#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LYS 3 N 0.00 -3.76 -1.11 0.54 4.81 -1.26 -4.92 118.16 112.45 2wrj n LYS 3 Ca 0.00 2.94 -0.34 0.00 -0.87 0.00 0.00 58.31 60.04 2wrj n LYS 3 Cb 0.00 -4.81 0.12 0.00 0.02 0.00 0.00 35.03 30.36 2wrj n LYS 3 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2wrj n MET 4 N 1.29 0.18 -4.30 1.64 2.81 -1.26 -5.02 117.12 112.45 2wrj n MET 4 Ca -0.20 0.13 -0.33 0.00 -1.81 0.00 0.00 57.70 55.49 2wrj n MET 4 Cb 0.33 -2.31 -0.09 0.00 -0.71 0.00 0.00 33.22 30.44 2wrj n MET 4 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wrj s LYS 5 N -3.88 2.86 0.54 0.03 1.02 -1.26 -4.88 119.74 114.17 2wrj s LYS 5 Ca 0.71 -0.55 -0.14 0.00 0.02 0.00 0.00 55.97 56.01 2wrj s LYS 5 Cb -0.29 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.24 2wrj s LYS 5 CO 0.53 0.65 0.98 0.95 -0.92 0.00 0.00 175.35 177.54 2wrj s THR 6 N -1.04 4.61 -0.58 2.17 -4.23 -1.26 -4.98 115.64 110.33 2wrj s THR 6 Ca 0.18 1.06 -0.26 0.00 -1.18 0.00 0.00 61.69 61.49 2wrj s THR 6 Cb -0.11 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 69.99 2wrj s THR 6 CO 0.08 -0.83 1.06 -2.28 -0.54 0.00 0.00 174.62 172.11 2wrj s HIS 7 N -2.79 2.68 0.08 3.99 2.46 -0.26 -4.92 115.29 116.53 2wrj s HIS 7 Ca 0.57 0.09 -0.27 0.00 0.47 0.00 0.00 55.06 55.91 2wrj s HIS 7 Cb -0.10 -4.28 -0.17 0.00 -0.13 0.00 0.00 32.58 27.89 2wrj s HIS 7 CO 0.39 -1.51 1.67 0.87 -2.47 0.00 0.00 174.74 173.68 2wrj h LYS 8 N 9.47 -0.40 -0.87 2.88 1.79 -1.94 0.91 116.57 128.41 2wrj h LYS 8 Ca -0.26 0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.42 2wrj h LYS 8 Cb 1.07 0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 31.69 2wrj h LYS 8 CO 1.14 -0.25 0.40 0.78 -1.08 0.00 0.00 179.45 180.44 2wrj h GLY 9 N -0.43 1.44 0.58 3.86 0.00 -1.98 0.28 103.07 106.82 2wrj h GLY 9 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2wrj h GLY 9 CO 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 176.54 176.34 2wrj h ALA 10 N 1.64 -0.28 -0.89 3.60 0.00 -1.81 -3.16 119.26 118.36 2wrj h ALA 10 Ca 0.51 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.46 2wrj h ALA 10 Cb 0.88 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 2wrj h ALA 10 CO -0.46 -0.44 0.33 -0.22 0.00 0.00 0.00 179.25 178.45 2wrj h LYS 11 N -0.70 0.29 0.00 0.00 3.64 0.20 -0.31 116.57 119.69 2wrj h LYS 11 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wrj h LYS 11 Cb 0.49 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2wrj h LYS 11 CO 0.05 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 179.05 2wrj n LYS 12 N -5.13 0.47 -0.47 1.90 5.02 0.87 -3.88 118.16 116.93 2wrj n LYS 12 Ca 0.22 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2wrj n LYS 12 Cb 0.69 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 2wrj n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wrj n ARG 13 N -1.15 0.00 -3.65 1.97 1.85 -0.14 -5.07 116.66 110.46 2wrj n ARG 13 Ca 0.13 -0.94 -0.05 0.00 -1.00 0.00 0.00 57.85 55.98 2wrj n ARG 13 Cb 0.12 -0.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.98 2wrj n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wrj s VAL 14 N 0.00 -0.41 -0.08 8.89 0.11 -1.10 -4.67 120.40 123.14 2wrj s VAL 14 Ca 0.00 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 2wrj s VAL 14 Cb 0.00 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2wrj s VAL 14 CO 0.00 0.01 0.08 -0.75 -3.33 0.00 0.00 175.10 171.11 2wrj s LYS 15 N 2.14 3.20 -0.17 1.54 2.20 -0.17 -4.76 119.74 123.73 2wrj s LYS 15 Ca -0.08 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.17 2wrj s LYS 15 Cb -0.08 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2wrj s LYS 15 CO -0.19 0.73 0.05 -1.50 -0.36 0.00 0.00 175.35 174.08 2wrj s ILE 16 N -1.01 4.67 0.48 5.43 2.07 -1.26 0.61 121.20 132.20 2wrj s ILE 16 Ca 0.16 -0.08 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 2wrj s ILE 16 Cb -0.12 -3.08 0.10 0.00 0.13 0.00 0.00 42.46 39.49 2wrj s ILE 16 CO 0.05 0.49 0.66 0.35 -1.91 0.00 0.00 174.94 174.58 2wrj n THR 17 N 3.31 0.00 0.25 4.00 -2.24 -0.02 -4.88 114.28 114.70 2wrj n THR 17 Ca -0.17 -0.84 -0.16 0.00 -2.27 0.00 0.00 64.05 60.61 2wrj n THR 17 Cb 0.52 -1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 2wrj n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrj h ALA 18 N -0.92 -0.80 0.00 6.98 0.00 -1.99 -2.27 119.26 120.26 2wrj h ALA 18 Ca -0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wrj h ALA 18 Cb 0.73 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wrj h ALA 18 CO 0.20 -0.98 0.00 0.77 0.00 0.00 0.00 179.25 179.24 2wrj h SER 19 N -0.77 0.00 0.00 0.00 0.02 -2.05 -3.44 113.55 107.31 2wrj h SER 19 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wrj h SER 19 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2wrj h SER 19 CO -0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 2wrj n GLY 20 N -1.19 0.92 3.75 -3.77 0.00 -0.85 -5.07 105.19 98.97 2wrj n GLY 20 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2wrj n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s LYS 21 N -0.93 4.80 -0.01 1.61 1.02 -1.26 -4.81 119.74 120.17 2wrj s LYS 21 Ca 0.00 1.57 -0.19 0.00 0.02 0.00 0.00 55.97 57.37 2wrj s LYS 21 Cb 0.00 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 2wrj s LYS 21 CO 0.00 0.44 0.55 0.08 -0.92 0.00 0.00 175.35 175.50 2wrj s VAL 22 N -1.18 4.94 0.03 3.17 1.01 -1.26 -0.84 120.40 126.27 2wrj s VAL 22 Ca 0.42 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.60 2wrj s VAL 22 Cb -0.27 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2wrj s VAL 22 CO 0.34 0.45 -0.19 -0.69 0.00 0.00 0.00 175.10 175.00 2wrj s VAL 23 N -0.32 1.56 0.15 2.92 1.01 0.20 -4.35 120.40 121.57 2wrj s VAL 23 Ca 0.29 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2wrj s VAL 23 Cb -0.18 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 2wrj s VAL 23 CO 0.16 0.25 0.19 0.00 0.00 0.00 0.00 175.10 175.70 2wrj n ALA 24 N 2.08 -0.04 -1.35 5.51 0.00 -1.10 -1.00 120.51 124.62 2wrj n ALA 24 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2wrj n ALA 24 Cb 0.53 0.60 0.00 0.00 0.00 0.00 0.00 19.45 20.59 2wrj n ALA 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wrj n MET 25 N -0.26 3.49 -4.18 0.00 2.81 -1.26 0.34 117.12 118.06 2wrj n MET 25 Ca 0.01 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.67 2wrj n MET 25 Cb 0.26 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.60 2wrj n MET 25 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wrj s LYS 26 N 1.56 1.15 0.70 0.03 -0.14 -1.23 -3.99 119.74 117.82 2wrj s LYS 26 Ca 0.00 -0.18 -0.14 0.00 -1.36 0.00 0.00 55.97 54.29 2wrj s LYS 26 Cb 0.00 -1.13 0.02 0.00 -1.68 0.00 0.00 37.83 35.05 2wrj s LYS 26 CO 0.00 -0.11 1.12 0.95 -0.76 0.00 0.00 175.35 176.55 2wrj s THR 27 N 1.11 3.09 -0.43 2.17 -4.23 -1.26 -4.57 115.64 111.52 2wrj s THR 27 Ca -0.07 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 2wrj s THR 27 Cb -0.14 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.73 2wrj s THR 27 CO -0.01 -0.35 0.44 0.61 -0.54 0.00 0.00 174.62 174.77 2wrj n GLY 28 N -0.51 -0.95 0.00 3.99 0.00 -1.26 -4.97 105.19 101.48 2wrj n GLY 28 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2wrj n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrj n LYS 29 N -1.23 0.34 0.00 1.61 4.81 -1.26 -4.83 118.16 117.59 2wrj n LYS 29 Ca 0.02 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.50 2wrj n LYS 29 Cb 0.45 -0.03 0.27 0.00 0.02 0.00 0.00 35.03 35.74 2wrj n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wrj n ARG 30 N 0.00 0.38 0.00 1.64 5.12 -1.26 -4.27 116.66 118.27 2wrj n ARG 30 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wrj n ARG 30 Cb 0.00 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 2wrj n ARG 30 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2wrj n HIS 31 N -0.87 0.00 -0.01 -1.55 1.44 -1.26 -5.01 115.22 107.96 2wrj n HIS 31 Ca 0.07 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.66 2wrj n HIS 31 Cb 0.03 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.09 2wrj n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2wrj h LEU 32 N 0.00 -1.22 -3.49 2.39 -0.00 -1.88 -3.44 115.31 107.66 2wrj h LEU 32 Ca 0.00 0.17 -0.20 0.00 -0.00 0.00 0.00 57.88 57.85 2wrj h LEU 32 Cb 0.00 0.51 0.10 0.00 -0.00 0.00 0.00 40.66 41.26 2wrj h LEU 32 CO 0.00 -0.40 -0.90 0.59 -0.00 0.00 0.00 178.44 177.73 2wrj n ASN 33 N -5.43 -1.74 0.00 -0.43 5.03 -1.26 -4.72 115.26 106.72 2wrj n ASN 33 Ca -0.03 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wrj n ASN 33 Cb 0.35 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.87 2wrj n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 2wrj n TRP 34 N -1.17 0.00 -2.67 3.10 -0.00 -1.26 -4.93 117.44 110.51 2wrj n TRP 34 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.46 2wrj n TRP 34 Cb 0.26 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.60 2wrj n TRP 34 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2wrj n GLN 35 N 0.00 0.09 -3.68 5.87 7.27 -1.26 -5.11 117.38 120.56 2wrj n GLN 35 Ca 0.00 -0.76 -0.28 0.00 0.07 0.00 0.00 57.00 56.03 2wrj n GLN 35 Cb 0.00 0.14 -0.16 0.00 2.41 0.00 0.00 30.24 32.63 2wrj n GLN 35 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2wrj s LYS 36 N 0.92 0.51 0.44 3.69 1.02 -1.26 -5.12 119.74 119.94 2wrj s LYS 36 Ca 0.24 -0.56 -0.14 0.00 0.02 0.00 0.00 55.97 55.53 2wrj s LYS 36 Cb 0.14 -1.86 -0.12 0.00 -0.52 0.00 0.00 37.83 35.47 2wrj s LYS 36 CO -0.11 -0.80 -0.17 -1.13 -0.92 0.00 0.00 175.35 172.23 2wrj n SER 37 N 5.07 -3.07 -0.28 2.83 3.41 -1.26 -4.41 113.62 115.91 2wrj n SER 37 Ca -0.06 0.46 -0.05 0.00 -0.26 0.00 0.00 58.87 58.95 2wrj n SER 37 Cb 0.45 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2wrj n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wrj h GLY 38 N -0.11 -0.18 -0.70 5.00 0.00 -2.00 0.12 103.07 105.21 2wrj h GLY 38 Ca -0.32 0.52 0.17 0.00 0.00 0.00 0.00 47.33 47.70 2wrj h GLY 38 CO 0.30 -0.18 -0.07 1.17 0.00 0.00 0.00 176.54 177.76 2wrj n LYS 39 N -5.43 -0.06 0.00 4.80 4.81 -1.26 0.41 118.16 121.43 2wrj n LYS 39 Ca 0.06 1.07 0.00 0.00 -0.87 0.00 0.00 58.31 58.56 2wrj n LYS 39 Cb 0.36 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2wrj n LYS 39 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wrj n GLU 40 N -5.04 0.00 -0.43 1.64 -0.58 0.41 -0.58 120.64 116.07 2wrj n GLU 40 Ca 0.14 0.01 0.39 0.00 -0.42 0.00 0.00 57.16 57.28 2wrj n GLU 40 Cb 0.45 -0.73 0.74 0.00 -0.57 0.00 0.00 31.44 31.33 2wrj n GLU 40 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2wrj h ILE 41 N 0.00 0.30 0.42 -3.67 3.07 -1.46 0.10 117.51 116.27 2wrj h ILE 41 Ca 0.00 -0.01 -0.02 0.00 1.55 0.00 0.00 64.86 66.37 2wrj h ILE 41 Cb 0.00 0.25 0.00 0.00 -0.27 0.00 0.00 36.82 36.80 2wrj h ILE 41 CO 0.00 0.01 -0.20 -0.09 -1.05 0.00 0.00 178.15 176.82 2wrj h ARG 42 N 0.04 -0.55 -2.12 0.16 2.43 -0.05 -3.22 114.38 111.08 2wrj h ARG 42 Ca 0.68 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.89 2wrj h ARG 42 Cb 2.59 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 32.27 2wrj h ARG 42 CO -0.07 -0.36 0.06 1.04 -1.51 0.00 0.00 179.97 179.12 2wrj n GLN 43 N -3.93 0.00 -3.74 0.20 6.02 0.36 -4.33 117.38 111.97 2wrj n GLN 43 Ca -0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.64 2wrj n GLN 43 Cb 0.22 -1.42 -0.11 0.00 1.02 0.00 0.00 30.24 29.96 2wrj n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wrj n LYS 44 N 2.04 2.10 0.00 -1.09 4.01 -1.22 -5.00 118.16 119.00 2wrj n LYS 44 Ca 0.00 -4.56 0.00 0.00 -0.51 0.00 0.00 58.31 53.24 2wrj n LYS 44 Cb 0.00 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.24 2wrj n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wrj n GLY 45 N 1.58 0.87 3.65 0.72 0.00 -1.26 -4.82 105.19 105.92 2wrj n GLY 45 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2wrj n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 46 N 2.79 2.00 0.30 1.61 0.52 -1.26 -3.51 118.95 121.40 2wrj s ARG 46 Ca 0.00 -2.17 -0.14 0.00 -0.52 0.00 0.00 55.73 52.90 2wrj s ARG 46 Cb 0.00 -1.57 0.01 0.00 0.52 0.00 0.00 34.95 33.91 2wrj s ARG 46 CO 0.00 -0.13 0.60 -1.59 0.02 0.00 0.00 175.30 174.20 2wrj s LYS 47 N -3.76 1.79 0.00 3.54 -2.85 0.15 -4.91 119.74 113.71 2wrj s LYS 47 Ca 0.28 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2wrj s LYS 47 Cb 0.08 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 2wrj s LYS 47 CO 0.14 -0.79 0.00 1.19 0.10 0.00 0.00 175.35 176.00 2wrj n PHE 48 N -0.46 0.00 0.00 1.78 0.99 -1.26 -2.71 117.46 115.80 2wrj n PHE 48 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 2wrj n PHE 48 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.09 2wrj n PHE 48 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2wrj n VAL 49 N 0.00 0.00 -3.93 -4.37 0.24 -1.26 -4.57 118.33 104.43 2wrj n VAL 49 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2wrj n VAL 49 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 2wrj n VAL 49 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wrj s LEU 50 N 0.00 3.44 0.00 1.34 2.96 -1.26 -3.81 118.68 121.35 2wrj s LEU 50 Ca 0.00 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 2wrj s LEU 50 Cb 0.00 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.70 2wrj s LEU 50 CO 0.00 -0.34 0.00 0.00 -1.32 0.00 0.00 176.35 174.69 2wrj n ALA 51 N -1.28 0.00 0.14 5.97 0.00 -1.26 -4.16 120.51 119.92 2wrj n ALA 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wrj n ALA 51 Cb 0.60 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.22 2wrj n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrj h LYS 52 N 0.00 0.00 -0.26 0.00 6.56 -1.99 -3.02 116.57 117.86 2wrj h LYS 52 Ca 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.44 2wrj h LYS 52 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2wrj h LYS 52 CO 0.00 0.59 -0.44 -1.00 -2.06 0.00 0.00 179.45 176.55 2wrj h PRO 53 N 0.00 0.64 0.39 3.15 0.13 -1.72 -0.21 132.00 134.38 2wrj h PRO 53 Ca -0.01 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2wrj h PRO 53 Cb 1.16 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2wrj h PRO 53 CO 0.08 0.95 -0.27 0.93 -0.23 0.00 0.00 178.00 179.46 2wrj h GLU 54 N 0.52 -0.63 -0.46 0.86 5.08 -1.86 0.23 114.58 118.32 2wrj h GLU 54 Ca 0.04 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.57 2wrj h GLU 54 Cb 0.97 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2wrj h GLU 54 CO 0.09 -0.42 0.44 0.00 -1.00 0.00 0.00 179.01 178.12 2wrj h ALA 55 N -0.11 2.21 0.05 3.43 0.00 -1.33 -3.03 119.26 120.49 2wrj h ALA 55 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wrj h ALA 55 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wrj h ALA 55 CO 0.02 -0.68 -0.02 1.49 0.00 0.00 0.00 179.25 180.05 2wrj h GLU 56 N 0.00 -0.07 0.00 0.00 4.57 0.12 -3.29 114.58 115.91 2wrj h GLU 56 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2wrj h GLU 56 Cb 1.10 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2wrj h GLU 56 CO -0.00 -0.04 0.51 0.54 -1.18 0.00 0.00 179.01 178.83 2wrj n ARG 57 N -2.45 0.04 -0.01 1.92 1.74 0.21 0.09 116.66 118.20 2wrj n ARG 57 Ca -0.01 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2wrj n ARG 57 Cb 0.03 -2.14 0.01 0.00 -1.02 0.00 0.00 32.46 29.33 2wrj n ARG 57 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wrj n ILE 58 N -1.77 0.03 -0.18 0.55 2.08 -1.19 -2.35 119.36 116.53 2wrj n ILE 58 Ca -0.00 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2wrj n ILE 58 Cb 0.52 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 2wrj n ILE 58 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wrj n LYS 59 N -0.24 1.42 -1.80 0.38 5.02 0.11 -4.72 118.16 118.34 2wrj n LYS 59 Ca 0.00 -0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 2wrj n LYS 59 Cb 0.13 -0.27 0.04 0.00 -0.02 0.00 0.00 35.03 34.91 2wrj n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wrj n LEU 60 N -0.21 5.41 0.00 -0.35 4.77 -0.99 -1.10 117.00 124.53 2wrj n LEU 60 Ca 0.00 -4.60 0.00 0.00 -0.03 0.00 0.00 56.01 51.38 2wrj n LEU 60 Cb 0.05 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2wrj n LEU 60 CO 0.00 1.93 0.12 0.00 -1.33 0.00 0.00 177.39 178.11 2wrj n LEU 61 N -0.78 1.07 -0.01 2.23 -0.00 -1.21 -0.18 117.00 118.12 2wrj n LEU 61 Ca 0.47 0.23 0.22 0.00 -0.00 0.00 0.00 56.01 56.93 2wrj n LEU 61 Cb 0.90 0.00 0.59 0.00 -0.00 0.00 0.00 43.42 44.91 2wrj n LEU 61 CO 0.46 0.00 1.20 -0.07 -0.00 0.00 0.00 177.39 178.98 2wrj h LEU 62 N 0.00 0.00 0.00 1.47 3.38 -1.89 1.12 115.31 119.39 2wrj h LEU 62 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wrj h LEU 62 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wrj h LEU 62 CO 0.00 0.00 -1.52 -0.81 0.09 0.00 0.00 178.44 176.20 2wrj n PRO 63 N -3.39 0.59 -1.32 1.13 -0.04 -1.25 -5.07 135.00 125.64 2wrj n PRO 63 Ca 0.13 -0.06 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 2wrj n PRO 63 Cb 1.00 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 2wrj n PRO 63 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wrj n TYR 64 N -2.36 -3.51 0.00 0.54 4.02 0.39 -5.12 117.16 111.12 2wrj n TYR 64 Ca -0.02 1.64 0.00 0.00 -0.01 0.00 0.00 57.90 59.52 2wrj n TYR 64 Cb 0.54 -3.03 0.00 0.00 -0.02 0.00 0.00 39.34 36.84 2wrj n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94