#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 3.68 1.03 2.46 1.01 -1.26 -4.81 120.40 122.51 3ag1 s VAL 5 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 3ag1 s VAL 5 Cb 0.00 -4.62 0.21 0.00 0.00 0.00 0.00 36.38 31.97 3ag1 s VAL 5 CO 0.00 -1.50 1.09 -0.69 0.00 0.00 0.00 175.10 174.00 3ag1 s VAL 6 N 6.41 2.09 0.23 2.92 1.01 -1.26 -5.12 120.40 126.69 3ag1 s VAL 6 Ca 0.45 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.50 3ag1 s VAL 6 Cb -0.09 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3ag1 s VAL 6 CO 0.19 -0.04 0.12 0.29 0.00 0.00 0.00 175.10 175.66 3ag1 n LYS 7 N -4.53 0.53 -0.07 2.72 5.02 -1.26 -5.15 118.16 115.42 3ag1 n LYS 7 Ca 0.08 -2.08 -0.09 0.00 -2.02 0.00 0.00 58.31 54.20 3ag1 n LYS 7 Cb 0.53 1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 36.84 3ag1 n LYS 7 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3ag1 h SER 8 N 1.09 0.00 0.00 4.39 0.02 -2.04 -3.34 113.55 113.68 3ag1 h SER 8 Ca -0.17 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3ag1 h SER 8 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3ag1 h SER 8 CO 0.27 0.92 0.00 -1.84 -1.14 0.00 0.00 176.83 175.04 3ag1 n GLU 9 N -4.61 0.84 0.00 3.45 0.00 -1.26 -2.08 120.64 116.98 3ag1 n GLU 9 Ca -0.12 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.19 3ag1 n GLU 9 Cb 0.34 -1.41 0.74 0.00 0.00 0.00 0.00 31.44 31.11 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 0.10 0.62 0.16 -1.84 9.92 -1.25 -4.18 116.55 120.08 3ag1 n ASP 10 Ca 0.00 -1.10 0.15 0.00 -0.53 0.00 0.00 54.79 53.31 3ag1 n ASP 10 Cb 0.22 -0.01 0.74 0.00 -0.64 0.00 0.00 41.12 41.42 3ag1 n ASP 10 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 3ag1 h TYR 11 N 0.94 0.00 -0.00 1.24 -0.00 -1.65 -0.94 116.97 116.56 3ag1 h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3ag1 h TYR 11 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 3ag1 h TYR 11 CO 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 178.16 178.11 3ag1 n ALA 12 N -2.49 2.69 -2.84 0.10 0.00 -1.26 -4.92 120.51 111.79 3ag1 n ALA 12 Ca 0.03 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 3ag1 n ALA 12 Cb 0.34 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.28 3.91 0.30 0.00 1.43 -0.36 -5.06 118.68 116.62 3ag1 s LEU 13 Ca 0.35 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 3ag1 s LEU 13 Cb 0.21 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.84 3ag1 s LEU 13 CO 0.42 -0.00 1.48 -2.65 0.23 0.00 0.00 176.35 175.83 3ag1 n PRO 14 N -0.92 2.44 -4.48 1.29 -0.02 -1.26 -5.01 135.00 127.04 3ag1 n PRO 14 Ca -0.08 0.86 -0.23 0.00 -2.02 0.00 0.00 63.50 62.03 3ag1 n PRO 14 Cb 0.57 -2.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.19 2.66 -0.02 2.55 1.04 -1.26 -4.86 113.70 113.99 3ag1 s SER 15 Ca 0.61 -1.38 -0.17 0.00 0.48 0.00 0.00 55.95 55.50 3ag1 s SER 15 Cb -0.54 -0.14 -0.05 0.00 0.10 0.00 0.00 66.02 65.38 3ag1 s SER 15 CO 0.54 -0.58 0.47 -0.47 0.98 0.00 0.00 173.24 174.19 3ag1 s TYR 16 N -3.18 3.67 0.01 5.02 5.04 -1.26 -4.29 117.35 122.36 3ag1 s TYR 16 Ca 0.36 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 3ag1 s TYR 16 Cb 0.09 -2.43 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 3ag1 s TYR 16 CO 0.16 0.47 -0.02 0.14 -1.34 0.00 0.00 175.55 174.96 3ag1 s VAL 17 N -0.49 0.12 -0.52 3.14 -7.23 -1.26 -5.08 120.40 109.07 3ag1 s VAL 17 Ca 0.26 -0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 59.94 3ag1 s VAL 17 Cb -0.17 -0.15 0.08 0.00 0.56 0.00 0.00 36.38 36.70 3ag1 s VAL 17 CO 0.14 -0.13 0.55 -1.81 -0.31 0.00 0.00 175.10 173.54 3ag1 s ASP 18 N -0.46 6.19 -0.01 4.85 -0.00 -1.26 -4.62 116.67 121.35 3ag1 s ASP 18 Ca -0.04 -1.24 0.00 0.00 -0.00 0.00 0.00 52.55 51.27 3ag1 s ASP 18 Cb -0.03 -2.25 0.01 0.00 -0.00 0.00 0.00 42.92 40.65 3ag1 s ASP 18 CO -0.00 -0.85 -0.00 -0.13 -0.00 0.00 0.00 175.17 174.18 3ag1 s ARG 19 N 2.21 0.12 0.24 8.23 0.52 -1.26 -5.05 118.95 123.95 3ag1 s ARG 19 Ca 0.10 0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.27 3ag1 s ARG 19 Cb -0.23 -0.21 0.32 0.00 0.52 0.00 0.00 34.95 35.35 3ag1 s ARG 19 CO 0.08 -0.04 1.85 0.00 0.02 0.00 0.00 175.30 177.21 3ag1 h ARG 20 N 6.56 0.90 -0.17 3.54 3.08 -1.98 -1.89 114.38 124.42 3ag1 h ARG 20 Ca -0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3ag1 h ARG 20 Cb 1.17 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3ag1 h ARG 20 CO 0.50 0.60 0.00 -0.40 -1.07 0.00 0.00 179.97 179.60 3ag1 n ASP 21 N -4.64 1.11 -3.05 7.04 5.75 -1.26 -4.12 116.55 117.38 3ag1 n ASP 21 Ca 0.12 -1.82 -0.17 0.00 -0.01 0.00 0.00 54.79 52.90 3ag1 n ASP 21 Cb 0.18 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 0.04 -1.06 0.24 2.11 9.36 -0.72 -5.01 117.16 122.12 3ag1 n TYR 22 Ca 0.11 -3.13 0.08 0.00 3.32 0.00 0.00 57.90 58.27 3ag1 n TYR 22 Cb 0.20 0.23 0.59 0.00 -0.63 0.00 0.00 39.34 39.74 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 3.57 0.00 -3.39 2.98 0.13 -1.70 -3.35 132.00 130.23 3ag1 h PRO 23 Ca 0.02 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.47 3ag1 h PRO 23 Cb 0.96 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.72 3ag1 h PRO 23 CO 0.41 0.12 -0.35 -0.51 -0.23 0.00 0.00 178.00 177.43 3ag1 s LEU 24 N -8.50 5.15 1.06 1.56 1.43 -1.26 -4.98 118.68 113.14 3ag1 s LEU 24 Ca -0.04 -3.29 -0.13 0.00 -1.03 0.00 0.00 54.13 49.64 3ag1 s LEU 24 Cb 0.16 -1.81 0.19 0.00 0.03 0.00 0.00 46.19 44.76 3ag1 s LEU 24 CO 0.67 -0.25 0.87 -2.65 0.23 0.00 0.00 176.35 175.21 3ag1 n PRO 25 N 2.86 -1.46 0.23 1.29 -0.02 -1.26 -4.95 135.00 131.69 3ag1 n PRO 25 Ca 0.13 -0.38 0.10 0.00 -2.02 0.00 0.00 63.50 61.33 3ag1 n PRO 25 Cb 0.36 -2.14 0.50 0.00 -0.02 0.00 0.00 33.50 32.20 3ag1 n PRO 25 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ag1 h ASP 26 N -2.23 0.00 -4.66 2.55 3.32 -1.94 -3.44 116.42 110.02 3ag1 h ASP 26 Ca -0.52 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.28 3ag1 h ASP 26 Cb 1.31 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.69 3ag1 h ASP 26 CO 0.43 0.21 -0.71 0.68 -1.72 0.00 0.00 179.24 178.13 3ag1 s VAL 27 N -3.72 0.65 0.60 -1.35 -7.23 -1.26 -4.99 120.40 103.09 3ag1 s VAL 27 Ca 0.00 -1.64 -0.20 0.00 -1.81 0.00 0.00 61.98 58.33 3ag1 s VAL 27 Cb 0.11 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3ag1 s VAL 27 CO 0.63 -0.70 1.30 0.00 -0.31 0.00 0.00 175.10 176.02 3ag1 s ALA 28 N -2.83 2.59 0.29 1.32 0.00 -1.26 -4.71 121.76 117.16 3ag1 s ALA 28 Ca 0.04 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 3ag1 s ALA 28 Cb -0.00 -3.54 0.43 0.00 0.00 0.00 0.00 23.12 20.01 3ag1 s ALA 28 CO -0.03 -1.43 1.94 1.25 0.00 0.00 0.00 175.76 177.50 3ag1 h HIS 29 N 0.99 1.01 -3.57 0.00 2.76 -0.94 -3.40 115.15 112.01 3ag1 h HIS 29 Ca -0.51 0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 56.99 3ag1 h HIS 29 Cb 1.32 -0.33 -0.32 0.00 1.55 0.00 0.00 27.41 29.62 3ag1 h HIS 29 CO 0.44 0.67 -0.74 0.08 -1.30 0.00 0.00 177.93 177.08 3ag1 s VAL 30 N -5.80 2.83 -0.09 5.26 1.01 -0.58 -4.59 120.40 118.45 3ag1 s VAL 30 Ca -0.11 -1.12 0.17 0.00 0.00 0.00 0.00 61.98 60.92 3ag1 s VAL 30 Cb 0.17 -2.48 -0.26 0.00 0.00 0.00 0.00 36.38 33.81 3ag1 s VAL 30 CO 0.80 0.14 0.26 2.29 0.00 0.00 0.00 175.10 178.58 3ag1 n LYS 31 N 4.64 0.83 -3.16 2.72 2.85 -1.26 -4.84 118.16 119.94 3ag1 n LYS 31 Ca -0.16 -0.10 -0.45 0.00 -1.05 0.00 0.00 58.31 56.55 3ag1 n LYS 31 Cb 0.46 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.35 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 -4.59 6.19 -0.22 -5.58 -0.87 -1.26 -4.78 114.94 103.82 3ag1 s ASN 32 Ca -0.08 -1.47 -0.25 0.00 -1.57 0.00 0.00 52.86 49.49 3ag1 s ASN 32 Cb 0.09 -2.28 -0.01 0.00 -0.02 0.00 0.00 41.25 39.04 3ag1 s ASN 32 CO 0.75 -1.03 0.86 -0.76 -2.57 0.00 0.00 177.10 174.34 3ag1 s LEU 33 N 2.42 4.11 0.97 0.60 1.43 -1.26 -4.77 118.68 122.19 3ag1 s LEU 33 Ca 0.10 1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 3ag1 s LEU 33 Cb -0.25 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.75 3ag1 s LEU 33 CO 0.06 -0.51 0.23 -1.54 0.23 0.00 0.00 176.35 174.82 3ag1 n SER 34 N 5.85 -2.50 0.13 2.29 3.41 -1.26 -4.77 113.62 116.77 3ag1 n SER 34 Ca 0.06 0.26 -0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3ag1 n SER 34 Cb 0.48 -1.13 0.27 0.00 -0.26 0.00 0.00 64.21 63.57 3ag1 n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ag1 h ALA 35 N -1.56 1.21 -0.38 7.33 0.00 -2.00 -1.62 119.26 122.24 3ag1 h ALA 35 Ca -0.45 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 53.96 3ag1 h ALA 35 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3ag1 h ALA 35 CO 0.33 0.55 -0.25 0.66 0.00 0.00 0.00 179.25 180.55 3ag1 h SER 36 N 0.13 0.87 -0.26 0.00 4.64 -2.00 -2.73 113.55 114.21 3ag1 h SER 36 Ca 0.01 -0.43 0.04 0.00 -0.47 0.00 0.00 61.79 60.94 3ag1 h SER 36 Cb 0.76 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 3ag1 h SER 36 CO 0.06 1.11 0.03 1.56 -0.87 0.00 0.00 176.83 178.73 3ag1 h GLN 37 N 0.64 0.12 -0.74 4.77 4.20 -1.86 -1.62 115.11 120.63 3ag1 h GLN 37 Ca 0.08 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.86 3ag1 h GLN 37 Cb 0.82 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 3ag1 h GLN 37 CO 0.07 0.08 0.48 0.87 -0.67 0.00 0.00 178.83 179.66 3ag1 h LYS 38 N 0.13 0.68 -0.20 1.46 1.57 -1.27 -1.73 116.57 117.21 3ag1 h LYS 38 Ca 0.12 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3ag1 h LYS 38 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3ag1 h LYS 38 CO -0.17 0.45 -0.03 0.00 -0.57 0.00 0.00 179.45 179.13 3ag1 h ALA 39 N 1.62 0.27 -0.53 3.86 0.00 -1.17 -2.36 119.26 120.94 3ag1 h ALA 39 Ca 0.33 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3ag1 h ALA 39 Cb 0.37 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3ag1 h ALA 39 CO -0.12 0.02 0.12 1.25 0.00 0.00 0.00 179.25 180.53 3ag1 h LEU 40 N 0.10 0.03 -1.62 0.00 5.85 -0.71 0.31 115.31 119.27 3ag1 h LEU 40 Ca 0.05 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3ag1 h LEU 40 Cb 0.45 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3ag1 h LEU 40 CO 0.02 0.04 0.00 0.11 -0.34 0.00 0.00 178.44 178.27 3ag1 h LYS 41 N 0.26 0.00 0.15 1.25 1.79 -1.25 -1.09 116.57 117.69 3ag1 h LYS 41 Ca 0.27 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.49 3ag1 h LYS 41 Cb 0.36 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.04 3ag1 h LYS 41 CO -0.33 0.00 -1.05 0.93 -1.08 0.00 0.00 179.45 177.92 3ag1 h GLU 42 N 0.00 0.44 -0.43 3.15 4.39 -0.51 -3.25 114.58 118.37 3ag1 h GLU 42 Ca 0.00 -0.68 0.05 0.00 0.34 0.00 0.00 59.36 59.07 3ag1 h GLU 42 Cb 0.28 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3ag1 h GLU 42 CO 0.00 1.31 0.29 -0.22 -1.16 0.00 0.00 179.01 179.23 3ag1 h LYS 43 N -0.09 0.38 0.00 2.33 3.64 0.20 -2.54 116.57 120.49 3ag1 h LYS 43 Ca -0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3ag1 h LYS 43 Cb 1.80 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 3ag1 h LYS 43 CO 0.20 0.25 0.00 -1.91 -2.27 0.00 0.00 179.45 175.72 3ag1 n GLU 44 N -4.48 0.11 0.11 1.90 2.13 -0.71 -1.14 120.64 118.56 3ag1 n GLU 44 Ca 0.05 0.18 0.13 0.00 0.66 0.00 0.00 57.16 58.17 3ag1 n GLU 44 Cb 0.21 -1.50 0.31 0.00 0.27 0.00 0.00 31.44 30.73 3ag1 n GLU 44 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3ag1 h LYS 45 N 0.00 0.00 -7.09 5.31 1.57 -1.58 -3.46 116.57 111.32 3ag1 h LYS 45 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3ag1 h LYS 45 Cb 0.23 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.61 3ag1 h LYS 45 CO 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 179.45 178.98 3ag1 s ALA 46 N -3.14 3.62 0.18 3.86 0.00 -0.29 -5.02 121.76 120.97 3ag1 s ALA 46 Ca 0.09 -1.50 -0.33 0.00 0.00 0.00 0.00 51.96 50.23 3ag1 s ALA 46 Cb 0.12 -2.14 -0.15 0.00 0.00 0.00 0.00 23.12 20.95 3ag1 s ALA 46 CO 0.64 -1.29 1.27 0.45 0.00 0.00 0.00 175.76 176.82 3ag1 n SER 47 N -2.76 1.84 0.24 0.00 2.88 -1.26 -4.88 113.62 109.68 3ag1 n SER 47 Ca 0.12 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.94 3ag1 n SER 47 Cb 0.60 -1.28 0.37 0.00 -0.75 0.00 0.00 64.21 63.15 3ag1 n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3ag1 h TRP 48 N 3.85 0.00 -0.11 0.66 6.55 -1.92 -2.67 115.95 122.32 3ag1 h TRP 48 Ca -0.44 0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.43 3ag1 h TRP 48 Cb 1.32 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.62 3ag1 h TRP 48 CO 0.56 0.00 0.14 0.77 -1.05 0.00 0.00 178.44 178.86 3ag1 h SER 49 N 0.00 0.00 -0.04 -3.49 0.02 -2.01 -2.34 113.55 105.69 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 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3ag1 h SER 49 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 3ag1 n SER 50 N -3.66 0.46 -4.96 3.07 7.64 -1.00 -4.83 113.62 110.34 3ag1 n SER 50 Ca -0.00 -1.48 -0.23 0.00 1.01 0.00 0.00 58.87 58.17 3ag1 n SER 50 Cb 0.25 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 3ag1 n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ag1 s LEU 51 N -1.61 4.31 0.23 -3.43 1.02 -0.88 -5.10 118.68 113.22 3ag1 s LEU 51 Ca 0.30 0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.63 3ag1 s LEU 51 Cb 0.15 -2.90 -0.03 0.00 0.02 0.00 0.00 46.19 43.42 3ag1 s LEU 51 CO 0.24 -0.03 0.31 -0.94 0.02 0.00 0.00 176.35 175.95 3ag1 s SER 52 N -3.68 6.14 0.22 2.29 1.04 -1.26 -4.95 113.70 113.50 3ag1 s SER 52 Ca 0.35 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.72 3ag1 s SER 52 Cb -0.10 -1.76 0.36 0.00 0.10 0.00 0.00 66.02 64.61 3ag1 s SER 52 CO 0.29 -0.04 1.25 -0.38 0.98 0.00 0.00 173.24 175.34 3ag1 n ILE 53 N -1.22 -0.34 0.16 -1.02 2.08 -1.26 -0.28 119.36 117.47 3ag1 n ILE 53 Ca -0.09 1.84 0.02 0.00 0.56 0.00 0.00 62.75 65.09 3ag1 n ILE 53 Cb 0.57 -2.54 0.26 0.00 -0.75 0.00 0.00 39.64 37.18 3ag1 n ILE 53 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3ag1 h ASP 54 N 0.00 0.00 0.45 4.38 3.32 -1.99 -0.56 116.42 122.02 3ag1 h ASP 54 Ca 0.38 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.17 3ag1 h ASP 54 Cb 0.58 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 3ag1 h ASP 54 CO -0.83 0.49 -1.10 -0.33 -1.72 0.00 0.00 179.24 175.75 3ag1 h GLU 55 N 0.00 0.36 -0.17 3.56 5.08 -1.03 -1.82 114.58 120.56 3ag1 h GLU 55 Ca -0.00 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3ag1 h GLU 55 Cb 0.95 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3ag1 h GLU 55 CO 0.06 1.18 0.10 0.87 -1.00 0.00 0.00 179.01 180.22 3ag1 h LYS 56 N 0.16 0.23 -0.50 2.33 1.57 -0.63 -1.82 116.57 117.91 3ag1 h LYS 56 Ca -0.11 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3ag1 h LYS 56 Cb 1.78 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.02 3ag1 h LYS 56 CO 0.19 0.21 0.14 0.28 -0.57 0.00 0.00 179.45 179.69 3ag1 h VAL 57 N 0.19 1.21 -0.31 0.50 2.07 -1.09 -2.40 116.25 116.42 3ag1 h VAL 57 Ca 0.06 -0.73 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 3ag1 h VAL 57 Cb 0.04 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3ag1 h VAL 57 CO -0.01 0.27 -0.26 -0.08 0.02 0.00 0.00 177.57 177.51 3ag1 h GLU 58 N 0.73 0.61 -0.46 1.57 4.81 -1.20 -0.95 114.58 119.69 3ag1 h GLU 58 Ca 0.17 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 3ag1 h GLU 58 Cb 0.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3ag1 h GLU 58 CO -0.01 0.82 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.93 3ag1 h LEU 59 N 0.53 0.82 -0.30 1.64 3.38 -0.85 -1.80 115.31 118.73 3ag1 h LEU 59 Ca 0.07 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3ag1 h LEU 59 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3ag1 h LEU 59 CO 0.06 0.94 -0.06 0.22 0.09 0.00 0.00 178.44 179.68 3ag1 h TYR 60 N 0.75 0.63 0.00 1.13 3.20 -1.10 -2.79 116.97 118.79 3ag1 h TYR 60 Ca 0.13 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ag1 h TYR 60 Cb 0.58 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3ag1 h TYR 60 CO 0.03 0.75 0.00 0.00 -1.64 0.00 0.00 178.16 177.30 3ag1 h ARG 61 N 0.33 0.00 -0.30 1.82 2.47 -1.03 0.14 114.38 117.82 3ag1 h ARG 61 Ca 0.08 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 3ag1 h ARG 61 Cb 0.54 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 3ag1 h ARG 61 CO 0.03 0.00 -0.15 -0.07 0.56 0.00 0.00 179.97 180.33 3ag1 h LEU 62 N 0.00 0.66 0.04 3.04 3.38 -1.08 -3.35 115.31 118.01 3ag1 h LEU 62 Ca 0.00 -0.41 -0.26 0.00 0.09 0.00 0.00 57.88 57.29 3ag1 h LEU 62 Cb 0.51 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3ag1 h LEU 62 CO 0.00 0.92 -1.36 0.50 0.09 0.00 0.00 178.44 178.60 3ag1 h LYS 63 N 0.39 0.09 -4.96 1.13 1.63 -0.94 -1.52 116.57 112.39 3ag1 h LYS 63 Ca 0.07 -0.16 -0.45 0.00 -0.85 0.00 0.00 60.65 59.26 3ag1 h LYS 63 Cb 0.68 0.06 -0.29 0.00 -0.60 0.00 0.00 32.23 32.07 3ag1 h LYS 63 CO 0.05 0.92 -0.80 -0.06 -3.45 0.00 0.00 179.45 176.11 3ag1 s PHE 64 N -2.65 1.07 0.00 1.91 0.40 -0.10 -0.76 117.98 117.84 3ag1 s PHE 64 Ca -0.04 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 3ag1 s PHE 64 Cb 0.08 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.91 3ag1 s PHE 64 CO 0.83 -0.04 0.43 1.17 0.70 0.00 0.00 175.22 178.31 3ag1 n LYS 65 N 2.91 0.00 -4.04 0.44 4.81 -1.26 -4.37 118.16 116.64 3ag1 n LYS 65 Ca -0.15 0.42 -0.28 0.00 -0.87 0.00 0.00 58.31 57.43 3ag1 n LYS 65 Cb 0.55 -1.15 -0.05 0.00 0.02 0.00 0.00 35.03 34.40 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 -1.70 3.00 0.64 1.64 2.02 -1.26 -4.98 118.70 118.07 3ag1 s GLU 66 Ca 0.00 -0.74 -0.11 0.00 0.02 0.00 0.00 54.97 54.14 3ag1 s GLU 66 Cb 0.00 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3ag1 s GLU 66 CO 0.00 0.53 1.05 -1.54 0.02 0.00 0.00 175.26 175.31 3ag1 s SER 67 N -2.82 5.97 0.35 -0.19 1.04 -1.26 -4.83 113.70 111.96 3ag1 s SER 67 Ca 0.31 1.31 0.04 0.00 0.48 0.00 0.00 55.95 58.09 3ag1 s SER 67 Cb -0.11 -2.28 0.68 0.00 0.10 0.00 0.00 66.02 64.41 3ag1 s SER 67 CO 0.24 -1.02 1.96 -0.26 0.98 0.00 0.00 173.24 175.14 3ag1 h PHE 68 N -0.42 0.82 -0.38 5.02 -1.00 -1.99 0.50 116.94 119.49 3ag1 h PHE 68 Ca -0.44 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.21 3ag1 h PHE 68 Cb 1.21 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 3ag1 h PHE 68 CO 0.60 0.45 -0.36 0.00 -1.61 0.00 0.00 178.31 177.40 3ag1 h ALA 69 N 1.59 0.65 0.35 2.45 0.00 -1.96 -0.28 119.26 122.06 3ag1 h ALA 69 Ca 0.31 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ag1 h ALA 69 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ag1 h ALA 69 CO -0.10 0.67 -0.17 0.93 0.00 0.00 0.00 179.25 180.58 3ag1 h GLU 70 N 0.73 -0.46 -0.08 0.00 5.08 -1.78 -2.24 114.58 115.83 3ag1 h GLU 70 Ca 0.07 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3ag1 h GLU 70 Cb 0.93 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3ag1 h GLU 70 CO 0.09 -0.15 0.08 0.00 -1.00 0.00 0.00 179.01 178.02 3ag1 h MET 71 N -0.78 0.00 -0.05 2.33 -0.00 -0.02 -2.32 114.93 114.08 3ag1 h MET 71 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 3ag1 h MET 71 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 3ag1 h MET 71 CO 0.08 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 177.08 3ag1 n ASN 72 N -4.05 2.03 -4.75 -0.10 3.02 -0.12 -4.98 115.26 106.31 3ag1 n ASN 72 Ca -0.01 -1.68 -0.36 0.00 -0.03 0.00 0.00 54.58 52.50 3ag1 n ASN 72 Cb 0.18 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.96 3.02 0.43 3.52 1.70 -0.86 -5.01 118.95 119.79 3ag1 s ARG 73 Ca 0.35 1.83 -0.02 0.00 -0.47 0.00 0.00 55.73 57.41 3ag1 s ARG 73 Cb 0.20 -1.96 -0.03 0.00 -0.57 0.00 0.00 34.95 32.60 3ag1 s ARG 73 CO 0.32 -1.17 0.68 -1.54 -1.08 0.00 0.00 175.30 172.51 3ag1 s SER 74 N -1.57 6.16 0.35 -2.89 1.04 -1.26 -5.09 113.70 110.43 3ag1 s SER 74 Ca 0.77 0.62 0.06 0.00 0.48 0.00 0.00 55.95 57.88 3ag1 s SER 74 Cb -0.30 -2.01 -0.07 0.00 0.10 0.00 0.00 66.02 63.74 3ag1 s SER 74 CO 0.33 -0.52 0.00 0.42 0.98 0.00 0.00 173.24 174.45 3ag1 s THR 75 N -2.56 1.70 -2.23 2.02 -4.23 -1.26 -5.03 115.64 104.05 3ag1 s THR 75 Ca 0.45 -2.05 0.19 0.00 -1.18 0.00 0.00 61.69 59.11 3ag1 s THR 75 Cb -0.10 -2.80 0.43 0.00 1.34 0.00 0.00 72.50 71.38 3ag1 s THR 75 CO 0.40 -0.08 1.49 0.59 -0.54 0.00 0.00 174.62 176.49 3ag1 n ASN 76 N -0.79 1.77 -0.33 3.99 3.02 -1.26 -4.54 115.26 117.11 3ag1 n ASN 76 Ca -0.04 -1.77 0.22 0.00 -0.03 0.00 0.00 54.58 52.96 3ag1 n ASN 76 Cb 0.66 -0.13 0.48 0.00 -0.61 0.00 0.00 39.78 40.17 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 2.26 0.42 -0.19 3.52 4.81 -2.01 -1.27 114.58 122.13 3ag1 h GLU 77 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3ag1 h GLU 77 Cb 0.50 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3ag1 h GLU 77 CO 0.00 0.28 0.17 0.11 -0.73 0.00 0.00 179.01 178.84 3ag1 h TRP 78 N 0.43 0.00 0.06 0.92 5.08 -2.00 -0.18 115.95 120.27 3ag1 h TRP 78 Ca 0.62 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.59 3ag1 h TRP 78 Cb 1.47 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.63 3ag1 h TRP 78 CO -0.00 0.00 -0.03 0.87 -1.28 0.00 0.00 178.44 178.00 3ag1 h LYS 79 N 0.00 -0.07 -0.45 0.12 1.57 -1.60 0.29 116.57 116.42 3ag1 h LYS 79 Ca 0.09 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 3ag1 h LYS 79 Cb 0.44 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 3ag1 h LYS 79 CO -0.00 0.53 -0.22 1.15 -0.57 0.00 0.00 179.45 180.34 3ag1 h THR 80 N -0.81 0.36 0.13 -0.16 2.02 -1.54 0.09 112.91 113.00 3ag1 h THR 80 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3ag1 h THR 80 Cb 0.64 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3ag1 h THR 80 CO 0.01 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.39 3ag1 h VAL 81 N -0.13 0.81 -0.25 3.16 2.07 -0.72 -0.90 116.25 120.29 3ag1 h VAL 81 Ca 0.21 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.56 3ag1 h VAL 81 Cb 0.46 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3ag1 h VAL 81 CO -0.53 0.00 -0.54 0.58 0.02 0.00 0.00 177.57 177.10 3ag1 h VAL 82 N -0.22 1.29 -0.02 2.57 2.07 -0.36 -1.70 116.25 119.88 3ag1 h VAL 82 Ca -0.01 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 3ag1 h VAL 82 Cb 0.19 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3ag1 h VAL 82 CO 0.00 0.56 -0.00 1.23 0.02 0.00 0.00 177.57 179.38 3ag1 h GLY 83 N 0.86 0.04 0.22 2.17 0.00 -0.90 -2.04 103.07 103.42 3ag1 h GLY 83 Ca 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.44 3ag1 h GLY 83 CO 0.11 0.03 0.27 0.00 0.00 0.00 0.00 176.54 176.95 3ag1 h ALA 84 N 0.67 0.96 -0.68 3.60 0.00 -1.16 -0.09 119.26 122.57 3ag1 h ALA 84 Ca 0.01 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ag1 h ALA 84 Cb 0.35 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ag1 h ALA 84 CO 0.00 -0.20 0.44 0.00 0.00 0.00 0.00 179.25 179.48 3ag1 h ALA 85 N 1.51 0.87 -0.60 0.00 0.00 -1.09 -0.74 119.26 119.21 3ag1 h ALA 85 Ca 0.38 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3ag1 h ALA 85 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ag1 h ALA 85 CO -0.38 0.24 0.15 0.52 0.00 0.00 0.00 179.25 179.79 3ag1 h MET 86 N 0.88 0.96 -0.34 0.00 2.07 -0.77 0.48 114.93 118.22 3ag1 h MET 86 Ca 0.26 -0.23 0.04 0.00 -2.07 0.00 0.00 59.70 57.70 3ag1 h MET 86 Cb -0.05 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 29.51 3ag1 h MET 86 CO -0.08 0.88 0.12 0.35 1.07 0.00 0.00 176.91 179.25 3ag1 h PHE 87 N 0.88 0.22 -0.09 -0.22 3.57 -0.43 0.17 116.94 121.03 3ag1 h PHE 87 Ca 0.19 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 3ag1 h PHE 87 Cb 0.34 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3ag1 h PHE 87 CO 0.02 0.09 -0.41 0.74 -2.23 0.00 0.00 178.31 176.53 3ag1 h PHE 88 N 0.27 0.24 -0.24 0.41 -1.00 -0.48 0.12 116.94 116.25 3ag1 h PHE 88 Ca 0.15 -0.06 -0.14 0.00 2.81 0.00 0.00 57.97 60.73 3ag1 h PHE 88 Cb 0.12 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3ag1 h PHE 88 CO -0.14 0.59 -0.42 0.82 -1.61 0.00 0.00 178.31 177.55 3ag1 h ILE 89 N 0.17 1.30 -0.34 -0.55 2.04 -0.73 -1.65 117.51 117.75 3ag1 h ILE 89 Ca 0.02 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.27 3ag1 h ILE 89 Cb 0.80 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3ag1 h ILE 89 CO 0.06 0.51 0.21 1.23 0.00 0.00 0.00 178.15 180.16 3ag1 h GLY 90 N 1.04 0.50 0.52 5.37 0.00 0.41 -2.61 103.07 108.30 3ag1 h GLY 90 Ca 0.04 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.26 3ag1 h GLY 90 CO 0.08 0.20 0.55 -2.75 0.00 0.00 0.00 176.54 174.62 3ag1 h PHE 91 N 0.45 0.99 -0.71 5.60 3.57 -0.64 0.87 116.94 127.07 3ag1 h PHE 91 Ca 0.12 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.77 3ag1 h PHE 91 Cb 0.01 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.39 3ag1 h PHE 91 CO -0.04 0.41 0.47 1.15 -2.23 0.00 0.00 178.31 178.07 3ag1 h THR 92 N 0.90 0.88 0.00 4.41 2.02 -0.92 0.21 112.91 120.40 3ag1 h THR 92 Ca 0.44 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.40 3ag1 h THR 92 Cb 0.39 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3ag1 h THR 92 CO -0.25 0.09 -0.23 0.00 0.37 0.00 0.00 175.52 175.50 3ag1 h ALA 93 N 1.65 1.28 -0.63 6.16 0.00 -0.62 -1.84 119.26 125.26 3ag1 h ALA 93 Ca 0.34 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3ag1 h ALA 93 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3ag1 h ALA 93 CO -0.11 0.29 0.17 -0.07 0.00 0.00 0.00 179.25 179.53 3ag1 h LEU 94 N 0.00 0.95 -0.87 0.00 3.38 -0.86 -1.64 115.31 116.26 3ag1 h LEU 94 Ca -0.00 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3ag1 h LEU 94 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ag1 h LEU 94 CO 0.03 0.92 -0.41 -0.07 0.09 0.00 0.00 178.44 179.01 3ag1 h LEU 95 N 0.92 0.34 -0.55 1.67 3.38 -1.29 -1.54 115.31 118.24 3ag1 h LEU 95 Ca 0.20 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3ag1 h LEU 95 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ag1 h LEU 95 CO -0.00 0.71 -0.55 -0.07 0.09 0.00 0.00 178.44 178.63 3ag1 h LEU 96 N 0.27 0.57 -0.38 1.67 3.38 -1.20 -1.97 115.31 117.66 3ag1 h LEU 96 Ca 0.02 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3ag1 h LEU 96 Cb 0.84 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ag1 h LEU 96 CO 0.07 1.00 0.04 0.40 0.09 0.00 0.00 178.44 180.04 3ag1 h ILE 97 N 0.39 1.25 -0.98 1.22 2.04 -0.92 -2.37 117.51 118.14 3ag1 h ILE 97 Ca 0.01 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.03 3ag1 h ILE 97 Cb 1.08 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 3ag1 h ILE 97 CO 0.10 0.31 0.63 -0.25 0.00 0.00 0.00 178.15 178.93 3ag1 h TRP 98 N 0.47 1.16 -0.44 1.37 7.01 -1.20 -2.05 115.95 122.27 3ag1 h TRP 98 Ca 0.11 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.00 3ag1 h TRP 98 Cb 0.40 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3ag1 h TRP 98 CO 0.03 0.57 -0.26 1.49 -2.79 0.00 0.00 178.44 177.48 3ag1 h GLU 99 N 1.11 0.96 -0.69 2.65 4.81 -1.12 0.14 114.58 122.44 3ag1 h GLU 99 Ca 0.44 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3ag1 h GLU 99 Cb 0.23 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3ag1 h GLU 99 CO -0.19 1.11 0.24 -0.22 -0.73 0.00 0.00 179.01 179.22 3ag1 h LYS 100 N 0.80 1.05 0.07 1.92 1.63 -1.24 0.50 116.57 121.29 3ag1 h LYS 100 Ca 0.09 -0.20 -0.25 0.00 -0.85 0.00 0.00 60.65 59.44 3ag1 h LYS 100 Cb 0.85 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 3ag1 h LYS 100 CO 0.07 0.88 -1.35 1.25 -3.45 0.00 0.00 179.45 176.85 3ag1 h HIS 101 N 1.02 0.25 0.00 1.91 2.76 -1.17 -3.33 115.15 116.59 3ag1 h HIS 101 Ca 0.23 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3ag1 h HIS 101 Cb 0.25 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3ag1 h HIS 101 CO 0.02 1.53 -1.09 0.66 -1.30 0.00 0.00 177.93 177.75 3ag1 n TYR 102 N -4.09 0.12 -0.05 5.26 4.01 0.47 -4.76 117.16 118.12 3ag1 n TYR 102 Ca -0.28 0.04 -0.09 0.00 -0.16 0.00 0.00 57.90 57.40 3ag1 n TYR 102 Cb 0.81 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 39.52 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 -1.81 0.54 -2.49 -0.72 0.31 -0.01 -5.00 118.33 109.16 3ag1 n VAL 103 Ca 0.02 -0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 3ag1 n VAL 103 Cb 0.41 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.93 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 -2.18 3.48 0.25 3.52 4.12 -0.18 -5.03 117.35 121.33 3ag1 s TYR 104 Ca -0.13 1.39 -0.04 0.00 0.02 0.00 0.00 57.07 58.30 3ag1 s TYR 104 Cb 0.05 -3.35 0.06 0.00 -1.52 0.00 0.00 41.96 37.19 3ag1 s TYR 104 CO 0.19 -1.00 0.27 0.41 0.02 0.00 0.00 175.55 175.44 3ag1 n GLY 105 N 3.15 -1.92 3.86 0.71 0.00 -1.26 -4.78 105.19 104.95 3ag1 n GLY 105 Ca 0.08 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.61 3.55 0.68 1.61 0.04 -1.26 -5.03 135.00 130.97 3ag1 s PRO 106 Ca 0.17 0.82 -0.09 0.00 0.04 0.00 0.00 61.00 61.94 3ag1 s PRO 106 Cb -0.01 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3ag1 s PRO 106 CO 0.12 -0.61 1.03 0.96 0.04 0.00 0.00 177.00 178.54 3ag1 s ILE 107 N -3.06 3.22 0.96 0.56 -4.36 -1.26 -5.04 121.20 112.22 3ag1 s ILE 107 Ca 0.56 0.17 -0.13 0.00 -0.26 0.00 0.00 60.65 61.00 3ag1 s ILE 107 Cb -0.11 -3.36 0.06 0.00 1.25 0.00 0.00 42.46 40.30 3ag1 s ILE 107 CO 0.50 -0.42 0.51 -2.65 0.24 0.00 0.00 174.94 173.12 3ag1 n PRO 108 N -2.89 -0.42 0.08 0.37 -0.02 -1.26 -4.90 135.00 125.96 3ag1 n PRO 108 Ca 0.06 -0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.58 3ag1 n PRO 108 Cb 0.58 -1.93 0.45 0.00 -0.02 0.00 0.00 33.50 32.58 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 -3.77 0.58 0.78 6.00 1.44 -1.26 -2.98 115.22 116.01 3ag1 n HIS 109 Ca 0.07 0.21 0.09 0.00 -2.01 0.00 0.00 57.72 56.07 3ag1 n HIS 109 Cb 0.54 -0.83 0.43 0.00 0.12 0.00 0.00 29.99 30.24 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 -2.01 0.56 1.07 0.61 -2.24 -1.26 -2.32 114.28 108.70 3ag1 n THR 110 Ca 0.04 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 3ag1 n THR 110 Cb 0.27 -0.85 0.25 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.34 0.00 -1.72 4.78 3.01 -1.16 -4.26 117.46 116.77 3ag1 n PHE 111 Ca 0.07 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.14 3ag1 n PHE 111 Cb 0.16 -0.19 0.03 0.00 -0.01 0.00 0.00 39.48 39.47 3ag1 n PHE 111 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3ag1 n GLU 112 N -1.22 1.82 -0.09 -1.08 1.02 -0.98 -4.75 120.64 115.37 3ag1 n GLU 112 Ca 0.07 0.66 0.13 0.00 -0.02 0.00 0.00 57.16 58.00 3ag1 n GLU 112 Cb 0.34 -2.48 0.50 0.00 -0.02 0.00 0.00 31.44 29.79 3ag1 n GLU 112 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3ag1 h GLU 113 N 1.77 0.39 0.13 3.49 4.81 -1.91 0.40 114.58 123.66 3ag1 h GLU 113 Ca -0.49 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3ag1 h GLU 113 Cb 1.30 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3ag1 h GLU 113 CO 0.58 0.26 -0.06 1.49 -0.73 0.00 0.00 179.01 180.55 3ag1 h GLU 114 N 0.40 -0.17 -0.70 1.92 4.81 -1.96 -1.83 114.58 117.05 3ag1 h GLU 114 Ca 0.29 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.67 3ag1 h GLU 114 Cb 0.59 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.88 3ag1 h GLU 114 CO -0.08 0.30 -0.21 2.35 -0.73 0.00 0.00 179.01 180.64 3ag1 h TRP 115 N -0.79 -0.49 -0.70 0.92 2.91 -1.78 -1.36 115.95 114.66 3ag1 h TRP 115 Ca -0.02 0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.08 3ag1 h TRP 115 Cb 0.55 0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 3ag1 h TRP 115 CO 0.09 -0.33 0.46 0.28 -1.03 0.00 0.00 178.44 177.92 3ag1 h VAL 116 N -0.03 1.16 -0.68 2.65 2.07 -0.92 0.29 116.25 120.80 3ag1 h VAL 116 Ca 0.33 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3ag1 h VAL 116 Cb 0.53 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3ag1 h VAL 116 CO -0.74 0.17 0.42 0.00 0.02 0.00 0.00 177.57 177.44 3ag1 h ALA 117 N 1.27 1.47 0.12 1.67 0.00 -0.94 0.18 119.26 123.03 3ag1 h ALA 117 Ca 0.26 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 3ag1 h ALA 117 Cb -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ag1 h ALA 117 CO -0.07 0.47 -0.85 0.87 0.00 0.00 0.00 179.25 179.67 3ag1 h LYS 118 N 0.92 0.37 -0.67 0.00 1.57 -0.12 -2.92 116.57 115.72 3ag1 h LYS 118 Ca 0.25 -0.55 0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3ag1 h LYS 118 Cb -0.06 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 3ag1 h LYS 118 CO -0.05 1.24 0.31 0.37 -0.57 0.00 0.00 179.45 180.75 3ag1 h GLN 119 N -0.23 0.51 -0.06 3.15 4.15 -0.47 -0.70 115.11 121.46 3ag1 h GLN 119 Ca -0.14 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.20 3ag1 h GLN 119 Cb 1.63 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.20 3ag1 h GLN 119 CO 0.16 0.34 -0.18 1.15 -1.93 0.00 0.00 178.83 178.37 3ag1 h THR 120 N 0.53 1.16 0.09 2.39 2.02 -0.63 -0.36 112.91 118.11 3ag1 h THR 120 Ca 0.33 -0.75 -0.16 0.00 0.77 0.00 0.00 66.41 66.60 3ag1 h THR 120 Cb 0.38 1.32 0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3ag1 h THR 120 CO -0.28 0.22 -0.68 0.50 0.37 0.00 0.00 175.52 175.65 3ag1 h LYS 121 N 0.09 0.30 -0.80 6.66 1.63 -1.19 -1.84 116.57 121.42 3ag1 h LYS 121 Ca 0.02 -0.45 0.01 0.00 -0.85 0.00 0.00 60.65 59.39 3ag1 h LYS 121 Cb 0.38 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.12 3ag1 h LYS 121 CO 0.03 1.18 0.53 -0.09 -3.45 0.00 0.00 179.45 177.64 3ag1 h ARG 122 N -0.35 1.03 -0.74 1.90 2.43 -0.84 0.21 114.38 118.02 3ag1 h ARG 122 Ca -0.11 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 3ag1 h ARG 122 Cb 1.49 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 3ag1 h ARG 122 CO 0.13 0.68 0.47 0.52 -1.51 0.00 0.00 179.97 180.26 3ag1 h MET 123 N 1.06 0.88 -0.81 0.20 2.86 -1.03 0.72 114.93 118.82 3ag1 h MET 123 Ca 0.30 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 3ag1 h MET 123 Cb -0.09 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.34 3ag1 h MET 123 CO -0.07 0.58 0.34 -0.07 1.06 0.00 0.00 176.91 178.75 3ag1 h LEU 124 N 0.91 1.10 -1.33 1.22 3.38 -0.73 -1.70 115.31 118.14 3ag1 h LEU 124 Ca 0.30 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3ag1 h LEU 124 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3ag1 h LEU 124 CO -0.11 0.96 -0.32 0.44 0.09 0.00 0.00 178.44 179.49 3ag1 h ASP 125 N 1.16 0.00 -0.31 -0.43 3.45 0.36 -1.62 116.42 119.04 3ag1 h ASP 125 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3ag1 h ASP 125 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3ag1 h ASP 125 CO -0.03 0.32 0.00 1.15 -1.57 0.00 0.00 179.24 179.12 3ag1 n MET 126 N -3.94 1.89 -3.88 3.56 0.00 0.16 -4.95 117.12 109.96 3ag1 n MET 126 Ca -0.02 -1.37 -0.27 0.00 0.00 0.00 0.00 57.70 56.04 3ag1 n MET 126 Cb 0.39 -1.36 0.02 0.00 0.00 0.00 0.00 33.22 32.26 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 0.60 -4.74 -1.68 3.17 5.02 -0.61 -4.88 118.16 115.03 3ag1 n LYS 127 Ca 0.15 0.55 -0.54 0.00 -2.02 0.00 0.00 58.31 56.46 3ag1 n LYS 127 Cb 0.36 -5.19 -0.06 0.00 -0.02 0.00 0.00 35.03 30.11 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 -4.48 0.31 -3.46 -0.18 0.31 -0.77 -3.32 118.33 106.74 3ag1 n VAL 128 Ca -0.12 -0.06 -0.20 0.00 -0.01 0.00 0.00 64.34 63.95 3ag1 n VAL 128 Cb 0.60 -1.35 0.03 0.00 -0.91 0.00 0.00 33.84 32.21 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 5.12 -2.56 1.12 3.52 0.00 -1.26 -0.98 120.51 125.47 3ag1 n ALA 129 Ca 0.24 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3ag1 n ALA 129 Cb 0.19 -3.44 0.34 0.00 0.00 0.00 0.00 19.45 16.54 3ag1 n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ag1 n PRO 130 N -3.21 0.36 0.04 0.00 -0.04 -1.21 -1.03 135.00 129.91 3ag1 n PRO 130 Ca -0.09 -0.20 -0.22 0.00 -0.04 0.00 0.00 63.50 62.95 3ag1 n PRO 130 Cb 0.59 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 3ag1 n PRO 130 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3ag1 h ILE 131 N 0.49 0.99 0.00 0.52 5.03 -1.90 -3.33 117.51 119.30 3ag1 h ILE 131 Ca 0.00 -2.45 0.00 0.00 -0.12 0.00 0.00 64.86 62.29 3ag1 h ILE 131 Cb 0.49 2.74 0.00 0.00 -3.03 0.00 0.00 36.82 37.02 3ag1 h ILE 131 CO 0.00 0.78 0.00 0.00 -0.68 0.00 0.00 178.15 178.25 3ag1 n GLN 132 N -3.78 0.00 0.12 2.37 6.02 -1.25 -4.82 117.38 116.04 3ag1 n GLN 132 Ca -0.25 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.51 3ag1 n GLN 132 Cb 0.98 -0.41 -0.15 0.00 1.02 0.00 0.00 30.24 31.67 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 0.52 0.00 1.08 0.00 -1.88 -3.44 103.07 99.36 3ag1 h GLY 133 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 47.33 45.99 3ag1 h GLY 133 CO 0.00 1.17 0.00 0.33 0.00 0.00 0.00 176.54 178.04 3ag1 n PHE 134 N -3.65 0.00 0.29 5.60 7.35 -0.19 -4.89 117.46 121.96 3ag1 n PHE 134 Ca -0.19 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.65 3ag1 n PHE 134 Cb 1.09 0.10 0.86 0.00 0.35 0.00 0.00 39.48 41.88 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 -0.29 0.54 113.55 111.69 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 0.03 0.23 0.00 -1.14 0.00 0.00 176.83 175.95 3ag1 h ALA 136 N 1.97 1.22 -0.27 3.77 0.00 -1.63 -1.74 119.26 122.58 3ag1 h ALA 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.66 3ag1 n LYS 137 N -2.92 2.33 -4.67 0.00 5.02 0.18 -4.91 118.16 113.19 3ag1 n LYS 137 Ca -0.02 -1.99 -0.33 0.00 -2.02 0.00 0.00 58.31 53.94 3ag1 n LYS 137 Cb 0.28 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.66 2.88 -0.41 2.13 -0.11 -0.65 -0.61 118.94 120.51 3ag1 s TRP 138 Ca 0.36 -0.17 -0.21 0.00 1.22 0.00 0.00 56.10 57.29 3ag1 s TRP 138 Cb 0.21 -1.75 0.02 0.00 -1.50 0.00 0.00 33.47 30.45 3ag1 s TRP 138 CO 0.31 0.16 0.67 0.34 -4.62 0.00 0.00 176.95 173.80 3ag1 s ASP 139 N -0.42 6.38 0.38 5.86 -1.08 0.66 -4.79 116.67 123.65 3ag1 s ASP 139 Ca 0.06 -0.13 0.20 0.00 -0.52 0.00 0.00 52.55 52.16 3ag1 s ASP 139 Cb -0.12 -2.33 0.38 0.00 -1.46 0.00 0.00 42.92 39.38 3ag1 s ASP 139 CO 0.02 -0.74 1.60 1.88 0.52 0.00 0.00 175.17 178.45 3ag1 h TYR 140 N 8.75 0.00 0.00 -5.34 0.05 -1.92 -2.27 116.97 116.24 3ag1 h TYR 140 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 3ag1 h TYR 140 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 3ag1 h TYR 140 CO 0.75 0.26 0.00 -0.25 -1.05 0.00 0.00 178.16 177.87 3ag1 n ASP 141 N -3.21 0.00 0.00 3.88 10.43 -1.26 -3.87 116.55 122.52 3ag1 n ASP 141 Ca 0.02 0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.66 3ag1 n ASP 141 Cb 0.59 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 43.28 3ag1 n ASP 141 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ag1 n LYS 142 N -1.30 0.00 -4.10 -1.24 5.02 -1.26 -4.83 118.16 110.46 3ag1 n LYS 142 Ca 0.00 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 3ag1 n LYS 142 Cb 0.00 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 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 -1.11 -0.91 -3.73 4.39 2.85 -0.88 -4.98 115.26 110.89 3ag1 n ASN 143 Ca 0.00 -1.06 -0.10 0.00 -0.11 0.00 0.00 54.58 53.32 3ag1 n ASN 143 Cb 0.12 -2.71 -0.06 0.00 1.24 0.00 0.00 39.78 38.38 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 -6.80 0.98 0.21 1.20 -1.05 -1.04 -5.00 118.70 107.20 3ag1 s GLU 144 Ca 0.21 -0.82 -0.32 0.00 -0.15 0.00 0.00 54.97 53.89 3ag1 s GLU 144 Cb -0.12 0.42 -0.14 0.00 -0.44 0.00 0.00 34.13 33.85 3ag1 s GLU 144 CO 0.92 -0.36 1.43 0.91 0.95 0.00 0.00 175.26 179.12 3ag1 n TRP 145 N -0.16 2.10 -1.68 4.83 7.02 -1.26 -0.25 117.44 128.05 3ag1 n TRP 145 Ca -0.16 0.42 -0.46 0.00 -1.02 0.00 0.00 57.50 56.28 3ag1 n TRP 145 Cb 0.63 -2.46 -0.04 0.00 -2.42 0.00 0.00 31.31 27.02 3ag1 n TRP 145 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3ag1 n LYS 146 N 2.41 2.24 0.00 -0.99 5.02 0.22 -4.76 118.16 122.30 3ag1 n LYS 146 Ca 0.14 0.81 0.16 0.00 -2.02 0.00 0.00 58.31 57.39 3ag1 n LYS 146 Cb 0.30 -2.62 0.87 0.00 -0.02 0.00 0.00 35.03 33.55 3ag1 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51