#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 5.29 -0.77 1.61 0.15 -1.26 -5.01 113.70 113.70 2yrn s SER 2 Ca 0.00 0.13 -0.28 0.00 0.70 0.00 0.00 55.95 56.50 2yrn s SER 2 Cb 0.00 -1.57 -0.16 0.00 -1.71 0.00 0.00 66.02 62.59 2yrn s SER 2 CO 0.00 0.35 2.56 -0.24 1.20 0.00 0.00 173.24 177.11 2yrn n SER 3 N 2.35 1.16 0.00 5.45 2.88 -1.26 -4.50 113.62 119.71 2yrn n SER 3 Ca -0.18 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 2yrn n SER 3 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 2yrn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 4 N 6.27 0.31 3.27 0.46 0.00 -1.26 -4.94 105.19 109.31 2yrn n GLY 4 Ca 0.53 -2.30 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 2yrn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrn s SER 5 N -4.00 6.18 0.02 1.61 0.01 -1.26 -5.04 113.70 111.22 2yrn s SER 5 Ca 0.00 -2.26 0.04 0.00 1.31 0.00 0.00 55.95 55.03 2yrn s SER 5 Cb 0.00 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 2yrn s SER 5 CO 0.00 -0.66 -0.11 -0.55 0.41 0.00 0.00 173.24 172.32 2yrn s SER 6 N 2.55 1.34 0.00 2.44 0.15 -1.26 -5.15 113.70 113.77 2yrn s SER 6 Ca 0.11 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2yrn s SER 6 Cb -0.21 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2yrn s SER 6 CO -0.03 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2yrn n GLY 7 N 2.24 4.65 3.45 9.45 0.00 -1.26 -4.91 105.19 118.81 2yrn n GLY 7 Ca -0.17 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 2yrn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yrn s LYS 8 N 3.20 1.37 0.00 1.61 -0.14 -1.26 -5.12 119.74 119.41 2yrn s LYS 8 Ca 0.00 -1.27 0.00 0.00 -1.36 0.00 0.00 55.97 53.34 2yrn s LYS 8 Cb 0.00 0.41 0.00 0.00 -1.68 0.00 0.00 37.83 36.56 2yrn s LYS 8 CO 0.00 -0.54 0.00 0.54 -0.76 0.00 0.00 175.35 174.59 2yrn n ARG 9 N -0.31 0.00 -1.32 1.68 3.00 -1.26 -5.01 116.66 113.44 2yrn n ARG 9 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.44 2yrn n ARG 9 Cb 0.63 -0.25 0.06 0.00 0.00 0.00 0.00 32.46 32.89 2yrn n ARG 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2yrn n LYS 10 N -2.00 0.37 -2.23 5.56 0.00 -1.26 -4.89 118.16 113.70 2yrn n LYS 10 Ca 0.00 0.16 -0.41 0.00 -0.00 0.00 0.00 58.31 58.06 2yrn n LYS 10 Cb 0.00 -1.79 -0.03 0.00 -0.00 0.00 0.00 35.03 33.21 2yrn n LYS 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2yrn s PRO 11 N -2.56 4.39 -0.07 -1.58 0.04 -1.26 -5.03 135.00 128.93 2yrn s PRO 11 Ca 0.66 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.76 2yrn s PRO 11 Cb -0.37 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 2yrn s PRO 11 CO 0.57 -0.24 -0.10 0.54 0.04 0.00 0.00 177.00 177.81 2yrn s VAL 12 N 0.09 3.44 -0.05 -0.36 0.11 -1.26 -5.11 120.40 117.26 2yrn s VAL 12 Ca 0.56 -0.58 -0.16 0.00 -2.93 0.00 0.00 61.98 58.87 2yrn s VAL 12 Cb -0.36 -2.39 -0.05 0.00 -1.53 0.00 0.00 36.38 32.05 2yrn s VAL 12 CO 0.38 0.59 0.44 -0.63 -3.33 0.00 0.00 175.10 172.55 2yrn s ILE 13 N -0.71 5.09 -0.85 7.04 -1.09 -1.26 -5.04 121.20 124.39 2yrn s ILE 13 Ca 0.11 0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 59.31 2yrn s ILE 13 Cb -0.11 -3.76 0.22 0.00 -1.58 0.00 0.00 42.46 37.23 2yrn s ILE 13 CO 0.01 0.46 0.77 -1.00 -1.23 0.00 0.00 174.94 173.95 2yrn s HIS 14 N -0.27 3.80 0.98 3.97 3.76 -1.26 -5.04 115.29 121.22 2yrn s HIS 14 Ca 0.24 -2.28 -0.18 0.00 -0.15 0.00 0.00 55.06 52.69 2yrn s HIS 14 Cb -0.16 -3.69 0.03 0.00 1.11 0.00 0.00 32.58 29.87 2yrn s HIS 14 CO 0.12 -0.95 -0.36 0.41 -0.85 0.00 0.00 174.74 173.11 2yrn n GLY 15 N 3.59 -2.46 0.40 -2.22 0.00 -1.26 -3.67 105.19 99.57 2yrn n GLY 15 Ca 0.15 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2yrn n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yrn h LEU 16 N -1.94 -1.80 -1.34 0.99 3.38 -2.00 0.36 115.31 112.98 2yrn h LEU 16 Ca -0.35 0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2yrn h LEU 16 Cb 1.04 0.76 -0.06 0.00 0.09 0.00 0.00 40.66 42.49 2yrn h LEU 16 CO 0.22 -0.31 0.53 1.05 0.09 0.00 0.00 178.44 180.02 2yrn h GLU 17 N -0.24 0.69 -0.64 1.13 9.09 -2.00 -1.13 114.58 121.49 2yrn h GLU 17 Ca 0.09 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.41 2yrn h GLU 17 Cb 0.49 -0.16 -0.03 0.00 -1.65 0.00 0.00 28.75 27.40 2yrn h GLU 17 CO -0.65 0.46 0.18 -0.44 0.05 0.00 0.00 179.01 178.62 2yrn h ASP 18 N 0.72 0.94 -0.21 3.06 5.19 -0.72 -3.07 116.42 122.33 2yrn h ASP 18 Ca 0.39 -0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.63 2yrn h ASP 18 Cb 0.52 -0.25 -0.06 0.00 0.18 0.00 0.00 39.33 39.73 2yrn h ASP 18 CO -0.15 0.91 -0.16 1.56 -3.12 0.00 0.00 179.24 178.28 2yrn h GLN 19 N 0.92 -0.15 -0.81 3.56 4.20 0.83 -2.01 115.11 121.65 2yrn h GLN 19 Ca 0.20 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.15 2yrn h GLN 19 Cb 0.31 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 27.98 2yrn h GLN 19 CO -0.00 -0.10 0.04 1.17 -0.67 0.00 0.00 178.83 179.26 2yrn n LYS 20 N -5.31 -0.06 0.43 1.46 4.81 -1.14 0.22 118.16 118.56 2yrn n LYS 20 Ca -0.01 1.21 -0.19 0.00 -0.87 0.00 0.00 58.31 58.45 2yrn n LYS 20 Cb 0.23 -1.94 -0.09 0.00 0.02 0.00 0.00 35.03 33.25 2yrn n LYS 20 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2yrn h ARG 21 N 0.00 -1.02 -0.92 1.64 1.12 -1.48 0.25 114.38 113.97 2yrn h ARG 21 Ca 0.50 0.07 0.26 0.00 -1.11 0.00 0.00 59.98 59.70 2yrn h ARG 21 Cb 1.05 0.23 -0.15 0.00 -0.01 0.00 0.00 29.97 31.10 2yrn h ARG 21 CO -0.76 -0.68 0.31 0.82 -3.11 0.00 0.00 179.97 176.55 2yrn h ILE 22 N -1.07 0.28 -0.07 1.20 2.04 -0.20 0.80 117.51 120.49 2yrn h ILE 22 Ca -0.11 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 2yrn h ILE 22 Cb 0.82 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2yrn h ILE 22 CO 0.18 0.04 -0.28 1.88 0.00 0.00 0.00 178.15 179.97 2yrn h TYR 23 N 0.22 0.41 -0.36 1.37 0.05 -1.08 -2.58 116.97 115.00 2yrn h TYR 23 Ca 0.61 -0.18 0.07 0.00 0.05 0.00 0.00 58.73 59.28 2yrn h TYR 23 Cb 1.28 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 38.87 2yrn h TYR 23 CO -0.21 0.90 -0.38 1.15 -1.05 0.00 0.00 178.16 178.56 2yrn h THR 24 N -0.19 0.17 -0.20 -2.88 2.02 0.18 0.11 112.91 112.12 2yrn h THR 24 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2yrn h THR 24 Cb 0.92 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2yrn h THR 24 CO 0.06 0.00 -0.09 -0.78 0.37 0.00 0.00 175.52 175.08 2yrn h ASP 25 N -0.32 0.29 -0.25 4.18 3.58 -1.30 -1.27 116.42 121.33 2yrn h ASP 25 Ca 0.14 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2yrn h ASP 25 Cb 0.57 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2yrn h ASP 25 CO -0.53 0.42 0.14 -0.25 -2.88 0.00 0.00 179.24 176.14 2yrn h TRP 26 N 0.30 0.34 -0.22 0.28 7.01 -0.47 -2.67 115.95 120.52 2yrn h TRP 26 Ca 0.06 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.94 2yrn h TRP 26 Cb 0.35 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2yrn h TRP 26 CO 0.01 0.29 -0.31 0.00 -2.79 0.00 0.00 178.44 175.64 2yrn h ALA 27 N 1.02 0.34 -0.60 2.65 0.00 -0.70 -3.26 119.26 118.72 2yrn h ALA 27 Ca 0.09 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.70 2yrn h ALA 27 Cb 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2yrn h ALA 27 CO -0.01 0.37 -0.25 -0.91 0.00 0.00 0.00 179.25 178.45 2yrn h ASN 28 N 0.30 -0.86 -0.98 0.00 2.35 -1.13 0.98 115.58 116.23 2yrn h ASN 28 Ca 0.03 0.21 0.31 0.00 -0.55 0.00 0.00 56.30 56.30 2yrn h ASN 28 Cb 0.88 0.48 -0.17 0.00 0.05 0.00 0.00 38.32 39.56 2yrn h ASN 28 CO 0.07 -0.26 0.24 -0.74 -1.65 0.00 0.00 177.43 175.09 2yrn h HIS 29 N -0.09 0.33 -0.32 1.19 -0.00 -1.51 0.72 115.15 115.46 2yrn h HIS 29 Ca 0.27 0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.64 2yrn h HIS 29 Cb 0.51 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 2yrn h HIS 29 CO -0.57 -0.40 -0.01 1.88 -0.00 0.00 0.00 177.93 178.82 2yrn h TYR 30 N 0.05 0.63 -0.75 5.26 -1.99 -0.95 0.49 116.97 119.71 2yrn h TYR 30 Ca 0.68 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 61.25 2yrn h TYR 30 Cb 1.55 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 40.09 2yrn h TYR 30 CO -0.29 0.71 0.31 -0.07 -0.00 0.00 0.00 178.16 178.82 2yrn h LEU 31 N 0.38 1.01 0.11 3.88 3.38 0.61 0.68 115.31 125.36 2yrn h LEU 31 Ca 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2yrn h LEU 31 Cb 0.47 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2yrn h LEU 31 CO 0.02 0.89 -0.05 0.00 0.09 0.00 0.00 178.44 179.38 2yrn h ALA 32 N 1.26 -0.15 -0.08 1.53 0.00 -0.38 0.28 119.26 121.71 2yrn h ALA 32 Ca 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2yrn h ALA 32 Cb 0.18 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2yrn h ALA 32 CO -0.02 -0.31 0.04 1.57 0.00 0.00 0.00 179.25 180.53 2yrn h LYS 33 N -0.71 0.11 -0.00 0.00 2.10 -0.84 0.84 116.57 118.06 2yrn h LYS 33 Ca -0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2yrn h LYS 33 Cb 0.53 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2yrn h LYS 33 CO 0.03 0.08 -0.03 0.45 -2.00 0.00 0.00 179.45 177.98 2yrn n SER 34 N -4.52 0.06 -1.35 7.07 2.88 0.23 -4.94 113.62 113.05 2yrn n SER 34 Ca -0.02 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2yrn n SER 34 Cb 0.09 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 1.39 0.58 3.53 0.46 0.00 0.29 -5.05 105.19 106.38 2yrn n GLY 35 Ca 0.11 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 2yrn n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yrn s HIS 36 N -2.90 2.50 0.00 1.61 5.04 0.95 -5.00 115.29 117.49 2yrn s HIS 36 Ca 0.00 -0.28 0.00 0.00 -1.54 0.00 0.00 55.06 53.24 2yrn s HIS 36 Cb 0.00 -1.17 0.00 0.00 0.04 0.00 0.00 32.58 31.45 2yrn s HIS 36 CO 0.00 0.57 0.00 1.63 -2.34 0.00 0.00 174.74 174.60 2yrn n LYS 37 N -0.22 0.00 -1.91 2.88 4.76 -1.26 -4.71 118.16 117.69 2yrn n LYS 37 Ca -0.09 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 2yrn n LYS 37 Cb 0.57 -0.51 -0.03 0.00 -1.84 0.00 0.00 35.03 33.23 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 -0.71 4.20 0.31 1.97 3.52 -1.26 -5.01 118.95 121.96 2yrn s ARG 38 Ca 0.00 2.40 0.05 0.00 -0.13 0.00 0.00 55.73 58.05 2yrn s ARG 38 Cb 0.00 -3.12 0.05 0.00 -1.56 0.00 0.00 34.95 30.32 2yrn s ARG 38 CO 0.00 -0.59 0.42 1.28 -0.81 0.00 0.00 175.30 175.60 2yrn n LEU 39 N 3.41 0.00 -4.38 -0.88 4.77 -1.26 -5.02 117.00 113.64 2yrn n LEU 39 Ca 0.12 -1.34 -0.45 0.00 -0.03 0.00 0.00 56.01 54.31 2yrn n LEU 39 Cb 0.38 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2yrn n LEU 39 CO 0.62 -0.60 0.26 -0.63 -1.33 0.00 0.00 177.39 175.70 2yrn s ILE 40 N -0.94 5.00 -0.05 -0.08 1.01 -1.26 -4.93 121.20 119.94 2yrn s ILE 40 Ca 0.32 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 2yrn s ILE 40 Cb -0.03 -4.33 -0.00 0.00 0.01 0.00 0.00 42.46 38.11 2yrn s ILE 40 CO 0.20 -0.88 0.04 0.03 0.00 0.00 0.00 174.94 174.33 2yrn h ARG 41 N 8.99 -0.02 -4.35 2.79 2.47 -1.97 -3.44 114.38 118.85 2yrn h ARG 41 Ca -0.29 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.75 2yrn h ARG 41 Cb 1.10 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.06 2yrn h ARG 41 CO 1.01 -0.01 -0.57 -0.51 0.56 0.00 0.00 179.97 180.44 2yrn s ASP 42 N -4.43 5.08 0.51 7.04 1.11 -1.26 -4.95 116.67 119.77 2yrn s ASP 42 Ca -0.00 -2.23 0.39 0.00 0.18 0.00 0.00 52.55 50.89 2yrn s ASP 42 Cb 0.00 -1.77 1.57 0.00 1.07 0.00 0.00 42.92 43.79 2yrn s ASP 42 CO 0.01 -0.46 1.67 0.25 1.18 0.00 0.00 175.17 177.81 2yrn h LEU 43 N 7.72 0.09 -0.37 1.23 5.85 -1.89 1.25 115.31 129.18 2yrn h LEU 43 Ca -0.09 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 2yrn h LEU 43 Cb 1.02 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2yrn h LEU 43 CO 0.66 -0.04 -0.40 1.56 -0.34 0.00 0.00 178.44 179.88 2yrn h GLN 44 N 0.05 0.92 0.00 1.25 4.20 -1.92 -3.07 115.11 116.54 2yrn h GLN 44 Ca 0.78 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 2yrn h GLN 44 Cb 2.90 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 30.69 2yrn h GLN 44 CO -0.13 1.15 -0.35 1.96 -0.67 0.00 0.00 178.83 180.79 2yrn h GLN 45 N 0.73 0.00 -0.63 1.46 1.08 0.89 -3.33 115.11 115.30 2yrn h GLN 45 Ca 0.05 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.44 2yrn h GLN 45 Cb 1.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.40 2yrn h GLN 45 CO 0.10 0.35 1.00 -0.44 -0.95 0.00 0.00 178.83 178.89 2yrn h ASP 46 N -1.00 0.00 -0.89 1.46 3.32 -0.07 1.31 116.42 120.55 2yrn h ASP 46 Ca -0.06 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.38 2yrn h ASP 46 Cb 0.55 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.75 2yrn h ASP 46 CO -0.03 0.00 0.15 1.33 -1.72 0.00 0.00 179.24 178.97 2yrn n VAL 47 N -3.10 3.16 -0.07 -1.35 0.24 -1.16 -3.84 118.33 112.20 2yrn n VAL 47 Ca 0.14 -3.46 -0.05 0.00 -2.04 0.00 0.00 64.34 58.93 2yrn n VAL 47 Cb 1.21 -1.13 -0.16 0.00 -1.47 0.00 0.00 33.84 32.28 2yrn n VAL 47 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2yrn n THR 48 N -0.84 1.05 0.18 3.34 -2.24 0.45 -4.21 114.28 112.01 2yrn n THR 48 Ca 0.55 -0.77 0.06 0.00 -2.27 0.00 0.00 64.05 61.62 2yrn n THR 48 Cb 0.80 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.58 2yrn n THR 48 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2yrn n ASP 49 N -2.64 1.59 0.00 3.42 8.00 -1.26 -4.63 116.55 121.03 2yrn n ASP 49 Ca -0.25 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2yrn n ASP 49 Cb 1.00 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 43.52 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 1.62 3.10 0.00 0.44 0.00 -1.26 -4.43 105.19 104.66 2yrn n GLY 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.74 0.00 -0.28 1.61 0.31 -1.26 -0.79 118.33 116.18 2yrn n VAL 51 Ca 0.00 1.47 0.10 0.00 -0.01 0.00 0.00 64.34 65.91 2yrn n VAL 51 Cb 0.00 -2.34 0.35 0.00 -0.91 0.00 0.00 33.84 30.94 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 0.71 -0.44 7.52 6.46 -1.91 -1.26 115.31 126.39 2yrn h LEU 52 Ca 0.00 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 2yrn h LEU 52 Cb 0.00 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 2yrn h LEU 52 CO 0.00 0.37 0.17 0.25 -0.62 0.00 0.00 178.44 178.61 2yrn h LEU 53 N 0.76 0.19 -0.58 2.25 5.85 -1.61 -2.27 115.31 119.90 2yrn h LEU 53 Ca 0.44 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 59.08 2yrn h LEU 53 Cb 0.62 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2yrn h LEU 53 CO -0.20 0.14 -0.20 0.00 -0.34 0.00 0.00 178.44 177.84 2yrn h ALA 54 N 1.28 0.78 -1.82 1.25 0.00 0.14 -2.93 119.26 117.95 2yrn h ALA 54 Ca 0.20 -0.38 0.53 0.00 0.00 0.00 0.00 54.91 55.27 2yrn h ALA 54 Cb 0.18 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2yrn h ALA 54 CO -0.20 0.66 1.31 1.96 0.00 0.00 0.00 179.25 182.98 2yrn h GLN 55 N 0.80 0.00 0.00 0.00 4.20 -0.69 -0.53 115.11 118.89 2yrn h GLN 55 Ca 0.11 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2yrn h GLN 55 Cb 0.75 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2yrn h GLN 55 CO 0.06 0.00 -0.79 -0.89 -0.67 0.00 0.00 178.83 176.54 2yrn n ILE 56 N -4.01 1.45 -0.35 2.54 -0.00 -1.12 -3.85 119.36 114.02 2yrn n ILE 56 Ca 0.41 0.14 0.04 0.00 -0.00 0.00 0.00 62.75 63.34 2yrn n ILE 56 Cb 1.87 -2.31 0.11 0.00 -0.00 0.00 0.00 39.64 39.31 2yrn n ILE 56 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2yrn n ILE 57 N -4.55 -0.43 0.00 1.39 5.41 -0.47 0.21 119.36 120.92 2yrn n ILE 57 Ca -0.14 2.22 0.03 0.00 1.00 0.00 0.00 62.75 65.86 2yrn n ILE 57 Cb 0.39 -3.03 0.41 0.00 -0.71 0.00 0.00 39.64 36.71 2yrn n ILE 57 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2yrn h GLN 58 N 0.00 0.53 0.24 0.38 4.20 -1.31 0.15 115.11 119.30 2yrn h GLN 58 Ca 0.42 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 2yrn h GLN 58 Cb 0.67 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2yrn h GLN 58 CO -0.98 0.38 -0.11 0.28 -0.67 0.00 0.00 178.83 177.73 2yrn h VAL 59 N 0.54 0.24 -0.07 -0.54 2.07 0.23 0.96 116.25 119.68 2yrn h VAL 59 Ca 0.14 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2yrn h VAL 59 Cb -0.01 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2yrn h VAL 59 CO -0.03 0.07 0.07 1.62 0.02 0.00 0.00 177.57 179.32 2yrn h VAL 60 N -1.04 0.56 0.00 2.57 3.04 -0.25 -0.86 116.25 120.26 2yrn h VAL 60 Ca -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2yrn h VAL 60 Cb 0.35 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2yrn h VAL 60 CO 0.05 0.00 -1.72 0.00 -1.01 0.00 0.00 177.57 174.89 2yrn n ALA 61 N -2.35 3.03 -2.36 3.17 0.00 0.53 -4.96 120.51 117.57 2yrn n ALA 61 Ca -0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 2yrn n ALA 61 Cb 0.17 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.81 2yrn n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2yrn n ASN 62 N -2.20 -4.56 -4.22 0.00 4.13 0.30 -5.01 115.26 103.71 2yrn n ASN 62 Ca -0.02 -0.04 -0.13 0.00 1.68 0.00 0.00 54.58 56.07 2yrn n ASN 62 Cb 0.53 -3.67 -0.10 0.00 -1.54 0.00 0.00 39.78 35.01 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2yrn s GLU 63 N -4.84 0.96 -0.10 3.52 2.56 0.38 -4.99 118.70 116.20 2yrn s GLU 63 Ca 0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 54.97 53.59 2yrn s GLU 63 Cb -0.01 -0.46 -0.03 0.00 2.00 0.00 0.00 34.13 35.62 2yrn s GLU 63 CO 0.04 0.04 -0.02 0.21 -0.56 0.00 0.00 175.26 174.97 2yrn s LYS 64 N -3.73 3.11 -0.51 4.30 2.20 -1.26 -4.13 119.74 119.71 2yrn s LYS 64 Ca 0.14 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.13 2yrn s LYS 64 Cb 0.03 -2.79 0.10 0.00 -1.51 0.00 0.00 37.83 33.67 2yrn s LYS 64 CO -0.01 0.58 0.47 0.42 -0.36 0.00 0.00 175.35 176.44 2yrn s ILE 65 N -0.56 5.20 -1.03 5.43 1.01 -1.26 -4.90 121.20 125.09 2yrn s ILE 65 Ca 0.09 -1.28 0.17 0.00 0.00 0.00 0.00 60.65 59.63 2yrn s ILE 65 Cb -0.12 -4.26 0.16 0.00 0.01 0.00 0.00 42.46 38.25 2yrn s ILE 65 CO 0.02 -0.76 1.55 -0.62 0.00 0.00 0.00 174.94 175.13 2yrn n GLU 66 N 5.29 0.02 -0.99 2.79 1.02 -1.26 -2.93 120.64 124.58 2yrn n GLU 66 Ca -0.13 0.20 -0.21 0.00 -0.02 0.00 0.00 57.16 57.00 2yrn n GLU 66 Cb 0.42 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.43 2yrn n GLU 66 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2yrn n ASP 67 N -1.48 5.28 -4.26 1.62 2.03 -1.26 -4.87 116.55 113.61 2yrn n ASP 67 Ca 0.04 -3.27 -0.34 0.00 0.52 0.00 0.00 54.79 51.74 2yrn n ASP 67 Cb 0.20 -0.88 -0.15 0.00 -0.72 0.00 0.00 41.12 39.57 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2yrn s ILE 68 N -2.91 2.90 0.13 5.18 -1.09 -1.15 -4.58 121.20 119.68 2yrn s ILE 68 Ca 0.44 -0.66 -0.24 0.00 -2.23 0.00 0.00 60.65 57.95 2yrn s ILE 68 Cb 0.35 -2.28 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 2yrn s ILE 68 CO 0.04 0.47 1.65 -1.13 -1.23 0.00 0.00 174.94 174.74 2yrn h ASN 69 N 7.85 -0.60 0.00 3.58 -1.24 -1.92 -3.47 115.58 119.78 2yrn h ASN 69 Ca -0.40 0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.70 2yrn h ASN 69 Cb 1.16 0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.47 2yrn h ASN 69 CO 0.61 -0.26 0.00 0.61 -1.29 0.00 0.00 177.43 177.10 2yrn n GLY 70 N -1.33 2.88 2.56 1.57 0.00 -1.26 -4.85 105.19 104.76 2yrn n GLY 70 Ca -0.04 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.35 4.24 -0.11 0.00 0.04 -1.26 -4.89 135.00 132.67 2yrn s PRO 72 Ca 0.29 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.37 2yrn s PRO 72 Cb -0.01 -3.73 -0.08 0.00 0.04 0.00 0.00 34.50 30.71 2yrn s PRO 72 CO -0.17 -0.69 -0.07 1.63 0.04 0.00 0.00 177.00 177.73 2yrn n LYS 73 N 6.12 0.77 -1.88 4.56 4.76 -1.26 -4.94 118.16 126.28 2yrn n LYS 73 Ca 0.15 0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.34 2yrn n LYS 73 Cb 0.43 -1.24 0.06 0.00 -1.84 0.00 0.00 35.03 32.45 2yrn n LYS 73 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2yrn s ASN 74 N -4.92 5.08 0.20 4.39 0.01 -1.26 -4.99 114.94 113.45 2yrn s ASN 74 Ca -0.13 1.00 0.01 0.00 -0.71 0.00 0.00 52.86 53.03 2yrn s ASN 74 Cb 0.04 -1.69 0.14 0.00 0.41 0.00 0.00 41.25 40.15 2yrn s ASN 74 CO 0.29 -1.56 1.49 -0.09 -1.51 0.00 0.00 177.10 175.72 2yrn h ARG 75 N -0.81 0.34 0.00 -0.60 1.12 -2.03 -3.21 114.38 109.19 2yrn h ARG 75 Ca -0.45 -0.26 -0.24 0.00 -1.11 0.00 0.00 59.98 57.92 2yrn h ARG 75 Cb 1.28 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 31.25 2yrn h ARG 75 CO 0.65 0.88 -1.38 0.77 -3.11 0.00 0.00 179.97 177.78 2yrn h SER 76 N 0.24 0.00 -1.01 -3.80 0.02 -2.02 -3.35 113.55 103.63 2yrn h SER 76 Ca -0.02 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 61.19 2yrn h SER 76 Cb 1.21 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.62 2yrn h SER 76 CO 0.11 0.90 0.61 1.56 -1.14 0.00 0.00 176.83 178.87 2yrn h GLN 77 N 0.00 0.51 -0.64 3.45 1.08 -1.94 0.21 115.11 117.78 2yrn h GLN 77 Ca -0.17 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2yrn h GLN 77 Cb 1.84 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 29.12 2yrn h GLN 77 CO 0.09 0.34 0.37 0.52 -0.95 0.00 0.00 178.83 179.20 2yrn h MET 78 N 0.53 0.88 -0.53 1.46 2.86 -1.69 -3.06 114.93 115.38 2yrn h MET 78 Ca 0.65 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 58.27 2yrn h MET 78 Cb 1.32 -0.18 -0.10 0.00 0.06 0.00 0.00 31.60 32.71 2yrn h MET 78 CO -0.46 0.65 -0.49 0.82 1.06 0.00 0.00 176.91 178.49 2yrn h ILE 79 N 0.88 0.05 -0.55 -1.22 1.08 -0.78 -1.90 117.51 115.07 2yrn h ILE 79 Ca 0.23 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.76 2yrn h ILE 79 Cb 0.01 0.05 -0.09 0.00 -3.07 0.00 0.00 36.82 33.72 2yrn h ILE 79 CO -0.04 0.00 -0.54 -0.33 -0.69 0.00 0.00 178.15 176.55 2yrn h GLU 80 N -0.29 -0.26 0.00 2.37 5.08 -1.52 -0.47 114.58 119.49 2yrn h GLU 80 Ca 0.14 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2yrn h GLU 80 Cb 0.57 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2yrn h GLU 80 CO -0.66 -0.18 0.00 0.09 -1.00 0.00 0.00 179.01 177.26 2yrn n ASN 81 N -5.22 0.00 -0.33 1.42 4.13 -0.73 0.79 115.26 115.31 2yrn n ASN 81 Ca -0.02 0.72 0.20 0.00 1.68 0.00 0.00 54.58 57.16 2yrn n ASN 81 Cb 0.30 -0.31 0.44 0.00 -1.54 0.00 0.00 39.78 38.68 2yrn n ASN 81 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2yrn h ILE 82 N 0.00 0.54 -0.11 2.41 2.04 -1.33 -0.03 117.51 121.02 2yrn h ILE 82 Ca 0.00 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2yrn h ILE 82 Cb 0.00 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 2yrn h ILE 82 CO 0.00 0.09 -0.03 -0.78 0.00 0.00 0.00 178.15 177.43 2yrn h ASP 83 N 0.50 -0.10 -0.99 1.72 3.58 0.21 -2.05 116.42 119.29 2yrn h ASP 83 Ca 0.62 0.03 0.17 0.00 0.42 0.00 0.00 57.03 58.26 2yrn h ASP 83 Cb 1.35 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 42.37 2yrn h ASP 83 CO -0.38 -0.04 0.62 0.00 -2.88 0.00 0.00 179.24 176.56 2yrn h ALA 84 N 1.11 1.69 -0.50 -0.78 0.00 0.13 0.58 119.26 121.49 2yrn h ALA 84 Ca 0.05 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2yrn h ALA 84 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2yrn h ALA 84 CO -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.10 2yrn h LEU 86 N 0.79 0.74 -0.32 0.00 3.38 -0.34 -1.77 115.31 117.80 2yrn h LEU 86 Ca 0.15 -0.40 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 2yrn h LEU 86 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2yrn h LEU 86 CO 0.03 0.98 -0.84 0.78 0.09 0.00 0.00 178.44 179.48 2yrn h ASN 87 N 0.51 0.35 0.29 -0.43 2.35 -1.02 -2.35 115.58 115.27 2yrn h ASN 87 Ca 0.08 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.48 2yrn h ASN 87 Cb 0.69 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2yrn h ASN 87 CO 0.05 1.04 -0.37 0.15 -1.65 0.00 0.00 177.43 176.65 2yrn h PHE 88 N 0.17 0.14 0.09 1.19 3.04 -0.20 -2.74 116.94 118.63 2yrn h PHE 88 Ca -0.05 -0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.73 2yrn h PHE 88 Cb 1.45 -0.03 0.02 0.00 2.56 0.00 0.00 35.95 39.94 2yrn h PHE 88 CO 0.04 0.48 -0.63 -0.07 -2.02 0.00 0.00 178.31 176.11 2yrn h LEU 89 N 0.11 0.40 -0.81 0.59 3.38 -1.28 -3.32 115.31 114.37 2yrn h LEU 89 Ca 0.01 -0.92 0.12 0.00 0.09 0.00 0.00 57.88 57.18 2yrn h LEU 89 Cb 0.71 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 2yrn h LEU 89 CO 0.05 1.28 0.42 0.00 0.09 0.00 0.00 178.44 180.29 2yrn h ALA 90 N 0.12 1.18 0.00 1.53 0.00 -1.38 0.28 119.26 120.99 2yrn h ALA 90 Ca -0.11 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2yrn h ALA 90 Cb 1.46 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2yrn h ALA 90 CO 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 179.25 179.32 2yrn h ALA 91 N 1.51 1.08 0.00 0.00 0.00 -1.59 0.84 119.26 121.10 2yrn h ALA 91 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2yrn h ALA 91 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2yrn h ALA 91 CO -0.32 0.00 -0.54 0.87 0.00 0.00 0.00 179.25 179.26 2yrn h LYS 92 N 0.00 0.00 0.00 0.00 1.79 -0.54 -3.47 116.57 114.35 2yrn h LYS 92 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2yrn h LYS 92 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2yrn h LYS 92 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2yrn n GLY 93 N 1.27 1.66 3.25 3.86 0.00 0.28 -5.12 105.19 110.39 2yrn n GLY 93 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 2.57 -0.19 -0.61 1.01 -1.15 -4.99 121.20 115.85 2yrn s ILE 94 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 2yrn s ILE 94 Cb 0.00 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2yrn s ILE 94 CO 0.00 0.52 1.71 0.21 0.00 0.00 0.00 174.94 177.38 2yrn s ASN 95 N 0.86 6.29 -0.03 3.58 2.47 -1.26 -3.74 114.94 123.11 2yrn s ASN 95 Ca -0.05 1.76 0.13 0.00 0.42 0.00 0.00 52.86 55.12 2yrn s ASN 95 Cb -0.15 -2.53 -0.20 0.00 -1.45 0.00 0.00 41.25 36.92 2yrn s ASN 95 CO -0.01 -1.31 0.26 2.30 -3.72 0.00 0.00 177.10 174.62 2yrn n ILE 96 N 6.44 0.12 -1.56 -5.21 -5.35 -1.26 -4.95 119.36 107.59 2yrn n ILE 96 Ca 0.20 -0.33 -0.60 0.00 -0.27 0.00 0.00 62.75 61.75 2yrn n ILE 96 Cb 0.45 0.08 -0.08 0.00 -1.74 0.00 0.00 39.64 38.34 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 -2.03 0.10 0.00 6.28 1.13 -1.26 -1.34 117.38 120.26 2yrn n GLN 97 Ca -0.05 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2yrn n GLN 97 Cb 0.42 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.22 2yrn n GLN 97 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2yrn n GLY 98 N 2.11 2.64 3.76 1.08 0.00 -1.26 -5.08 105.19 108.45 2yrn n GLY 98 Ca 0.22 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 3.39 -0.21 0.99 1.43 -0.45 -5.04 118.68 118.78 2yrn s LEU 99 Ca 0.00 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.16 2yrn s LEU 99 Cb 0.00 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.73 2yrn s LEU 99 CO 0.00 -1.76 0.05 -0.44 0.23 0.00 0.00 176.35 174.43 2yrn s SER 100 N -2.41 3.08 0.38 2.29 0.01 -1.26 -5.01 113.70 110.78 2yrn s SER 100 Ca 0.69 -0.95 0.20 0.00 1.31 0.00 0.00 55.95 57.20 2yrn s SER 100 Cb -0.23 -0.61 1.23 0.00 0.21 0.00 0.00 66.02 66.63 2yrn s SER 100 CO 0.41 -0.33 1.65 0.00 0.41 0.00 0.00 173.24 175.38 2yrn h ALA 101 N 8.24 2.24 0.32 1.44 0.00 -1.93 0.18 119.26 129.75 2yrn h ALA 101 Ca -0.16 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2yrn h ALA 101 Cb 1.10 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2yrn h ALA 101 CO 0.36 -0.87 -0.16 1.49 0.00 0.00 0.00 179.25 180.07 2yrn h GLU 102 N 0.21 -0.42 -0.69 0.00 4.81 -1.94 -1.81 114.58 114.72 2yrn h GLU 102 Ca 0.77 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 60.14 2yrn h GLU 102 Cb 2.02 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 31.41 2yrn h GLU 102 CO -0.56 -0.25 0.28 0.93 -0.73 0.00 0.00 179.01 178.69 2yrn h GLU 103 N -0.49 0.44 -0.39 1.92 4.39 -1.09 -1.37 114.58 118.00 2yrn h GLU 103 Ca -0.04 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.64 2yrn h GLU 103 Cb 0.37 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2yrn h GLU 103 CO 0.07 0.29 0.23 0.82 -1.16 0.00 0.00 179.01 179.26 2yrn h ILE 104 N 0.46 1.04 -0.65 3.13 2.04 -1.20 -1.93 117.51 120.41 2yrn h ILE 104 Ca 0.36 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 66.11 2yrn h ILE 104 Cb 0.49 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2yrn h ILE 104 CO -0.35 0.08 0.43 -0.09 0.00 0.00 0.00 178.15 178.23 2yrn h ARG 105 N 0.47 0.69 0.00 2.37 2.43 -0.40 0.08 114.38 120.01 2yrn h ARG 105 Ca 0.15 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2yrn h ARG 105 Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2yrn h ARG 105 CO -0.07 0.45 -0.18 -0.91 -1.51 0.00 0.00 179.97 177.76 2yrn h ASN 106 N 0.71 0.00 -0.22 -3.80 2.35 -0.63 -3.43 115.58 110.57 2yrn h ASN 106 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2yrn h ASN 106 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2yrn h ASN 106 CO -0.08 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 176.49 2yrn n GLY 107 N 0.29 1.15 3.55 2.83 0.00 0.01 -5.01 105.19 108.02 2yrn n GLY 107 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.33 6.26 0.19 1.61 3.04 -0.89 -4.87 114.94 117.95 2yrn s ASN 108 Ca 0.00 -0.31 -0.18 0.00 0.04 0.00 0.00 52.86 52.41 2yrn s ASN 108 Cb 0.00 -2.54 0.16 0.00 -1.54 0.00 0.00 41.25 37.33 2yrn s ASN 108 CO 0.00 -1.67 1.38 -0.11 -3.04 0.00 0.00 177.10 173.67 2yrn n LEU 109 N 8.87 -0.65 -0.33 3.21 7.94 -1.26 0.16 117.00 134.93 2yrn n LEU 109 Ca 0.04 1.57 0.21 0.00 -1.11 0.00 0.00 56.01 56.72 2yrn n LEU 109 Cb 0.49 -0.33 0.43 0.00 0.53 0.00 0.00 43.42 44.54 2yrn n LEU 109 CO 0.70 -1.38 1.09 0.11 -1.11 0.00 0.00 177.39 176.81 2yrn h LYS 110 N 0.00 0.33 0.31 1.96 1.79 -1.97 0.17 116.57 119.16 2yrn h LYS 110 Ca 0.28 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.71 2yrn h LYS 110 Cb 0.50 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2yrn h LYS 110 CO -0.88 0.22 -0.15 0.00 -1.08 0.00 0.00 179.45 177.57 2yrn h ALA 111 N 1.82 -0.59 -0.27 3.86 0.00 0.12 -2.80 119.26 121.40 2yrn h ALA 111 Ca 0.69 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.55 2yrn h ALA 111 Cb 1.52 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 2yrn h ALA 111 CO -0.60 -0.56 -0.48 0.82 0.00 0.00 0.00 179.25 178.44 2yrn h ILE 112 N -0.74 0.00 -0.87 0.00 5.03 -0.64 -0.37 117.51 119.91 2yrn h ILE 112 Ca -0.04 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 64.93 2yrn h ILE 112 Cb 0.32 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.96 2yrn h ILE 112 CO 0.07 0.00 0.17 -0.07 -0.68 0.00 0.00 178.15 177.64 2yrn h LEU 113 N -0.40 -0.13 -1.71 1.44 3.38 -0.84 0.73 115.31 117.79 2yrn h LEU 113 Ca 0.05 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2yrn h LEU 113 Cb 0.54 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2yrn h LEU 113 CO -0.47 -0.19 0.28 1.23 0.09 0.00 0.00 178.44 179.38 2yrn h GLY 114 N 0.16 0.43 0.34 0.83 0.00 -0.80 0.35 103.07 104.38 2yrn h GLY 114 Ca 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 2yrn h GLY 114 CO -0.70 0.12 -0.14 -2.00 0.00 0.00 0.00 176.54 173.82 2yrn h LEU 115 N 0.37 -0.33 -2.42 3.11 6.46 0.11 -3.10 115.31 119.50 2yrn h LEU 115 Ca 0.18 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2yrn h LEU 115 Cb 0.24 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2yrn h LEU 115 CO -0.04 0.15 -0.01 -0.26 -0.62 0.00 0.00 178.44 177.66 2yrn h PHE 116 N -1.05 0.00 -0.10 1.25 0.04 -1.21 0.23 116.94 116.10 2yrn h PHE 116 Ca -0.04 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 2yrn h PHE 116 Cb 0.40 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2yrn h PHE 116 CO 0.02 0.01 -0.51 0.35 -0.60 0.00 0.00 178.31 177.58 2yrn h PHE 117 N 0.00 0.35 0.05 -0.55 3.04 -0.33 -2.94 116.94 116.56 2yrn h PHE 117 Ca -0.00 -0.11 -0.36 0.00 3.98 0.00 0.00 57.97 61.48 2yrn h PHE 117 Cb 0.19 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.59 2yrn h PHE 117 CO 0.00 0.74 -2.03 0.43 -2.02 0.00 0.00 178.31 175.43 2yrn n SER 118 N -3.95 2.01 -0.03 0.41 7.64 -0.69 -4.31 113.62 114.70 2yrn n SER 118 Ca -0.02 0.19 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 2yrn n SER 118 Cb 0.55 -0.78 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2yrn h LEU 119 N -0.33 -1.45 -0.93 -3.43 5.85 -1.08 -0.93 115.31 113.01 2yrn h LEU 119 Ca -0.48 0.19 0.26 0.00 0.84 0.00 0.00 57.88 58.69 2yrn h LEU 119 Cb 1.79 0.59 -0.17 0.00 0.37 0.00 0.00 40.66 43.24 2yrn h LEU 119 CO -0.09 -0.43 0.11 -1.28 -0.34 0.00 0.00 178.44 176.41 2yrn h SER 120 N -0.48 -0.29 -0.59 1.25 0.87 -1.74 0.26 113.55 112.83 2yrn h SER 120 Ca 0.08 0.25 0.12 0.00 -1.23 0.00 0.00 61.79 61.00 2yrn h SER 120 Cb 0.63 0.40 -0.11 0.00 -0.44 0.00 0.00 62.40 62.88 2yrn h SER 120 CO -0.45 -0.29 -0.19 0.03 -0.53 0.00 0.00 176.83 175.40 2yrn h ARG 121 N 0.07 -0.05 -0.57 2.24 3.08 -1.35 0.76 114.38 118.55 2yrn h ARG 121 Ca 0.58 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.75 2yrn h ARG 121 Cb 1.21 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.16 2yrn h ARG 121 CO -0.81 -0.03 -0.21 -0.92 -1.07 0.00 0.00 179.97 176.92 2yrn h TYR 122 N -0.05 -0.51 -0.11 3.04 5.03 -0.43 -1.45 116.97 122.50 2yrn h TYR 122 Ca 0.28 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.64 2yrn h TYR 122 Cb 0.48 0.31 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 2yrn h TYR 122 CO -0.53 -0.30 0.03 -0.22 -1.32 0.00 0.00 178.16 175.82 2yrn h LYS 123 N -0.07 0.17 -7.17 1.82 1.63 -1.11 -3.42 116.57 108.42 2yrn h LYS 123 Ca 0.27 -0.04 -0.54 0.00 -0.85 0.00 0.00 60.65 59.49 2yrn h LYS 123 Cb 0.48 -0.02 0.16 0.00 -0.60 0.00 0.00 32.23 32.25 2yrn h LYS 123 CO -0.63 0.32 0.41 -0.65 -3.45 0.00 0.00 179.45 175.45 2yrn s GLN 124 N -5.36 2.15 -1.44 1.90 1.11 0.11 -3.16 119.66 114.96 2yrn s GLN 124 Ca -0.14 1.81 -0.03 0.00 0.01 0.00 0.00 55.36 57.01 2yrn s GLN 124 Cb 0.06 -1.83 0.02 0.00 -1.01 0.00 0.00 33.01 30.25 2yrn s GLN 124 CO 0.69 -1.84 0.52 1.04 0.01 0.00 0.00 175.29 175.71 2yrn n GLN 125 N -2.65 -3.58 -1.07 2.91 6.02 -1.26 -4.81 117.38 112.94 2yrn n GLN 125 Ca 0.14 0.43 -0.14 0.00 -0.01 0.00 0.00 57.00 57.42 2yrn n GLN 125 Cb 0.50 -4.72 -0.15 0.00 1.02 0.00 0.00 30.24 26.89 2yrn n GLN 125 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2yrn n GLN 126 N -4.40 2.05 -0.06 -1.09 7.27 -1.19 -4.15 117.38 115.81 2yrn n GLN 126 Ca -0.24 -1.21 -0.19 0.00 0.07 0.00 0.00 57.00 55.43 2yrn n GLN 126 Cb 0.65 -2.01 -0.13 0.00 2.41 0.00 0.00 30.24 31.16 2yrn n GLN 126 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2yrn n GLN 127 N 2.22 0.70 -4.06 3.69 6.02 -1.26 -4.99 117.38 119.70 2yrn n GLN 127 Ca 0.43 0.20 -0.12 0.00 -0.01 0.00 0.00 57.00 57.50 2yrn n GLN 127 Cb 0.85 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.39 2yrn n GLN 127 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2yrn s GLN 128 N -2.54 0.51 0.00 -1.09 -0.21 -1.26 -5.31 119.66 109.76 2yrn s GLN 128 Ca -0.27 -0.80 0.16 0.00 0.02 0.00 0.00 55.36 54.47 2yrn s GLN 128 Cb 0.08 -0.18 0.93 0.00 1.00 0.00 0.00 33.01 34.84 2yrn s GLN 128 CO 0.70 0.02 1.35 -0.35 -2.12 0.00 0.00 175.29 174.88