#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 n SER 2 N 0.00 2.58 0.00 0.00 2.88 -1.26 -5.08 113.62 112.74 3ag3 n SER 2 Ca 0.00 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.79 3ag3 n SER 2 Cb 0.00 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 3ag3 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag3 n ALA 3 N 0.95 0.00 0.00 -1.46 0.00 -1.26 -4.28 120.51 114.46 3ag3 n ALA 3 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3ag3 n ALA 3 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3ag3 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ag3 n ALA 4 N 0.00 0.00 -2.64 0.00 0.00 -1.26 -5.16 120.51 111.46 3ag3 n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ag3 n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ag3 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag3 n LYS 5 N 0.00 0.00 0.00 0.00 5.02 -1.26 -5.15 118.16 116.77 3ag3 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3ag3 n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3ag3 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag3 n GLY 6 N 1.43 0.01 0.00 0.72 0.00 -1.26 -5.12 105.19 100.97 3ag3 n GLY 6 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ag3 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ag3 n ASP 7 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.75 116.55 112.07 3ag3 n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3ag3 n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3ag3 n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3ag3 n HIS 8 N 0.00 0.00 -0.34 -0.67 8.25 -1.26 -4.70 115.22 116.49 3ag3 n HIS 8 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3ag3 n HIS 8 Cb 0.00 -0.51 0.07 0.00 1.12 0.00 0.00 29.99 30.67 3ag3 n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ag3 n GLY 9 N -0.73 -1.75 0.00 -1.41 0.00 -1.26 -5.13 105.19 94.91 3ag3 n GLY 9 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.02 3ag3 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 10 N -1.49 3.04 0.00 -0.02 0.00 -1.26 -5.31 105.19 100.15 3ag3 n GLY 10 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3ag3 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 12 N 0.00 0.94 0.19 -0.02 0.00 -1.26 -4.86 105.19 100.18 3ag3 n GLY 12 Ca 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 3ag3 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 h ALA 13 N 0.00 0.49 -0.66 4.61 0.00 -2.05 -2.03 119.26 119.62 3ag3 h ALA 13 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3ag3 h ALA 13 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3ag3 h ALA 13 CO 0.00 0.13 0.25 -0.09 0.00 0.00 0.00 179.25 179.54 3ag3 h ARG 14 N 0.46 0.41 -0.44 0.00 2.43 -1.99 0.37 114.38 115.62 3ag3 h ARG 14 Ca 0.12 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 3ag3 h ARG 14 Cb 0.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3ag3 h ARG 14 CO -0.00 0.27 -0.21 1.15 -1.51 0.00 0.00 179.97 179.67 3ag3 h THR 15 N 0.42 1.27 -0.02 0.20 2.02 -1.82 -1.05 112.91 113.93 3ag3 h THR 15 Ca 0.34 -1.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.08 3ag3 h THR 15 Cb 0.46 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3ag3 h THR 15 CO -0.34 0.46 -0.48 -0.50 0.37 0.00 0.00 175.52 175.03 3ag3 h TRP 16 N 0.76 0.04 -0.10 3.16 4.06 -0.77 -0.21 115.95 122.89 3ag3 h TRP 16 Ca 0.10 -0.01 -0.18 0.00 2.06 0.00 0.00 58.89 60.86 3ag3 h TRP 16 Cb 0.75 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.89 3ag3 h TRP 16 CO 0.04 0.51 -0.69 -0.09 -3.56 0.00 0.00 178.44 174.65 3ag3 h ARG 17 N 0.03 0.46 -0.81 0.49 2.43 -0.84 -0.75 114.38 115.38 3ag3 h ARG 17 Ca -0.00 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3ag3 h ARG 17 Cb 0.86 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 3ag3 h ARG 17 CO 0.06 0.98 0.41 0.35 -1.51 0.00 0.00 179.97 180.26 3ag3 h PHE 18 N 0.32 1.15 -0.03 2.20 -0.00 -0.56 -0.72 116.94 119.30 3ag3 h PHE 18 Ca -0.02 -0.05 -0.18 0.00 -0.00 0.00 0.00 57.97 57.72 3ag3 h PHE 18 Cb 1.27 -0.36 -0.01 0.00 -0.00 0.00 0.00 35.95 36.84 3ag3 h PHE 18 CO 0.05 0.82 -0.76 -0.07 -0.00 0.00 0.00 178.31 178.35 3ag3 h LEU 19 N 1.15 0.30 0.31 0.59 3.38 -0.85 0.31 115.31 120.50 3ag3 h LEU 19 Ca 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ag3 h LEU 19 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ag3 h LEU 19 CO -0.04 0.95 -0.15 0.74 0.09 0.00 0.00 178.44 180.03 3ag3 h THR 20 N 0.16 0.71 0.00 0.22 2.02 -0.62 -0.59 112.91 114.81 3ag3 h THR 20 Ca -0.03 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3ag3 h THR 20 Cb 1.33 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3ag3 h THR 20 CO 0.12 0.03 -0.36 -0.26 0.37 0.00 0.00 175.52 175.42 3ag3 h PHE 21 N -0.50 0.00 0.00 3.16 0.05 -1.13 0.00 116.94 118.52 3ag3 h PHE 21 Ca -0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.75 3ag3 h PHE 21 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.33 3ag3 h PHE 21 CO -0.03 0.00 -1.82 0.41 -0.18 0.00 0.00 178.31 176.68 3ag3 n GLY 22 N 1.13 -0.82 1.20 -1.45 0.00 0.11 -4.40 105.19 100.96 3ag3 n GLY 22 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3ag3 n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ag3 n LEU 23 N -2.12 0.16 0.08 0.99 7.94 -0.48 -4.75 117.00 118.82 3ag3 n LEU 23 Ca -0.03 0.04 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3ag3 n LEU 23 Cb 0.47 -0.04 -0.08 0.00 0.53 0.00 0.00 43.42 44.30 3ag3 n LEU 23 CO 0.38 -0.22 0.52 0.00 -1.11 0.00 0.00 177.39 176.95 3ag3 h ALA 24 N 0.00 -0.24 -0.55 1.96 0.00 -1.10 -0.57 119.26 118.76 3ag3 h ALA 24 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3ag3 h ALA 24 Cb 0.66 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ag3 h ALA 24 CO 0.00 -0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 178.71 3ag3 h LEU 25 N -0.72 1.02 -0.75 0.00 3.38 -1.23 -1.75 115.31 115.25 3ag3 h LEU 25 Ca -0.02 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.69 3ag3 h LEU 25 Cb 0.50 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3ag3 h LEU 25 CO 0.04 1.12 0.41 -0.65 0.09 0.00 0.00 178.44 179.45 3ag3 h PRO 26 N 0.90 0.69 -0.68 1.13 0.11 -1.76 0.18 132.00 132.57 3ag3 h PRO 26 Ca 0.15 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.24 3ag3 h PRO 26 Cb 0.64 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 3ag3 h PRO 26 CO 0.04 0.46 0.43 0.77 -0.21 0.00 0.00 178.00 179.49 3ag3 h SER 27 N 0.71 0.71 -0.73 -2.05 0.02 -0.67 0.04 113.55 111.57 3ag3 h SER 27 Ca 0.36 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.26 3ag3 h SER 27 Cb 0.31 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3ag3 h SER 27 CO -0.24 0.50 0.29 0.58 -1.14 0.00 0.00 176.83 176.82 3ag3 h VAL 28 N 0.85 1.25 -0.63 2.27 2.07 -0.71 0.17 116.25 121.52 3ag3 h VAL 28 Ca 0.27 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 3ag3 h VAL 28 Cb -0.00 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3ag3 h VAL 28 CO -0.10 0.32 0.08 0.00 0.02 0.00 0.00 177.57 177.90 3ag3 h ALA 29 N 1.23 0.95 -0.06 1.67 0.00 -0.35 0.21 119.26 122.90 3ag3 h ALA 29 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ag3 h ALA 29 Cb 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ag3 h ALA 29 CO -0.02 0.65 0.03 -0.07 0.00 0.00 0.00 179.25 179.84 3ag3 h LEU 30 N 0.98 0.09 -1.72 0.00 3.38 -0.38 -0.99 115.31 116.66 3ag3 h LEU 30 Ca 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3ag3 h LEU 30 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ag3 h LEU 30 CO 0.02 0.22 -0.17 0.00 0.09 0.00 0.00 178.44 178.59 3ag3 h THR 32 N 0.00 1.31 0.80 0.00 2.02 -0.16 -1.13 112.91 115.76 3ag3 h THR 32 Ca -0.00 -1.97 -0.04 0.00 0.77 0.00 0.00 66.41 65.17 3ag3 h THR 32 Cb 0.33 1.95 0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3ag3 h THR 32 CO 0.02 0.62 -0.38 0.25 0.37 0.00 0.00 175.52 176.39 3ag3 h LEU 33 N 0.46 -0.91 -0.98 2.58 7.12 -0.87 0.16 115.31 122.87 3ag3 h LEU 33 Ca -0.03 0.03 0.34 0.00 0.13 0.00 0.00 57.88 58.35 3ag3 h LEU 33 Cb 1.31 0.24 -0.17 0.00 -0.53 0.00 0.00 40.66 41.50 3ag3 h LEU 33 CO 0.14 -0.62 0.39 -1.13 -0.13 0.00 0.00 178.44 177.08 3ag3 h ASN 34 N -1.13 0.15 0.22 1.25 -0.00 -1.13 -2.00 115.58 112.94 3ag3 h ASN 34 Ca -0.11 0.24 -0.01 0.00 -0.00 0.00 0.00 56.30 56.42 3ag3 h ASN 34 Cb 0.82 0.28 0.00 0.00 -0.00 0.00 0.00 38.32 39.43 3ag3 h ASN 34 CO 0.18 -0.31 -0.11 0.28 -0.00 0.00 0.00 177.43 177.48 3ag3 h SER 35 N 0.11 -0.26 -0.11 1.15 0.02 -1.16 -2.94 113.55 110.36 3ag3 h SER 35 Ca 0.72 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 61.30 3ag3 h SER 35 Cb 1.72 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 64.29 3ag3 h SER 35 CO -0.75 0.21 0.01 0.79 -1.14 0.00 0.00 176.83 175.95 3ag3 n TRP 36 N -5.01 0.28 0.11 3.45 5.03 0.55 -2.12 117.44 119.73 3ag3 n TRP 36 Ca -0.08 -1.26 0.00 0.00 3.03 0.00 0.00 57.50 59.18 3ag3 n TRP 36 Cb 0.26 -0.79 0.00 0.00 -1.03 0.00 0.00 31.31 29.75 3ag3 n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3ag3 n LEU 37 N 1.49 -1.15 -0.39 -0.99 7.94 -1.20 -4.80 117.00 117.90 3ag3 n LEU 37 Ca 0.14 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 3ag3 n LEU 37 Cb 0.59 1.23 0.00 0.00 0.53 0.00 0.00 43.42 45.77 3ag3 n LEU 37 CO 0.09 -0.39 0.26 1.41 -1.11 0.00 0.00 177.39 177.64 3ag3 n HIS 38 N -3.07 0.00 -1.67 1.96 8.25 -0.90 -4.85 115.22 114.95 3ag3 n HIS 38 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3ag3 n HIS 38 Cb 0.00 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.06 3ag3 n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ag3 n SER 39 N -0.04 0.08 0.00 0.41 3.41 -1.02 -5.02 113.62 111.44 3ag3 n SER 39 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 3ag3 n SER 39 Cb 0.17 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3ag3 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag3 n GLY 40 N 4.04 -2.90 3.63 5.00 0.00 -1.26 -4.94 105.19 108.77 3ag3 n GLY 40 Ca 0.02 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 3ag3 n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ag3 s HIS 41 N -2.08 1.91 0.30 1.61 3.76 -1.26 -5.00 115.29 114.53 3ag3 s HIS 41 Ca 0.00 0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 55.01 3ag3 s HIS 41 Cb 0.00 -3.99 -0.10 0.00 1.11 0.00 0.00 32.58 29.60 3ag3 s HIS 41 CO 0.00 -3.46 1.28 1.03 -0.85 0.00 0.00 174.74 172.74 3ag3 s ARG 42 N 4.72 4.40 -0.27 1.40 0.52 -1.26 -4.96 118.95 123.49 3ag3 s ARG 42 Ca 0.76 2.14 -0.29 0.00 -0.52 0.00 0.00 55.73 57.82 3ag3 s ARG 42 Cb -0.29 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.09 3ag3 s ARG 42 CO 0.31 -0.14 1.08 -2.00 0.02 0.00 0.00 175.30 174.57 3ag3 s GLU 43 N -1.47 4.15 0.45 3.54 -6.30 -1.26 -4.96 118.70 112.84 3ag3 s GLU 43 Ca 0.50 1.23 -0.24 0.00 -2.50 0.00 0.00 54.97 53.96 3ag3 s GLU 43 Cb -0.38 -3.71 -0.09 0.00 0.00 0.00 0.00 34.13 29.95 3ag3 s GLU 43 CO 0.49 -0.79 1.09 2.89 0.02 0.00 0.00 175.26 178.95 3ag3 n ARG 44 N 6.66 1.45 -2.13 4.30 1.85 -1.26 -4.97 116.66 122.56 3ag3 n ARG 44 Ca 0.12 0.52 -0.30 0.00 -1.00 0.00 0.00 57.85 57.20 3ag3 n ARG 44 Cb 0.46 -2.17 0.01 0.00 -1.05 0.00 0.00 32.46 29.71 3ag3 n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3ag3 s PRO 45 N -2.20 3.47 0.38 2.89 0.04 -1.26 -4.97 135.00 133.34 3ag3 s PRO 45 Ca 0.65 0.51 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 3ag3 s PRO 45 Cb -0.52 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.73 3ag3 s PRO 45 CO 0.55 -0.51 1.04 0.00 0.04 0.00 0.00 177.00 178.12 3ag3 n ALA 46 N -2.62 0.23 -2.56 8.56 0.00 -1.26 -4.93 120.51 117.93 3ag3 n ALA 46 Ca 0.04 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 3ag3 n ALA 46 Cb 0.55 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 3ag3 n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ag3 s PHE 47 N -1.20 3.68 -0.07 0.00 2.19 -1.26 -5.05 117.98 116.27 3ag3 s PHE 47 Ca 0.61 1.56 0.00 0.00 0.33 0.00 0.00 56.93 59.44 3ag3 s PHE 47 Cb -0.59 -2.97 0.02 0.00 -1.31 0.00 0.00 43.02 38.17 3ag3 s PHE 47 CO 0.58 0.11 -0.05 0.42 1.83 0.00 0.00 175.22 178.11 3ag3 s ILE 48 N 0.55 0.71 -1.27 3.12 1.01 -1.26 -5.06 121.20 119.00 3ag3 s ILE 48 Ca 0.45 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 3ag3 s ILE 48 Cb -0.21 -0.75 -0.07 0.00 0.01 0.00 0.00 42.46 41.44 3ag3 s ILE 48 CO 0.25 0.29 2.54 -0.81 0.00 0.00 0.00 174.94 177.21 3ag3 n PRO 49 N 4.52 2.89 -1.74 2.79 -0.04 -1.26 -4.95 135.00 137.21 3ag3 n PRO 49 Ca -0.17 -1.82 -0.42 0.00 -0.04 0.00 0.00 63.50 61.05 3ag3 n PRO 49 Cb 0.51 -2.62 -0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3ag3 n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ag3 n TYR 50 N 3.89 2.66 0.88 0.54 4.01 -1.26 -4.91 117.16 122.97 3ag3 n TYR 50 Ca 0.62 0.49 0.13 0.00 -0.16 0.00 0.00 57.90 58.98 3ag3 n TYR 50 Cb 0.18 -2.48 0.48 0.00 -0.31 0.00 0.00 39.34 37.22 3ag3 n TYR 50 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3ag3 n HIS 51 N 0.46 0.25 1.50 -0.72 8.25 -1.26 -2.86 115.22 120.83 3ag3 n HIS 51 Ca 0.03 0.07 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 3ag3 n HIS 51 Cb 0.37 -0.58 0.53 0.00 1.12 0.00 0.00 29.99 31.44 3ag3 n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3ag3 n HIS 52 N -1.72 0.06 -4.46 4.41 1.44 -1.26 -4.87 115.22 108.82 3ag3 n HIS 52 Ca 0.06 -0.03 -0.23 0.00 -2.01 0.00 0.00 57.72 55.52 3ag3 n HIS 52 Cb 0.37 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.37 3ag3 n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3ag3 s LEU 53 N -1.87 2.59 -1.49 2.39 1.43 -1.14 -4.77 118.68 115.82 3ag3 s LEU 53 Ca 0.37 -1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 3ag3 s LEU 53 Cb 0.20 -0.83 0.05 0.00 0.03 0.00 0.00 46.19 45.64 3ag3 s LEU 53 CO 0.31 -0.21 0.65 0.54 0.23 0.00 0.00 176.35 177.87 3ag3 n ARG 54 N -0.62 -3.91 -1.93 1.70 3.00 -1.26 -4.82 116.66 108.81 3ag3 n ARG 54 Ca -0.06 0.46 -0.42 0.00 -0.01 0.00 0.00 57.85 57.83 3ag3 n ARG 54 Cb 0.62 -4.93 -0.02 0.00 0.00 0.00 0.00 32.46 28.13 3ag3 n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3ag3 s ILE 55 N -3.64 2.49 -0.35 0.55 -1.09 -1.26 -4.77 121.20 113.13 3ag3 s ILE 55 Ca 0.30 0.40 -0.00 0.00 -2.23 0.00 0.00 60.65 59.11 3ag3 s ILE 55 Cb -0.16 -3.25 0.12 0.00 -1.58 0.00 0.00 42.46 37.58 3ag3 s ILE 55 CO 0.88 0.06 0.16 -0.13 -1.23 0.00 0.00 174.94 174.67 3ag3 s ARG 56 N -0.07 0.75 -0.01 2.79 1.81 -1.26 -4.94 118.95 118.02 3ag3 s ARG 56 Ca 0.63 -1.28 0.21 0.00 -1.72 0.00 0.00 55.73 53.57 3ag3 s ARG 56 Cb -0.44 -1.82 -0.26 0.00 -0.45 0.00 0.00 34.95 31.98 3ag3 s ARG 56 CO 0.42 -1.08 0.75 0.25 -0.68 0.00 0.00 175.30 174.96 3ag3 n THR 57 N 4.42 0.00 -3.62 0.02 -2.24 -1.26 -4.97 114.28 106.63 3ag3 n THR 57 Ca 0.03 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 3ag3 n THR 57 Cb 0.39 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.24 3ag3 n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ag3 s LYS 58 N -3.12 0.86 0.44 -0.78 2.20 -1.26 -5.14 119.74 112.94 3ag3 s LYS 58 Ca 0.03 0.91 -0.25 0.00 -0.36 0.00 0.00 55.97 56.29 3ag3 s LYS 58 Cb 0.15 0.42 -0.08 0.00 -1.51 0.00 0.00 37.83 36.81 3ag3 s LYS 58 CO 0.86 -0.13 1.34 -2.14 -0.36 0.00 0.00 175.35 174.92 3ag3 s PRO 59 N 0.20 3.79 0.60 4.03 0.02 -1.26 -4.96 135.00 137.42 3ag3 s PRO 59 Ca -0.01 2.22 -0.19 0.00 0.02 0.00 0.00 61.00 63.03 3ag3 s PRO 59 Cb -0.04 -2.66 -0.03 0.00 0.02 0.00 0.00 34.50 31.79 3ag3 s PRO 59 CO 0.02 -0.66 1.28 -0.06 -0.33 0.00 0.00 177.00 177.25 3ag3 s PHE 60 N -1.27 2.24 -0.08 6.54 0.40 -0.07 -4.90 117.98 120.85 3ag3 s PHE 60 Ca 0.60 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 58.40 3ag3 s PHE 60 Cb -0.39 -3.65 0.10 0.00 0.51 0.00 0.00 43.02 39.59 3ag3 s PHE 60 CO 0.50 -2.66 1.36 0.43 0.70 0.00 0.00 175.22 175.55 3ag3 n SER 61 N -1.56 3.76 -3.89 1.36 7.64 -1.26 -4.04 113.62 115.63 3ag3 n SER 61 Ca 0.14 -2.35 -0.10 0.00 1.01 0.00 0.00 58.87 57.57 3ag3 n SER 61 Cb 0.48 -0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 3ag3 n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3ag3 s TRP 62 N -0.56 0.43 0.00 1.43 -2.14 -1.26 -5.05 118.94 111.79 3ag3 s TRP 62 Ca 0.10 -0.79 0.00 0.00 2.66 0.00 0.00 56.10 58.06 3ag3 s TRP 62 Cb 0.08 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.63 3ag3 s TRP 62 CO 0.01 -1.02 0.00 0.41 -2.66 0.00 0.00 176.95 173.69 3ag3 n GLY 63 N -0.40 2.03 0.82 3.67 0.00 -1.26 -1.07 105.19 108.97 3ag3 n GLY 63 Ca -0.02 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.70 3ag3 n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ag3 n ASP 64 N -0.76 2.35 0.00 1.61 5.68 -1.26 -4.87 116.55 119.30 3ag3 n ASP 64 Ca 0.00 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 3ag3 n ASP 64 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 3ag3 n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ag3 n GLY 65 N 0.93 2.42 0.01 6.12 0.00 -0.23 -4.83 105.19 109.60 3ag3 n GLY 65 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 3ag3 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ag3 n ASN 66 N 0.00 1.92 -4.35 1.61 5.15 -1.26 -0.89 115.26 117.43 3ag3 n ASN 66 Ca 0.00 -2.09 -0.32 0.00 -0.60 0.00 0.00 54.58 51.57 3ag3 n ASN 66 Cb 0.00 -0.06 -0.15 0.00 -0.53 0.00 0.00 39.78 39.04 3ag3 n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3ag3 s HIS 67 N -1.19 2.59 0.92 1.20 3.76 -1.26 -4.87 115.29 116.44 3ag3 s HIS 67 Ca 0.04 -0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 54.29 3ag3 s HIS 67 Cb 0.04 -1.66 0.14 0.00 1.11 0.00 0.00 32.58 32.21 3ag3 s HIS 67 CO 0.00 -0.10 1.09 0.95 -0.85 0.00 0.00 174.74 175.83 3ag3 s THR 68 N -0.21 2.53 0.30 1.30 -4.23 -1.26 -4.93 115.64 109.14 3ag3 s THR 68 Ca -0.01 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3ag3 s THR 68 Cb -0.13 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.19 3ag3 s THR 68 CO 0.03 -0.23 1.84 0.15 -0.54 0.00 0.00 174.62 175.88 3ag3 h PHE 69 N -1.62 0.73 -1.16 3.99 3.04 -2.01 -2.70 116.94 117.22 3ag3 h PHE 69 Ca -0.51 -0.07 -0.60 0.00 3.98 0.00 0.00 57.97 60.77 3ag3 h PHE 69 Cb 1.29 -0.21 -0.40 0.00 2.56 0.00 0.00 35.95 39.20 3ag3 h PHE 69 CO 0.40 0.65 -0.41 1.19 -2.02 0.00 0.00 178.31 178.11 3ag3 n PHE 70 N -4.27 3.06 -1.83 0.41 0.99 -1.26 -5.06 117.46 109.50 3ag3 n PHE 70 Ca 0.03 -2.64 -0.41 0.00 -0.00 0.00 0.00 57.45 54.43 3ag3 n PHE 70 Cb 0.24 -0.46 -0.02 0.00 -1.00 0.00 0.00 39.48 38.24 3ag3 n PHE 70 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 3ag3 s HIS 71 N -3.65 2.80 -0.29 1.38 5.65 -1.02 -4.98 115.29 115.18 3ag3 s HIS 71 Ca 0.52 0.85 0.03 0.00 0.25 0.00 0.00 55.06 56.70 3ag3 s HIS 71 Cb 0.42 -4.02 0.08 0.00 -1.18 0.00 0.00 32.58 27.88 3ag3 s HIS 71 CO -0.09 -3.38 -0.03 1.21 -0.65 0.00 0.00 174.74 171.80 3ag3 s ASN 72 N 0.44 4.44 0.55 9.88 3.84 -1.26 -5.03 114.94 127.80 3ag3 s ASN 72 Ca 0.62 -1.66 0.27 0.00 0.21 0.00 0.00 52.86 52.30 3ag3 s ASN 72 Cb -0.47 -1.47 1.47 0.00 -0.55 0.00 0.00 41.25 40.23 3ag3 s ASN 72 CO 0.47 -0.28 2.00 -0.65 -2.79 0.00 0.00 177.10 175.85 3ag3 h PRO 73 N 7.76 0.00 -0.29 0.43 0.11 -1.94 0.18 132.00 138.26 3ag3 h PRO 73 Ca -0.13 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.86 3ag3 h PRO 73 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3ag3 h PRO 73 CO 0.47 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.94 3ag3 h ARG 74 N 0.00 0.63 0.00 1.05 2.47 -1.95 -3.38 114.38 113.19 3ag3 h ARG 74 Ca 0.21 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3ag3 h ARG 74 Cb 0.93 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 3ag3 h ARG 74 CO -0.00 0.87 0.00 1.33 0.56 0.00 0.00 179.97 182.73 3ag3 n VAL 75 N -4.07 0.00 -3.74 2.04 0.24 -0.61 -4.92 118.33 107.27 3ag3 n VAL 75 Ca -0.01 -0.39 -0.38 0.00 -2.04 0.00 0.00 64.34 61.53 3ag3 n VAL 75 Cb 0.47 1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 33.75 3ag3 n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3ag3 s ASN 76 N -0.71 5.33 0.60 -1.34 0.01 0.55 -5.02 114.94 114.35 3ag3 s ASN 76 Ca 0.00 -1.57 -0.16 0.00 -0.71 0.00 0.00 52.86 50.42 3ag3 s ASN 76 Cb 0.00 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.76 3ag3 s ASN 76 CO 0.00 -0.46 1.06 -2.16 -1.51 0.00 0.00 177.10 174.04 3ag3 s PRO 77 N 1.30 3.28 0.74 -0.60 0.04 -1.26 -4.66 135.00 133.83 3ag3 s PRO 77 Ca 0.02 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 3ag3 s PRO 77 Cb -0.22 -2.02 0.09 0.00 0.04 0.00 0.00 34.50 32.38 3ag3 s PRO 77 CO -0.00 -0.85 1.05 -0.51 0.04 0.00 0.00 177.00 176.72 3ag3 s LEU 78 N -4.49 2.83 0.55 -3.56 1.43 0.34 -4.86 118.68 110.92 3ag3 s LEU 78 Ca 0.64 0.33 0.33 0.00 -1.03 0.00 0.00 54.13 54.40 3ag3 s LEU 78 Cb -0.17 -2.87 1.48 0.00 0.03 0.00 0.00 46.19 44.66 3ag3 s LEU 78 CO 0.37 -1.76 1.82 -0.65 0.23 0.00 0.00 176.35 176.36 3ag3 h PRO 79 N -0.71 0.00 -0.13 1.29 0.11 -1.89 0.16 132.00 130.82 3ag3 h PRO 79 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ag3 h PRO 79 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ag3 h PRO 79 CO 0.55 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 3ag3 n THR 80 N -4.06 0.15 0.00 -1.15 -2.24 -1.26 -4.87 114.28 100.85 3ag3 n THR 80 Ca 0.20 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3ag3 n THR 80 Cb 1.06 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.47 3ag3 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag3 n GLY 81 N 1.36 0.79 3.76 3.38 0.00 0.56 -5.04 105.19 110.00 3ag3 n GLY 81 Ca 0.16 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 3ag3 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ag3 s TYR 82 N -0.87 2.70 0.79 1.61 2.02 -1.26 -0.50 117.35 121.84 3ag3 s TYR 82 Ca 0.00 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.08 3ag3 s TYR 82 Cb 0.00 -3.49 0.07 0.00 -0.40 0.00 0.00 41.96 38.14 3ag3 s TYR 82 CO 0.00 -1.89 1.09 -1.21 -1.57 0.00 0.00 175.55 171.97 3ag3 s GLU 83 N -2.79 2.14 0.00 -0.62 2.02 -1.26 -4.90 118.70 113.29 3ag3 s GLU 83 Ca 0.66 0.82 0.00 0.00 0.02 0.00 0.00 54.97 56.48 3ag3 s GLU 83 Cb -0.32 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.00 3ag3 s GLU 83 CO 0.38 -1.63 0.49 1.63 0.02 0.00 0.00 175.26 176.15