#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 n VAL 5 N 0.00 4.74 -1.78 0.44 0.31 -1.26 -5.06 118.33 115.72 3ag3 n VAL 5 Ca 0.00 -5.14 -0.41 0.00 -0.01 0.00 0.00 64.34 58.79 3ag3 n VAL 5 Cb 0.00 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 3ag3 n VAL 5 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ag3 s VAL 6 N -0.87 2.01 0.00 2.52 1.01 -1.26 -5.08 120.40 118.73 3ag3 s VAL 6 Ca 0.36 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3ag3 s VAL 6 Cb 0.04 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3ag3 s VAL 6 CO 0.03 0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.42 3ag3 n LYS 7 N 0.26 3.09 -0.21 2.72 4.01 -1.26 -5.10 118.16 121.68 3ag3 n LYS 7 Ca 0.02 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.88 3ag3 n LYS 7 Cb 0.40 0.00 0.18 0.00 -0.51 0.00 0.00 35.03 35.09 3ag3 n LYS 7 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3ag3 n SER 8 N -0.19 3.08 -1.26 4.39 7.64 -1.26 -4.18 113.62 121.85 3ag3 n SER 8 Ca 0.00 -2.04 -0.08 0.00 1.01 0.00 0.00 58.87 57.76 3ag3 n SER 8 Cb 0.00 -0.27 0.13 0.00 -1.01 0.00 0.00 64.21 63.05 3ag3 n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ag3 n GLU 9 N 0.60 2.50 0.00 1.43 -0.58 -1.26 -4.48 120.64 118.84 3ag3 n GLU 9 Ca 0.13 -3.68 0.00 0.00 -0.42 0.00 0.00 57.16 53.19 3ag3 n GLU 9 Cb 0.47 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 3ag3 n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3ag3 n ASP 10 N -0.94 0.76 0.29 1.62 9.92 -1.26 -4.29 116.55 122.64 3ag3 n ASP 10 Ca 0.31 -0.09 0.15 0.00 -0.53 0.00 0.00 54.79 54.63 3ag3 n ASP 10 Cb 0.82 0.32 0.80 0.00 -0.64 0.00 0.00 41.12 42.43 3ag3 n ASP 10 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 3ag3 h TYR 11 N 0.00 0.00 -0.02 1.24 -0.00 -1.80 -2.41 116.97 113.98 3ag3 h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3ag3 h TYR 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3ag3 h TYR 11 CO 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.09 3ag3 n ALA 12 N -1.86 2.70 -2.43 0.10 0.00 -1.26 -4.95 120.51 112.81 3ag3 n ALA 12 Ca -0.02 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.68 3ag3 n ALA 12 Cb 0.26 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 3ag3 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag3 s LEU 13 N -2.12 2.40 0.58 0.00 1.43 -0.91 -5.11 118.68 114.95 3ag3 s LEU 13 Ca 0.33 -0.83 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 3ag3 s LEU 13 Cb 0.20 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3ag3 s LEU 13 CO 0.38 0.11 1.19 -2.65 0.23 0.00 0.00 176.35 175.60 3ag3 n PRO 14 N 0.46 1.25 -4.28 1.29 -0.02 -1.26 -4.98 135.00 127.45 3ag3 n PRO 14 Ca -0.14 0.47 -0.16 0.00 -2.02 0.00 0.00 63.50 61.65 3ag3 n PRO 14 Cb 0.55 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 3ag3 n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ag3 s SER 15 N -1.14 1.06 0.27 2.55 1.04 -1.26 -4.91 113.70 111.31 3ag3 s SER 15 Ca 0.76 -1.51 -0.15 0.00 0.48 0.00 0.00 55.95 55.53 3ag3 s SER 15 Cb -0.42 0.37 -0.08 0.00 0.10 0.00 0.00 66.02 65.99 3ag3 s SER 15 CO 0.46 -0.87 0.69 -0.47 0.98 0.00 0.00 173.24 174.03 3ag3 s TYR 16 N -3.79 3.47 -0.10 5.02 5.04 -1.26 -4.06 117.35 121.68 3ag3 s TYR 16 Ca 0.38 1.20 -0.13 0.00 -2.44 0.00 0.00 57.07 56.07 3ag3 s TYR 16 Cb 0.06 -2.50 0.03 0.00 0.35 0.00 0.00 41.96 39.90 3ag3 s TYR 16 CO 0.17 0.21 0.34 0.14 -1.34 0.00 0.00 175.55 175.06 3ag3 s VAL 17 N -1.80 0.02 -0.38 3.14 -7.23 -1.26 -5.06 120.40 107.83 3ag3 s VAL 17 Ca 0.49 -0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 60.41 3ag3 s VAL 17 Cb -0.12 -0.52 0.02 0.00 0.56 0.00 0.00 36.38 36.32 3ag3 s VAL 17 CO 0.19 -0.07 0.22 -1.81 -0.31 0.00 0.00 175.10 173.31 3ag3 s ASP 18 N -0.25 5.79 -0.14 4.85 -0.00 -1.26 -4.65 116.67 121.00 3ag3 s ASP 18 Ca -0.04 -0.93 -0.07 0.00 -0.00 0.00 0.00 52.55 51.50 3ag3 s ASP 18 Cb -0.03 -2.05 0.05 0.00 -0.00 0.00 0.00 42.92 40.89 3ag3 s ASP 18 CO 0.02 -0.38 0.34 -0.13 -0.00 0.00 0.00 175.17 175.01 3ag3 s ARG 19 N 1.58 0.31 0.33 8.23 0.52 -1.26 -5.05 118.95 123.60 3ag3 s ARG 19 Ca 0.03 0.67 0.02 0.00 -0.52 0.00 0.00 55.73 55.93 3ag3 s ARG 19 Cb -0.19 -0.07 0.59 0.00 0.52 0.00 0.00 34.95 35.80 3ag3 s ARG 19 CO 0.07 -0.16 1.95 0.00 0.02 0.00 0.00 175.30 177.18 3ag3 h ARG 20 N 7.17 0.92 -0.17 3.54 3.08 -1.98 -1.40 114.38 125.54 3ag3 h ARG 20 Ca -0.38 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3ag3 h ARG 20 Cb 1.17 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3ag3 h ARG 20 CO 0.33 0.61 0.00 -0.40 -1.07 0.00 0.00 179.97 179.44 3ag3 n ASP 21 N -4.46 0.98 -2.95 7.04 5.75 -1.26 -3.94 116.55 117.71 3ag3 n ASP 21 Ca 0.11 -1.90 -0.15 0.00 -0.01 0.00 0.00 54.79 52.84 3ag3 n ASP 21 Cb 0.15 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3ag3 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ag3 n TYR 22 N -0.00 -1.86 0.23 2.11 9.36 -0.53 -5.02 117.16 121.45 3ag3 n TYR 22 Ca 0.08 -2.66 0.07 0.00 3.32 0.00 0.00 57.90 58.71 3ag3 n TYR 22 Cb 0.17 0.69 0.57 0.00 -0.63 0.00 0.00 39.34 40.14 3ag3 n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3ag3 h PRO 23 N 3.75 0.00 -3.46 2.98 0.13 -1.68 -3.35 132.00 130.37 3ag3 h PRO 23 Ca -0.04 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.41 3ag3 h PRO 23 Cb 0.98 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.74 3ag3 h PRO 23 CO 0.37 0.17 -0.41 -0.51 -0.23 0.00 0.00 178.00 177.39 3ag3 s LEU 24 N -8.23 5.03 1.08 1.56 1.43 -1.26 -4.97 118.68 113.33 3ag3 s LEU 24 Ca -0.04 -3.06 -0.12 0.00 -1.03 0.00 0.00 54.13 49.88 3ag3 s LEU 24 Cb 0.15 -1.80 0.24 0.00 0.03 0.00 0.00 46.19 44.81 3ag3 s LEU 24 CO 0.66 -0.30 1.06 -2.84 0.23 0.00 0.00 176.35 175.17 3ag3 s PRO 25 N -0.37 -0.28 0.51 1.29 0.02 -1.26 -4.92 135.00 130.00 3ag3 s PRO 25 Ca 0.19 1.00 0.30 0.00 0.02 0.00 0.00 61.00 62.51 3ag3 s PRO 25 Cb -0.19 -1.62 1.18 0.00 0.02 0.00 0.00 34.50 33.89 3ag3 s PRO 25 CO -0.04 -3.34 1.92 -0.44 -0.33 0.00 0.00 177.00 174.76 3ag3 h ASP 26 N -2.36 0.00 -5.21 2.53 3.32 -1.94 -3.45 116.42 109.32 3ag3 h ASP 26 Ca -0.56 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.34 3ag3 h ASP 26 Cb 1.31 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.71 3ag3 h ASP 26 CO 0.49 0.06 -0.67 0.68 -1.72 0.00 0.00 179.24 178.07 3ag3 s VAL 27 N -3.64 0.24 0.47 -1.35 -7.23 -1.26 -4.96 120.40 102.68 3ag3 s VAL 27 Ca 0.01 -1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 58.14 3ag3 s VAL 27 Cb 0.09 -1.65 -0.09 0.00 0.56 0.00 0.00 36.38 35.29 3ag3 s VAL 27 CO 0.58 -0.87 0.99 0.00 -0.31 0.00 0.00 175.10 175.49 3ag3 s ALA 28 N -3.92 2.96 0.15 1.32 0.00 -1.26 -4.73 121.76 116.29 3ag3 s ALA 28 Ca 0.11 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 3ag3 s ALA 28 Cb 0.08 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 20.04 3ag3 s ALA 28 CO -0.07 -0.13 1.74 1.25 0.00 0.00 0.00 175.76 178.55 3ag3 h HIS 29 N 1.59 0.69 -3.62 0.00 2.76 -0.74 -3.39 115.15 112.44 3ag3 h HIS 29 Ca -0.49 -0.03 -0.68 0.00 -2.20 0.00 0.00 60.37 56.97 3ag3 h HIS 29 Cb 1.20 -0.22 -0.25 0.00 1.55 0.00 0.00 27.41 29.69 3ag3 h HIS 29 CO 0.60 0.54 -0.59 0.08 -1.30 0.00 0.00 177.93 177.27 3ag3 s VAL 30 N -5.73 4.21 -0.17 5.26 1.01 0.79 -3.59 120.40 122.18 3ag3 s VAL 30 Ca -0.13 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3ag3 s VAL 30 Cb 0.11 -3.21 -0.22 0.00 0.00 0.00 0.00 36.38 33.06 3ag3 s VAL 30 CO 0.76 0.01 0.16 1.17 0.00 0.00 0.00 175.10 177.20 3ag3 n LYS 31 N 4.91 0.69 -3.44 2.72 4.81 -1.26 -4.77 118.16 121.82 3ag3 n LYS 31 Ca -0.14 0.19 -0.43 0.00 -0.87 0.00 0.00 58.31 57.06 3ag3 n LYS 31 Cb 0.48 -1.63 -0.08 0.00 0.02 0.00 0.00 35.03 33.81 3ag3 n LYS 31 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3ag3 s ASN 32 N -6.47 6.04 0.04 3.14 0.02 -1.26 -5.04 114.94 111.41 3ag3 s ASN 32 Ca -0.22 -1.28 -0.21 0.00 -1.02 0.00 0.00 52.86 50.13 3ag3 s ASN 32 Cb 0.08 -2.14 -0.06 0.00 0.02 0.00 0.00 41.25 39.15 3ag3 s ASN 32 CO 0.73 -0.59 0.62 -0.76 0.02 0.00 0.00 177.10 177.13 3ag3 s LEU 33 N 1.61 4.47 0.87 0.60 1.43 -1.26 -5.03 118.68 121.36 3ag3 s LEU 33 Ca 0.04 1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 54.30 3ag3 s LEU 33 Cb -0.23 -2.99 0.12 0.00 0.03 0.00 0.00 46.19 43.12 3ag3 s LEU 33 CO 0.06 0.16 1.17 -0.94 0.23 0.00 0.00 176.35 177.03 3ag3 s SER 34 N -0.55 3.24 0.00 2.29 1.04 -1.26 -4.80 113.70 113.65 3ag3 s SER 34 Ca 0.32 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.00 3ag3 s SER 34 Cb -0.19 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.35 3ag3 s SER 34 CO 0.19 -2.90 0.13 0.00 0.98 0.00 0.00 173.24 171.65 3ag3 n ALA 35 N -3.83 0.00 0.17 5.32 0.00 -1.26 -1.30 120.51 119.61 3ag3 n ALA 35 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.59 3ag3 n ALA 35 Cb 0.51 0.07 0.28 0.00 0.00 0.00 0.00 19.45 20.31 3ag3 n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ag3 h SER 36 N 0.00 0.00 -0.01 0.00 4.64 -1.99 -2.77 113.55 113.42 3ag3 h SER 36 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3ag3 h SER 36 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ag3 h SER 36 CO 0.00 0.47 -0.09 1.56 -0.87 0.00 0.00 176.83 177.89 3ag3 h GLN 37 N 0.00 -0.15 0.00 4.77 4.20 -1.77 0.11 115.11 122.26 3ag3 h GLN 37 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3ag3 h GLN 37 Cb 0.95 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 3ag3 h GLN 37 CO 0.06 -0.10 -0.11 0.87 -0.67 0.00 0.00 178.83 178.89 3ag3 h LYS 38 N -0.15 0.00 0.43 1.46 1.57 -1.07 -1.04 116.57 117.76 3ag3 h LYS 38 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3ag3 h LYS 38 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3ag3 h LYS 38 CO -0.10 0.11 -0.20 0.00 -0.57 0.00 0.00 179.45 178.68 3ag3 h ALA 39 N 1.89 -0.57 -0.86 3.86 0.00 -1.13 -0.42 119.26 122.04 3ag3 h ALA 39 Ca -0.00 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.90 3ag3 h ALA 39 Cb 0.28 0.22 -0.16 0.00 0.00 0.00 0.00 17.79 18.13 3ag3 h ALA 39 CO 0.01 -0.70 -0.24 1.25 0.00 0.00 0.00 179.25 179.57 3ag3 h LEU 40 N -0.81 -0.89 -1.38 0.00 5.85 -0.31 0.56 115.31 118.33 3ag3 h LEU 40 Ca -0.06 0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3ag3 h LEU 40 Cb 0.55 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3ag3 h LEU 40 CO 0.10 -0.29 -0.20 0.11 -0.34 0.00 0.00 178.44 177.82 3ag3 h LYS 41 N -0.01 0.16 -0.30 1.25 1.79 -1.04 -0.05 116.57 118.37 3ag3 h LYS 41 Ca 0.40 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.74 3ag3 h LYS 41 Cb 0.63 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 3ag3 h LYS 41 CO -0.89 0.36 -0.15 0.93 -1.08 0.00 0.00 179.45 178.63 3ag3 h GLU 42 N 0.15 0.64 -0.43 3.15 4.39 0.83 -2.86 114.58 120.45 3ag3 h GLU 42 Ca 0.03 -0.28 0.11 0.00 0.34 0.00 0.00 59.36 59.56 3ag3 h GLU 42 Cb 0.45 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3ag3 h GLU 42 CO 0.03 0.86 0.30 -0.22 -1.16 0.00 0.00 179.01 178.83 3ag3 h LYS 43 N 0.39 0.06 0.00 2.33 3.64 0.98 -1.37 116.57 122.62 3ag3 h LYS 43 Ca 0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ag3 h LYS 43 Cb 0.67 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3ag3 h LYS 43 CO 0.04 0.04 0.00 1.49 -2.27 0.00 0.00 179.45 178.76 3ag3 h GLU 44 N 0.07 0.00 0.00 1.90 4.81 -0.80 -1.08 114.58 119.47 3ag3 h GLU 44 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3ag3 h GLU 44 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3ag3 h GLU 44 CO -0.01 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.90 3ag3 n LYS 45 N -2.90 0.00 -2.82 1.92 5.02 -0.51 -4.80 118.16 114.07 3ag3 n LYS 45 Ca 0.01 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3ag3 n LYS 45 Cb 0.32 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.92 3ag3 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ag3 s ALA 46 N -3.00 4.22 0.33 7.82 0.00 -0.41 -5.03 121.76 125.69 3ag3 s ALA 46 Ca 0.11 -2.02 -0.29 0.00 0.00 0.00 0.00 51.96 49.76 3ag3 s ALA 46 Cb 0.15 -1.70 -0.12 0.00 0.00 0.00 0.00 23.12 21.45 3ag3 s ALA 46 CO 0.41 -1.26 1.35 0.45 0.00 0.00 0.00 175.76 176.72 3ag3 n SER 47 N -2.60 2.98 0.22 0.00 2.88 -1.26 -4.83 113.62 111.02 3ag3 n SER 47 Ca 0.17 1.20 0.14 0.00 -1.33 0.00 0.00 58.87 59.05 3ag3 n SER 47 Cb 0.61 -1.50 0.44 0.00 -0.75 0.00 0.00 64.21 63.01 3ag3 n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3ag3 h TRP 48 N 2.97 0.00 -0.01 0.66 6.55 -1.91 -2.92 115.95 121.28 3ag3 h TRP 48 Ca -0.47 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.38 3ag3 h TRP 48 Cb 1.27 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.57 3ag3 h TRP 48 CO 0.52 0.00 0.01 0.77 -1.05 0.00 0.00 178.44 178.69 3ag3 h SER 49 N 0.00 0.00 0.00 -3.49 0.02 -2.01 -2.24 113.55 105.83 3ag3 h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ag3 h SER 49 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3ag3 h SER 49 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 3ag3 n SER 50 N -4.49 0.00 -4.90 3.07 7.64 -1.10 -4.84 113.62 109.00 3ag3 n SER 50 Ca -0.03 -1.50 -0.34 0.00 1.01 0.00 0.00 58.87 58.01 3ag3 n SER 50 Cb 0.10 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 3ag3 n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ag3 s LEU 51 N -1.42 4.38 0.68 -3.43 1.02 -0.84 -5.07 118.68 113.99 3ag3 s LEU 51 Ca 0.19 0.39 -0.11 0.00 0.02 0.00 0.00 54.13 54.62 3ag3 s LEU 51 Cb 0.09 -2.50 -0.00 0.00 0.02 0.00 0.00 46.19 43.80 3ag3 s LEU 51 CO 0.15 0.29 1.07 -0.94 0.02 0.00 0.00 176.35 176.94 3ag3 s SER 52 N -1.71 5.67 0.30 2.29 1.04 -1.26 -4.87 113.70 115.16 3ag3 s SER 52 Ca 0.25 1.30 0.06 0.00 0.48 0.00 0.00 55.95 58.03 3ag3 s SER 52 Cb -0.13 -2.20 0.82 0.00 0.10 0.00 0.00 66.02 64.62 3ag3 s SER 52 CO 0.15 -1.22 1.66 0.40 0.98 0.00 0.00 173.24 175.22 3ag3 h ILE 53 N -0.56 0.34 -0.22 -1.02 1.08 -1.98 -1.42 117.51 113.72 3ag3 h ILE 53 Ca -0.45 -0.10 -0.16 0.00 -0.39 0.00 0.00 64.86 63.77 3ag3 h ILE 53 Cb 1.23 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 3ag3 h ILE 53 CO 0.62 0.05 -0.50 0.44 -0.69 0.00 0.00 178.15 178.07 3ag3 h ASP 54 N 0.28 0.66 -0.46 1.72 3.32 -2.00 -0.15 116.42 119.79 3ag3 h ASP 54 Ca 0.61 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3ag3 h ASP 54 Cb 1.26 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3ag3 h ASP 54 CO -0.62 1.05 0.04 -0.33 -1.72 0.00 0.00 179.24 177.66 3ag3 h GLU 55 N 0.47 0.79 0.00 3.56 5.08 -1.84 -1.70 114.58 120.95 3ag3 h GLU 55 Ca 0.02 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3ag3 h GLU 55 Cb 1.04 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 3ag3 h GLU 55 CO 0.10 0.83 -0.19 0.87 -1.00 0.00 0.00 179.01 179.61 3ag3 h LYS 56 N 0.65 -0.30 -0.89 2.33 1.57 -0.91 0.08 116.57 119.10 3ag3 h LYS 56 Ca 0.14 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.04 3ag3 h LYS 56 Cb 0.44 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 3ag3 h LYS 56 CO 0.02 -0.20 0.53 0.28 -0.57 0.00 0.00 179.45 179.51 3ag3 h VAL 57 N -0.31 0.92 -0.28 0.50 2.07 -0.97 0.10 116.25 118.27 3ag3 h VAL 57 Ca 0.06 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3ag3 h VAL 57 Cb 0.39 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3ag3 h VAL 57 CO -0.18 0.16 -0.31 -0.08 0.02 0.00 0.00 177.57 177.18 3ag3 h GLU 58 N 0.88 0.60 -0.30 1.57 4.81 -0.86 0.15 114.58 121.42 3ag3 h GLU 58 Ca 0.43 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3ag3 h GLU 58 Cb 0.40 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3ag3 h GLU 58 CO -0.25 0.83 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.63 3ag3 h LEU 59 N 0.51 0.67 -0.30 1.64 3.38 -0.22 -1.23 115.31 119.76 3ag3 h LEU 59 Ca 0.06 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.68 3ag3 h LEU 59 Cb 0.79 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 3ag3 h LEU 59 CO 0.06 0.94 -0.19 0.22 0.09 0.00 0.00 178.44 179.56 3ag3 h TYR 60 N 0.40 -0.49 0.00 1.13 3.20 -0.58 -2.40 116.97 118.23 3ag3 h TYR 60 Ca 0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ag3 h TYR 60 Cb 0.70 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3ag3 h TYR 60 CO 0.06 -0.27 0.00 0.54 -1.64 0.00 0.00 178.16 176.85 3ag3 n ARG 61 N -5.35 0.09 -0.05 1.82 5.12 0.48 -0.85 116.66 117.92 3ag3 n ARG 61 Ca 0.00 0.06 -0.15 0.00 -1.93 0.00 0.00 57.85 55.83 3ag3 n ARG 61 Cb 0.27 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.02 3ag3 n ARG 61 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3ag3 h LEU 62 N 0.00 0.93 0.20 0.55 3.38 -0.72 -3.35 115.31 116.30 3ag3 h LEU 62 Ca 0.00 -0.55 -0.34 0.00 0.09 0.00 0.00 57.88 57.09 3ag3 h LEU 62 Cb 0.38 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ag3 h LEU 62 CO 0.00 1.34 -1.60 0.50 0.09 0.00 0.00 178.44 178.77 3ag3 h LYS 63 N 0.60 0.42 -6.19 1.13 1.63 -1.22 0.23 116.57 113.17 3ag3 h LYS 63 Ca -0.01 -0.71 -0.56 0.00 -0.85 0.00 0.00 60.65 58.51 3ag3 h LYS 63 Cb 1.26 0.26 -0.22 0.00 -0.60 0.00 0.00 32.23 32.93 3ag3 h LYS 63 CO 0.14 1.32 -0.83 -0.06 -3.45 0.00 0.00 179.45 176.57 3ag3 s PHE 64 N -2.60 1.81 -0.00 1.91 0.40 -0.03 -0.71 117.98 118.76 3ag3 s PHE 64 Ca -0.12 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 3ag3 s PHE 64 Cb 0.05 -0.99 -0.00 0.00 0.51 0.00 0.00 43.02 42.59 3ag3 s PHE 64 CO 0.89 0.21 0.02 -0.22 0.70 0.00 0.00 175.22 176.81 3ag3 h LYS 65 N 4.08 -0.00 -5.87 0.44 3.64 -1.87 -3.38 116.57 113.62 3ag3 h LYS 65 Ca -0.46 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.26 3ag3 h LYS 65 Cb 1.18 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.92 3ag3 h LYS 65 CO 0.40 -0.00 -0.54 -1.21 -2.27 0.00 0.00 179.45 175.83 3ag3 s GLU 66 N -1.06 3.25 0.85 1.90 2.02 -1.26 -5.00 118.70 119.40 3ag3 s GLU 66 Ca -0.00 -0.36 -0.12 0.00 0.02 0.00 0.00 54.97 54.52 3ag3 s GLU 66 Cb 0.00 -2.99 0.10 0.00 0.10 0.00 0.00 34.13 31.34 3ag3 s GLU 66 CO 0.00 0.69 1.10 -1.54 0.02 0.00 0.00 175.26 175.52 3ag3 s SER 67 N -1.59 3.93 0.21 -0.19 1.04 -1.26 -4.79 113.70 111.05 3ag3 s SER 67 Ca 0.22 1.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.94 3ag3 s SER 67 Cb -0.12 -2.08 0.31 0.00 0.10 0.00 0.00 66.02 64.23 3ag3 s SER 67 CO 0.13 -2.33 1.71 -0.26 0.98 0.00 0.00 173.24 173.47 3ag3 h PHE 68 N -1.34 0.27 -0.40 5.02 -1.00 -1.99 0.22 116.94 117.72 3ag3 h PHE 68 Ca -0.48 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.33 3ag3 h PHE 68 Cb 1.28 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.79 3ag3 h PHE 68 CO 0.44 0.00 0.24 0.00 -1.61 0.00 0.00 178.31 177.38 3ag3 h ALA 69 N 1.48 1.67 0.07 2.45 0.00 -1.97 -0.61 119.26 122.35 3ag3 h ALA 69 Ca 0.33 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.92 3ag3 h ALA 69 Cb 0.47 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ag3 h ALA 69 CO -0.39 0.29 -1.07 0.93 0.00 0.00 0.00 179.25 179.01 3ag3 h GLU 70 N 0.55 0.61 0.00 0.00 5.08 -1.76 -3.08 114.58 115.97 3ag3 h GLU 70 Ca 0.14 -0.75 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 3ag3 h GLU 70 Cb -0.02 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ag3 h GLU 70 CO -0.03 1.32 -0.32 0.00 -1.00 0.00 0.00 179.01 178.98 3ag3 h MET 71 N 0.23 0.00 -0.11 2.33 -0.00 0.10 -1.98 114.93 115.50 3ag3 h MET 71 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 3ag3 h MET 71 Cb 1.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.35 3ag3 h MET 71 CO 0.21 0.32 0.00 0.09 -0.00 0.00 0.00 176.91 177.53 3ag3 n ASN 72 N -3.49 1.37 -4.77 -0.10 3.02 -0.30 -4.97 115.26 106.02 3ag3 n ASN 72 Ca -0.00 -1.61 -0.37 0.00 -0.03 0.00 0.00 54.58 52.57 3ag3 n ASN 72 Cb 0.48 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 3ag3 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ag3 s ARG 73 N -1.86 3.74 0.56 3.52 1.70 -0.75 -5.04 118.95 120.82 3ag3 s ARG 73 Ca 0.33 1.75 -0.04 0.00 -0.47 0.00 0.00 55.73 57.31 3ag3 s ARG 73 Cb 0.18 -2.38 0.12 0.00 -0.57 0.00 0.00 34.95 32.30 3ag3 s ARG 73 CO 0.27 -0.56 0.77 -1.13 -1.08 0.00 0.00 175.30 173.57 3ag3 n SER 74 N -0.54 0.66 -4.06 -2.89 3.41 -1.26 -5.10 113.62 103.83 3ag3 n SER 74 Ca 0.08 -1.64 -0.10 0.00 -0.26 0.00 0.00 58.87 56.94 3ag3 n SER 74 Cb 0.48 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 3ag3 n SER 74 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3ag3 s THR 75 N -2.39 0.04 -1.01 6.66 -4.23 -1.26 -5.04 115.64 108.40 3ag3 s THR 75 Ca 0.48 -1.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.47 3ag3 s THR 75 Cb -0.02 -2.14 0.49 0.00 1.34 0.00 0.00 72.50 72.16 3ag3 s THR 75 CO 0.33 -0.16 1.32 0.59 -0.54 0.00 0.00 174.62 176.15 3ag3 n ASN 76 N -0.26 3.54 -0.30 3.99 3.02 -1.26 -4.42 115.26 119.57 3ag3 n ASN 76 Ca -0.03 -2.40 0.15 0.00 -0.03 0.00 0.00 54.58 52.27 3ag3 n ASN 76 Cb 0.64 -0.52 0.40 0.00 -0.61 0.00 0.00 39.78 39.68 3ag3 n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3ag3 h GLU 77 N 2.63 0.62 -0.87 3.52 4.81 -2.01 -2.34 114.58 120.94 3ag3 h GLU 77 Ca 0.00 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3ag3 h GLU 77 Cb 1.18 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.35 3ag3 h GLU 77 CO 0.21 0.41 0.56 0.11 -0.73 0.00 0.00 179.01 179.58 3ag3 h TRP 78 N 0.64 0.88 -0.49 0.92 5.08 -2.00 0.96 115.95 121.95 3ag3 h TRP 78 Ca 0.51 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.51 3ag3 h TRP 78 Cb 0.94 -0.28 -0.02 0.00 -3.00 0.00 0.00 29.16 26.79 3ag3 h TRP 78 CO -0.00 0.38 0.31 0.87 -1.28 0.00 0.00 178.44 178.72 3ag3 h LYS 79 N 0.80 0.65 -0.41 0.12 1.57 -1.78 0.31 116.57 117.84 3ag3 h LYS 79 Ca 0.42 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 59.03 3ag3 h LYS 79 Cb 0.51 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3ag3 h LYS 79 CO -0.18 0.45 -0.20 1.15 -0.57 0.00 0.00 179.45 180.10 3ag3 h THR 80 N 0.66 1.28 0.15 -0.16 2.02 -1.06 -0.72 112.91 115.08 3ag3 h THR 80 Ca 0.18 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 3ag3 h THR 80 Cb -0.05 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3ag3 h THR 80 CO -0.04 0.45 -0.07 0.58 0.37 0.00 0.00 175.52 176.81 3ag3 h VAL 81 N 0.67 1.00 -0.68 3.16 2.07 -0.53 -0.40 116.25 121.53 3ag3 h VAL 81 Ca 0.09 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3ag3 h VAL 81 Cb 0.76 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3ag3 h VAL 81 CO 0.06 0.18 0.30 0.58 0.02 0.00 0.00 177.57 178.71 3ag3 h VAL 82 N -0.58 1.24 -0.33 2.57 2.07 -0.46 -1.12 116.25 119.64 3ag3 h VAL 82 Ca -0.02 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 3ag3 h VAL 82 Cb 0.45 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3ag3 h VAL 82 CO 0.03 0.29 -0.20 1.23 0.02 0.00 0.00 177.57 178.94 3ag3 h GLY 83 N 0.96 0.78 1.00 2.17 0.00 -1.10 -1.80 103.07 105.08 3ag3 h GLY 83 Ca 0.23 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3ag3 h GLY 83 CO -0.02 0.66 0.32 0.00 0.00 0.00 0.00 176.54 177.49 3ag3 h ALA 84 N 0.76 0.62 -0.76 3.60 0.00 -0.99 -0.90 119.26 121.58 3ag3 h ALA 84 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3ag3 h ALA 84 Cb 0.75 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 3ag3 h ALA 84 CO 0.06 0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.79 3ag3 h ALA 85 N 1.17 1.06 -0.11 0.00 0.00 -1.07 -0.71 119.26 119.60 3ag3 h ALA 85 Ca 0.18 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3ag3 h ALA 85 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ag3 h ALA 85 CO -0.04 0.03 -0.51 0.52 0.00 0.00 0.00 179.25 179.25 3ag3 h MET 86 N 0.69 0.29 -0.33 0.00 2.86 -1.04 0.21 114.93 117.62 3ag3 h MET 86 Ca 0.37 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.87 3ag3 h MET 86 Cb 0.35 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3ag3 h MET 86 CO -0.25 0.74 0.13 0.35 1.06 0.00 0.00 176.91 178.94 3ag3 h PHE 87 N 0.23 0.23 -0.56 -0.22 3.57 -0.63 0.13 116.94 119.69 3ag3 h PHE 87 Ca 0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3ag3 h PHE 87 Cb 0.98 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 3ag3 h PHE 87 CO 0.02 0.11 0.20 0.74 -2.23 0.00 0.00 178.31 177.15 3ag3 h PHE 88 N 0.28 0.82 -0.05 0.41 -1.00 -0.65 0.73 116.94 117.48 3ag3 h PHE 88 Ca 0.14 -0.05 -0.14 0.00 2.81 0.00 0.00 57.97 60.74 3ag3 h PHE 88 Cb 0.10 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 3ag3 h PHE 88 CO -0.13 0.65 -0.58 0.82 -1.61 0.00 0.00 178.31 177.47 3ag3 h ILE 89 N 0.80 1.39 -0.44 -0.55 2.04 -0.78 -0.82 117.51 119.16 3ag3 h ILE 89 Ca 0.19 -1.94 -0.13 0.00 1.00 0.00 0.00 64.86 63.98 3ag3 h ILE 89 Cb 0.19 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3ag3 h ILE 89 CO -0.01 0.57 -0.24 1.23 0.00 0.00 0.00 178.15 179.69 3ag3 h GLY 90 N 1.53 0.99 1.65 5.37 0.00 -0.38 -1.62 103.07 110.61 3ag3 h GLY 90 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 3ag3 h GLY 90 CO 0.09 0.80 0.11 -2.75 0.00 0.00 0.00 176.54 174.79 3ag3 h PHE 91 N 0.78 0.45 -0.46 5.60 3.57 -0.48 -0.85 116.94 125.56 3ag3 h PHE 91 Ca 0.10 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3ag3 h PHE 91 Cb 0.80 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3ag3 h PHE 91 CO 0.05 0.38 0.16 1.15 -2.23 0.00 0.00 178.31 177.82 3ag3 h THR 92 N 0.46 1.18 0.00 4.41 2.02 -0.16 -1.83 112.91 118.99 3ag3 h THR 92 Ca 0.11 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 3ag3 h THR 92 Cb 0.13 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3ag3 h THR 92 CO -0.01 0.23 -0.26 0.00 0.37 0.00 0.00 175.52 175.85 3ag3 h ALA 93 N 1.52 1.32 -0.78 6.16 0.00 -0.90 -0.26 119.26 126.33 3ag3 h ALA 93 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ag3 h ALA 93 Cb 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3ag3 h ALA 93 CO -0.01 0.32 0.41 -0.07 0.00 0.00 0.00 179.25 179.90 3ag3 h LEU 94 N 0.00 0.97 -0.37 0.00 3.38 -1.18 0.12 115.31 118.23 3ag3 h LEU 94 Ca -0.00 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3ag3 h LEU 94 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ag3 h LEU 94 CO 0.03 0.79 -0.11 -0.07 0.09 0.00 0.00 178.44 179.18 3ag3 h LEU 95 N 1.09 0.74 -1.16 1.67 3.38 -0.92 -0.53 115.31 119.58 3ag3 h LEU 95 Ca 0.27 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ag3 h LEU 95 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ag3 h LEU 95 CO -0.04 0.94 0.11 -0.07 0.09 0.00 0.00 178.44 179.47 3ag3 h LEU 96 N 0.53 0.65 -0.27 1.67 3.38 -0.85 0.05 115.31 120.47 3ag3 h LEU 96 Ca 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ag3 h LEU 96 Cb 0.63 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3ag3 h LEU 96 CO 0.04 0.65 0.12 0.40 0.09 0.00 0.00 178.44 179.74 3ag3 h ILE 97 N 0.68 1.16 -0.46 1.22 2.04 -0.39 -1.41 117.51 120.35 3ag3 h ILE 97 Ca 0.15 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.62 3ag3 h ILE 97 Cb 0.26 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3ag3 h ILE 97 CO -0.00 0.16 0.09 -0.25 0.00 0.00 0.00 178.15 178.15 3ag3 h TRP 98 N 0.30 0.14 -0.56 1.37 7.01 -0.83 -1.32 115.95 122.06 3ag3 h TRP 98 Ca 0.09 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 3ag3 h TRP 98 Cb 0.15 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 3ag3 h TRP 98 CO -0.01 -0.00 0.35 1.49 -2.79 0.00 0.00 178.44 177.47 3ag3 h GLU 99 N 0.22 0.75 -0.40 2.65 4.81 -0.81 0.25 114.58 122.05 3ag3 h GLU 99 Ca 0.23 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3ag3 h GLU 99 Cb 0.29 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3ag3 h GLU 99 CO -0.30 0.53 0.03 -0.22 -0.73 0.00 0.00 179.01 178.32 3ag3 h LYS 100 N 0.75 0.62 0.13 1.92 1.63 -0.86 0.11 116.57 120.88 3ag3 h LYS 100 Ca 0.20 -0.13 -0.24 0.00 -0.85 0.00 0.00 60.65 59.63 3ag3 h LYS 100 Cb -0.04 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3ag3 h LYS 100 CO -0.04 0.62 -1.15 1.25 -3.45 0.00 0.00 179.45 176.68 3ag3 h HIS 101 N 0.59 0.50 0.00 1.91 2.76 -0.27 -3.34 115.15 117.31 3ag3 h HIS 101 Ca 0.13 -0.36 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 3ag3 h HIS 101 Cb 0.33 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.27 3ag3 h HIS 101 CO 0.01 1.45 -1.78 0.66 -1.30 0.00 0.00 177.93 176.97 3ag3 n TYR 102 N -4.01 0.05 -0.07 5.26 4.01 0.80 -4.77 117.16 118.43 3ag3 n TYR 102 Ca -0.20 0.02 -0.15 0.00 -0.16 0.00 0.00 57.90 57.41 3ag3 n TYR 102 Cb 0.87 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 3ag3 n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ag3 n VAL 103 N -2.16 0.84 -2.44 -0.72 0.31 0.32 -5.00 118.33 109.48 3ag3 n VAL 103 Ca -0.02 -0.17 -0.41 0.00 -0.01 0.00 0.00 64.34 63.72 3ag3 n VAL 103 Cb 0.53 -1.72 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 3ag3 n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag3 s TYR 104 N -2.28 3.51 0.32 3.52 4.12 -0.79 -5.04 117.35 120.71 3ag3 s TYR 104 Ca -0.20 1.54 0.01 0.00 0.02 0.00 0.00 57.07 58.44 3ag3 s TYR 104 Cb 0.07 -3.35 0.06 0.00 -1.52 0.00 0.00 41.96 37.23 3ag3 s TYR 104 CO 0.25 -0.87 0.44 0.41 0.02 0.00 0.00 175.55 175.80 3ag3 n GLY 105 N 1.96 1.01 3.74 0.71 0.00 -1.26 -4.78 105.19 106.57 3ag3 n GLY 105 Ca 0.03 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3ag3 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ag3 s PRO 106 N -3.54 2.57 0.57 1.61 0.04 -1.26 -5.04 135.00 129.94 3ag3 s PRO 106 Ca 0.30 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 3ag3 s PRO 106 Cb -0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3ag3 s PRO 106 CO 0.20 -1.53 0.88 0.96 0.04 0.00 0.00 177.00 177.55 3ag3 s ILE 107 N -1.72 3.84 0.90 0.56 -4.36 -1.26 -5.04 121.20 114.12 3ag3 s ILE 107 Ca 0.77 0.02 -0.11 0.00 -0.26 0.00 0.00 60.65 61.07 3ag3 s ILE 107 Cb -0.31 -3.51 0.13 0.00 1.25 0.00 0.00 42.46 40.02 3ag3 s ILE 107 CO 0.39 -0.52 1.11 -2.65 0.24 0.00 0.00 174.94 173.52 3ag3 n PRO 108 N -2.52 -0.33 0.11 0.37 -0.02 -1.26 -4.85 135.00 126.49 3ag3 n PRO 108 Ca 0.04 -0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3ag3 n PRO 108 Cb 0.57 -2.36 0.45 0.00 -0.02 0.00 0.00 33.50 32.14 3ag3 n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3ag3 n HIS 109 N -4.04 0.60 0.51 6.00 1.44 -1.26 -2.32 115.22 116.14 3ag3 n HIS 109 Ca 0.12 0.26 0.07 0.00 -2.01 0.00 0.00 57.72 56.16 3ag3 n HIS 109 Cb 0.52 -0.92 0.32 0.00 0.12 0.00 0.00 29.99 30.03 3ag3 n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3ag3 n THR 110 N -2.07 0.97 1.28 0.61 -2.24 -1.26 -1.42 114.28 110.15 3ag3 n THR 110 Ca 0.01 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 3ag3 n THR 110 Cb 0.15 -0.99 0.38 0.00 -2.10 0.00 0.00 70.33 67.77 3ag3 n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ag3 n PHE 111 N -1.50 0.00 -1.71 4.78 3.01 -0.98 -4.20 117.46 116.86 3ag3 n PHE 111 Ca 0.04 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.11 3ag3 n PHE 111 Cb 0.17 -0.09 0.05 0.00 -0.01 0.00 0.00 39.48 39.60 3ag3 n PHE 111 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3ag3 n GLU 112 N -0.41 1.46 -0.31 -1.08 1.02 -0.51 -4.78 120.64 116.03 3ag3 n GLU 112 Ca 0.13 0.54 -0.02 0.00 -0.02 0.00 0.00 57.16 57.80 3ag3 n GLU 112 Cb 0.36 -2.47 0.11 0.00 -0.02 0.00 0.00 31.44 29.42 3ag3 n GLU 112 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3ag3 h GLU 113 N 1.16 1.01 -0.31 3.49 4.81 -1.92 0.63 114.58 123.46 3ag3 h GLU 113 Ca -0.50 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 58.51 3ag3 h GLU 113 Cb 1.32 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3ag3 h GLU 113 CO 0.55 0.67 -0.44 1.49 -0.73 0.00 0.00 179.01 180.55 3ag3 h GLU 114 N 1.04 0.79 -0.65 1.92 4.81 -1.95 -2.03 114.58 118.51 3ag3 h GLU 114 Ca 0.34 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3ag3 h GLU 114 Cb 0.02 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3ag3 h GLU 114 CO -0.12 1.07 0.34 2.35 -0.73 0.00 0.00 179.01 181.91 3ag3 h TRP 115 N 0.63 0.90 -0.39 0.92 2.91 -1.69 -1.06 115.95 118.17 3ag3 h TRP 115 Ca 0.04 -0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.93 3ag3 h TRP 115 Cb 1.01 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 3ag3 h TRP 115 CO 0.06 0.66 -0.15 0.28 -1.03 0.00 0.00 178.44 178.26 3ag3 h VAL 116 N 0.88 1.26 -0.36 2.65 2.07 -0.70 0.44 116.25 122.48 3ag3 h VAL 116 Ca 0.22 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3ag3 h VAL 116 Cb 0.07 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ag3 h VAL 116 CO -0.03 0.40 0.14 0.00 0.02 0.00 0.00 177.57 178.10 3ag3 h ALA 117 N 1.19 0.47 -0.18 1.67 0.00 -1.12 0.22 119.26 121.50 3ag3 h ALA 117 Ca 0.11 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3ag3 h ALA 117 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ag3 h ALA 117 CO 0.04 0.07 -0.45 0.87 0.00 0.00 0.00 179.25 179.78 3ag3 h LYS 118 N 0.44 0.46 -0.40 0.00 1.57 -0.78 -2.07 116.57 115.78 3ag3 h LYS 118 Ca 0.12 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 3ag3 h LYS 118 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ag3 h LYS 118 CO -0.01 0.82 -0.34 0.37 -0.57 0.00 0.00 179.45 179.72 3ag3 h GLN 119 N 0.37 0.92 -0.27 3.15 4.15 0.09 -1.30 115.11 122.22 3ag3 h GLN 119 Ca 0.02 -0.46 0.01 0.00 0.77 0.00 0.00 58.65 59.00 3ag3 h GLN 119 Cb 0.94 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 3ag3 h GLN 119 CO 0.08 1.11 0.14 1.15 -1.93 0.00 0.00 178.83 179.39 3ag3 h THR 120 N 0.76 1.01 0.16 2.39 2.02 -0.44 -0.20 112.91 118.61 3ag3 h THR 120 Ca 0.07 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3ag3 h THR 120 Cb 0.92 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3ag3 h THR 120 CO 0.09 0.05 -0.16 0.50 0.37 0.00 0.00 175.52 176.37 3ag3 h LYS 121 N 0.30 -0.34 -0.93 6.66 3.64 -1.26 0.31 116.57 124.94 3ag3 h LYS 121 Ca 0.11 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 3ag3 h LYS 121 Cb 0.02 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.81 3ag3 h LYS 121 CO -0.06 -0.23 0.53 -0.09 -2.27 0.00 0.00 179.45 177.33 3ag3 h ARG 122 N -0.35 0.71 -0.43 1.90 2.43 -1.11 0.42 114.38 117.95 3ag3 h ARG 122 Ca 0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3ag3 h ARG 122 Cb 0.34 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3ag3 h ARG 122 CO -0.04 0.47 -0.21 0.52 -1.51 0.00 0.00 179.97 179.20 3ag3 h MET 123 N 0.73 0.85 -0.11 0.20 2.86 -0.47 -0.09 114.93 118.90 3ag3 h MET 123 Ca 0.52 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 3ag3 h MET 123 Cb 0.74 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3ag3 h MET 123 CO -0.36 0.98 -0.40 -0.07 1.06 0.00 0.00 176.91 178.12 3ag3 h LEU 124 N 0.74 0.25 -1.00 1.22 3.38 -0.14 -0.50 115.31 119.26 3ag3 h LEU 124 Ca 0.10 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3ag3 h LEU 124 Cb 0.74 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ag3 h LEU 124 CO 0.06 0.62 -0.40 0.44 0.09 0.00 0.00 178.44 179.25 3ag3 h ASP 125 N 0.20 0.21 -0.37 -0.43 3.45 0.67 -2.02 116.42 118.12 3ag3 h ASP 125 Ca 0.02 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.40 3ag3 h ASP 125 Cb 0.79 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 3ag3 h ASP 125 CO 0.06 0.59 0.00 1.15 -1.57 0.00 0.00 179.24 179.47 3ag3 n MET 126 N -4.04 2.07 -3.41 3.56 0.00 -0.12 -4.96 117.12 110.22 3ag3 n MET 126 Ca -0.01 -1.65 -0.17 0.00 0.00 0.00 0.00 57.70 55.87 3ag3 n MET 126 Cb 0.46 -1.41 0.09 0.00 0.00 0.00 0.00 33.22 32.37 3ag3 n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3ag3 n LYS 127 N 0.84 -6.19 -1.69 3.17 5.02 -0.37 -4.92 118.16 114.03 3ag3 n LYS 127 Ca 0.17 0.85 -0.45 0.00 -2.02 0.00 0.00 58.31 56.86 3ag3 n LYS 127 Cb 0.42 -5.86 -0.04 0.00 -0.02 0.00 0.00 35.03 29.53 3ag3 n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ag3 n VAL 128 N -4.04 0.01 -3.68 -0.18 0.31 -0.34 -3.45 118.33 106.96 3ag3 n VAL 128 Ca -0.27 -0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.80 3ag3 n VAL 128 Cb 0.67 -1.71 0.02 0.00 -0.91 0.00 0.00 33.84 31.91 3ag3 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag3 n ALA 129 N 3.68 -2.65 0.87 3.52 0.00 -1.26 0.26 120.51 124.93 3ag3 n ALA 129 Ca 0.17 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3ag3 n ALA 129 Cb 0.31 -2.27 0.41 0.00 0.00 0.00 0.00 19.45 17.90 3ag3 n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ag3 n PRO 130 N -3.38 0.09 -0.04 0.00 -0.04 -1.22 -0.36 135.00 130.05 3ag3 n PRO 130 Ca -0.16 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 3ag3 n PRO 130 Cb 0.61 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 3ag3 n PRO 130 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3ag3 n ILE 131 N -1.72 1.70 0.00 0.52 -0.00 -1.26 -3.62 119.36 114.97 3ag3 n ILE 131 Ca 0.06 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.36 3ag3 n ILE 131 Cb 0.37 -1.83 0.00 0.00 -0.00 0.00 0.00 39.64 38.18 3ag3 n ILE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3ag3 n GLN 132 N -3.80 0.00 0.03 0.38 6.02 -1.25 -4.82 117.38 113.94 3ag3 n GLN 132 Ca -0.33 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.50 3ag3 n GLN 132 Cb 0.93 -0.50 -0.14 0.00 1.02 0.00 0.00 30.24 31.55 3ag3 n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3ag3 h GLY 133 N 0.00 0.24 0.00 1.08 0.00 -1.84 -3.43 103.07 99.11 3ag3 h GLY 133 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3ag3 h GLY 133 CO 0.00 0.54 0.00 0.33 0.00 0.00 0.00 176.54 177.41 3ag3 n PHE 134 N -3.39 -0.45 0.26 5.60 7.35 0.52 -4.88 117.46 122.48 3ag3 n PHE 134 Ca -0.21 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.56 3ag3 n PHE 134 Cb 1.05 0.38 0.64 0.00 0.35 0.00 0.00 39.48 41.90 3ag3 n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3ag3 h SER 135 N 0.00 0.00 -0.93 -2.13 0.02 0.41 0.32 113.55 111.25 3ag3 h SER 135 Ca 0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 3ag3 h SER 135 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3ag3 h SER 135 CO 0.00 0.01 0.83 0.00 -1.14 0.00 0.00 176.83 176.53 3ag3 h ALA 136 N 1.99 2.79 -0.02 3.77 0.00 -1.58 0.29 119.26 126.49 3ag3 h ALA 136 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ag3 h ALA 136 Cb 0.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ag3 h ALA 136 CO 0.00 -1.31 -0.06 1.63 0.00 0.00 0.00 179.25 179.52 3ag3 n LYS 137 N -3.80 1.97 -4.21 0.00 5.02 0.10 -4.85 118.16 112.40 3ag3 n LYS 137 Ca 0.20 -1.51 -0.35 0.00 -2.02 0.00 0.00 58.31 54.63 3ag3 n LYS 137 Cb 1.14 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 34.59 3ag3 n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3ag3 s TRP 138 N -2.07 3.26 -0.48 2.13 -0.11 0.09 -0.85 118.94 120.91 3ag3 s TRP 138 Ca 0.30 0.22 -0.17 0.00 1.22 0.00 0.00 56.10 57.66 3ag3 s TRP 138 Cb 0.20 -1.88 0.06 0.00 -1.50 0.00 0.00 33.47 30.35 3ag3 s TRP 138 CO 0.34 0.45 0.51 0.34 -4.62 0.00 0.00 176.95 173.97 3ag3 s ASP 139 N -0.64 6.19 0.19 5.86 -1.08 0.75 -4.77 116.67 123.17 3ag3 s ASP 139 Ca 0.11 -1.04 0.26 0.00 -0.52 0.00 0.00 52.55 51.36 3ag3 s ASP 139 Cb -0.12 -2.24 0.87 0.00 -1.46 0.00 0.00 42.92 39.97 3ag3 s ASP 139 CO 0.02 -0.75 1.78 -1.22 0.52 0.00 0.00 175.17 175.52 3ag3 n TYR 140 N 5.71 0.81 -0.04 -5.34 4.01 -1.26 -1.02 117.16 120.03 3ag3 n TYR 140 Ca -0.09 0.25 -0.16 0.00 -0.16 0.00 0.00 57.90 57.74 3ag3 n TYR 140 Cb 0.45 -0.90 -0.13 0.00 -0.31 0.00 0.00 39.34 38.45 3ag3 n TYR 140 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3ag3 h ASP 141 N 0.00 0.13 -0.40 7.72 3.45 -1.95 -3.36 116.42 122.01 3ag3 h ASP 141 Ca 0.00 -0.98 0.00 0.00 0.43 0.00 0.00 57.03 56.48 3ag3 h ASP 141 Cb 0.67 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 3ag3 h ASP 141 CO 0.00 1.09 0.00 0.29 -1.57 0.00 0.00 179.24 179.05 3ag3 n LYS 142 N -4.49 2.11 -4.03 3.56 5.02 -1.20 -4.95 118.16 114.19 3ag3 n LYS 142 Ca -0.11 -1.71 -0.33 0.00 -2.02 0.00 0.00 58.31 54.14 3ag3 n LYS 142 Cb 0.56 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 3ag3 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ag3 n ASN 143 N 0.90 -1.76 -3.81 4.39 2.85 -0.19 -4.98 115.26 112.66 3ag3 n ASN 143 Ca 0.17 -1.15 -0.07 0.00 -0.11 0.00 0.00 54.58 53.42 3ag3 n ASN 143 Cb 0.43 -2.40 -0.02 0.00 1.24 0.00 0.00 39.78 39.03 3ag3 n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3ag3 s GLU 144 N -6.88 1.76 0.23 1.20 -1.05 -0.99 -5.01 118.70 107.96 3ag3 s GLU 144 Ca 0.20 -0.98 -0.31 0.00 -0.15 0.00 0.00 54.97 53.73 3ag3 s GLU 144 Cb -0.09 0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 34.09 3ag3 s GLU 144 CO 0.93 -0.81 1.51 -1.58 0.95 0.00 0.00 175.26 176.26 3ag3 s TRP 145 N -3.79 2.99 0.48 4.83 0.52 -1.26 -0.18 118.94 122.53 3ag3 s TRP 145 Ca 0.11 0.85 -0.22 0.00 0.02 0.00 0.00 56.10 56.86 3ag3 s TRP 145 Cb -0.06 -3.90 -0.09 0.00 -1.15 0.00 0.00 33.47 28.28 3ag3 s TRP 145 CO 0.07 -3.08 1.02 1.63 0.02 0.00 0.00 176.95 176.61 3ag3 n LYS 146 N 2.84 1.27 0.00 4.98 5.02 -0.03 -4.77 118.16 127.47 3ag3 n LYS 146 Ca 0.09 0.46 0.14 0.00 -2.02 0.00 0.00 58.31 56.99 3ag3 n LYS 146 Cb 0.39 -2.12 0.54 0.00 -0.02 0.00 0.00 35.03 33.82 3ag3 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51