.13 -3.89 118.33 115.61 2yrn n VAL 47 Ca -0.15 -2.48 -0.16 0.00 -2.04 0.00 0.00 64.34 59.51 2yrn n VAL 47 Cb 1.03 -0.67 -0.14 0.00 -1.47 0.00 0.00 33.84 32.59 2yrn n VAL 47 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2yrn h THR 48 N 1.07 1.04 0.00 3.34 1.35 -1.78 -3.37 112.91 114.56 2yrn h THR 48 Ca 0.54 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 2yrn h THR 48 Cb 2.01 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 71.10 2yrn h THR 48 CO 1.10 0.78 -1.24 0.47 -0.25 0.00 0.00 175.52 176.37 2yrn n ASP 49 N -3.38 0.91 0.00 5.36 8.00 -1.26 -4.59 116.55 121.59 2yrn n ASP 49 Ca -0.18 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2yrn n ASP 49 Cb 1.04 1.36 0.00 0.00 -0.02 0.00 0.00 41.12 43.50 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yrn n GLY 50 N 1.45 2.93 0.00 0.44 0.00 -1.26 -4.53 105.19 104.23 2yrn n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2yrn n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yrn n VAL 51 N -1.99 0.00 -0.23 1.61 0.31 -1.26 -1.54 118.33 115.22 2yrn n VAL 51 Ca 0.00 1.41 0.11 0.00 -0.01 0.00 0.00 64.34 65.85 2yrn n VAL 51 Cb 0.00 -2.41 0.40 0.00 -0.91 0.00 0.00 33.84 30.92 2yrn n VAL 51 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2yrn h LEU 52 N 0.00 0.61 0.26 7.52 6.46 -1.90 -2.22 115.31 126.03 2yrn h LEU 52 Ca 0.00 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2yrn h LEU 52 Cb 0.00 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 2yrn h LEU 52 CO 0.00 0.33 -0.32 0.25 -0.62 0.00 0.00 178.44 178.08 2yrn h LEU 53 N 0.65 -0.88 -0.47 2.25 5.85 -1.66 -2.71 115.31 118.34 2yrn h LEU 53 Ca 0.40 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.28 2yrn h LEU 53 Cb 0.64 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2yrn h LEU 53 CO -0.17 -0.44 0.13 0.00 -0.34 0.00 0.00 178.44 177.62 2yrn h ALA 54 N -0.07 0.54 -1.00 1.25 0.00 -0.69 -1.74 119.26 117.56 2yrn h ALA 54 Ca -0.00 0.08 0.37 0.00 0.00 0.00 0.00 54.91 55.36 2yrn h ALA 54 Cb 0.60 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 2yrn h ALA 54 CO -0.10 -0.28 0.61 1.04 0.00 0.00 0.00 179.25 180.52 2yrn n GLN 55 N -5.06 -0.04 -0.06 0.00 6.02 -0.98 -0.21 117.38 117.04 2yrn n GLN 55 Ca 0.05 1.08 -0.05 0.00 -0.01 0.00 0.00 57.00 58.07 2yrn n GLN 55 Cb 0.21 -2.04 -0.04 0.00 1.02 0.00 0.00 30.24 29.39 2yrn n GLN 55 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2yrn h ILE 56 N 0.00 0.53 -0.74 5.09 5.03 -1.34 -3.28 117.51 122.80 2yrn h ILE 56 Ca 0.71 -1.41 0.11 0.00 -0.12 0.00 0.00 64.86 64.16 2yrn h ILE 56 Cb 2.13 1.01 -0.13 0.00 -3.03 0.00 0.00 36.82 36.80 2yrn h ILE 56 CO -0.49 0.18 -0.41 0.40 -0.68 0.00 0.00 178.15 177.15 2yrn h ILE 57 N -1.00 0.08 -0.79 -0.67 2.04 -0.43 1.00 117.51 117.73 2yrn h ILE 57 Ca -0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 2yrn h ILE 57 Cb 0.33 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2yrn h ILE 57 CO -0.00 0.00 0.56 1.56 0.00 0.00 0.00 178.15 180.27 2yrn h GLN 58 N -0.12 0.08 0.00 2.37 4.20 -1.16 0.51 115.11 120.99 2yrn h GLN 58 Ca 0.24 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2yrn h GLN 58 Cb 0.56 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2yrn h GLN 58 CO -0.80 0.05 -0.05 0.28 -0.67 0.00 0.00 178.83 177.65 2yrn h VAL 59 N 0.08 0.00 -0.11 -0.54 2.07 0.76 0.30 116.25 118.82 2yrn h VAL 59 Ca 0.38 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2yrn h VAL 59 Cb 1.41 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2yrn h VAL 59 CO -0.04 0.00 0.26 1.62 0.02 0.00 0.00 177.57 179.44 2yrn h VAL 60 N -0.66 0.17 -0.01 2.57 3.04 -0.17 0.29 116.25 121.48 2yrn h VAL 60 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2yrn h VAL 60 Cb 0.05 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2yrn h VAL 60 CO 0.00 0.00 -0.37 0.00 -1.01 0.00 0.00 177.57 176.19 2yrn n ALA 61 N -2.09 3.21 -2.70 3.17 0.00 0.18 -4.89 120.51 117.38 2yrn n ALA 61 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.81 2yrn n ALA 61 Cb 0.35 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.32 2yrn n ALA 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2yrn n ASN 62 N -0.47 -4.23 -4.49 0.00 5.15 0.10 -4.94 115.26 106.39 2yrn n ASN 62 Ca 0.05 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.80 2yrn n ASN 62 Cb 0.27 -3.54 -0.11 0.00 -0.53 0.00 0.00 39.78 35.87 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2yrn s GLU 63 N -5.32 1.71 -0.04 1.20 2.56 0.72 -4.98 118.70 114.54 2yrn s GLU 63 Ca 0.12 -1.93 0.05 0.00 0.00 0.00 0.00 54.97 53.21 2yrn s GLU 63 Cb -0.06 -1.16 -0.01 0.00 2.00 0.00 0.00 34.13 34.90 2yrn s GLU 63 CO 0.15 -0.08 -0.21 0.21 -0.56 0.00 0.00 175.26 174.77 2yrn s LYS 64 N -3.79 2.06 -0.27 4.30 2.36 -1.26 -4.07 119.74 119.06 2yrn s LYS 64 Ca 0.34 -0.75 -0.08 0.00 -2.55 0.00 0.00 55.97 52.93 2yrn s LYS 64 Cb 0.08 -1.80 -0.02 0.00 -1.05 0.00 0.00 37.83 35.03 2yrn s LYS 64 CO 0.15 0.33 0.11 0.42 1.55 0.00 0.00 175.35 177.91 2yrn s ILE 65 N -0.13 4.51 -0.64 5.43 1.01 -1.26 -4.95 121.20 125.17 2yrn s ILE 65 Ca -0.02 -0.22 0.23 0.00 0.00 0.00 0.00 60.65 60.65 2yrn s ILE 65 Cb -0.12 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2yrn s ILE 65 CO 0.02 0.24 1.16 -0.62 0.00 0.00 0.00 174.94 175.74 2yrn n GLU 66 N 4.96 0.28 -0.26 2.79 1.02 -1.26 -3.95 120.64 124.21 2yrn n GLU 66 Ca -0.15 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.01 2yrn n GLU 66 Cb 0.51 -1.62 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 2yrn n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yrn n ASP 67 N -2.00 2.55 -4.60 1.62 9.92 -1.26 -4.82 116.55 117.96 2yrn n ASP 67 Ca 0.03 -2.29 -0.37 0.00 -0.53 0.00 0.00 54.79 51.62 2yrn n ASP 67 Cb 0.43 -0.56 -0.11 0.00 -0.64 0.00 0.00 41.12 40.25 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2yrn s ILE 68 N -1.23 5.22 0.24 0.53 -1.09 -1.25 -4.70 121.20 118.92 2yrn s ILE 68 Ca 0.14 0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 58.64 2yrn s ILE 68 Cb 0.11 -3.46 0.22 0.00 -1.58 0.00 0.00 42.46 37.75 2yrn s ILE 68 CO 0.04 0.30 1.69 -1.13 -1.23 0.00 0.00 174.94 174.60 2yrn h ASN 69 N 8.03 0.03 0.00 3.58 -0.73 -1.89 -3.46 115.58 121.14 2yrn h ASN 69 Ca -0.36 0.14 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2yrn h ASN 69 Cb 1.18 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.95 2yrn h ASN 69 CO 0.59 -0.02 0.00 0.61 -0.37 0.00 0.00 177.43 178.24 2yrn n GLY 70 N -1.35 2.16 2.43 1.57 0.00 -1.26 -4.74 105.19 104.00 2yrn n GLY 70 Ca 0.13 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2yrn n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrn s PRO 72 N -1.80 4.38 0.00 0.00 0.04 -1.26 -4.90 135.00 131.46 2yrn s PRO 72 Ca 0.36 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2yrn s PRO 72 Cb 0.12 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2yrn s PRO 72 CO -0.08 -0.27 0.00 0.36 0.04 0.00 0.00 177.00 177.05 2yrn n LYS 73 N 2.84 0.79 -0.76 4.56 -0.00 -1.26 -4.85 118.16 119.49 2yrn n LYS 73 Ca 0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.07 2yrn n LYS 73 Cb 0.43 -0.77 0.27 0.00 -0.00 0.00 0.00 35.03 34.95 2yrn n LYS 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2yrn s ASN 74 N -3.02 -0.09 -0.00 -5.58 2.47 -1.26 -4.94 114.94 102.51 2yrn s ASN 74 Ca 0.00 0.69 -0.22 0.00 0.42 0.00 0.00 52.86 53.74 2yrn s ASN 74 Cb 0.00 -0.95 -0.19 0.00 -1.45 0.00 0.00 41.25 38.66 2yrn s ASN 74 CO 0.00 -4.75 1.20 -0.09 -3.72 0.00 0.00 177.10 169.74 2yrn h ARG 75 N -3.01 0.25 0.02 0.43 9.65 -2.02 -3.33 114.38 116.37 2yrn h ARG 75 Ca -0.43 -0.18 -0.27 0.00 -1.10 0.00 0.00 59.98 57.99 2yrn h ARG 75 Cb 1.31 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.89 2yrn h ARG 75 CO 0.30 0.81 -1.46 0.66 2.80 0.00 0.00 179.97 183.08 2yrn h SER 76 N -0.26 0.06 -1.19 -3.80 4.64 -2.01 -3.35 113.55 107.65 2yrn h SER 76 Ca -0.01 -0.10 0.38 0.00 -0.47 0.00 0.00 61.79 61.60 2yrn h SER 76 Cb 0.83 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 62.77 2yrn h SER 76 CO 0.04 1.09 0.75 1.56 -0.87 0.00 0.00 176.83 179.40 2yrn h GLN 77 N 0.01 0.17 -0.05 4.77 4.20 -1.94 0.80 115.11 123.08 2yrn h GLN 77 Ca -0.19 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.26 2yrn h GLN 77 Cb 1.93 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 29.69 2yrn h GLN 77 CO 0.11 0.11 -0.93 0.52 -0.67 0.00 0.00 178.83 177.97 2yrn h MET 78 N 0.18 0.67 -0.32 1.46 2.86 -1.69 -3.29 114.93 114.79 2yrn h MET 78 Ca 0.77 -0.65 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2yrn h MET 78 Cb 2.20 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 33.98 2yrn h MET 78 CO -0.45 1.25 0.01 0.82 1.06 0.00 0.00 176.91 179.60 2yrn h ILE 79 N 0.41 0.78 -0.96 -1.22 1.08 0.45 -1.65 117.51 116.39 2yrn h ILE 79 Ca -0.09 -0.04 0.23 0.00 -0.39 0.00 0.00 64.86 64.57 2yrn h ILE 79 Cb 1.57 0.66 -0.12 0.00 -3.07 0.00 0.00 36.82 35.86 2yrn h ILE 79 CO 0.18 0.02 0.53 -0.33 -0.69 0.00 0.00 178.15 177.86 2yrn h GLU 80 N 0.11 0.51 0.00 2.37 4.39 -1.43 -1.74 114.58 118.80 2yrn h GLU 80 Ca 0.16 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2yrn h GLU 80 Cb 0.20 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2yrn h GLU 80 CO -0.25 0.34 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.00 2yrn h ASN 81 N 0.53 -0.09 -0.88 1.42 4.21 -1.39 0.45 115.58 119.83 2yrn h ASN 81 Ca 0.61 0.01 0.19 0.00 1.21 0.00 0.00 56.30 58.32 2yrn h ASN 81 Cb 1.15 0.03 -0.11 0.00 -1.12 0.00 0.00 38.32 38.27 2yrn h ASN 81 CO -0.49 -0.03 0.43 0.40 -1.29 0.00 0.00 177.43 176.46 2yrn h ILE 82 N -0.04 0.61 -0.27 2.81 5.03 -1.48 -0.87 117.51 123.31 2yrn h ILE 82 Ca 0.00 -0.18 0.06 0.00 -0.12 0.00 0.00 64.86 64.62 2yrn h ILE 82 Cb 0.04 0.03 -0.06 0.00 -3.03 0.00 0.00 36.82 33.80 2yrn h ILE 82 CO -0.02 0.10 -0.10 -0.78 -0.68 0.00 0.00 178.15 176.67 2yrn h ASP 83 N 0.53 -0.35 -0.82 1.72 3.58 -0.76 0.05 116.42 120.37 2yrn h ASP 83 Ca 0.52 0.09 0.09 0.00 0.42 0.00 0.00 57.03 58.15 2yrn h ASP 83 Cb 0.87 0.21 -0.07 0.00 1.72 0.00 0.00 39.33 42.06 2yrn h ASP 83 CO -0.44 -0.13 0.48 0.00 -2.88 0.00 0.00 179.24 176.26 2yrn h ALA 84 N 1.19 1.16 -0.43 -0.78 0.00 0.52 -0.91 119.26 120.01 2yrn h ALA 84 Ca 0.14 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2yrn h ALA 84 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2yrn h ALA 84 CO -0.30 0.13 -0.07 0.00 0.00 0.00 0.00 179.25 179.00 2yrn h LEU 86 N 0.68 0.67 -0.46 0.00 3.38 0.17 -1.31 115.31 118.44 2yrn h LEU 86 Ca 0.12 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 2yrn h LEU 86 Cb 0.53 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2yrn h LEU 86 CO 0.03 0.78 -0.59 0.78 0.09 0.00 0.00 178.44 179.53 2yrn h ASN 87 N 0.53 0.66 -0.58 -0.43 2.35 -1.06 -2.46 115.58 114.58 2yrn h ASN 87 Ca 0.12 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 2yrn h ASN 87 Cb 0.42 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2yrn h ASN 87 CO 0.01 1.10 0.17 0.15 -1.65 0.00 0.00 177.43 177.21 2yrn h PHE 88 N 0.44 0.96 -0.45 1.19 3.04 -0.84 -2.83 116.94 118.44 2yrn h PHE 88 Ca -0.00 -0.10 -0.09 0.00 3.98 0.00 0.00 57.97 61.76 2yrn h PHE 88 Cb 1.15 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 2yrn h PHE 88 CO 0.05 0.81 -0.06 -0.07 -2.02 0.00 0.00 178.31 177.01 2yrn h LEU 89 N 0.83 0.83 -2.15 0.59 3.38 -1.22 -2.68 115.31 114.89 2yrn h LEU 89 Ca 0.19 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2yrn h LEU 89 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2yrn h LEU 89 CO -0.00 0.97 0.20 0.00 0.09 0.00 0.00 178.44 179.70 2yrn h ALA 90 N 0.88 1.97 0.00 1.53 0.00 -1.28 0.49 119.26 122.85 2yrn h ALA 90 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2yrn h ALA 90 Cb 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2yrn h ALA 90 CO 0.04 -0.31 -0.82 0.00 0.00 0.00 0.00 179.25 178.15 2yrn h ALA 91 N 1.80 0.64 0.00 0.00 0.00 -1.24 -3.03 119.26 117.44 2yrn h ALA 91 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2yrn h ALA 91 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2yrn h ALA 91 CO -0.00 0.98 0.00 1.63 0.00 0.00 0.00 179.25 181.86 2yrn n LYS 92 N -3.60 0.09 0.00 0.00 4.76 0.13 -4.86 118.16 114.67 2yrn n LYS 92 Ca -0.01 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2yrn n LYS 92 Cb 0.78 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 2yrn n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yrn n GLY 93 N 0.92 1.88 3.60 0.72 0.00 -1.06 -5.08 105.19 106.17 2yrn n GLY 93 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2yrn n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yrn s ILE 94 N -2.00 3.68 -0.27 -0.61 1.01 -0.99 -4.94 121.20 117.08 2yrn s ILE 94 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 59.67 2yrn s ILE 94 Cb 0.00 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 2yrn s ILE 94 CO 0.00 0.41 0.83 0.21 0.00 0.00 0.00 174.94 176.39 2yrn s ASN 95 N -1.37 6.79 -0.00 3.58 3.84 -1.26 -3.92 114.94 122.58 2yrn s ASN 95 Ca 0.17 0.92 0.07 0.00 0.21 0.00 0.00 52.86 54.23 2yrn s ASN 95 Cb -0.11 -2.43 -0.10 0.00 -0.55 0.00 0.00 41.25 38.06 2yrn s ASN 95 CO 0.07 -0.57 0.24 2.30 -2.79 0.00 0.00 177.10 176.36 2yrn n ILE 96 N 5.38 0.00 -1.41 -5.21 -5.35 -1.26 -4.88 119.36 106.63 2yrn n ILE 96 Ca 0.05 -0.26 -0.50 0.00 -0.27 0.00 0.00 62.75 61.78 2yrn n ILE 96 Cb 0.48 0.70 -0.09 0.00 -1.74 0.00 0.00 39.64 38.98 2yrn n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yrn n GLN 97 N -1.44 0.58 0.00 6.28 6.02 -1.26 -1.04 117.38 126.52 2yrn n GLN 97 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2yrn n GLN 97 Cb 0.15 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.28 2yrn n GLN 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yrn n GLY 98 N 6.73 4.05 3.75 1.08 0.00 -1.26 -5.11 105.19 114.44 2yrn n GLY 98 Ca 0.49 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2yrn n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrn s LEU 99 N 0.00 4.44 -0.19 0.99 1.43 -0.21 -5.02 118.68 120.12 2yrn s LEU 99 Ca 0.00 2.48 0.01 0.00 -1.03 0.00 0.00 54.13 55.59 2yrn s LEU 99 Cb 0.00 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.62 2yrn s LEU 99 CO 0.00 -0.48 -0.18 -0.44 0.23 0.00 0.00 176.35 175.48 2yrn s SER 100 N -0.07 3.29 0.26 2.29 0.01 -1.26 -5.01 113.70 113.21 2yrn s SER 100 Ca 0.53 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 2yrn s SER 100 Cb -0.37 -1.44 0.55 0.00 0.21 0.00 0.00 66.02 64.97 2yrn s SER 100 CO 0.43 -0.04 1.68 0.00 0.41 0.00 0.00 173.24 175.72 2yrn h ALA 101 N 7.93 1.10 -0.72 1.44 0.00 -1.93 0.24 119.26 127.32 2yrn h ALA 101 Ca -0.40 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2yrn h ALA 101 Cb 1.12 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2yrn h ALA 101 CO 0.59 -0.35 0.44 1.49 0.00 0.00 0.00 179.25 181.42 2yrn h GLU 102 N 0.29 0.82 -0.25 0.00 4.81 -1.95 0.26 114.58 118.57 2yrn h GLU 102 Ca 0.47 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.49 2yrn h GLU 102 Cb 0.84 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2yrn h GLU 102 CO -0.54 0.54 -0.48 0.93 -0.73 0.00 0.00 179.01 178.74 2yrn h GLU 103 N 0.85 0.67 -0.35 1.92 5.08 -1.23 -2.70 114.58 118.82 2yrn h GLU 103 Ca 0.30 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2yrn h GLU 103 Cb 0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2yrn h GLU 103 CO -0.13 1.00 -0.18 0.82 -1.00 0.00 0.00 179.01 179.51 2yrn h ILE 104 N 0.53 1.29 -0.88 3.13 2.04 -0.04 -0.01 117.51 123.57 2yrn h ILE 104 Ca 0.03 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2yrn h ILE 104 Cb 1.02 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 2yrn h ILE 104 CO 0.10 0.43 0.51 -0.09 0.00 0.00 0.00 178.15 179.10 2yrn h ARG 105 N 0.52 1.20 0.00 2.37 2.43 -0.48 -1.80 114.38 118.62 2yrn h ARG 105 Ca 0.08 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2yrn h ARG 105 Cb 0.73 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2yrn h ARG 105 CO 0.05 0.85 -0.35 -0.91 -1.51 0.00 0.00 179.97 178.11 2yrn h ASN 106 N 1.21 0.00 0.00 -3.80 2.35 -1.39 -3.42 115.58 110.53 2yrn h ASN 106 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2yrn h ASN 106 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2yrn h ASN 106 CO -0.06 0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.68 2yrn n GLY 107 N -0.33 1.57 3.55 2.83 0.00 -0.68 -5.00 105.19 107.14 2yrn n GLY 107 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2yrn n GLY 107 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yrn s ASN 108 N -2.00 4.72 0.24 1.61 3.04 -0.05 -4.79 114.94 117.71 2yrn s ASN 108 Ca 0.00 0.70 -0.13 0.00 0.04 0.00 0.00 52.86 53.48 2yrn s ASN 108 Cb 0.00 -2.52 0.33 0.00 -1.54 0.00 0.00 41.25 37.52 2yrn s ASN 108 CO 0.00 -2.75 1.49 -0.11 -3.04 0.00 0.00 177.10 172.69 2yrn n LEU 109 N 14.88 -0.50 -0.28 3.21 7.94 -1.26 0.11 117.00 141.10 2yrn n LEU 109 Ca 0.31 1.66 0.10 0.00 -1.11 0.00 0.00 56.01 56.98 2yrn n LEU 109 Cb 0.53 -0.43 0.25 0.00 0.53 0.00 0.00 43.42 44.30 2yrn n LEU 109 CO 0.70 -1.54 0.97 0.11 -1.11 0.00 0.00 177.39 176.52 2yrn h LYS 110 N 0.00 0.29 0.40 1.96 1.79 -1.97 0.62 116.57 119.66 2yrn h LYS 110 Ca 0.39 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.82 2yrn h LYS 110 Cb 0.63 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2yrn h LYS 110 CO -0.97 0.19 -0.19 0.00 -1.08 0.00 0.00 179.45 177.40 2yrn h ALA 111 N 1.69 -0.68 -0.36 3.86 0.00 0.41 -3.05 119.26 121.14 2yrn h ALA 111 Ca 0.50 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.33 2yrn h ALA 111 Cb 0.94 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2yrn h ALA 111 CO -0.56 -0.64 -0.34 0.82 0.00 0.00 0.00 179.25 178.53 2yrn h ILE 112 N -0.87 0.00 -1.14 0.00 5.03 -0.79 0.27 117.51 120.01 2yrn h ILE 112 Ca -0.05 0.00 0.41 0.00 -0.12 0.00 0.00 64.86 65.09 2yrn h ILE 112 Cb 0.41 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.05 2yrn h ILE 112 CO 0.09 0.00 0.68 -0.07 -0.68 0.00 0.00 178.15 178.17 2yrn h LEU 113 N -0.16 0.33 -1.09 1.44 3.38 -1.02 1.07 115.31 119.26 2yrn h LEU 113 Ca 0.06 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2yrn h LEU 113 Cb 0.32 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2yrn h LEU 113 CO -0.42 -0.26 0.30 1.23 0.09 0.00 0.00 178.44 179.38 2yrn h GLY 114 N 0.11 1.01 0.51 0.83 0.00 -0.35 0.85 103.07 106.03 2yrn h GLY 114 Ca 0.81 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 2yrn h GLY 114 CO -0.58 0.47 -0.24 -2.00 0.00 0.00 0.00 176.54 174.18 2yrn h LEU 115 N 0.93 -0.58 -1.46 3.11 6.46 0.16 -2.25 115.31 121.67 2yrn h LEU 115 Ca 0.23 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2yrn h LEU 115 Cb 0.12 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2yrn h LEU 115 CO -0.03 -0.31 0.00 -0.26 -0.62 0.00 0.00 178.44 177.23 2yrn h PHE 116 N -0.90 0.00 0.04 1.25 0.04 -1.51 0.21 116.94 116.07 2yrn h PHE 116 Ca -0.07 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.47 2yrn h PHE 116 Cb 0.52 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.69 2yrn h PHE 116 CO 0.05 0.00 -0.91 0.35 -0.60 0.00 0.00 178.31 177.19 2yrn h PHE 117 N 0.00 0.85 0.13 -0.55 3.57 -0.67 -3.19 116.94 117.08 2yrn h PHE 117 Ca 0.00 -0.49 -0.34 0.00 3.53 0.00 0.00 57.97 60.67 2yrn h PHE 117 Cb 0.09 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2yrn h PHE 117 CO 0.00 1.33 -1.78 0.77 -2.23 0.00 0.00 178.31 176.40 2yrn h SER 118 N 0.14 0.42 -0.22 0.41 0.02 -0.75 -3.37 113.55 110.20 2yrn h SER 118 Ca -0.12 -0.90 0.05 0.00 -0.84 0.00 0.00 61.79 59.98 2yrn h SER 118 Cb 1.61 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.94 2yrn h SER 118 CO 0.18 1.77 -0.47 0.25 -1.14 0.00 0.00 176.83 177.43 2yrn h LEU 119 N -0.08 -1.49 -0.90 5.07 5.85 -0.76 -0.55 115.31 122.44 2yrn h LEU 119 Ca -0.38 0.20 0.25 0.00 0.84 0.00 0.00 57.88 58.78 2yrn h LEU 119 Cb 1.94 0.61 -0.14 0.00 0.37 0.00 0.00 40.66 43.44 2yrn h LEU 119 CO 0.08 -0.43 0.30 0.28 -0.34 0.00 0.00 178.44 178.33 2yrn h SER 120 N -0.47 0.11 -0.47 1.25 0.02 -1.74 0.43 113.55 112.68 2yrn h SER 120 Ca 0.08 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.32 2yrn h SER 120 Cb 0.63 0.23 -0.10 0.00 0.14 0.00 0.00 62.40 63.31 2yrn h SER 120 CO -0.46 -0.14 -0.25 0.03 -1.14 0.00 0.00 176.83 174.87 2yrn h ARG 121 N 0.25 -0.14 -0.87 3.45 3.08 -1.25 0.20 114.38 119.10 2yrn h ARG 121 Ca 0.58 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.79 2yrn h ARG 121 Cb 1.19 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 31.12 2yrn h ARG 121 CO -0.64 -0.09 -0.33 -0.92 -1.07 0.00 0.00 179.97 176.92 2yrn h TYR 122 N -0.14 -0.88 0.18 3.04 5.03 -0.79 -0.99 116.97 122.42 2yrn h TYR 122 Ca 0.22 0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.61 2yrn h TYR 122 Cb 0.49 0.51 0.00 0.00 1.55 0.00 0.00 36.73 39.28 2yrn h TYR 122 CO -0.51 -0.39 -0.08 -0.22 -1.32 0.00 0.00 178.16 175.63 2yrn h LYS 123 N -0.04 -0.23 -0.80 1.82 1.63 -1.29 -2.43 116.57 115.23 2yrn h LYS 123 Ca 0.34 0.02 0.16 0.00 -0.85 0.00 0.00 60.65 60.32 2yrn h LYS 123 Cb 0.60 0.05 -0.15 0.00 -0.60 0.00 0.00 32.23 32.13 2yrn h LYS 123 CO -0.90 0.18 -0.20 1.04 -3.45 0.00 0.00 179.45 176.12 2yrn n GLN 124 N -4.98 -0.07 -0.06 1.90 1.13 0.61 0.13 117.38 116.04 2yrn n GLN 124 Ca -0.08 1.24 -0.15 0.00 -1.94 0.00 0.00 57.00 56.06 2yrn n GLN 124 Cb 0.26 -1.86 -0.06 0.00 0.11 0.00 0.00 30.24 28.70 2yrn n GLN 124 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2yrn h GLN 125 N 0.00 0.76 -5.55 -1.09 -0.00 -1.27 -3.38 115.11 104.59 2yrn h GLN 125 Ca 0.38 -0.52 -0.40 0.00 -0.00 0.00 0.00 58.65 58.12 2yrn h GLN 125 Cb 0.58 0.08 -0.05 0.00 0.00 0.00 0.00 27.48 28.09 2yrn h GLN 125 CO -0.82 1.14 1.27 -0.65 0.00 0.00 0.00 178.83 179.78 2yrn s GLN 126 N -4.00 2.77 -0.19 1.69 -1.52 0.36 -4.91 119.66 113.86 2yrn s GLN 126 Ca -0.11 -1.31 -0.05 0.00 -1.95 0.00 0.00 55.36 51.94 2yrn s GLN 126 Cb 0.09 -5.30 -0.03 0.00 -0.22 0.00 0.00 33.01 27.55 2yrn s GLN 126 CO 0.87 -3.66 -0.01 -0.65 -0.25 0.00 0.00 175.29 171.60 2yrn s GLN 127 N 6.06 3.66 0.71 2.91 -0.21 -1.26 -4.85 119.66 126.68 2yrn s GLN 127 Ca 0.66 -0.51 -0.16 0.00 0.02 0.00 0.00 55.36 55.37 2yrn s GLN 127 Cb 0.00 -3.04 -0.02 0.00 1.00 0.00 0.00 33.01 30.95 2yrn s GLN 127 CO 0.12 0.09 0.79 1.04 -2.12 0.00 0.00 175.29 175.21 2yrn n GLN 128 N 4.01 0.44 0.00 2.91 3.00 -1.26 -5.21 117.38 121.27 2yrn n GLN 128 Ca -0.17 0.20 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 2yrn n GLN 128 Cb 0.52 -2.06 0.46 0.00 0.00 0.00 0.00 30.24 29.17 2yrn n GLN 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71