#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 n ALA 3 N 0.00 0.18 -2.13 1.79 0.00 -1.26 -5.02 120.51 114.07 3ag4 n ALA 3 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 3ag4 n ALA 3 Cb 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 3ag4 n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag4 s LEU 4 N -2.49 4.55 0.82 0.00 1.43 -1.26 -5.07 118.68 116.67 3ag4 s LEU 4 Ca 0.77 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3ag4 s LEU 4 Cb -0.40 -3.15 0.09 0.00 0.03 0.00 0.00 46.19 42.76 3ag4 s LEU 4 CO 0.46 0.21 1.12 0.00 0.23 0.00 0.00 176.35 178.37 3ag4 s ALA 5 N -1.00 1.96 -0.21 4.21 0.00 -1.26 -4.99 121.76 120.47 3ag4 s ALA 5 Ca 0.34 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 3ag4 s ALA 5 Cb -0.22 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 3ag4 s ALA 5 CO 0.23 -2.14 1.62 0.21 0.00 0.00 0.00 175.76 175.68 3ag4 s LYS 6 N -4.73 3.82 0.67 0.00 2.20 -1.26 -5.04 119.74 115.39 3ag4 s LYS 6 Ca 0.64 1.70 -0.07 0.00 -0.36 0.00 0.00 55.97 57.88 3ag4 s LYS 6 Cb -0.20 -4.03 0.04 0.00 -1.51 0.00 0.00 37.83 32.13 3ag4 s LYS 6 CO 0.56 -1.27 0.99 -1.25 -0.36 0.00 0.00 175.35 174.02 3ag4 s PRO 7 N 4.64 2.53 0.27 4.03 0.04 -1.26 -5.03 135.00 140.22 3ag4 s PRO 7 Ca 0.72 -0.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.39 3ag4 s PRO 7 Cb -0.25 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.98 3ag4 s PRO 7 CO 0.29 -1.03 1.51 1.04 0.04 0.00 0.00 177.00 178.84 3ag4 n GLN 8 N -2.82 2.38 0.00 4.56 1.13 -1.26 -4.90 117.38 116.47 3ag4 n GLN 8 Ca 0.07 0.85 0.00 0.00 -1.94 0.00 0.00 57.00 55.97 3ag4 n GLN 8 Cb 0.59 -2.57 0.00 0.00 0.11 0.00 0.00 30.24 28.37 3ag4 n GLN 8 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3ag4 n MET 9 N 2.09 4.49 -4.86 -1.09 2.81 -1.26 -5.03 117.12 114.27 3ag4 n MET 9 Ca 0.10 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.67 3ag4 n MET 9 Cb 0.34 -0.44 -0.13 0.00 -0.71 0.00 0.00 33.22 32.28 3ag4 n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3ag4 s ARG 10 N -0.84 2.31 -1.29 0.03 0.52 -1.26 -4.69 118.95 113.73 3ag4 s ARG 10 Ca 0.00 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3ag4 s ARG 10 Cb 0.00 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.20 3ag4 s ARG 10 CO 0.00 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.32 3ag4 n GLY 11 N 2.04 0.16 0.35 -3.53 0.00 -1.26 -4.90 105.19 98.06 3ag4 n GLY 11 Ca -0.17 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.62 3ag4 n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ag4 h LEU 12 N 0.00 0.64 -0.04 0.99 3.38 -1.96 -0.80 115.31 117.53 3ag4 h LEU 12 Ca -0.33 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.44 3ag4 h LEU 12 Cb 1.18 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3ag4 h LEU 12 CO 0.41 0.41 -0.76 0.25 0.09 0.00 0.00 178.44 178.83 3ag4 h LEU 13 N 0.73 0.74 -0.66 1.67 5.85 -1.99 -1.16 115.31 120.48 3ag4 h LEU 13 Ca 0.31 -0.71 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 3ag4 h LEU 13 Cb 0.29 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3ag4 h LEU 13 CO -0.10 1.35 -0.36 0.00 -0.34 0.00 0.00 178.44 178.99 3ag4 h ALA 14 N 0.40 0.84 0.09 1.25 0.00 -1.88 -0.66 119.26 119.30 3ag4 h ALA 14 Ca -0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ag4 h ALA 14 Cb 1.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ag4 h ALA 14 CO 0.15 0.64 -0.04 -0.09 0.00 0.00 0.00 179.25 179.91 3ag4 h ARG 15 N 0.54 -0.11 -0.84 0.00 1.12 -1.12 -0.13 114.38 113.83 3ag4 h ARG 15 Ca 0.05 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 59.05 3ag4 h ARG 15 Cb 0.87 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.77 3ag4 h ARG 15 CO 0.07 0.04 0.47 -0.09 -3.11 0.00 0.00 179.97 177.35 3ag4 h ARG 16 N -0.25 0.71 0.49 0.20 2.43 -0.80 -1.95 114.38 115.21 3ag4 h ARG 16 Ca -0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3ag4 h ARG 16 Cb 0.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3ag4 h ARG 16 CO 0.02 0.47 -0.23 1.25 -1.51 0.00 0.00 179.97 179.96 3ag4 h LEU 17 N 0.73 -0.56 -0.11 3.80 5.85 -0.77 -2.07 115.31 122.19 3ag4 h LEU 17 Ca 0.43 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.15 3ag4 h LEU 17 Cb 0.49 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3ag4 h LEU 17 CO -0.30 -0.33 -0.40 -0.09 -0.34 0.00 0.00 178.44 176.98 3ag4 h ARG 18 N -0.75 -0.41 -0.99 1.25 2.43 -0.90 -0.84 114.38 114.16 3ag4 h ARG 18 Ca -0.07 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.28 3ag4 h ARG 18 Cb 0.55 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 30.03 3ag4 h ARG 18 CO 0.11 -0.28 -0.40 0.34 -1.51 0.00 0.00 179.97 178.24 3ag4 n PHE 19 N -4.69 0.01 0.11 2.20 -0.00 -0.75 -2.79 117.46 111.55 3ag4 n PHE 19 Ca -0.04 1.22 0.03 0.00 -0.00 0.00 0.00 57.45 58.66 3ag4 n PHE 19 Cb 0.28 -0.86 0.00 0.00 -0.00 0.00 0.00 39.48 38.90 3ag4 n PHE 19 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3ag4 h HIS 20 N 0.00 0.00 -0.43 -5.13 3.86 -0.65 -2.90 115.15 109.89 3ag4 h HIS 20 Ca 0.34 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.52 3ag4 h HIS 20 Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3ag4 h HIS 20 CO -0.88 0.43 0.16 0.82 0.86 0.00 0.00 177.93 179.33 3ag4 h ILE 21 N 0.00 1.21 -0.35 2.45 1.08 -1.00 0.51 117.51 121.41 3ag4 h ILE 21 Ca -0.05 -0.66 0.07 0.00 -0.39 0.00 0.00 64.86 63.83 3ag4 h ILE 21 Cb 1.38 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 35.88 3ag4 h ILE 21 CO 0.05 0.24 -0.10 0.58 -0.69 0.00 0.00 178.15 178.23 3ag4 h VAL 22 N 0.56 0.64 -0.46 1.67 2.07 -1.52 -0.30 116.25 118.91 3ag4 h VAL 22 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3ag4 h VAL 22 Cb 0.21 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3ag4 h VAL 22 CO -0.01 0.00 0.23 1.23 0.02 0.00 0.00 177.57 179.04 3ag4 h GLY 23 N -0.01 0.63 0.07 2.17 0.00 -1.26 -1.81 103.07 102.85 3ag4 h GLY 23 Ca 0.17 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.46 3ag4 h GLY 23 CO -0.36 0.10 0.03 0.00 0.00 0.00 0.00 176.54 176.31 3ag4 h ALA 24 N 1.25 0.58 -0.24 3.60 0.00 0.45 -0.20 119.26 124.69 3ag4 h ALA 24 Ca 0.20 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.31 3ag4 h ALA 24 Cb 0.11 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ag4 h ALA 24 CO -0.14 -0.37 0.03 0.35 0.00 0.00 0.00 179.25 179.11 3ag4 h PHE 25 N 0.14 0.04 -0.51 0.00 3.57 -0.84 -2.64 116.94 116.70 3ag4 h PHE 25 Ca 0.30 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 3ag4 h PHE 25 Cb 0.46 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3ag4 h PHE 25 CO -0.32 -0.00 0.04 0.52 -2.23 0.00 0.00 178.31 176.32 3ag4 h MET 26 N 0.11 0.83 0.25 1.11 2.86 -1.06 -0.75 114.93 118.29 3ag4 h MET 26 Ca 0.11 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3ag4 h MET 26 Cb 0.12 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3ag4 h MET 26 CO -0.16 0.80 -0.24 0.28 1.06 0.00 0.00 176.91 178.65 3ag4 h VAL 27 N 0.78 0.48 -0.37 -2.22 2.07 -0.84 -2.00 116.25 114.14 3ag4 h VAL 27 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 3ag4 h VAL 27 Cb 0.41 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 3ag4 h VAL 27 CO 0.01 0.00 -0.33 0.28 0.02 0.00 0.00 177.57 177.55 3ag4 h SER 28 N -0.52 -1.10 -0.68 0.57 0.02 -1.10 0.66 113.55 111.39 3ag4 h SER 28 Ca -0.01 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3ag4 h SER 28 Cb 0.48 0.51 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 3ag4 h SER 28 CO -0.05 -0.33 0.45 -0.07 -1.14 0.00 0.00 176.83 175.70 3ag4 h LEU 29 N -0.27 0.75 -0.09 5.07 4.07 -1.13 1.19 115.31 124.89 3ag4 h LEU 29 Ca 0.16 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.97 3ag4 h LEU 29 Cb 0.54 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3ag4 h LEU 29 CO -0.52 0.53 -0.64 1.23 -1.08 0.00 0.00 178.44 177.96 3ag4 h GLY 30 N 0.88 0.00 0.83 0.83 0.00 -0.98 -2.56 103.07 102.07 3ag4 h GLY 30 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.39 3ag4 h GLY 30 CO -0.06 0.00 -0.82 -2.75 0.00 0.00 0.00 176.54 172.91 3ag4 h PHE 31 N 0.00 0.66 -0.28 5.60 3.04 0.84 -3.09 116.94 123.72 3ag4 h PHE 31 Ca -0.01 -0.42 0.07 0.00 3.98 0.00 0.00 57.97 61.59 3ag4 h PHE 31 Cb 1.45 -0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.83 3ag4 h PHE 31 CO 0.00 1.28 -0.30 0.00 -2.02 0.00 0.00 178.31 177.27 3ag4 h ALA 32 N 0.21 -0.22 -1.05 2.41 0.00 0.14 0.46 119.26 121.22 3ag4 h ALA 32 Ca -0.13 0.07 0.34 0.00 0.00 0.00 0.00 54.91 55.20 3ag4 h ALA 32 Cb 1.57 0.62 -0.15 0.00 0.00 0.00 0.00 17.79 19.83 3ag4 h ALA 32 CO 0.16 -0.73 0.61 1.15 0.00 0.00 0.00 179.25 180.44 3ag4 h THR 33 N -0.29 0.26 0.00 0.00 2.02 -1.59 -0.94 112.91 112.38 3ag4 h THR 33 Ca 0.14 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3ag4 h THR 33 Cb 0.52 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3ag4 h THR 33 CO -0.44 0.05 -0.00 0.15 0.37 0.00 0.00 175.52 175.65 3ag4 h PHE 34 N 0.27 -0.01 -0.75 3.16 3.57 -0.14 -2.98 116.94 120.06 3ag4 h PHE 34 Ca 0.75 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.28 3ag4 h PHE 34 Cb 1.83 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.53 3ag4 h PHE 34 CO -0.01 0.80 0.47 -0.92 -2.23 0.00 0.00 178.31 176.42 3ag4 h TYR 35 N -0.83 0.88 0.00 0.41 3.20 -0.39 0.41 116.97 120.65 3ag4 h TYR 35 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ag4 h TYR 35 Cb 0.81 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3ag4 h TYR 35 CO 0.21 0.49 0.00 1.63 -1.64 0.00 0.00 178.16 178.85 3ag4 n LYS 36 N -4.64 0.09 -0.05 1.82 5.02 -0.38 -1.98 118.16 118.03 3ag4 n LYS 36 Ca 0.09 0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 56.82 3ag4 n LYS 36 Cb 0.10 -1.77 -0.04 0.00 -0.02 0.00 0.00 35.03 33.31 3ag4 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ag4 n PHE 37 N -1.96 0.00 0.92 2.13 -0.00 -0.23 -2.36 117.46 115.97 3ag4 n PHE 37 Ca -0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 3ag4 n PHE 37 Cb 0.05 -0.39 0.57 0.00 -0.00 0.00 0.00 39.48 39.72 3ag4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag4 n ALA 38 N -3.63 2.22 0.10 3.13 0.00 0.13 -3.61 120.51 118.85 3ag4 n ALA 38 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3ag4 n ALA 38 Cb 0.57 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3ag4 n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ag4 n VAL 39 N -1.50 0.53 0.17 0.00 0.31 -0.84 -4.75 118.33 112.26 3ag4 n VAL 39 Ca 0.07 0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.44 3ag4 n VAL 39 Cb 0.31 -0.96 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 3ag4 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag4 h ALA 40 N 0.00 -0.47 -0.66 3.52 0.00 -1.66 -0.97 119.26 119.03 3ag4 h ALA 40 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3ag4 h ALA 40 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ag4 h ALA 40 CO 0.00 -0.57 0.13 0.93 0.00 0.00 0.00 179.25 179.74 3ag4 h GLU 41 N -0.86 1.07 -0.99 0.00 4.39 -1.66 -2.47 114.58 114.06 3ag4 h GLU 41 Ca -0.05 -0.27 0.13 0.00 0.34 0.00 0.00 59.36 59.52 3ag4 h GLU 41 Cb 0.53 -0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 28.96 3ag4 h GLU 41 CO 0.08 0.97 0.62 -0.22 -1.16 0.00 0.00 179.01 179.30 3ag4 h LYS 42 N 1.01 0.91 -0.18 2.33 3.64 -1.61 -1.81 116.57 120.85 3ag4 h LYS 42 Ca 0.20 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3ag4 h LYS 42 Cb 0.40 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3ag4 h LYS 42 CO 0.01 0.60 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.69 3ag4 h ARG 43 N 0.93 0.32 -0.47 1.90 2.43 -0.85 -1.19 114.38 117.45 3ag4 h ARG 43 Ca 0.51 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.53 3ag4 h ARG 43 Cb 0.57 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3ag4 h ARG 43 CO -0.28 0.55 0.13 0.87 -1.51 0.00 0.00 179.97 179.73 3ag4 h LYS 44 N 0.06 0.70 0.00 0.20 1.57 -0.99 -1.62 116.57 116.50 3ag4 h LYS 44 Ca 0.05 -0.12 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 3ag4 h LYS 44 Cb 0.41 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.62 3ag4 h LYS 44 CO 0.01 0.63 -0.85 -0.22 -0.57 0.00 0.00 179.45 178.45 3ag4 h LYS 45 N 0.68 0.57 -0.23 3.15 3.64 -1.37 -1.42 116.57 121.58 3ag4 h LYS 45 Ca 0.16 -0.61 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 3ag4 h LYS 45 Cb 0.23 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 3ag4 h LYS 45 CO -0.01 1.23 -0.16 0.00 -2.27 0.00 0.00 179.45 178.25 3ag4 h ALA 46 N 0.36 0.01 -0.18 5.00 0.00 -0.90 0.54 119.26 124.09 3ag4 h ALA 46 Ca -0.11 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ag4 h ALA 46 Cb 1.53 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3ag4 h ALA 46 CO 0.17 -0.57 0.09 1.88 0.00 0.00 0.00 179.25 180.81 3ag4 h TYR 47 N -0.15 0.25 0.25 0.00 -1.99 -1.29 -0.57 116.97 113.47 3ag4 h TYR 47 Ca 0.13 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 3ag4 h TYR 47 Cb 0.35 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.00 3ag4 h TYR 47 CO -0.32 0.25 -0.12 0.00 -0.00 0.00 0.00 178.16 177.97 3ag4 h ALA 48 N 0.97 -0.34 -0.88 3.88 0.00 -1.16 -1.26 119.26 120.48 3ag4 h ALA 48 Ca 0.06 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ag4 h ALA 48 Cb 0.09 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3ag4 h ALA 48 CO -0.01 -0.67 0.55 -0.44 0.00 0.00 0.00 179.25 178.68 3ag4 h ASP 49 N -0.39 0.86 -0.11 0.00 3.45 0.11 -2.23 116.42 118.11 3ag4 h ASP 49 Ca -0.03 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 3ag4 h ASP 49 Cb 0.29 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3ag4 h ASP 49 CO 0.06 0.55 0.06 0.15 -1.57 0.00 0.00 179.24 178.49 3ag4 h PHE 50 N 0.99 0.14 0.00 4.55 3.57 -0.67 -3.10 116.94 122.43 3ag4 h PHE 50 Ca 0.38 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3ag4 h PHE 50 Cb 0.18 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3ag4 h PHE 50 CO -0.03 0.15 -0.07 0.66 -2.23 0.00 0.00 178.31 176.80 3ag4 n TYR 51 N -4.98 0.61 -0.07 0.41 4.02 -0.51 -3.85 117.16 112.79 3ag4 n TYR 51 Ca -0.05 0.18 -0.07 0.00 -0.01 0.00 0.00 57.90 57.95 3ag4 n TYR 51 Cb 0.06 -0.77 -0.01 0.00 -0.02 0.00 0.00 39.34 38.60 3ag4 n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3ag4 h ARG 52 N 0.00 0.07 -0.12 -0.72 2.43 -1.32 -2.55 114.38 112.17 3ag4 h ARG 52 Ca 0.00 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3ag4 h ARG 52 Cb 0.66 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.12 3ag4 h ARG 52 CO 0.00 0.05 -0.56 0.09 -1.51 0.00 0.00 179.97 178.04 3ag4 n ASN 53 N -5.17 2.22 -4.75 -3.80 3.02 -1.26 -5.07 115.26 100.46 3ag4 n ASN 53 Ca -0.00 -3.85 -0.41 0.00 -0.03 0.00 0.00 54.58 50.28 3ag4 n ASN 53 Cb 0.15 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 3ag4 n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ag4 s TYR 54 N -3.26 3.20 -0.32 3.10 5.04 -0.96 -4.98 117.35 119.18 3ag4 s TYR 54 Ca 0.40 1.29 0.03 0.00 -2.44 0.00 0.00 57.07 56.36 3ag4 s TYR 54 Cb 0.38 -3.62 0.09 0.00 0.35 0.00 0.00 41.96 39.16 3ag4 s TYR 54 CO -0.05 -1.85 0.02 0.34 -1.34 0.00 0.00 175.55 172.67 3ag4 s ASP 55 N 0.00 4.63 0.35 4.32 -1.08 -1.26 -5.01 116.67 118.62 3ag4 s ASP 55 Ca 0.54 -1.95 0.10 0.00 -0.52 0.00 0.00 52.55 50.72 3ag4 s ASP 55 Cb -0.38 -1.55 0.64 0.00 -1.46 0.00 0.00 42.92 40.18 3ag4 s ASP 55 CO 0.43 -0.34 1.80 0.77 0.52 0.00 0.00 175.17 178.35 3ag4 h SER 56 N 7.68 0.12 -0.27 -0.34 4.64 -1.99 -0.91 113.55 122.49 3ag4 h SER 56 Ca -0.08 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.04 3ag4 h SER 56 Cb 1.03 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3ag4 h SER 56 CO 0.50 0.46 -0.40 0.24 -0.87 0.00 0.00 176.83 176.76 3ag4 h MET 57 N 0.11 0.82 -0.65 4.77 2.86 -1.99 -0.35 114.93 120.50 3ag4 h MET 57 Ca 0.01 -0.43 -0.07 0.00 -2.06 0.00 0.00 59.70 57.15 3ag4 h MET 57 Cb 0.66 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 3ag4 h MET 57 CO 0.05 1.07 0.14 -0.22 1.06 0.00 0.00 176.91 179.01 3ag4 h LYS 58 N 0.67 1.03 -0.15 1.72 3.64 -1.94 -0.08 116.57 121.46 3ag4 h LYS 58 Ca 0.05 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 3ag4 h LYS 58 Cb 0.97 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3ag4 h LYS 58 CO 0.09 0.93 -0.00 0.22 -2.27 0.00 0.00 179.45 178.42 3ag4 h ASP 59 N 0.98 0.26 -0.74 4.20 -0.00 -0.90 -2.57 116.42 117.64 3ag4 h ASP 59 Ca 0.20 -0.31 0.11 0.00 -0.00 0.00 0.00 57.03 57.04 3ag4 h ASP 59 Cb 0.37 -0.07 -0.08 0.00 -0.00 0.00 0.00 39.33 39.55 3ag4 h ASP 59 CO 0.00 0.50 0.35 0.15 -0.00 0.00 0.00 179.24 180.24 3ag4 h PHE 60 N 0.00 0.61 -0.38 0.28 3.04 -0.90 -1.30 116.94 118.30 3ag4 h PHE 60 Ca 0.04 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 3ag4 h PHE 60 Cb 0.37 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 3ag4 h PHE 60 CO 0.03 0.18 0.14 1.49 -2.02 0.00 0.00 178.31 178.13 3ag4 h GLU 61 N 0.56 0.57 -0.59 1.11 4.57 -0.89 0.62 114.58 120.53 3ag4 h GLU 61 Ca 0.38 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 3ag4 h GLU 61 Cb 0.47 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 3ag4 h GLU 61 CO -0.32 0.56 0.32 0.93 -1.18 0.00 0.00 179.01 179.33 3ag4 h GLU 62 N 0.46 0.60 -0.66 1.92 5.08 -1.26 0.30 114.58 121.03 3ag4 h GLU 62 Ca 0.12 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3ag4 h GLU 62 Cb 0.21 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3ag4 h GLU 62 CO -0.01 0.40 0.22 0.52 -1.00 0.00 0.00 179.01 179.14 3ag4 h MET 63 N 0.62 1.01 -0.22 2.33 2.86 -0.80 -1.13 114.93 119.61 3ag4 h MET 63 Ca 0.26 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3ag4 h MET 63 Cb 0.13 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3ag4 h MET 63 CO -0.16 0.88 0.13 -0.09 1.06 0.00 0.00 176.91 178.73 3ag4 h ARG 64 N 0.95 0.30 -0.01 1.72 2.43 0.67 -2.29 114.38 118.15 3ag4 h ARG 64 Ca 0.21 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3ag4 h ARG 64 Cb 0.27 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3ag4 h ARG 64 CO -0.01 0.26 -0.10 0.87 -1.51 0.00 0.00 179.97 179.48 3ag4 h LYS 65 N 0.26 0.02 0.00 0.20 1.57 -0.36 -0.38 116.57 117.88 3ag4 h LYS 65 Ca 0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3ag4 h LYS 65 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3ag4 h LYS 65 CO -0.01 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 3ag4 n ALA 66 N -2.52 1.81 -1.29 3.86 0.00 -0.43 -4.92 120.51 117.01 3ag4 n ALA 66 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ag4 n ALA 66 Cb 0.18 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3ag4 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag4 n GLY 67 N 0.32 0.63 0.12 0.00 0.00 -0.15 -4.98 105.19 101.13 3ag4 n GLY 67 Ca 0.03 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.40 3ag4 n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3ag4 h ILE 68 N 0.00 0.00 -3.18 -0.61 3.07 -1.66 -3.47 117.51 111.67 3ag4 h ILE 68 Ca 0.00 -0.79 -0.58 0.00 1.55 0.00 0.00 64.86 65.04 3ag4 h ILE 68 Cb 0.50 1.48 -0.04 0.00 -0.27 0.00 0.00 36.82 38.48 3ag4 h ILE 68 CO 0.00 0.00 -0.22 -0.36 -1.05 0.00 0.00 178.15 176.52 3ag4 s PHE 69 N -3.24 3.56 0.16 0.16 2.99 -1.26 -4.98 117.98 115.36 3ag4 s PHE 69 Ca 0.04 0.81 0.01 0.00 0.00 0.00 0.00 56.93 57.80 3ag4 s PHE 69 Cb 0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 43.02 40.91 3ag4 s PHE 69 CO 0.72 0.47 1.36 1.96 -0.00 0.00 0.00 175.22 179.74 3ag4 h GLN 70 N 3.48 0.23 -0.02 0.44 4.20 -2.02 -3.36 115.11 118.07 3ag4 h GLN 70 Ca -0.48 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 57.97 3ag4 h GLN 70 Cb 1.19 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3ag4 h GLN 70 CO 0.67 0.98 -0.33 -1.13 -0.67 0.00 0.00 178.83 178.35 3ag4 n SER 71 N -3.67 1.89 -3.54 1.46 3.41 -1.26 -4.87 113.62 107.05 3ag4 n SER 71 Ca -0.04 -1.43 -0.14 0.00 -0.26 0.00 0.00 58.87 56.99 3ag4 n SER 71 Cb 0.81 0.30 -0.12 0.00 -0.26 0.00 0.00 64.21 64.95 3ag4 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ag4 s ALA 72 N -2.39 -0.57 -2.05 7.33 0.00 -1.26 -5.26 121.76 117.57 3ag4 s ALA 72 Ca 0.22 0.69 0.16 0.00 0.00 0.00 0.00 51.96 53.04 3ag4 s ALA 72 Cb 0.19 -1.27 0.13 0.00 0.00 0.00 0.00 23.12 22.17 3ag4 s ALA 72 CO 0.51 -0.98 1.02 1.63 0.00 0.00 0.00 175.76 177.94