#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s VAL 5 N 0.00 2.84 0.14 0.44 1.01 -1.26 -5.10 120.40 118.47 3ag1 s VAL 5 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 3ag1 s VAL 5 Cb 0.00 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 3ag1 s VAL 5 CO 0.00 0.09 0.98 -0.69 0.00 0.00 0.00 175.10 175.47 3ag1 s VAL 6 N 1.28 4.34 -0.01 2.92 1.01 -1.26 -5.08 120.40 123.60 3ag1 s VAL 6 Ca -0.02 2.02 0.04 0.00 0.00 0.00 0.00 61.98 64.01 3ag1 s VAL 6 Cb -0.18 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3ag1 s VAL 6 CO -0.04 0.35 -0.10 -0.54 0.00 0.00 0.00 175.10 174.77 3ag1 s LYS 7 N -0.28 2.49 0.33 2.72 1.02 -1.26 -5.04 119.74 119.72 3ag1 s LYS 7 Ca 0.46 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.73 3ag1 s LYS 7 Cb -0.25 -2.44 0.59 0.00 -0.52 0.00 0.00 37.83 35.22 3ag1 s LYS 7 CO 0.31 0.60 1.95 0.77 -0.92 0.00 0.00 175.35 178.07 3ag1 h SER 8 N 4.77 0.82 0.42 2.83 0.02 -2.04 -2.31 113.55 118.06 3ag1 h SER 8 Ca -0.48 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3ag1 h SER 8 Cb 1.16 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3ag1 h SER 8 CO 0.52 0.55 0.00 -1.84 -1.14 0.00 0.00 176.83 174.92 3ag1 n GLU 9 N -4.46 0.25 -0.39 3.45 0.00 -1.26 -2.17 120.64 116.06 3ag1 n GLU 9 Ca 0.11 0.10 0.04 0.00 0.00 0.00 0.00 57.16 57.41 3ag1 n GLU 9 Cb 0.15 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.28 3ag1 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ag1 n ASP 10 N -1.31 3.04 -0.26 -1.84 8.00 -0.87 -4.40 116.55 118.91 3ag1 n ASP 10 Ca 0.09 -2.36 0.20 0.00 0.71 0.00 0.00 54.79 53.43 3ag1 n ASP 10 Cb 0.17 -0.52 0.52 0.00 -0.02 0.00 0.00 41.12 41.27 3ag1 n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3ag1 h TYR 11 N 1.99 0.53 0.00 1.24 -0.00 -1.63 -0.83 116.97 118.27 3ag1 h TYR 11 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 3ag1 h TYR 11 Cb 1.07 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 37.65 3ag1 h TYR 11 CO 0.48 0.12 0.00 0.00 -0.00 0.00 0.00 178.16 178.76 3ag1 n ALA 12 N -2.52 2.56 -2.76 0.10 0.00 -1.26 -4.87 120.51 111.76 3ag1 n ALA 12 Ca 0.20 -0.18 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 3ag1 n ALA 12 Cb 0.75 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 3ag1 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag1 s LEU 13 N -2.07 3.66 0.48 0.00 1.43 -0.32 -5.07 118.68 116.78 3ag1 s LEU 13 Ca 0.42 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 3ag1 s LEU 13 Cb 0.20 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 3ag1 s LEU 13 CO 0.35 0.05 1.33 -2.65 0.23 0.00 0.00 176.35 175.66 3ag1 n PRO 14 N -0.46 1.90 -4.46 1.29 -0.02 -1.26 -5.02 135.00 126.97 3ag1 n PRO 14 Ca -0.08 0.69 -0.22 0.00 -2.02 0.00 0.00 63.50 61.86 3ag1 n PRO 14 Cb 0.56 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 3ag1 n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ag1 s SER 15 N -0.66 2.40 0.04 2.55 1.04 -1.26 -4.89 113.70 112.92 3ag1 s SER 15 Ca 0.65 -1.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.43 3ag1 s SER 15 Cb -0.46 0.03 -0.06 0.00 0.10 0.00 0.00 66.02 65.64 3ag1 s SER 15 CO 0.55 -0.67 0.65 -0.47 0.98 0.00 0.00 173.24 174.28 3ag1 s TYR 16 N -3.30 3.74 0.01 5.02 5.04 -1.26 -4.19 117.35 122.39 3ag1 s TYR 16 Ca 0.34 1.32 0.02 0.00 -2.44 0.00 0.00 57.07 56.31 3ag1 s TYR 16 Cb 0.08 -2.66 -0.01 0.00 0.35 0.00 0.00 41.96 39.72 3ag1 s TYR 16 CO 0.15 0.38 -0.07 0.14 -1.34 0.00 0.00 175.55 174.81 3ag1 s VAL 17 N -0.38 0.57 -0.46 3.14 -7.23 -1.26 -5.08 120.40 109.70 3ag1 s VAL 17 Ca 0.33 -0.48 -0.18 0.00 -1.81 0.00 0.00 61.98 59.84 3ag1 s VAL 17 Cb -0.19 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.28 3ag1 s VAL 17 CO 0.20 0.04 0.53 -1.81 -0.31 0.00 0.00 175.10 173.75 3ag1 s ASP 18 N -0.49 6.22 -0.01 4.85 -0.00 -1.26 -4.61 116.67 121.36 3ag1 s ASP 18 Ca 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 52.55 51.74 3ag1 s ASP 18 Cb -0.04 -2.26 0.02 0.00 -0.00 0.00 0.00 42.92 40.64 3ag1 s ASP 18 CO -0.00 -0.74 0.01 -0.13 -0.00 0.00 0.00 175.17 174.31 3ag1 s ARG 19 N 2.35 0.01 0.29 8.23 0.52 -1.26 -5.05 118.95 124.04 3ag1 s ARG 19 Ca 0.13 0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 3ag1 s ARG 19 Cb -0.18 -0.15 0.70 0.00 0.52 0.00 0.00 34.95 35.83 3ag1 s ARG 19 CO 0.13 -0.08 1.71 0.00 0.02 0.00 0.00 175.30 177.08 3ag1 h ARG 20 N 6.73 0.45 -0.10 3.54 3.08 -1.97 -0.53 114.38 125.58 3ag1 h ARG 20 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3ag1 h ARG 20 Cb 1.16 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3ag1 h ARG 20 CO 0.49 0.30 0.00 -0.40 -1.07 0.00 0.00 179.97 179.29 3ag1 n ASP 21 N -5.00 1.80 -3.18 7.04 5.75 -1.26 -4.17 116.55 117.53 3ag1 n ASP 21 Ca 0.21 -1.65 -0.21 0.00 -0.01 0.00 0.00 54.79 53.13 3ag1 n ASP 21 Cb 0.62 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.60 3ag1 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ag1 n TYR 22 N 0.40 0.55 -0.02 2.11 9.36 -0.21 -5.01 117.16 124.34 3ag1 n TYR 22 Ca 0.18 -3.77 0.09 0.00 3.32 0.00 0.00 57.90 57.72 3ag1 n TYR 22 Cb 0.38 -0.41 0.49 0.00 -0.63 0.00 0.00 39.34 39.17 3ag1 n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3ag1 h PRO 23 N 3.43 0.41 -4.03 2.98 0.13 -1.70 -3.34 132.00 129.88 3ag1 h PRO 23 Ca 0.10 -0.02 -0.72 0.00 -0.87 0.00 0.00 66.00 64.48 3ag1 h PRO 23 Cb 0.88 -0.09 -0.32 0.00 0.13 0.00 0.00 31.00 31.60 3ag1 h PRO 23 CO 0.54 0.27 -0.34 -0.51 -0.23 0.00 0.00 178.00 177.72 3ag1 s LEU 24 N -9.36 5.63 1.00 1.56 1.43 -1.26 -4.96 118.68 112.72 3ag1 s LEU 24 Ca -0.08 -2.35 -0.11 0.00 -1.03 0.00 0.00 54.13 50.56 3ag1 s LEU 24 Cb 0.19 -1.96 0.19 0.00 0.03 0.00 0.00 46.19 44.64 3ag1 s LEU 24 CO 0.73 -0.55 1.09 -2.84 0.23 0.00 0.00 176.35 175.02 3ag1 s PRO 25 N 0.69 0.40 0.38 1.29 0.02 -1.25 -4.95 135.00 131.58 3ag1 s PRO 25 Ca 0.11 1.11 0.20 0.00 0.02 0.00 0.00 61.00 62.44 3ag1 s PRO 25 Cb -0.21 -1.69 0.59 0.00 0.02 0.00 0.00 34.50 33.21 3ag1 s PRO 25 CO -0.03 -2.91 1.68 -0.44 -0.33 0.00 0.00 177.00 174.97 3ag1 h ASP 26 N -2.05 0.00 -4.52 2.53 3.32 -1.94 -3.45 116.42 110.31 3ag1 h ASP 26 Ca -0.51 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.27 3ag1 h ASP 26 Cb 1.29 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.68 3ag1 h ASP 26 CO 0.48 0.32 -0.72 0.68 -1.72 0.00 0.00 179.24 178.29 3ag1 s VAL 27 N -3.41 0.77 0.52 -1.35 -7.23 -1.26 -4.96 120.40 103.47 3ag1 s VAL 27 Ca 0.02 -1.70 -0.22 0.00 -1.81 0.00 0.00 61.98 58.27 3ag1 s VAL 27 Cb 0.09 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 3ag1 s VAL 27 CO 0.68 -0.68 1.32 0.00 -0.31 0.00 0.00 175.10 176.11 3ag1 s ALA 28 N -2.84 2.90 0.33 1.32 0.00 -1.26 -4.73 121.76 117.47 3ag1 s ALA 28 Ca 0.06 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.29 3ag1 s ALA 28 Cb -0.00 -3.53 0.58 0.00 0.00 0.00 0.00 23.12 20.18 3ag1 s ALA 28 CO -0.02 -1.18 1.97 1.25 0.00 0.00 0.00 175.76 177.78 3ag1 h HIS 29 N 1.69 0.90 -3.61 0.00 2.76 -0.79 -3.40 115.15 112.69 3ag1 h HIS 29 Ca -0.50 0.02 -0.67 0.00 -2.20 0.00 0.00 60.37 57.01 3ag1 h HIS 29 Cb 1.28 -0.30 -0.35 0.00 1.55 0.00 0.00 27.41 29.59 3ag1 h HIS 29 CO 0.48 0.54 -0.79 0.08 -1.30 0.00 0.00 177.93 176.94 3ag1 s VAL 30 N -5.80 2.40 -0.04 5.26 1.01 0.42 -2.53 120.40 121.11 3ag1 s VAL 30 Ca -0.11 -1.33 0.21 0.00 0.00 0.00 0.00 61.98 60.75 3ag1 s VAL 30 Cb 0.18 -2.29 -0.32 0.00 0.00 0.00 0.00 36.38 33.95 3ag1 s VAL 30 CO 0.78 0.13 0.46 2.29 0.00 0.00 0.00 175.10 178.76 3ag1 n LYS 31 N 4.54 0.62 -3.41 2.72 2.85 -1.26 -4.86 118.16 119.38 3ag1 n LYS 31 Ca -0.16 -0.19 -0.39 0.00 -1.05 0.00 0.00 58.31 56.53 3ag1 n LYS 31 Cb 0.45 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 3ag1 n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3ag1 s ASN 32 N -4.38 6.26 -0.24 -5.58 0.02 -1.26 -5.07 114.94 104.69 3ag1 s ASN 32 Ca -0.07 0.30 -0.13 0.00 -1.02 0.00 0.00 52.86 51.93 3ag1 s ASN 32 Cb 0.13 -2.21 -0.05 0.00 0.02 0.00 0.00 41.25 39.15 3ag1 s ASN 32 CO 0.87 -0.16 0.26 -0.76 0.02 0.00 0.00 177.10 177.33 3ag1 s LEU 33 N 1.95 4.10 0.99 0.60 1.43 -1.26 -5.04 118.68 121.45 3ag1 s LEU 33 Ca 0.15 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 3ag1 s LEU 33 Cb -0.16 -2.27 0.18 0.00 0.03 0.00 0.00 46.19 43.98 3ag1 s LEU 33 CO 0.10 -0.03 1.10 -0.94 0.23 0.00 0.00 176.35 176.80 3ag1 s SER 34 N 1.25 2.45 0.22 2.29 1.04 -1.26 -4.67 113.70 115.01 3ag1 s SER 34 Ca 0.12 1.84 -0.13 0.00 0.48 0.00 0.00 55.95 58.25 3ag1 s SER 34 Cb -0.15 -2.42 0.26 0.00 0.10 0.00 0.00 66.02 63.82 3ag1 s SER 34 CO 0.07 -3.34 1.61 0.00 0.98 0.00 0.00 173.24 172.57 3ag1 h ALA 35 N -2.03 0.41 -0.50 5.32 0.00 -1.99 0.31 119.26 120.78 3ag1 h ALA 35 Ca -0.50 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ag1 h ALA 35 Cb 1.29 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 3ag1 h ALA 35 CO 0.47 -0.44 0.17 0.77 0.00 0.00 0.00 179.25 180.22 3ag1 h SER 36 N -0.02 0.66 0.09 0.00 0.02 -2.00 -1.86 113.55 110.45 3ag1 h SER 36 Ca 0.33 -0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.99 3ag1 h SER 36 Cb 0.52 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3ag1 h SER 36 CO -0.72 0.62 -0.74 1.56 -1.14 0.00 0.00 176.83 176.42 3ag1 h GLN 37 N 0.71 0.56 -0.83 3.45 4.20 -1.74 -1.50 115.11 119.96 3ag1 h GLN 37 Ca 0.17 -0.45 0.04 0.00 0.06 0.00 0.00 58.65 58.46 3ag1 h GLN 37 Cb 0.19 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3ag1 h GLN 37 CO -0.01 1.08 0.53 0.87 -0.67 0.00 0.00 178.83 180.63 3ag1 h LYS 38 N 0.38 0.99 -0.28 1.46 1.57 -0.85 -1.24 116.57 118.61 3ag1 h LYS 38 Ca -0.04 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3ag1 h LYS 38 Cb 1.33 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3ag1 h LYS 38 CO 0.14 0.66 -0.23 0.00 -0.57 0.00 0.00 179.45 179.45 3ag1 h ALA 39 N 1.36 1.09 -0.81 3.86 0.00 -0.75 -1.50 119.26 122.51 3ag1 h ALA 39 Ca 0.34 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ag1 h ALA 39 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3ag1 h ALA 39 CO -0.12 0.56 0.54 1.25 0.00 0.00 0.00 179.25 181.47 3ag1 h LEU 40 N 0.47 0.93 -1.07 0.00 5.85 -0.98 -1.40 115.31 119.12 3ag1 h LEU 40 Ca 0.07 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3ag1 h LEU 40 Cb 0.65 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3ag1 h LEU 40 CO 0.05 0.68 -0.32 0.11 -0.34 0.00 0.00 178.44 178.61 3ag1 h LYS 41 N 1.10 0.25 -0.14 1.25 1.79 -0.86 -0.97 116.57 118.99 3ag1 h LYS 41 Ca 0.30 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3ag1 h LYS 41 Cb -0.12 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3ag1 h LYS 41 CO -0.06 0.55 0.08 0.93 -1.08 0.00 0.00 179.45 179.88 3ag1 h GLU 42 N 0.22 0.18 -0.42 3.15 4.39 -0.82 -2.84 114.58 118.45 3ag1 h GLU 42 Ca 0.03 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.79 3ag1 h GLU 42 Cb 0.68 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 3ag1 h GLU 42 CO 0.05 0.16 0.29 -0.22 -1.16 0.00 0.00 179.01 178.13 3ag1 h LYS 43 N 0.16 0.24 0.00 2.33 3.64 -0.87 -1.65 116.57 120.41 3ag1 h LYS 43 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ag1 h LYS 43 Cb 0.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3ag1 h LYS 43 CO -0.01 0.16 0.00 1.49 -2.27 0.00 0.00 179.45 178.82 3ag1 h GLU 44 N 0.24 0.00 0.00 1.90 4.81 -0.93 -1.60 114.58 119.00 3ag1 h GLU 44 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3ag1 h GLU 44 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3ag1 h GLU 44 CO -0.04 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.87 3ag1 n LYS 45 N -3.06 0.18 -1.02 1.92 5.02 -0.62 -4.76 118.16 115.82 3ag1 n LYS 45 Ca -0.00 0.31 -0.03 0.00 -2.02 0.00 0.00 58.31 56.58 3ag1 n LYS 45 Cb 0.26 -1.79 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 3ag1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ag1 n ALA 46 N -1.73 0.08 -1.86 7.82 0.00 -0.60 -5.03 120.51 119.19 3ag1 n ALA 46 Ca 0.04 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 3ag1 n ALA 46 Cb 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 3ag1 n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ag1 s SER 47 N -1.47 6.61 0.50 0.00 0.15 -1.26 -4.93 113.70 113.29 3ag1 s SER 47 Ca 0.08 2.72 0.28 0.00 0.70 0.00 0.00 55.95 59.73 3ag1 s SER 47 Cb -0.01 -2.63 0.87 0.00 -1.71 0.00 0.00 66.02 62.55 3ag1 s SER 47 CO 0.05 -0.73 1.80 -0.50 1.20 0.00 0.00 173.24 175.06 3ag1 h TRP 48 N 4.95 0.00 -0.11 3.44 6.55 -1.90 -1.92 115.95 126.96 3ag1 h TRP 48 Ca -0.46 0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.41 3ag1 h TRP 48 Cb 1.22 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.51 3ag1 h TRP 48 CO 0.60 0.01 0.11 0.77 -1.05 0.00 0.00 178.44 178.87 3ag1 h SER 49 N 0.00 0.00 1.01 -3.49 0.02 -2.00 -2.22 113.55 106.87 3ag1 h SER 49 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ag1 h SER 49 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3ag1 h SER 49 CO 0.00 0.00 0.00 0.28 -1.14 0.00 0.00 176.83 175.97 3ag1 h SER 50 N 0.00 0.00 -3.95 3.07 0.02 -1.73 -3.45 113.55 107.52 3ag1 h SER 50 Ca 0.05 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.54 3ag1 h SER 50 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3ag1 h SER 50 CO -0.00 0.00 0.35 -0.76 -1.14 0.00 0.00 176.83 175.28 3ag1 s LEU 51 N -4.72 4.20 0.93 5.07 1.02 -0.84 -5.08 118.68 119.27 3ag1 s LEU 51 Ca 0.06 1.80 -0.14 0.00 0.02 0.00 0.00 54.13 55.87 3ag1 s LEU 51 Cb 0.10 -4.20 0.19 0.00 0.02 0.00 0.00 46.19 42.31 3ag1 s LEU 51 CO 0.47 -0.18 1.28 -0.94 0.02 0.00 0.00 176.35 177.00 3ag1 s SER 52 N -1.80 3.25 0.13 2.29 1.04 -1.26 -4.90 113.70 112.44 3ag1 s SER 52 Ca 0.54 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.98 3ag1 s SER 52 Cb -0.16 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.72 3ag1 s SER 52 CO 0.20 -2.64 1.56 0.40 0.98 0.00 0.00 173.24 173.74 3ag1 h ILE 53 N -1.50 1.27 -0.73 -1.02 1.08 -1.98 -1.27 117.51 113.35 3ag1 h ILE 53 Ca -0.43 -1.07 -0.05 0.00 -0.39 0.00 0.00 64.86 62.91 3ag1 h ILE 53 Cb 1.24 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.11 3ag1 h ILE 53 CO 0.37 0.36 0.25 0.44 -0.69 0.00 0.00 178.15 178.88 3ag1 h ASP 54 N 0.55 1.05 0.01 1.72 3.45 -2.00 -0.40 116.42 120.82 3ag1 h ASP 54 Ca 0.11 -0.20 -0.09 0.00 0.43 0.00 0.00 57.03 57.28 3ag1 h ASP 54 Cb 0.52 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 3ag1 h ASP 54 CO 0.03 0.97 -0.27 -0.33 -1.57 0.00 0.00 179.24 178.06 3ag1 h GLU 55 N 1.08 0.40 -0.46 3.56 5.08 -1.89 -2.13 114.58 120.22 3ag1 h GLU 55 Ca 0.24 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3ag1 h GLU 55 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ag1 h GLU 55 CO -0.01 0.64 -0.23 0.87 -1.00 0.00 0.00 179.01 179.28 3ag1 h LYS 56 N 0.36 0.97 -0.72 2.33 1.57 -0.51 -1.42 116.57 119.15 3ag1 h LYS 56 Ca 0.05 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 3ag1 h LYS 56 Cb 0.67 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 3ag1 h LYS 56 CO 0.05 1.10 0.33 0.28 -0.57 0.00 0.00 179.45 180.64 3ag1 h VAL 57 N 0.82 1.24 -0.47 0.50 2.07 -0.98 -1.43 116.25 118.01 3ag1 h VAL 57 Ca 0.10 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 3ag1 h VAL 57 Cb 0.81 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3ag1 h VAL 57 CO 0.07 0.29 -0.20 -0.08 0.02 0.00 0.00 177.57 177.66 3ag1 h GLU 58 N 1.01 0.97 -0.79 1.57 4.81 -1.24 0.49 114.58 121.41 3ag1 h GLU 58 Ca 0.25 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3ag1 h GLU 58 Cb 0.14 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3ag1 h GLU 58 CO -0.03 1.08 0.50 -0.07 -0.73 0.00 0.00 179.01 179.77 3ag1 h LEU 59 N 0.82 0.92 -0.66 1.64 3.38 -0.87 -1.68 115.31 118.86 3ag1 h LEU 59 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ag1 h LEU 59 Cb 0.78 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3ag1 h LEU 59 CO 0.06 0.68 0.35 0.22 0.09 0.00 0.00 178.44 179.84 3ag1 h TYR 60 N 1.07 0.93 0.00 1.13 3.20 -0.16 -2.92 116.97 120.21 3ag1 h TYR 60 Ca 0.29 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3ag1 h TYR 60 Cb -0.09 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.88 3ag1 h TYR 60 CO 0.00 0.67 0.00 0.00 -1.64 0.00 0.00 178.16 177.20 3ag1 h ARG 61 N 0.91 0.00 -0.18 1.82 2.47 -0.59 -1.31 114.38 117.50 3ag1 h ARG 61 Ca 0.23 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.78 3ag1 h ARG 61 Cb 0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3ag1 h ARG 61 CO -0.03 0.00 -0.60 -0.07 0.56 0.00 0.00 179.97 179.82 3ag1 h LEU 62 N 0.00 0.70 0.15 3.04 3.38 -1.14 -3.37 115.31 118.06 3ag1 h LEU 62 Ca 0.00 -0.39 -0.30 0.00 0.09 0.00 0.00 57.88 57.27 3ag1 h LEU 62 Cb 0.76 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ag1 h LEU 62 CO 0.00 1.14 -1.45 0.50 0.09 0.00 0.00 178.44 178.71 3ag1 h LYS 63 N 0.46 0.31 -5.30 1.13 1.63 -1.28 0.12 116.57 113.64 3ag1 h LYS 63 Ca -0.00 -0.53 -0.39 0.00 -0.85 0.00 0.00 60.65 58.87 3ag1 h LYS 63 Cb 1.17 0.20 -0.19 0.00 -0.60 0.00 0.00 32.23 32.81 3ag1 h LYS 63 CO 0.12 1.21 -0.76 -0.06 -3.45 0.00 0.00 179.45 176.51 3ag1 s PHE 64 N -2.62 1.28 -0.13 1.91 0.40 -0.53 -0.67 117.98 117.61 3ag1 s PHE 64 Ca -0.08 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.58 3ag1 s PHE 64 Cb 0.06 -0.69 -0.04 0.00 0.51 0.00 0.00 43.02 42.87 3ag1 s PHE 64 CO 0.88 0.09 -0.23 1.17 0.70 0.00 0.00 175.22 177.83 3ag1 n LYS 65 N 0.72 0.41 -4.19 0.44 4.81 -1.26 -4.30 118.16 114.78 3ag1 n LYS 65 Ca -0.17 0.30 -0.31 0.00 -0.87 0.00 0.00 58.31 57.26 3ag1 n LYS 65 Cb 0.56 -1.37 -0.08 0.00 0.02 0.00 0.00 35.03 34.16 3ag1 n LYS 65 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3ag1 s GLU 66 N -2.34 2.60 0.84 1.64 2.02 -1.26 -5.01 118.70 117.20 3ag1 s GLU 66 Ca -0.19 -0.78 -0.12 0.00 0.02 0.00 0.00 54.97 53.90 3ag1 s GLU 66 Cb 0.03 -2.57 0.10 0.00 0.10 0.00 0.00 34.13 31.79 3ag1 s GLU 66 CO 0.28 0.56 1.17 -1.54 0.02 0.00 0.00 175.26 175.75 3ag1 s SER 67 N -2.06 4.22 0.18 -0.19 1.04 -1.26 -4.83 113.70 110.80 3ag1 s SER 67 Ca 0.24 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.36 3ag1 s SER 67 Cb -0.12 -1.33 0.12 0.00 0.10 0.00 0.00 66.02 64.80 3ag1 s SER 67 CO 0.16 -2.09 1.79 -0.26 0.98 0.00 0.00 173.24 173.82 3ag1 h PHE 68 N -1.18 0.48 -0.81 5.02 -1.00 -1.99 0.67 116.94 118.13 3ag1 h PHE 68 Ca -0.47 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.38 3ag1 h PHE 68 Cb 1.33 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.69 3ag1 h PHE 68 CO 0.29 0.25 0.50 0.00 -1.61 0.00 0.00 178.31 177.74 3ag1 h ALA 69 N 1.26 1.09 -0.31 2.45 0.00 -1.95 -1.31 119.26 120.48 3ag1 h ALA 69 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ag1 h ALA 69 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ag1 h ALA 69 CO -0.14 0.27 -0.15 0.93 0.00 0.00 0.00 179.25 180.15 3ag1 h GLU 70 N 0.94 0.66 0.00 0.00 5.08 -1.80 -2.84 114.58 116.63 3ag1 h GLU 70 Ca 0.34 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3ag1 h GLU 70 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3ag1 h GLU 70 CO -0.15 0.88 -0.24 0.00 -1.00 0.00 0.00 179.01 178.50 3ag1 h MET 71 N 0.42 0.00 -0.39 2.33 -0.00 -0.37 -2.81 114.93 114.11 3ag1 h MET 71 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 3ag1 h MET 71 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 3ag1 h MET 71 CO 0.05 0.24 0.00 0.09 -0.00 0.00 0.00 176.91 177.28 3ag1 n ASN 72 N -3.32 3.13 -4.76 -0.10 3.02 -0.54 -4.99 115.26 107.70 3ag1 n ASN 72 Ca 0.01 -1.95 -0.38 0.00 -0.03 0.00 0.00 54.58 52.23 3ag1 n ASN 72 Cb 0.48 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3ag1 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ag1 s ARG 73 N -1.49 3.70 0.50 3.52 1.70 -1.06 -5.00 118.95 120.82 3ag1 s ARG 73 Ca 0.38 2.04 -0.09 0.00 -0.47 0.00 0.00 55.73 57.60 3ag1 s ARG 73 Cb 0.22 -2.52 -0.05 0.00 -0.57 0.00 0.00 34.95 32.03 3ag1 s ARG 73 CO 0.30 -0.67 0.86 -1.54 -1.08 0.00 0.00 175.30 173.16 3ag1 s SER 74 N -1.00 6.36 0.42 -2.89 1.04 -1.26 -5.09 113.70 111.28 3ag1 s SER 74 Ca 0.63 1.15 0.01 0.00 0.48 0.00 0.00 55.95 58.22 3ag1 s SER 74 Cb -0.35 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.42 3ag1 s SER 74 CO 0.44 -0.60 0.04 0.35 0.98 0.00 0.00 173.24 174.45 3ag1 n THR 75 N -2.06 0.00 -0.70 2.02 -2.24 -1.26 -5.04 114.28 105.00 3ag1 n THR 75 Ca 0.03 -2.11 0.09 0.00 -2.27 0.00 0.00 64.05 59.78 3ag1 n THR 75 Cb 0.54 0.53 0.35 0.00 -2.10 0.00 0.00 70.33 69.66 3ag1 n THR 75 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag1 n ASN 76 N -1.37 4.84 -0.15 3.42 3.02 -1.26 -4.60 115.26 119.16 3ag1 n ASN 76 Ca -0.14 -2.59 0.01 0.00 -0.03 0.00 0.00 54.58 51.83 3ag1 n ASN 76 Cb 0.56 -0.58 0.29 0.00 -0.61 0.00 0.00 39.78 39.43 3ag1 n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3ag1 h GLU 77 N 3.76 0.86 -0.77 3.52 4.81 -2.01 -1.93 114.58 122.82 3ag1 h GLU 77 Ca 0.00 -0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.32 3ag1 h GLU 77 Cb 1.54 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 3ag1 h GLU 77 CO 0.28 0.59 0.51 0.11 -0.73 0.00 0.00 179.01 179.77 3ag1 h TRP 78 N 0.88 0.47 -0.21 0.92 5.08 -2.00 -1.47 115.95 119.63 3ag1 h TRP 78 Ca 0.23 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 60.18 3ag1 h TRP 78 Cb -0.07 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 25.94 3ag1 h TRP 78 CO 0.00 0.17 -0.02 0.87 -1.28 0.00 0.00 178.44 178.19 3ag1 h LYS 79 N 0.40 0.38 -0.46 0.12 1.57 -1.72 -1.22 116.57 115.65 3ag1 h LYS 79 Ca 0.38 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3ag1 h LYS 79 Cb 0.90 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3ag1 h LYS 79 CO -0.12 0.60 0.29 1.15 -0.57 0.00 0.00 179.45 180.80 3ag1 h THR 80 N 0.13 1.13 0.40 -0.16 2.02 -1.37 -0.55 112.91 114.51 3ag1 h THR 80 Ca 0.06 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3ag1 h THR 80 Cb 0.44 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3ag1 h THR 80 CO 0.01 0.12 -0.19 0.58 0.37 0.00 0.00 175.52 176.42 3ag1 h VAL 81 N 0.61 0.61 -0.65 3.16 2.07 -1.13 -0.21 116.25 120.71 3ag1 h VAL 81 Ca 0.17 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 3ag1 h VAL 81 Cb -0.05 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3ag1 h VAL 81 CO -0.03 0.02 0.18 0.58 0.02 0.00 0.00 177.57 178.33 3ag1 h VAL 82 N -0.59 1.25 -0.33 2.57 2.07 -1.24 -1.42 116.25 118.56 3ag1 h VAL 82 Ca -0.05 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3ag1 h VAL 82 Cb 0.44 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3ag1 h VAL 82 CO 0.09 0.34 0.08 1.23 0.02 0.00 0.00 177.57 179.33 3ag1 h GLY 83 N 1.05 0.56 1.43 2.17 0.00 -0.96 -1.93 103.07 105.40 3ag1 h GLY 83 Ca 0.21 -0.35 -0.23 0.00 0.00 0.00 0.00 47.33 46.96 3ag1 h GLY 83 CO -0.00 0.33 -0.93 0.00 0.00 0.00 0.00 176.54 175.93 3ag1 h ALA 84 N 0.92 0.33 -0.57 3.60 0.00 -0.81 -1.13 119.26 121.59 3ag1 h ALA 84 Ca 0.10 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.36 3ag1 h ALA 84 Cb 0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3ag1 h ALA 84 CO 0.00 0.77 0.33 0.00 0.00 0.00 0.00 179.25 180.35 3ag1 h ALA 85 N 0.66 0.74 -0.41 0.00 0.00 -1.22 -0.45 119.26 118.58 3ag1 h ALA 85 Ca -0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3ag1 h ALA 85 Cb 1.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3ag1 h ALA 85 CO 0.17 0.04 -0.24 0.52 0.00 0.00 0.00 179.25 179.74 3ag1 h MET 86 N 0.65 0.83 0.11 0.00 2.07 -1.14 -0.39 114.93 117.06 3ag1 h MET 86 Ca 0.24 -0.35 0.02 0.00 -2.07 0.00 0.00 59.70 57.54 3ag1 h MET 86 Cb 0.06 -0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 29.72 3ag1 h MET 86 CO -0.12 0.99 -0.33 0.35 1.07 0.00 0.00 176.91 178.86 3ag1 h PHE 87 N 0.72 -0.91 -0.03 -0.22 3.57 -0.81 0.73 116.94 119.99 3ag1 h PHE 87 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3ag1 h PHE 87 Cb 0.77 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3ag1 h PHE 87 CO 0.04 -0.44 -0.30 0.74 -2.23 0.00 0.00 178.31 176.13 3ag1 h PHE 88 N -0.55 0.06 -0.61 0.41 -1.00 -0.53 0.25 116.94 114.97 3ag1 h PHE 88 Ca 0.03 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 3ag1 h PHE 88 Cb 0.59 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 3ag1 h PHE 88 CO -0.30 0.35 0.03 0.82 -1.61 0.00 0.00 178.31 177.59 3ag1 h ILE 89 N 0.05 1.26 -0.33 -0.55 2.04 -0.94 -1.22 117.51 117.83 3ag1 h ILE 89 Ca 0.01 -1.12 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 3ag1 h ILE 89 Cb 0.55 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3ag1 h ILE 89 CO 0.04 0.41 -0.33 1.23 0.00 0.00 0.00 178.15 179.50 3ag1 h GLY 90 N 0.96 0.79 0.86 5.37 0.00 0.41 -2.05 103.07 109.40 3ag1 h GLY 90 Ca 0.18 -0.74 0.06 0.00 0.00 0.00 0.00 47.33 46.82 3ag1 h GLY 90 CO 0.03 0.67 0.60 -2.75 0.00 0.00 0.00 176.54 175.09 3ag1 h PHE 91 N 0.61 1.09 -0.74 5.60 3.57 -0.30 -0.70 116.94 126.06 3ag1 h PHE 91 Ca 0.07 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.68 3ag1 h PHE 91 Cb 0.85 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 3ag1 h PHE 91 CO 0.04 0.58 0.49 1.15 -2.23 0.00 0.00 178.31 178.34 3ag1 h THR 92 N 1.08 0.97 0.00 4.41 2.02 -0.48 -2.05 112.91 118.86 3ag1 h THR 92 Ca 0.39 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3ag1 h THR 92 Cb 0.15 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3ag1 h THR 92 CO -0.14 0.13 -0.14 0.00 0.37 0.00 0.00 175.52 175.74 3ag1 h ALA 93 N 1.61 1.73 -0.82 6.16 0.00 -1.04 0.28 119.26 127.18 3ag1 h ALA 93 Ca 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ag1 h ALA 93 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3ag1 h ALA 93 CO -0.12 0.17 0.46 -0.07 0.00 0.00 0.00 179.25 179.69 3ag1 h LEU 94 N 0.00 1.01 -0.71 0.00 3.38 -1.34 -0.64 115.31 117.01 3ag1 h LEU 94 Ca -0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3ag1 h LEU 94 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ag1 h LEU 94 CO 0.02 0.81 -0.24 -0.07 0.09 0.00 0.00 178.44 179.05 3ag1 h LEU 95 N 1.14 0.75 -0.74 1.67 3.38 -0.98 -1.35 115.31 119.18 3ag1 h LEU 95 Ca 0.29 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3ag1 h LEU 95 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3ag1 h LEU 95 CO -0.05 0.96 -0.09 -0.07 0.09 0.00 0.00 178.44 179.28 3ag1 h LEU 96 N 0.64 0.87 -0.10 1.67 3.38 -1.05 -0.79 115.31 119.93 3ag1 h LEU 96 Ca 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3ag1 h LEU 96 Cb 0.74 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ag1 h LEU 96 CO 0.06 0.98 0.04 0.40 0.09 0.00 0.00 178.44 180.00 3ag1 h ILE 97 N 0.79 1.15 -0.81 1.22 2.04 -0.97 -1.44 117.51 119.49 3ag1 h ILE 97 Ca 0.13 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3ag1 h ILE 97 Cb 0.60 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3ag1 h ILE 97 CO 0.04 0.13 0.51 -0.25 0.00 0.00 0.00 178.15 178.57 3ag1 h TRP 98 N -0.00 0.94 -0.49 1.37 7.01 -1.13 -1.25 115.95 122.39 3ag1 h TRP 98 Ca 0.03 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.96 3ag1 h TRP 98 Cb 0.17 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 3ag1 h TRP 98 CO -0.02 0.51 -0.08 1.49 -2.79 0.00 0.00 178.44 177.55 3ag1 h GLU 99 N 0.95 0.87 -0.21 2.65 4.81 -0.40 0.44 114.58 123.69 3ag1 h GLU 99 Ca 0.34 -0.29 -0.20 0.00 -0.13 0.00 0.00 59.36 59.09 3ag1 h GLU 99 Cb 0.10 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ag1 h GLU 99 CO -0.15 0.92 -0.64 -0.22 -0.73 0.00 0.00 179.01 178.19 3ag1 h LYS 100 N 0.79 0.77 0.01 1.92 1.63 -0.65 -1.11 116.57 119.94 3ag1 h LYS 100 Ca 0.14 -0.55 -0.24 0.00 -0.85 0.00 0.00 60.65 59.15 3ag1 h LYS 100 Cb 0.58 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.31 3ag1 h LYS 100 CO 0.04 1.17 -1.00 1.25 -3.45 0.00 0.00 179.45 177.46 3ag1 h HIS 101 N 0.57 0.74 0.00 1.91 2.76 -1.04 -3.34 115.15 116.75 3ag1 h HIS 101 Ca -0.01 -0.41 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 3ag1 h HIS 101 Cb 1.25 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3ag1 h HIS 101 CO 0.07 1.24 -0.38 0.66 -1.30 0.00 0.00 177.93 178.23 3ag1 n TYR 102 N -3.77 0.00 -0.03 5.26 4.01 0.13 -4.77 117.16 117.98 3ag1 n TYR 102 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.60 3ag1 n TYR 102 Cb 0.86 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.85 3ag1 n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ag1 n VAL 103 N -1.19 0.37 -2.72 -0.72 0.31 -0.47 -4.98 118.33 108.93 3ag1 n VAL 103 Ca 0.01 -0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 63.79 3ag1 n VAL 103 Cb 0.11 -0.97 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 3ag1 n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag1 s TYR 104 N -2.13 3.39 0.55 3.52 4.12 -0.93 -5.05 117.35 120.82 3ag1 s TYR 104 Ca -0.09 1.44 -0.09 0.00 0.02 0.00 0.00 57.07 58.35 3ag1 s TYR 104 Cb 0.03 -3.20 0.13 0.00 -1.52 0.00 0.00 41.96 37.40 3ag1 s TYR 104 CO 0.14 -0.38 0.57 0.41 0.02 0.00 0.00 175.55 176.30 3ag1 n GLY 105 N 3.33 -2.14 3.76 0.71 0.00 -1.26 -4.81 105.19 104.78 3ag1 n GLY 105 Ca 0.10 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 3ag1 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ag1 s PRO 106 N -4.26 3.32 0.69 1.61 0.04 -1.26 -5.03 135.00 130.10 3ag1 s PRO 106 Ca 0.35 1.88 -0.09 0.00 0.04 0.00 0.00 61.00 63.18 3ag1 s PRO 106 Cb -0.02 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.37 3ag1 s PRO 106 CO 0.26 -0.94 1.03 0.96 0.04 0.00 0.00 177.00 178.35 3ag1 s ILE 107 N -1.53 3.02 0.59 0.56 -4.36 -1.26 -5.01 121.20 113.22 3ag1 s ILE 107 Ca 0.71 0.09 -0.19 0.00 -0.26 0.00 0.00 60.65 61.00 3ag1 s ILE 107 Cb -0.31 -3.28 -0.05 0.00 1.25 0.00 0.00 42.46 40.06 3ag1 s ILE 107 CO 0.36 -0.34 0.98 -2.65 0.24 0.00 0.00 174.94 173.53 3ag1 n PRO 108 N -2.91 0.94 0.13 0.37 -0.02 -1.26 -4.86 135.00 127.39 3ag1 n PRO 108 Ca 0.07 0.36 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3ag1 n PRO 108 Cb 0.59 -2.17 0.48 0.00 -0.02 0.00 0.00 33.50 32.38 3ag1 n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3ag1 n HIS 109 N -1.65 0.63 0.69 6.00 1.44 -1.26 -2.19 115.22 118.88 3ag1 n HIS 109 Ca 0.13 0.31 0.07 0.00 -2.01 0.00 0.00 57.72 56.23 3ag1 n HIS 109 Cb 0.47 -0.99 0.37 0.00 0.12 0.00 0.00 29.99 29.96 3ag1 n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3ag1 n THR 110 N -2.13 0.63 1.01 0.61 -2.24 -1.26 -1.96 114.28 108.94 3ag1 n THR 110 Ca -0.00 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 3ag1 n THR 110 Cb 0.07 -0.90 0.26 0.00 -2.10 0.00 0.00 70.33 67.65 3ag1 n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ag1 n PHE 111 N -1.32 0.12 -1.78 4.78 3.01 -0.93 -4.32 117.46 117.02 3ag1 n PHE 111 Ca 0.07 -0.06 -0.39 0.00 1.01 0.00 0.00 57.45 58.08 3ag1 n PHE 111 Cb 0.13 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.63 3ag1 n PHE 111 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3ag1 s GLU 112 N -1.88 3.28 0.21 -1.08 2.02 -0.83 -4.81 118.70 115.61 3ag1 s GLU 112 Ca 0.33 2.28 -0.09 0.00 0.02 0.00 0.00 54.97 57.52 3ag1 s GLU 112 Cb 0.21 -2.36 0.31 0.00 0.10 0.00 0.00 34.13 32.39 3ag1 s GLU 112 CO 0.31 -1.10 1.73 1.49 0.02 0.00 0.00 175.26 177.71 3ag1 h GLU 113 N 1.67 0.34 -0.41 1.61 4.81 -1.92 -0.04 114.58 120.65 3ag1 h GLU 113 Ca -0.51 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 3ag1 h GLU 113 Cb 1.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3ag1 h GLU 113 CO 0.58 0.23 0.03 1.49 -0.73 0.00 0.00 179.01 180.61 3ag1 h GLU 114 N 0.35 0.70 -0.76 1.92 4.81 -1.97 -0.04 114.58 119.60 3ag1 h GLU 114 Ca 0.33 -0.21 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 3ag1 h GLU 114 Cb 0.45 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3ag1 h GLU 114 CO -0.36 0.77 0.42 2.35 -0.73 0.00 0.00 179.01 181.46 3ag1 h TRP 115 N 0.53 0.77 -0.60 0.92 2.91 -1.78 -1.23 115.95 117.47 3ag1 h TRP 115 Ca 0.12 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.08 3ag1 h TRP 115 Cb 0.43 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.83 3ag1 h TRP 115 CO 0.03 0.33 0.03 0.28 -1.03 0.00 0.00 178.44 178.09 3ag1 h VAL 116 N 0.74 1.26 -0.46 2.65 2.07 -0.62 -0.09 116.25 121.81 3ag1 h VAL 116 Ca 0.35 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3ag1 h VAL 116 Cb 0.29 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3ag1 h VAL 116 CO -0.22 0.40 0.04 0.00 0.02 0.00 0.00 177.57 177.80 3ag1 h ALA 117 N 0.99 1.20 -0.03 1.67 0.00 -0.71 0.11 119.26 122.50 3ag1 h ALA 117 Ca 0.17 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 3ag1 h ALA 117 Cb 0.51 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ag1 h ALA 117 CO 0.02 0.53 -0.80 0.87 0.00 0.00 0.00 179.25 179.87 3ag1 h LYS 118 N 0.70 0.61 -0.68 0.00 1.57 -0.75 -2.43 116.57 115.58 3ag1 h LYS 118 Ca 0.14 -0.61 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 3ag1 h LYS 118 Cb 0.38 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3ag1 h LYS 118 CO 0.01 1.22 0.27 0.37 -0.57 0.00 0.00 179.45 180.74 3ag1 h GLN 119 N 0.23 1.01 -0.44 3.15 4.15 -0.93 0.69 115.11 122.96 3ag1 h GLN 119 Ca -0.09 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 3ag1 h GLN 119 Cb 1.47 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 3ag1 h GLN 119 CO 0.16 0.82 0.11 1.15 -1.93 0.00 0.00 178.83 179.14 3ag1 h THR 120 N 0.99 1.23 -0.46 2.39 2.02 -0.69 0.66 112.91 119.05 3ag1 h THR 120 Ca 0.23 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.64 3ag1 h THR 120 Cb 0.20 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3ag1 h THR 120 CO -0.02 0.29 0.22 0.50 0.37 0.00 0.00 175.52 176.88 3ag1 h LYS 121 N 0.58 0.43 -0.55 6.66 3.11 -1.05 0.24 116.57 125.98 3ag1 h LYS 121 Ca 0.14 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.90 3ag1 h LYS 121 Cb 0.32 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 3ag1 h LYS 121 CO 0.00 0.28 0.12 -0.09 -2.81 0.00 0.00 179.45 176.96 3ag1 h ARG 122 N 0.44 0.85 -0.55 1.90 2.43 -0.57 0.21 114.38 119.08 3ag1 h ARG 122 Ca 0.20 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3ag1 h ARG 122 Cb 0.12 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3ag1 h ARG 122 CO -0.15 0.77 0.01 0.52 -1.51 0.00 0.00 179.97 179.61 3ag1 h MET 123 N 0.82 0.97 -0.60 0.20 2.86 -0.54 -0.67 114.93 117.96 3ag1 h MET 123 Ca 0.18 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3ag1 h MET 123 Cb 0.31 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3ag1 h MET 123 CO 0.00 0.97 0.27 -0.07 1.06 0.00 0.00 176.91 179.14 3ag1 h LEU 124 N 0.85 0.78 -0.93 1.22 3.38 -0.40 -1.23 115.31 118.97 3ag1 h LEU 124 Ca 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3ag1 h LEU 124 Cb 0.53 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3ag1 h LEU 124 CO 0.03 0.68 0.35 0.44 0.09 0.00 0.00 178.44 180.02 3ag1 h ASP 125 N 0.86 1.02 -0.15 -0.43 3.45 -0.20 -1.87 116.42 119.09 3ag1 h ASP 125 Ca 0.21 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3ag1 h ASP 125 Cb 0.12 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3ag1 h ASP 125 CO -0.02 0.88 0.00 1.15 -1.57 0.00 0.00 179.24 179.67 3ag1 n MET 126 N -4.30 1.73 -3.59 3.56 0.00 -0.29 -4.95 117.12 109.27 3ag1 n MET 126 Ca 0.07 -1.09 -0.20 0.00 0.00 0.00 0.00 57.70 56.49 3ag1 n MET 126 Cb 0.15 -1.40 0.06 0.00 0.00 0.00 0.00 33.22 32.03 3ag1 n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3ag1 n LYS 127 N 0.31 -5.74 -1.69 3.17 5.02 -0.70 -4.93 118.16 113.60 3ag1 n LYS 127 Ca 0.16 0.72 -0.44 0.00 -2.02 0.00 0.00 58.31 56.73 3ag1 n LYS 127 Cb 0.33 -5.50 -0.04 0.00 -0.02 0.00 0.00 35.03 29.81 3ag1 n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ag1 n VAL 128 N -4.25 0.27 -3.55 -0.18 0.31 -0.53 -3.41 118.33 106.99 3ag1 n VAL 128 Ca -0.28 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 63.77 3ag1 n VAL 128 Cb 0.67 -1.91 0.03 0.00 -0.91 0.00 0.00 33.84 31.72 3ag1 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag1 n ALA 129 N 5.03 -2.58 0.38 3.52 0.00 -1.26 -0.66 120.51 124.94 3ag1 n ALA 129 Ca 0.18 -0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3ag1 n ALA 129 Cb 0.33 -3.21 0.17 0.00 0.00 0.00 0.00 19.45 16.74 3ag1 n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ag1 h PRO 130 N -1.12 0.00 0.12 0.00 0.13 -1.91 -0.74 132.00 128.49 3ag1 h PRO 130 Ca -0.53 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.39 3ag1 h PRO 130 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 3ag1 h PRO 130 CO 0.42 0.00 -1.00 0.82 -0.23 0.00 0.00 178.00 178.01 3ag1 h ILE 131 N 0.00 1.35 0.00 -3.56 5.03 -1.91 -3.27 117.51 115.15 3ag1 h ILE 131 Ca 0.00 -2.48 0.00 0.00 -0.12 0.00 0.00 64.86 62.26 3ag1 h ILE 131 Cb 0.87 3.02 0.00 0.00 -3.03 0.00 0.00 36.82 37.68 3ag1 h ILE 131 CO 0.00 0.70 -0.05 0.00 -0.68 0.00 0.00 178.15 178.11 3ag1 n GLN 132 N -4.08 0.12 0.07 2.37 6.02 -1.25 -4.84 117.38 115.79 3ag1 n GLN 132 Ca -0.18 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.63 3ag1 n GLN 132 Cb 0.83 -0.53 -0.14 0.00 1.02 0.00 0.00 30.24 31.42 3ag1 n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3ag1 h GLY 133 N 0.00 0.35 0.00 1.08 0.00 -1.82 -3.43 103.07 99.24 3ag1 h GLY 133 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3ag1 h GLY 133 CO 0.00 0.77 0.00 0.33 0.00 0.00 0.00 176.54 177.64 3ag1 n PHE 134 N -3.50 -0.43 0.28 5.60 7.35 -0.31 -4.89 117.46 121.55 3ag1 n PHE 134 Ca -0.17 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.66 3ag1 n PHE 134 Cb 1.05 0.25 0.87 0.00 0.35 0.00 0.00 39.48 42.00 3ag1 n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3ag1 h SER 135 N 0.00 0.00 0.00 -2.13 0.02 -0.64 0.15 113.55 110.96 3ag1 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ag1 h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ag1 h SER 135 CO 0.00 0.00 0.03 0.00 -1.14 0.00 0.00 176.83 175.72 3ag1 h ALA 136 N 1.97 1.03 -0.19 3.77 0.00 -1.59 -1.38 119.26 122.86 3ag1 h ALA 136 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ag1 h ALA 136 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ag1 h ALA 136 CO -0.00 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.85 3ag1 n LYS 137 N -2.72 2.39 -4.49 0.00 5.02 0.54 -4.87 118.16 114.03 3ag1 n LYS 137 Ca -0.02 -2.06 -0.34 0.00 -2.02 0.00 0.00 58.31 53.86 3ag1 n LYS 137 Cb 0.09 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 3ag1 n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3ag1 s TRP 138 N -1.78 3.05 -0.51 2.13 -0.11 -0.52 -0.52 118.94 120.67 3ag1 s TRP 138 Ca 0.33 0.10 -0.19 0.00 1.22 0.00 0.00 56.10 57.56 3ag1 s TRP 138 Cb 0.21 -1.76 0.06 0.00 -1.50 0.00 0.00 33.47 30.49 3ag1 s TRP 138 CO 0.31 0.39 0.64 0.34 -4.62 0.00 0.00 176.95 174.01 3ag1 s ASP 139 N -0.81 6.22 0.41 5.86 -1.08 0.30 -4.79 116.67 122.78 3ag1 s ASP 139 Ca 0.12 -0.96 0.17 0.00 -0.52 0.00 0.00 52.55 51.37 3ag1 s ASP 139 Cb -0.11 -2.29 0.88 0.00 -1.46 0.00 0.00 42.92 39.94 3ag1 s ASP 139 CO 0.02 -0.92 1.87 1.88 0.52 0.00 0.00 175.17 178.54 3ag1 h TYR 140 N 9.02 0.00 0.03 -5.34 0.05 -1.93 -0.92 116.97 117.89 3ag1 h TYR 140 Ca -0.28 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 3ag1 h TYR 140 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3ag1 h TYR 140 CO 0.76 0.31 -0.01 -0.44 -1.05 0.00 0.00 178.16 177.73 3ag1 h ASP 141 N 0.00 -0.04 0.00 3.88 3.45 -1.95 -3.31 116.42 118.45 3ag1 h ASP 141 Ca -0.00 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.31 3ag1 h ASP 141 Cb 0.62 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 3ag1 h ASP 141 CO 0.04 0.53 0.00 0.29 -1.57 0.00 0.00 179.24 178.53 3ag1 n LYS 142 N -4.78 0.77 -4.11 3.56 5.02 -1.23 -4.91 118.16 112.48 3ag1 n LYS 142 Ca -0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 3ag1 n LYS 142 Cb 0.09 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3ag1 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ag1 n ASN 143 N -0.99 -0.42 -3.98 4.39 2.85 -0.36 -4.98 115.26 111.77 3ag1 n ASN 143 Ca 0.18 -1.09 -0.09 0.00 -0.11 0.00 0.00 54.58 53.47 3ag1 n ASN 143 Cb 0.08 -2.58 -0.06 0.00 1.24 0.00 0.00 39.78 38.47 3ag1 n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3ag1 s GLU 144 N -6.85 1.41 0.23 1.20 -1.05 -1.12 -5.00 118.70 107.52 3ag1 s GLU 144 Ca 0.13 -1.22 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 3ag1 s GLU 144 Cb -0.07 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 3ag1 s GLU 144 CO 0.93 -0.57 1.33 -1.58 0.95 0.00 0.00 175.26 176.32 3ag1 s TRP 145 N -4.00 3.19 0.21 4.83 0.52 -1.26 -0.54 118.94 121.89 3ag1 s TRP 145 Ca 0.21 1.22 -0.32 0.00 0.02 0.00 0.00 56.10 57.23 3ag1 s TRP 145 Cb 0.01 -3.65 -0.14 0.00 -1.15 0.00 0.00 33.47 28.54 3ag1 s TRP 145 CO 0.06 -2.01 1.45 1.63 0.02 0.00 0.00 176.95 178.09 3ag1 n LYS 146 N 2.26 2.01 0.00 4.98 5.02 0.32 -4.77 118.16 127.98 3ag1 n LYS 146 Ca 0.05 0.72 0.13 0.00 -2.02 0.00 0.00 58.31 57.19 3ag1 n LYS 146 Cb 0.42 -2.40 0.39 0.00 -0.02 0.00 0.00 35.03 33.42 3ag1 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51