#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 2.09 0.29 1.61 1.04 -1.26 -5.02 113.70 112.45 2yrn s SER 2 Ca 0.00 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 2yrn s SER 2 Cb 0.00 -0.74 0.62 0.00 0.10 0.00 0.00 66.02 65.99 2yrn s SER 2 CO 0.00 -0.14 1.57 0.77 0.98 0.00 0.00 173.24 176.41 2yrn h SER 3 N 8.21 -0.67 -5.00 7.02 4.64 -2.15 -3.47 113.55 122.13 2yrn h SER 3 Ca -0.27 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2yrn h SER 3 Cb 1.13 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2yrn h SER 3 CO 0.37 -0.34 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2yrn n GLY 4 N -1.55 2.27 3.58 -0.77 0.00 -1.26 -5.13 105.19 102.34 2yrn n GLY 4 Ca 0.20 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 2yrn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yrn s SER 5 N 0.00 -0.56 0.07 1.61 0.15 -1.26 -5.07 113.70 108.63 2yrn s SER 5 Ca 0.00 0.81 -0.32 0.00 0.70 0.00 0.00 55.95 57.14 2yrn s SER 5 Cb 0.00 0.73 -0.19 0.00 -1.71 0.00 0.00 66.02 64.85 2yrn s SER 5 CO 0.00 -0.38 1.61 -1.28 1.20 0.00 0.00 173.24 174.39 2yrn h SER 6 N 3.52 -0.72 0.00 5.45 0.87 -2.06 -3.49 113.55 117.13 2yrn h SER 6 Ca -0.25 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2yrn h SER 6 Cb 1.16 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2yrn h SER 6 CO 0.25 -0.50 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 2yrn n GLY 7 N -1.40 0.70 3.52 5.77 0.00 -1.26 -5.05 105.19 107.48 2yrn n GLY 7 Ca -0.13 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.51 3.32 -0.15 1.61 -0.14 -1.26 -4.88 119.74 117.73 2yrn s LYS 8 Ca 0.00 -0.27 0.08 0.00 -1.36 0.00 0.00 55.97 54.42 2yrn s LYS 8 Cb 0.00 -4.07 0.49 0.00 -1.68 0.00 0.00 37.83 32.57 2yrn s LYS 8 CO 0.00 -1.55 1.28 2.89 -0.76 0.00 0.00 175.35 177.21 2yrn n ARG 9 N 7.63 3.24 -2.76 1.68 -4.01 -1.26 -4.93 116.66 116.25 2yrn n ARG 9 Ca 0.02 -1.90 -0.38 0.00 -1.04 0.00 0.00 57.85 54.55 2yrn n ARG 9 Cb 0.47 -1.95 -0.06 0.00 -3.04 0.00 0.00 32.46 27.88 2yrn n ARG 9 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2yrn s LYS 10 N -2.06 4.62 -0.12 2.89 1.02 -1.26 -5.00 119.74 119.83 2yrn s LYS 10 Ca 0.33 1.38 -0.29 0.00 0.02 0.00 0.00 55.97 57.41 2yrn s LYS 10 Cb 0.26 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 2yrn s LYS 10 CO 0.09 0.31 1.54 -1.25 -0.92 0.00 0.00 175.35 175.12 2yrn s PRO 11 N -1.89 4.11 0.04 -1.68 0.04 -1.26 -5.00 135.00 129.36 2yrn s PRO 11 Ca 0.49 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 2yrn s PRO 11 Cb -0.20 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2yrn s PRO 11 CO 0.26 -0.91 -0.03 0.54 0.04 0.00 0.00 177.00 176.91 2yrn s VAL 12 N 4.14 0.17 0.42 -0.36 0.11 -1.26 -5.16 120.40 118.47 2yrn s VAL 12 Ca 0.68 -1.41 -0.13 0.00 -2.93 0.00 0.00 61.98 58.19 2yrn s VAL 12 Cb -0.28 -0.98 -0.07 0.00 -1.53 0.00 0.00 36.38 33.52 2yrn s VAL 12 CO 0.25 -0.78 0.82 -0.63 -3.33 0.00 0.00 175.10 171.44 2yrn s ILE 13 N -2.85 4.70 -0.66 7.04 -1.09 -1.26 -5.04 121.20 122.04 2yrn s ILE 13 Ca -0.03 0.82 0.04 0.00 -2.23 0.00 0.00 60.65 59.26 2yrn s ILE 13 Cb 0.00 -3.71 0.16 0.00 -1.58 0.00 0.00 42.46 37.33 2yrn s ILE 13 CO -0.06 -0.51 0.44 -1.00 -1.23 0.00 0.00 174.94 172.57 2yrn s HIS 14 N -2.38 3.47 1.02 3.97 3.76 -1.26 -5.05 115.29 118.83 2yrn s HIS 14 Ca 0.54 -3.26 -0.17 0.00 -0.15 0.00 0.00 55.06 52.01 2yrn s HIS 14 Cb -0.10 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.81 2yrn s HIS 14 CO 0.29 -0.62 -0.15 0.41 -0.85 0.00 0.00 174.74 173.82 2yrn n GLY 15 N 2.36 -2.70 0.32 -2.22 0.00 -1.26 -3.99 105.19 97.70 2yrn n GLY 15 Ca 0.15 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.59 -0.37 -1.44 0.99 3.38 -1.99 1.30 115.31 115.59 2yrn h LEU 16 Ca -0.47 0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2yrn h LEU 16 Cb 1.33 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2yrn h LEU 16 CO 0.32 -0.27 -0.05 -0.33 0.09 0.00 0.00 178.44 178.21 2yrn h GLU 17 N 0.07 0.31 -0.05 1.13 5.08 -2.02 -2.28 114.58 116.83 2yrn h GLU 17 Ca 0.54 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.65 2yrn h GLU 17 Cb 1.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2yrn h GLU 17 CO -0.81 0.38 -0.76 -0.44 -1.00 0.00 0.00 179.01 176.38 2yrn h ASP 18 N 0.30 0.38 -0.02 1.42 3.32 0.13 -3.28 116.42 118.66 2yrn h ASP 18 Ca 0.07 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 2yrn h ASP 18 Cb 0.28 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2yrn h ASP 18 CO 0.01 1.00 0.01 1.56 -1.72 0.00 0.00 179.24 180.10 2yrn h GLN 19 N 0.20 0.03 -0.87 3.56 4.20 -0.25 -2.90 115.11 119.08 2yrn h GLN 19 Ca -0.03 -0.01 0.22 0.00 0.06 0.00 0.00 58.65 58.89 2yrn h GLN 19 Cb 1.34 -0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.95 2yrn h GLN 19 CO 0.12 0.23 -0.05 1.17 -0.67 0.00 0.00 178.83 179.63 2yrn n LYS 20 N -4.97 -0.07 0.29 1.46 4.81 -0.99 -0.58 118.16 118.10 2yrn n LYS 20 Ca -0.07 1.32 -0.13 0.00 -0.87 0.00 0.00 58.31 58.55 2yrn n LYS 20 Cb 0.12 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 33.05 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 -0.75 -0.99 1.64 1.12 -1.67 -1.95 114.38 111.79 2yrn h ARG 21 Ca 0.50 0.05 0.30 0.00 -1.11 0.00 0.00 59.98 59.71 2yrn h ARG 21 Cb 0.96 0.17 -0.18 0.00 -0.01 0.00 0.00 29.97 30.91 2yrn h ARG 21 CO -0.84 -0.45 0.12 0.82 -3.11 0.00 0.00 179.97 176.51 2yrn h ILE 22 N -1.13 0.02 -0.24 1.20 2.04 -0.65 1.17 117.51 119.92 2yrn h ILE 22 Ca -0.08 -0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.63 2yrn h ILE 22 Cb 0.64 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2yrn h ILE 22 CO 0.13 0.00 -0.45 1.88 0.00 0.00 0.00 178.15 179.71 2yrn h TYR 23 N 0.01 0.74 0.23 1.37 0.05 -1.09 -3.02 116.97 115.28 2yrn h TYR 23 Ca 0.64 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 59.18 2yrn h TYR 23 Cb 1.40 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.99 2yrn h TYR 23 CO -0.41 0.95 -0.18 1.15 -1.05 0.00 0.00 178.16 178.63 2yrn h THR 24 N 0.49 0.00 -1.09 -2.88 2.02 0.22 -0.53 112.91 111.14 2yrn h THR 24 Ca 0.03 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.51 2yrn h THR 24 Cb 0.98 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.31 2yrn h THR 24 CO 0.09 0.00 0.74 -0.78 0.37 0.00 0.00 175.52 175.94 2yrn h ASP 25 N -0.39 0.24 0.14 4.18 3.58 -1.44 0.28 116.42 123.00 2yrn h ASP 25 Ca -0.03 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2yrn h ASP 25 Cb 0.33 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2yrn h ASP 25 CO 0.01 0.04 -0.07 -0.25 -2.88 0.00 0.00 179.24 176.09 2yrn h TRP 26 N 0.20 -0.17 0.12 0.28 7.01 -1.30 -2.34 115.95 119.75 2yrn h TRP 26 Ca 0.58 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.57 2yrn h TRP 26 Cb 1.84 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.96 2yrn h TRP 26 CO -0.00 0.11 -0.06 0.00 -2.79 0.00 0.00 178.44 175.70 2yrn h ALA 27 N 0.36 -0.16 -0.99 2.65 0.00 0.63 -3.14 119.26 118.61 2yrn h ALA 27 Ca -0.02 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.97 2yrn h ALA 27 Cb 0.36 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 2yrn h ALA 27 CO 0.03 -0.39 0.55 -0.91 0.00 0.00 0.00 179.25 178.54 2yrn h ASN 28 N -0.57 0.56 -0.96 0.00 4.21 -0.63 0.48 115.58 118.67 2yrn h ASN 28 Ca -0.02 0.16 0.21 0.00 1.21 0.00 0.00 56.30 57.86 2yrn h ASN 28 Cb 0.45 0.09 -0.08 0.00 -1.12 0.00 0.00 38.32 37.66 2yrn h ASN 28 CO 0.03 -0.01 0.62 -0.74 -1.29 0.00 0.00 177.43 176.03 2yrn h HIS 29 N 0.45 0.73 0.00 1.19 -0.00 -1.36 0.72 115.15 116.88 2yrn h HIS 29 Ca 0.67 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 61.06 2yrn h HIS 29 Cb 1.39 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 2yrn h HIS 29 CO -0.03 0.17 0.00 1.88 -0.00 0.00 0.00 177.93 179.95 2yrn h TYR 30 N 0.53 0.00 0.16 5.26 0.05 -0.14 -2.02 116.97 120.80 2yrn h TYR 30 Ca 0.52 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 59.00 2yrn h TYR 30 Cb 1.13 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.88 2yrn h TYR 30 CO -0.00 0.00 -1.45 -0.07 -1.05 0.00 0.00 178.16 175.58 2yrn h LEU 31 N 0.00 0.53 -0.85 3.88 3.38 0.49 -3.07 115.31 119.66 2yrn h LEU 31 Ca 0.00 -0.90 -0.10 0.00 0.09 0.00 0.00 57.88 56.96 2yrn h LEU 31 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2yrn h LEU 31 CO 0.00 1.66 -0.49 0.00 0.09 0.00 0.00 178.44 179.69 2yrn h ALA 32 N 0.05 0.99 -0.13 1.53 0.00 -1.15 0.25 119.26 120.80 2yrn h ALA 32 Ca -0.29 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 2yrn h ALA 32 Cb 1.91 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.63 2yrn h ALA 32 CO 0.14 0.62 -0.82 1.57 0.00 0.00 0.00 179.25 180.75 2yrn h LYS 33 N 0.00 0.77 -0.33 0.00 2.10 -1.49 -3.01 116.57 114.62 2yrn h LYS 33 Ca -0.00 -0.66 0.00 0.00 -2.00 0.00 0.00 60.65 57.99 2yrn h LYS 33 Cb 0.99 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2yrn h LYS 33 CO 0.06 1.26 0.00 0.43 -2.00 0.00 0.00 179.45 179.20 2yrn n SER 34 N -3.92 0.76 -3.19 7.07 7.64 -1.16 -4.88 113.62 115.94 2yrn n SER 34 Ca -0.08 -2.03 -0.15 0.00 1.01 0.00 0.00 58.87 57.62 2yrn n SER 34 Cb 0.77 -0.19 0.08 0.00 -1.01 0.00 0.00 64.21 63.86 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrn n GLY 35 N 0.48 -0.50 3.77 0.23 0.00 -1.14 -4.99 105.19 103.04 2yrn n GLY 35 Ca 0.03 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.34 3.59 -0.41 1.61 5.04 0.86 -4.98 115.29 117.66 2yrn s HIS 36 Ca 0.12 0.87 -0.05 0.00 -1.54 0.00 0.00 55.06 54.46 2yrn s HIS 36 Cb -0.02 -2.40 -0.04 0.00 0.04 0.00 0.00 32.58 30.16 2yrn s HIS 36 CO 0.67 0.37 3.02 1.63 -2.34 0.00 0.00 174.74 178.10 2yrn n LYS 37 N 2.91 2.46 -3.61 2.88 4.76 -1.26 -4.69 118.16 121.61 2yrn n LYS 37 Ca -0.11 -1.99 -0.02 0.00 -2.87 0.00 0.00 58.31 53.32 2yrn n LYS 37 Cb 0.52 -2.15 -0.01 0.00 -1.84 0.00 0.00 35.03 31.54 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 0.32 0.29 1.97 3.52 -1.26 -5.19 118.95 117.89 2yrn s ARG 38 Ca 0.62 -0.14 0.06 0.00 -0.13 0.00 0.00 55.73 56.13 2yrn s ARG 38 Cb 0.34 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.84 2yrn s ARG 38 CO -0.14 -0.14 0.20 1.28 -0.81 0.00 0.00 175.30 175.69 2yrn n LEU 39 N -0.22 0.00 -4.40 -0.88 4.77 -1.26 -4.75 117.00 110.26 2yrn n LEU 39 Ca -0.02 -2.63 -0.40 0.00 -0.03 0.00 0.00 56.01 52.93 2yrn n LEU 39 Cb 0.60 1.25 -0.11 0.00 -2.33 0.00 0.00 43.42 42.82 2yrn n LEU 39 CO 0.10 -0.43 -0.17 -0.63 -1.33 0.00 0.00 177.39 174.93 2yrn s ILE 40 N -3.05 4.62 -0.11 -0.08 1.01 -1.26 -4.97 121.20 117.36 2yrn s ILE 40 Ca 0.29 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 2yrn s ILE 40 Cb 0.01 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2yrn s ILE 40 CO 0.20 -0.16 -0.10 -0.09 0.00 0.00 0.00 174.94 174.79 2yrn h ARG 41 N 8.42 0.00 -4.72 2.79 9.65 -2.00 -3.45 114.38 125.07 2yrn h ARG 41 Ca -0.27 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 57.93 2yrn h ARG 41 Cb 1.12 0.00 -0.34 0.00 -1.39 0.00 0.00 29.97 29.36 2yrn h ARG 41 CO 0.66 0.00 -0.68 -0.51 2.80 0.00 0.00 179.97 182.23 2yrn s ASP 42 N -5.41 4.92 0.29 -3.80 1.01 -1.26 -4.98 116.67 107.43 2yrn s ASP 42 Ca -0.08 -1.47 0.02 0.00 0.71 0.00 0.00 52.55 51.73 2yrn s ASP 42 Cb 0.01 -1.72 0.57 0.00 1.01 0.00 0.00 42.92 42.79 2yrn s ASP 42 CO 0.12 -0.31 1.84 0.25 0.21 0.00 0.00 175.17 177.27 2yrn h LEU 43 N 7.97 0.92 0.00 1.23 5.85 -1.90 2.02 115.31 131.40 2yrn h LEU 43 Ca -0.18 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2yrn h LEU 43 Cb 1.05 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2yrn h LEU 43 CO 0.56 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 179.14 2yrn n GLN 44 N -4.62 0.65 0.00 1.25 6.02 -1.26 -2.85 117.38 116.57 2yrn n GLN 44 Ca 0.19 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2yrn n GLN 44 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2yrn n GLN 44 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2yrn n GLN 45 N -1.10 0.16 0.04 -1.09 6.02 0.16 -3.95 117.38 117.63 2yrn n GLN 45 Ca 0.17 -0.21 0.11 0.00 -0.01 0.00 0.00 57.00 57.06 2yrn n GLN 45 Cb 0.13 -0.67 0.02 0.00 1.02 0.00 0.00 30.24 30.74 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2yrn n ASP 46 N -0.08 0.62 -1.29 1.08 5.75 0.63 -4.12 116.55 119.14 2yrn n ASP 46 Ca 0.00 -0.04 -0.08 0.00 -0.01 0.00 0.00 54.79 54.66 2yrn n ASP 46 Cb 0.10 0.75 0.13 0.00 -1.03 0.00 0.00 41.12 41.07 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2yrn n VAL 47 N -2.16 2.44 -0.04 2.12 0.24 -1.22 -3.80 118.33 115.92 2yrn n VAL 47 Ca 0.01 -3.52 -0.13 0.00 -2.04 0.00 0.00 64.34 58.67 2yrn n VAL 47 Cb 0.47 -0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 32.08 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 -0.96 1.60 0.92 3.34 -2.24 -1.26 -4.21 114.28 111.48 2yrn n THR 48 Ca 0.32 -0.76 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2yrn n THR 48 Cb 0.85 -1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 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 -3.11 0.83 0.00 3.42 8.00 -1.26 -4.62 116.55 119.80 2yrn n ASP 49 Ca -0.26 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2yrn n ASP 49 Cb 1.07 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 43.05 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 1.48 0.69 0.01 0.44 0.00 -1.26 -4.55 105.19 102.00 2yrn n GLY 50 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2yrn n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2yrn h VAL 51 N 0.00 0.00 -0.73 1.61 2.07 -1.92 -3.11 116.25 114.16 2yrn h VAL 51 Ca 0.00 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2yrn h VAL 51 Cb 0.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 2yrn h VAL 51 CO 0.00 0.00 0.48 0.25 0.02 0.00 0.00 177.57 178.32 2yrn h LEU 52 N -0.07 0.57 0.19 2.57 6.46 -1.89 -2.60 115.31 120.53 2yrn h LEU 52 Ca -0.00 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2yrn h LEU 52 Cb 0.02 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 2yrn h LEU 52 CO 0.00 0.34 -0.48 0.25 -0.62 0.00 0.00 178.44 177.94 2yrn h LEU 53 N 0.63 -1.40 -0.54 2.25 5.85 -1.69 -2.41 115.31 118.01 2yrn h LEU 53 Ca 0.34 0.14 0.09 0.00 0.84 0.00 0.00 57.88 59.29 2yrn h LEU 53 Cb 0.47 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 2yrn h LEU 53 CO -0.12 -0.55 0.15 0.00 -0.34 0.00 0.00 178.44 177.59 2yrn h ALA 54 N -0.43 0.65 -1.47 1.25 0.00 -1.40 -0.38 119.26 117.48 2yrn h ALA 54 Ca -0.00 0.09 0.43 0.00 0.00 0.00 0.00 54.91 55.43 2yrn h ALA 54 Cb 0.75 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2yrn h ALA 54 CO -0.23 -0.26 1.24 1.96 0.00 0.00 0.00 179.25 181.96 2yrn h GLN 55 N 0.31 0.00 0.02 0.00 4.20 -1.18 0.31 115.11 118.77 2yrn h GLN 55 Ca 0.27 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.70 2yrn h GLN 55 Cb 0.34 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 2yrn h GLN 55 CO -0.31 0.00 -1.55 -0.89 -0.67 0.00 0.00 178.83 175.41 2yrn n ILE 56 N -3.70 1.57 0.13 2.54 5.41 -0.19 -4.05 119.36 121.07 2yrn n ILE 56 Ca 0.33 -0.17 -0.14 0.00 1.00 0.00 0.00 62.75 63.77 2yrn n ILE 56 Cb 1.69 -1.97 -0.06 0.00 -0.71 0.00 0.00 39.64 38.58 2yrn n ILE 56 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2yrn h ILE 57 N -0.83 0.30 -1.12 1.39 2.04 -0.10 -0.50 117.51 118.68 2yrn h ILE 57 Ca -0.41 0.00 0.32 0.00 1.00 0.00 0.00 64.86 65.77 2yrn h ILE 57 Cb 1.46 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2yrn h ILE 57 CO -0.20 0.00 0.80 1.56 0.00 0.00 0.00 178.15 180.31 2yrn h GLN 58 N -0.58 0.04 0.06 2.37 4.20 -1.02 0.44 115.11 120.62 2yrn h GLN 58 Ca 0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2yrn h GLN 58 Cb 0.60 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2yrn h GLN 58 CO -0.17 0.03 -0.03 0.28 -0.67 0.00 0.00 178.83 178.26 2yrn h VAL 59 N 0.04 0.00 -0.43 -0.54 2.07 -1.30 0.56 116.25 116.66 2yrn h VAL 59 Ca 0.54 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.88 2yrn h VAL 59 Cb 2.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2yrn h VAL 59 CO -0.04 0.00 0.41 1.62 0.02 0.00 0.00 177.57 179.58 2yrn h VAL 60 N -0.39 0.47 0.00 2.57 3.04 -0.71 0.31 116.25 121.54 2yrn h VAL 60 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2yrn h VAL 60 Cb 0.07 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2yrn h VAL 60 CO 0.01 0.00 -1.40 0.00 -1.01 0.00 0.00 177.57 175.18 2yrn n ALA 61 N -2.42 3.37 -2.52 3.17 0.00 0.15 -4.96 120.51 117.30 2yrn n ALA 61 Ca 0.08 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.84 2yrn n ALA 61 Cb 0.60 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.04 -5.79 -4.33 0.00 3.02 0.17 -4.98 115.26 101.31 2yrn n ASN 62 Ca -0.00 -0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.30 2yrn n ASN 62 Cb 0.48 -4.76 -0.10 0.00 -0.61 0.00 0.00 39.78 34.78 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2yrn s GLU 63 N -5.15 1.30 -0.08 3.52 2.56 0.35 -4.99 118.70 116.21 2yrn s GLU 63 Ca 0.07 -1.62 0.02 0.00 0.00 0.00 0.00 54.97 53.43 2yrn s GLU 63 Cb -0.03 -0.77 -0.02 0.00 2.00 0.00 0.00 34.13 35.31 2yrn s GLU 63 CO 0.08 0.01 -0.12 0.21 -0.56 0.00 0.00 175.26 174.88 2yrn s LYS 64 N -3.78 2.87 -0.47 4.30 2.20 -1.26 -4.13 119.74 119.47 2yrn s LYS 64 Ca 0.25 -0.65 -0.13 0.00 -0.36 0.00 0.00 55.97 55.07 2yrn s LYS 64 Cb 0.04 -2.52 0.09 0.00 -1.51 0.00 0.00 37.83 33.93 2yrn s LYS 64 CO 0.07 0.49 0.36 0.42 -0.36 0.00 0.00 175.35 176.33 2yrn s ILE 65 N -0.37 4.77 -0.81 5.43 1.01 -1.26 -4.91 121.20 125.06 2yrn s ILE 65 Ca 0.04 -1.35 0.24 0.00 0.00 0.00 0.00 60.65 59.58 2yrn s ILE 65 Cb -0.12 -3.95 0.23 0.00 0.01 0.00 0.00 42.46 38.63 2yrn s ILE 65 CO 0.02 -0.63 1.74 -0.62 0.00 0.00 0.00 174.94 175.45 2yrn n GLU 66 N 5.08 0.12 -0.86 2.79 -0.58 -1.26 -3.25 120.64 122.68 2yrn n GLU 66 Ca -0.11 0.21 -0.17 0.00 -0.42 0.00 0.00 57.16 56.66 2yrn n GLU 66 Cb 0.42 -1.67 0.08 0.00 -0.57 0.00 0.00 31.44 29.70 2yrn n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2yrn n ASP 67 N -1.88 5.12 -4.32 1.62 8.00 -1.26 -4.87 116.55 118.96 2yrn n ASP 67 Ca 0.05 -3.08 -0.33 0.00 0.71 0.00 0.00 54.79 52.13 2yrn n ASP 67 Cb 0.31 -0.87 -0.15 0.00 -0.02 0.00 0.00 41.12 40.39 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2yrn s ILE 68 N -2.39 2.99 0.00 0.53 -1.09 -1.20 -4.56 121.20 115.47 2yrn s ILE 68 Ca 0.36 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 2yrn s ILE 68 Cb 0.29 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 2yrn s ILE 68 CO 0.03 0.50 0.96 -3.20 -1.23 0.00 0.00 174.94 172.00 2yrn n ASN 69 N 3.96 0.00 0.00 3.58 5.15 -1.26 -4.95 115.26 121.74 2yrn n ASN 69 Ca -0.18 0.96 0.00 0.00 -0.60 0.00 0.00 54.58 54.75 2yrn n ASN 69 Cb 0.52 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 2yrn n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2yrn n GLY 70 N -0.96 3.19 2.55 8.20 0.00 -1.26 -4.93 105.19 111.98 2yrn n GLY 70 Ca 0.00 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.23 4.40 0.00 0.00 0.04 -1.26 -4.93 135.00 133.01 2yrn s PRO 72 Ca 0.28 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2yrn s PRO 72 Cb -0.03 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2yrn s PRO 72 CO -0.16 -0.08 0.00 1.63 0.04 0.00 0.00 177.00 178.43 2yrn n LYS 73 N 0.81 1.48 -2.72 4.56 5.02 -1.26 -5.02 118.16 121.02 2yrn n LYS 73 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2yrn n LYS 73 Cb 0.43 -0.75 0.03 0.00 -0.02 0.00 0.00 35.03 34.72 2yrn n LYS 73 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2yrn s ASN 74 N -2.43 5.40 0.32 4.39 -0.87 -1.26 -5.00 114.94 115.49 2yrn s ASN 74 Ca 0.00 0.03 0.13 0.00 -1.57 0.00 0.00 52.86 51.46 2yrn s ASN 74 Cb 0.00 -1.00 0.52 0.00 -0.02 0.00 0.00 41.25 40.75 2yrn s ASN 74 CO 0.00 -1.04 1.69 0.08 -2.57 0.00 0.00 177.10 175.26 2yrn h ARG 75 N 0.16 0.00 0.12 -0.60 -0.00 -2.03 -3.25 114.38 108.77 2yrn h ARG 75 Ca -0.43 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 59.20 2yrn h ARG 75 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.24 2yrn h ARG 75 CO 0.53 0.50 -1.94 -1.13 -0.00 0.00 0.00 179.97 177.94 2yrn n SER 76 N -3.78 2.11 -0.26 0.08 3.41 -1.26 -4.19 113.62 109.73 2yrn n SER 76 Ca -0.01 0.23 0.24 0.00 -0.26 0.00 0.00 58.87 59.07 2yrn n SER 76 Cb 0.55 -0.88 0.44 0.00 -0.26 0.00 0.00 64.21 64.05 2yrn n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yrn n GLN 77 N -3.56 -0.05 0.03 4.33 1.13 -1.23 0.16 117.38 118.19 2yrn n GLN 77 Ca -0.32 1.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.75 2yrn n GLN 77 Cb 1.02 -1.99 -0.08 0.00 0.11 0.00 0.00 30.24 29.31 2yrn n GLN 77 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2yrn h MET 78 N 0.00 -0.01 -0.87 -1.09 2.86 -1.73 -3.12 114.93 110.97 2yrn h MET 78 Ca 0.66 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.43 2yrn h MET 78 Cb 1.70 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.22 2yrn h MET 78 CO -0.64 0.13 -0.36 -0.89 1.06 0.00 0.00 176.91 176.22 2yrn n ILE 79 N -5.03 -0.47 -0.23 -1.22 2.08 0.41 0.12 119.36 115.02 2yrn n ILE 79 Ca -0.07 2.04 0.03 0.00 0.56 0.00 0.00 62.75 65.31 2yrn n ILE 79 Cb 0.10 -2.68 0.15 0.00 -0.75 0.00 0.00 39.64 36.45 2yrn n ILE 79 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2yrn h GLU 80 N 0.00 0.38 0.08 0.38 4.39 -1.50 0.24 114.58 118.54 2yrn h GLU 80 Ca 0.29 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.97 2yrn h GLU 80 Cb 0.50 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2yrn h GLU 80 CO -0.86 0.25 -0.36 -0.91 -1.16 0.00 0.00 179.01 175.97 2yrn h ASN 81 N 0.39 -1.08 -0.86 1.42 4.21 0.86 0.23 115.58 120.75 2yrn h ASN 81 Ca 0.36 0.11 0.01 0.00 1.21 0.00 0.00 56.30 58.00 2yrn h ASN 81 Cb 0.52 0.40 -0.04 0.00 -1.12 0.00 0.00 38.32 38.08 2yrn h ASN 81 CO -0.38 -0.38 0.57 0.40 -1.29 0.00 0.00 177.43 176.36 2yrn h ILE 82 N -0.51 1.22 -0.26 2.81 2.04 -1.10 -2.60 117.51 119.10 2yrn h ILE 82 Ca -0.00 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2yrn h ILE 82 Cb 0.51 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2yrn h ILE 82 CO -0.19 0.21 0.07 -0.78 0.00 0.00 0.00 178.15 177.46 2yrn h ASP 83 N 1.16 0.06 -0.88 1.72 3.58 0.08 -1.89 116.42 120.24 2yrn h ASP 83 Ca 0.32 0.03 0.15 0.00 0.42 0.00 0.00 57.03 57.95 2yrn h ASP 83 Cb -0.13 0.04 -0.09 0.00 1.72 0.00 0.00 39.33 40.87 2yrn h ASP 83 CO -0.07 0.07 0.48 0.00 -2.88 0.00 0.00 179.24 176.84 2yrn h ALA 84 N 1.18 1.35 -0.65 -0.78 0.00 -0.16 0.13 119.26 120.33 2yrn h ALA 84 Ca 0.12 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2yrn h ALA 84 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2yrn h ALA 84 CO -0.14 -0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.18 2yrn h LEU 86 N 0.99 0.45 -0.89 0.00 3.38 -0.36 -1.36 115.31 117.52 2yrn h LEU 86 Ca 0.20 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2yrn h LEU 86 Cb 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2yrn h LEU 86 CO 0.01 0.70 -0.24 0.78 0.09 0.00 0.00 178.44 179.78 2yrn h ASN 87 N 0.20 0.54 -0.38 -0.43 2.35 -0.73 -1.86 115.58 115.27 2yrn h ASN 87 Ca 0.06 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2yrn h ASN 87 Cb 0.49 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2yrn h ASN 87 CO 0.02 0.78 -0.11 0.15 -1.65 0.00 0.00 177.43 176.62 2yrn h PHE 88 N 0.47 0.84 -0.57 1.19 3.04 -0.73 -3.04 116.94 118.14 2yrn h PHE 88 Ca 0.07 -0.19 -0.10 0.00 3.98 0.00 0.00 57.97 61.73 2yrn h PHE 88 Cb 0.68 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 2yrn h PHE 88 CO 0.02 0.89 -0.04 -0.07 -2.02 0.00 0.00 178.31 177.10 2yrn h LEU 89 N 0.54 1.02 -0.91 0.59 3.38 -1.12 -2.96 115.31 115.85 2yrn h LEU 89 Ca 0.09 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 57.88 2yrn h LEU 89 Cb 0.63 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 2yrn h LEU 89 CO 0.04 1.10 0.53 0.00 0.09 0.00 0.00 178.44 180.20 2yrn h ALA 90 N 0.96 1.39 0.00 1.53 0.00 -1.27 0.42 119.26 122.29 2yrn h ALA 90 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2yrn h ALA 90 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2yrn h ALA 90 CO 0.04 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2yrn n ALA 91 N -2.38 1.19 0.70 0.00 0.00 -1.12 -0.58 120.51 118.32 2yrn n ALA 91 Ca 0.18 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.71 2yrn n ALA 91 Cb 0.41 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2yrn n ALA 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2yrn n LYS 92 N -1.49 0.20 0.00 0.00 4.76 0.15 -4.95 118.16 116.82 2yrn n LYS 92 Ca 0.01 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2yrn n LYS 92 Cb 0.04 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 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 1.42 1.60 3.71 0.72 0.00 0.25 -5.12 105.19 107.78 2yrn n GLY 93 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 4.54 -0.19 -0.61 1.01 -1.19 -5.02 121.20 117.75 2yrn s ILE 94 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 2yrn s ILE 94 Cb 0.00 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 2yrn s ILE 94 CO 0.00 0.60 1.08 0.21 0.00 0.00 0.00 174.94 176.83 2yrn s ASN 95 N -0.86 7.10 -0.01 3.58 3.84 -1.26 -3.91 114.94 123.43 2yrn s ASN 95 Ca 0.13 1.48 0.02 0.00 0.21 0.00 0.00 52.86 54.70 2yrn s ASN 95 Cb -0.12 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.01 2yrn s ASN 95 CO 0.03 -0.63 0.03 2.30 -2.79 0.00 0.00 177.10 176.03 2yrn n ILE 96 N 5.13 0.06 -0.35 -5.21 -5.35 -1.26 -4.73 119.36 107.65 2yrn n ILE 96 Ca 0.12 -0.06 0.05 0.00 -0.27 0.00 0.00 62.75 62.58 2yrn n ILE 96 Cb 0.46 -0.20 0.12 0.00 -1.74 0.00 0.00 39.64 38.28 2yrn n ILE 96 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2yrn h GLN 97 N 0.00 -0.00 -0.94 6.28 4.20 -1.95 0.66 115.11 123.36 2yrn h GLN 97 Ca -0.02 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.77 2yrn h GLN 97 Cb 0.57 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 2yrn h GLN 97 CO 0.00 -0.00 0.59 0.78 -0.67 0.00 0.00 178.83 179.53 2yrn h GLY 98 N -0.00 1.46 -1.12 3.46 0.00 -2.01 -3.43 103.07 101.43 2yrn h GLY 98 Ca 0.45 -0.42 -0.48 0.00 0.00 0.00 0.00 47.33 46.88 2yrn h GLY 98 CO -0.99 0.25 0.19 1.08 0.00 0.00 0.00 176.54 177.07 2yrn s LEU 99 N -10.21 2.02 -0.22 3.11 1.43 0.23 -5.05 118.68 110.00 2yrn s LEU 99 Ca -0.12 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.55 2yrn s LEU 99 Cb 0.20 -3.91 0.08 0.00 0.03 0.00 0.00 46.19 42.59 2yrn s LEU 99 CO 0.80 -3.10 0.14 -0.44 0.23 0.00 0.00 176.35 173.99 2yrn s SER 100 N -3.07 2.41 0.29 2.29 0.01 -1.26 -5.01 113.70 109.35 2yrn s SER 100 Ca 0.65 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2yrn s SER 100 Cb -0.20 -0.08 0.75 0.00 0.21 0.00 0.00 66.02 66.70 2yrn s SER 100 CO 0.59 -0.37 1.64 0.00 0.41 0.00 0.00 173.24 175.51 2yrn h ALA 101 N 8.38 1.33 0.27 1.44 0.00 -1.93 0.42 119.26 129.17 2yrn h ALA 101 Ca -0.17 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2yrn h ALA 101 Cb 1.11 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2yrn h ALA 101 CO 0.33 -0.49 -0.18 1.49 0.00 0.00 0.00 179.25 180.40 2yrn h GLU 102 N 0.19 -0.42 -0.28 0.00 4.81 -1.95 -1.99 114.58 114.95 2yrn h GLU 102 Ca 0.57 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.89 2yrn h GLU 102 Cb 1.18 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 2yrn h GLU 102 CO -0.67 -0.28 -0.10 0.93 -0.73 0.00 0.00 179.01 178.15 2yrn h GLU 103 N -0.43 -0.05 -0.73 1.92 4.39 -1.40 -1.69 114.58 116.58 2yrn h GLU 103 Ca -0.02 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.81 2yrn h GLU 103 Cb 0.37 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.94 2yrn h GLU 103 CO 0.02 -0.03 0.30 0.82 -1.16 0.00 0.00 179.01 178.95 2yrn h ILE 104 N -0.05 0.69 -0.74 3.13 2.04 -1.03 0.66 117.51 122.21 2yrn h ILE 104 Ca 0.14 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2yrn h ILE 104 Cb 0.26 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 2yrn h ILE 104 CO -0.32 0.08 0.49 -0.09 0.00 0.00 0.00 178.15 178.32 2yrn h ARG 105 N 0.46 0.70 0.00 2.37 2.43 -0.54 0.12 114.38 119.91 2yrn h ARG 105 Ca 0.39 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2yrn h ARG 105 Cb 0.57 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2yrn h ARG 105 CO -0.38 0.46 0.00 -0.91 -1.51 0.00 0.00 179.97 177.64 2yrn h ASN 106 N 0.72 0.00 0.00 -3.80 2.35 -0.51 -3.44 115.58 110.91 2yrn h ASN 106 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2yrn h ASN 106 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2yrn h ASN 106 CO -0.12 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.27 2yrn n GLY 107 N 0.38 0.87 3.49 2.83 0.00 0.41 -5.00 105.19 108.18 2yrn n GLY 107 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 2yrn n GLY 107 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yrn n ASN 108 N 0.00 2.13 -0.17 1.61 2.85 -1.11 -4.72 115.26 115.86 2yrn n ASN 108 Ca 0.00 0.20 -0.12 0.00 -0.11 0.00 0.00 54.58 54.55 2yrn n ASN 108 Cb 0.00 -1.33 -0.08 0.00 1.24 0.00 0.00 39.78 39.61 2yrn n ASN 108 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2yrn h LEU 109 N 14.00 -1.76 -1.08 1.20 5.85 -1.94 0.67 115.31 132.25 2yrn h LEU 109 Ca -0.26 0.25 0.21 0.00 0.84 0.00 0.00 57.88 58.91 2yrn h LEU 109 Cb 1.30 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 43.04 2yrn h LEU 109 CO 1.07 -0.38 1.02 0.11 -0.34 0.00 0.00 178.44 179.92 2yrn h LYS 110 N -0.34 0.00 0.00 1.25 1.79 -1.99 0.53 116.57 117.81 2yrn h LYS 110 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2yrn h LYS 110 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2yrn h LYS 110 CO -0.63 0.00 -0.32 0.00 -1.08 0.00 0.00 179.45 177.42 2yrn h ALA 111 N 0.64 0.00 -0.53 3.86 0.00 -0.05 -3.27 119.26 119.91 2yrn h ALA 111 Ca 0.34 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2yrn h ALA 111 Cb 2.38 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 20.39 2yrn h ALA 111 CO -0.00 0.32 -0.19 0.82 0.00 0.00 0.00 179.25 180.20 2yrn h ILE 112 N -0.86 0.38 -0.36 0.00 5.03 -0.06 -0.99 117.51 120.66 2yrn h ILE 112 Ca 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.81 2yrn h ILE 112 Cb 0.32 0.38 -0.07 0.00 -3.03 0.00 0.00 36.82 34.42 2yrn h ILE 112 CO 0.00 0.00 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.29 2yrn h LEU 113 N -0.06 -0.39 -1.81 1.44 3.38 -1.18 0.05 115.31 116.74 2yrn h LEU 113 Ca 0.25 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.47 2yrn h LEU 113 Cb 0.45 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2yrn h LEU 113 CO -0.58 -0.14 0.42 1.23 0.09 0.00 0.00 178.44 179.46 2yrn h GLY 114 N -0.03 0.32 0.41 0.83 0.00 -1.25 0.53 103.07 103.88 2yrn h GLY 114 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2yrn h GLY 114 CO -0.38 0.04 -0.20 -2.00 0.00 0.00 0.00 176.54 174.00 2yrn h LEU 115 N 0.20 -0.46 -2.24 3.11 6.46 -0.37 -2.91 115.31 119.09 2yrn h LEU 115 Ca 0.29 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 2yrn h LEU 115 Cb 0.86 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2yrn h LEU 115 CO -0.05 -0.04 0.00 -0.26 -0.62 0.00 0.00 178.44 177.46 2yrn h PHE 116 N -1.12 0.00 -0.11 1.25 0.04 -1.07 0.85 116.94 116.78 2yrn h PHE 116 Ca -0.06 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.55 2yrn h PHE 116 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2yrn h PHE 116 CO 0.00 0.00 -0.62 0.35 -0.60 0.00 0.00 178.31 177.44 2yrn h PHE 117 N 0.00 0.51 0.03 -0.55 3.57 0.05 -3.04 116.94 117.51 2yrn h PHE 117 Ca 0.00 -0.20 -0.33 0.00 3.53 0.00 0.00 57.97 60.97 2yrn h PHE 117 Cb 0.23 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2yrn h PHE 117 CO 0.00 0.91 -1.83 0.43 -2.23 0.00 0.00 178.31 175.60 2yrn n SER 118 N -3.89 1.96 -0.14 0.41 7.64 -0.80 -4.21 113.62 114.59 2yrn n SER 118 Ca -0.03 0.30 -0.11 0.00 1.01 0.00 0.00 58.87 60.04 2yrn n SER 118 Cb 0.64 -0.86 -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 -0.65 -1.61 -0.89 -3.43 5.85 -0.98 0.55 115.31 114.15 2yrn h LEU 119 Ca -0.46 0.23 0.24 0.00 0.84 0.00 0.00 57.88 58.73 2yrn h LEU 119 Cb 1.60 0.68 -0.14 0.00 0.37 0.00 0.00 40.66 43.17 2yrn h LEU 119 CO -0.17 -0.38 0.28 -1.28 -0.34 0.00 0.00 178.44 176.55 2yrn h SER 120 N -0.35 0.08 -0.22 1.25 0.87 -1.75 0.10 113.55 113.53 2yrn h SER 120 Ca 0.12 0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.92 2yrn h SER 120 Cb 0.59 0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 2yrn h SER 120 CO -0.59 -0.14 -0.10 0.03 -0.53 0.00 0.00 176.83 175.49 2yrn h ARG 121 N 0.23 -0.07 -0.76 2.24 3.08 -1.07 0.21 114.38 118.24 2yrn h ARG 121 Ca 0.57 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.85 2yrn h ARG 121 Cb 1.17 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2yrn h ARG 121 CO -0.64 -0.05 0.85 -0.92 -1.07 0.00 0.00 179.97 178.14 2yrn h TYR 122 N -0.07 0.00 0.03 3.04 5.03 -0.41 0.24 116.97 124.84 2yrn h TYR 122 Ca 0.12 0.00 -0.38 0.00 2.58 0.00 0.00 58.73 61.05 2yrn h TYR 122 Cb 0.25 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.47 2yrn h TYR 122 CO -0.27 0.00 -2.34 1.17 -1.32 0.00 0.00 178.16 175.40 2yrn n LYS 123 N -3.49 0.68 0.19 1.82 3.00 -0.05 -3.04 118.16 117.27 2yrn n LYS 123 Ca 0.16 0.17 0.11 0.00 -0.00 0.00 0.00 58.31 58.75 2yrn n LYS 123 Cb 1.10 -1.57 0.58 0.00 0.00 0.00 0.00 35.03 35.14 2yrn n LYS 123 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2yrn h GLN 124 N 0.02 0.00 0.00 1.64 4.20 0.24 -1.89 115.11 119.32 2yrn h GLN 124 Ca -0.53 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 57.96 2yrn h GLN 124 Cb 1.96 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.70 2yrn h GLN 124 CO -0.03 0.00 -1.81 1.04 -0.67 0.00 0.00 178.83 177.36 2yrn n GLN 125 N -2.30 0.92 -0.18 1.46 6.02 -0.70 -4.64 117.38 117.96 2yrn n GLN 125 Ca -0.01 0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.00 2yrn n GLN 125 Cb 0.16 -1.29 0.04 0.00 1.02 0.00 0.00 30.24 30.17 2yrn n GLN 125 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2yrn h GLN 126 N 0.00 -0.06 -6.28 -1.09 -0.00 -1.26 -3.42 115.11 103.00 2yrn h GLN 126 Ca -0.32 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.73 2yrn h GLN 126 Cb 1.56 0.01 0.15 0.00 0.00 0.00 0.00 27.48 29.21 2yrn h GLN 126 CO -0.03 -0.04 -0.51 0.00 0.00 0.00 0.00 178.83 178.25 2yrn n GLN 127 N -5.41 0.45 -5.00 1.69 10.64 -1.10 -4.97 117.38 113.68 2yrn n GLN 127 Ca 0.05 0.17 -0.32 0.00 -1.83 0.00 0.00 57.00 55.07 2yrn n GLN 127 Cb 0.32 -1.42 -0.15 0.00 -0.86 0.00 0.00 30.24 28.13 2yrn n GLN 127 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2yrn s GLN 128 N -1.50 2.99 0.00 2.61 0.74 -1.26 -5.07 119.66 118.17 2yrn s GLN 128 Ca 0.63 -0.78 0.16 0.00 0.05 0.00 0.00 55.36 55.42 2yrn s GLN 128 Cb -0.60 -2.42 0.94 0.00 1.10 0.00 0.00 33.01 32.03 2yrn s GLN 128 CO 0.59 0.31 1.35 -0.35 -0.55 0.00 0.00 175.29 176.64