#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3b n PRO 3 N 3.87 1.25 0.18 0.00 -0.02 -1.26 -4.83 135.00 134.19 3g3b n PRO 3 Ca -0.14 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 61.92 3g3b n PRO 3 Cb 0.52 -1.87 0.71 0.00 -0.02 0.00 0.00 33.50 32.84 3g3b n PRO 3 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3g3b h SER 4 N 1.67 0.00 1.15 2.55 0.02 -1.97 -0.97 113.55 116.00 3g3b h SER 4 Ca -0.41 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.46 3g3b h SER 4 Cb 1.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 3g3b h SER 4 CO 0.58 0.00 -0.89 1.56 -1.14 0.00 0.00 176.83 176.94 3g3b h GLN 5 N 0.00 0.00 -6.77 3.45 4.20 -1.98 -3.48 115.11 110.53 3g3b h GLN 5 Ca 0.09 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.36 3g3b h GLN 5 Cb 0.38 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.20 3g3b h GLN 5 CO -0.00 0.21 -0.07 0.00 -0.67 0.00 0.00 178.83 178.29 3g3b s SER 7 N -4.39 4.09 -0.01 0.00 0.01 -0.68 -4.83 113.70 107.88 3g3b s SER 7 Ca 0.56 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.46 3g3b s SER 7 Cb -0.10 -0.73 -0.00 0.00 0.21 0.00 0.00 66.02 65.39 3g3b s SER 7 CO 0.38 0.23 -0.09 0.00 0.41 0.00 0.00 173.24 174.17 3g3b s SER 9 N -0.05 0.07 0.41 0.00 0.01 -0.40 -5.01 113.70 108.73 3g3b s SER 9 Ca 0.01 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.69 3g3b s SER 9 Cb -0.05 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.53 3g3b s SER 9 CO -0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3g3b n GLY 10 N 4.59 2.74 1.78 3.44 0.00 -1.26 0.33 105.19 116.81 3g3b n GLY 10 Ca -0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3g3b n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g3b n THR 11 N 0.00 2.42 -4.20 2.61 -2.24 -1.26 -4.86 114.28 106.75 3g3b n THR 11 Ca 0.00 -1.27 -0.34 0.00 -2.27 0.00 0.00 64.05 60.16 3g3b n THR 11 Cb 0.00 -0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 67.53 3g3b n THR 11 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g3b s THR 12 N -2.31 3.39 -0.15 4.28 2.01 0.15 -0.74 115.64 122.27 3g3b s THR 12 Ca 0.40 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.90 3g3b s THR 12 Cb 0.33 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.34 3g3b s THR 12 CO 0.09 0.46 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.62 3g3b s VAL 13 N 1.01 2.53 -0.33 3.82 1.01 0.28 -1.27 120.40 127.44 3g3b s VAL 13 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3g3b s VAL 13 Cb -0.15 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.26 3g3b s VAL 13 CO -0.00 0.52 0.05 -0.62 0.00 0.00 0.00 175.10 175.05 3g3b s ASP 14 N 0.78 4.87 -0.13 3.32 2.15 0.12 -1.64 116.67 126.14 3g3b s ASP 14 Ca -0.06 -1.78 0.16 0.00 0.43 0.00 0.00 52.55 51.30 3g3b s ASP 14 Cb -0.15 -1.69 0.63 0.00 -0.30 0.00 0.00 42.92 41.41 3g3b s ASP 14 CO 0.00 -0.36 1.55 0.00 -0.17 0.00 0.00 175.17 176.19 3g3b s SER 16 N -1.16 5.30 -1.31 0.00 1.04 -1.14 -4.25 113.70 112.17 3g3b s SER 16 Ca 0.46 2.14 -0.06 0.00 0.48 0.00 0.00 55.95 58.96 3g3b s SER 16 Cb 0.32 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.88 3g3b s SER 16 CO 0.18 -1.51 1.12 0.61 0.98 0.00 0.00 173.24 174.63 3g3b n GLY 17 N -0.07 -0.49 1.00 7.32 0.00 -0.92 -4.93 105.19 107.09 3g3b n GLY 17 Ca 0.11 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.39 3g3b n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g3b n LYS 18 N -4.73 0.62 -3.17 1.61 5.02 -1.25 -5.01 118.16 111.25 3g3b n LYS 18 Ca -0.08 -2.37 -0.20 0.00 -2.02 0.00 0.00 58.31 53.64 3g3b n LYS 18 Cb 0.59 -0.70 -0.01 0.00 -0.02 0.00 0.00 35.03 34.90 3g3b n LYS 18 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3g3b n SER 19 N -0.23 -3.52 -4.81 4.39 7.64 -1.26 -4.93 113.62 110.91 3g3b n SER 19 Ca 0.10 -0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.41 3g3b n SER 19 Cb 0.91 -2.94 -0.03 0.00 -1.01 0.00 0.00 64.21 61.15 3g3b n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g3b s LEU 20 N -6.25 3.73 -0.00 -3.43 1.43 -1.26 -4.64 118.68 108.25 3g3b s LEU 20 Ca 0.31 1.83 0.05 0.00 -1.03 0.00 0.00 54.13 55.29 3g3b s LEU 20 Cb -0.17 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 3g3b s LEU 20 CO 0.38 -0.83 0.18 0.00 0.23 0.00 0.00 176.35 176.31 3g3b n ALA 21 N -1.32 2.46 -3.30 4.21 0.00 -1.26 -0.02 120.51 121.28 3g3b n ALA 21 Ca 0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 3g3b n ALA 21 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 3g3b n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g3b s SER 22 N -2.04 0.29 -0.01 0.00 1.04 -1.26 -4.15 113.70 107.57 3g3b s SER 22 Ca 0.00 -1.17 -0.30 0.00 0.48 0.00 0.00 55.95 54.96 3g3b s SER 22 Cb 0.04 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.81 3g3b s SER 22 CO 0.22 -1.37 1.37 -0.69 0.98 0.00 0.00 173.24 173.76 3g3b s VAL 23 N -3.18 3.78 1.15 5.02 1.01 -1.26 -5.01 120.40 121.92 3g3b s VAL 23 Ca 0.23 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 63.21 3g3b s VAL 23 Cb -0.02 -3.75 0.21 0.00 0.00 0.00 0.00 36.38 32.82 3g3b s VAL 23 CO 0.14 -0.00 0.56 -2.65 0.00 0.00 0.00 175.10 173.14 3g3b n PRO 24 N 5.32 -2.09 -3.82 2.72 -0.02 -1.26 -5.02 135.00 130.83 3g3b n PRO 24 Ca 0.13 -0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 60.71 3g3b n PRO 24 Cb 0.44 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 3g3b n PRO 24 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g3b s THR 25 N -2.33 5.30 -0.83 3.45 2.01 -1.26 -4.56 115.64 117.42 3g3b s THR 25 Ca 0.63 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.39 3g3b s THR 25 Cb -0.19 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.69 3g3b s THR 25 CO 0.66 0.09 0.71 0.61 -0.69 0.00 0.00 174.62 176.00 3g3b n GLY 26 N 0.19 -0.08 3.66 4.40 0.00 -1.26 -4.38 105.19 107.71 3g3b n GLY 26 Ca -0.04 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3g3b n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g3b s ILE 27 N -3.23 4.58 0.58 -0.61 -1.09 -1.26 -4.10 121.20 116.07 3g3b s ILE 27 Ca 0.11 1.91 -0.18 0.00 -2.23 0.00 0.00 60.65 60.26 3g3b s ILE 27 Cb -0.05 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.51 3g3b s ILE 27 CO 0.49 -0.16 0.50 -2.65 -1.23 0.00 0.00 174.94 171.89 3g3b n PRO 28 N 6.33 0.48 0.00 2.79 -0.02 -1.26 -4.87 135.00 138.45 3g3b n PRO 28 Ca 0.12 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3g3b n PRO 28 Cb 0.46 -1.69 0.28 0.00 -0.02 0.00 0.00 33.50 32.53 3g3b n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g3b n THR 29 N -1.74 0.00 1.73 3.45 -2.24 -1.26 -2.96 114.28 111.26 3g3b n THR 29 Ca 0.11 -0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 3g3b n THR 29 Cb 0.48 0.29 0.82 0.00 -2.10 0.00 0.00 70.33 69.82 3g3b n THR 29 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g3b n THR 30 N -1.30 0.00 -2.34 4.28 -2.24 -1.26 -4.13 114.28 107.29 3g3b n THR 30 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 3g3b n THR 30 Cb 0.34 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3g3b n THR 30 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g3b s THR 31 N -2.00 3.70 -0.11 4.28 2.01 -1.15 -4.87 115.64 117.49 3g3b s THR 31 Ca 0.42 1.28 0.06 0.00 0.31 0.00 0.00 61.69 63.75 3g3b s THR 31 Cb 0.19 -3.82 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 3g3b s THR 31 CO 0.32 0.13 -0.02 0.00 -0.69 0.00 0.00 174.62 174.36 3g3b n GLN 32 N 3.51 1.65 -4.09 4.92 6.02 0.08 -2.67 117.38 126.80 3g3b n GLN 32 Ca 0.08 0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.76 3g3b n GLN 32 Cb 0.45 -1.26 -0.16 0.00 1.02 0.00 0.00 30.24 30.29 3g3b n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g3b s VAL 33 N -2.25 2.24 -0.23 5.09 1.01 -0.76 0.07 120.40 125.58 3g3b s VAL 33 Ca -0.09 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 3g3b s VAL 33 Cb 0.04 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.49 3g3b s VAL 33 CO 0.38 0.47 -0.03 -0.22 0.00 0.00 0.00 175.10 175.69 3g3b s LEU 34 N 1.30 2.27 -0.35 3.92 2.96 -0.41 -0.56 118.68 127.80 3g3b s LEU 34 Ca 0.04 -1.10 -0.18 0.00 -0.22 0.00 0.00 54.13 52.67 3g3b s LEU 34 Cb -0.14 -1.05 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 3g3b s LEU 34 CO -0.11 -0.25 0.51 -0.31 -1.32 0.00 0.00 176.35 174.87 3g3b s TYR 35 N 1.50 3.18 -0.17 5.38 2.02 -0.65 -1.58 117.35 127.01 3g3b s TYR 35 Ca -0.05 0.15 0.13 0.00 -0.37 0.00 0.00 57.07 56.94 3g3b s TYR 35 Cb -0.18 -2.93 0.40 0.00 -0.40 0.00 0.00 41.96 38.85 3g3b s TYR 35 CO -0.07 -0.55 1.20 1.28 -1.57 0.00 0.00 175.55 175.85 3g3b n LEU 36 N 5.74 2.43 -4.91 -1.29 4.77 0.23 0.09 117.00 124.05 3g3b n LEU 36 Ca -0.05 -3.55 -0.27 0.00 -0.03 0.00 0.00 56.01 52.11 3g3b n LEU 36 Cb 0.49 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3g3b n LEU 36 CO 0.45 1.21 0.51 -0.72 -1.33 0.00 0.00 177.39 177.52 3g3b s TYR 37 N -2.76 3.37 -1.23 -1.77 -0.85 -1.20 -4.31 117.35 108.60 3g3b s TYR 37 Ca 0.36 0.72 -0.08 0.00 -0.52 0.00 0.00 57.07 57.56 3g3b s TYR 37 Cb 0.36 -2.60 -0.01 0.00 0.38 0.00 0.00 41.96 40.08 3g3b s TYR 37 CO -0.07 -0.65 0.73 -3.47 -1.52 0.00 0.00 175.55 170.57 3g3b n ASP 38 N -2.49 -3.15 -0.76 -0.18 2.03 -0.93 -2.17 116.55 108.89 3g3b n ASP 38 Ca 0.03 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.46 3g3b n ASP 38 Cb 0.57 -3.90 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 3g3b n ASP 38 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3g3b n ASN 39 N -2.95 1.38 -1.56 1.67 5.03 -1.11 -2.18 115.26 115.55 3g3b n ASN 39 Ca -0.20 -0.45 -0.14 0.00 0.87 0.00 0.00 54.58 54.66 3g3b n ASN 39 Cb 0.64 0.00 0.10 0.00 -1.02 0.00 0.00 39.78 39.50 3g3b n ASN 39 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3g3b n ARG 40 N 0.00 2.78 -2.44 3.52 5.12 0.97 -4.30 116.66 122.32 3g3b n ARG 40 Ca 0.00 -3.75 -0.43 0.00 -1.93 0.00 0.00 57.85 51.74 3g3b n ARG 40 Cb 0.00 -2.05 -0.02 0.00 -1.16 0.00 0.00 32.46 29.23 3g3b n ARG 40 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3g3b s ILE 41 N -4.08 4.28 -0.08 0.55 1.01 -1.10 -4.35 121.20 117.42 3g3b s ILE 41 Ca 0.48 1.57 0.10 0.00 0.00 0.00 0.00 60.65 62.79 3g3b s ILE 41 Cb 0.41 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 3g3b s ILE 41 CO 0.00 -0.09 0.08 0.35 0.00 0.00 0.00 174.94 175.28 3g3b n THR 42 N 5.13 0.56 -4.15 2.92 -2.24 -1.26 -0.16 114.28 115.07 3g3b n THR 42 Ca 0.13 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 3g3b n THR 42 Cb 0.45 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 3g3b n THR 42 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g3b s LYS 43 N -2.36 0.77 -0.03 -0.78 -0.14 -1.26 -1.52 119.74 114.41 3g3b s LYS 43 Ca -0.05 -1.01 0.07 0.00 -1.36 0.00 0.00 55.97 53.62 3g3b s LYS 43 Cb 0.04 -0.58 -0.02 0.00 -1.68 0.00 0.00 37.83 35.60 3g3b s LYS 43 CO 0.43 0.11 -0.24 -0.51 -0.76 0.00 0.00 175.35 174.38 3g3b s LEU 44 N -2.03 2.04 -0.13 3.17 1.43 -1.26 -4.81 118.68 117.08 3g3b s LEU 44 Ca -0.00 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 3g3b s LEU 44 Cb -0.07 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 3g3b s LEU 44 CO 0.01 0.27 0.87 -1.61 0.23 0.00 0.00 176.35 176.12 3g3b s GLU 45 N -0.42 4.36 -0.15 1.70 0.41 -1.26 -4.50 118.70 118.84 3g3b s GLU 45 Ca 0.05 1.12 -0.37 0.00 -0.41 0.00 0.00 54.97 55.36 3g3b s GLU 45 Cb -0.11 -3.54 -0.18 0.00 -1.78 0.00 0.00 34.13 28.52 3g3b s GLU 45 CO 0.00 -0.26 1.11 -2.30 -0.49 0.00 0.00 175.26 173.32 3g3b n PRO 46 N 4.91 0.00 -1.11 0.39 -0.02 -1.26 -0.95 135.00 136.96 3g3b n PRO 46 Ca 0.05 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.49 3g3b n PRO 46 Cb 0.49 -1.32 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 3g3b n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3b n GLY 47 N 2.09 0.62 0.45 -1.23 0.00 -1.26 -4.90 105.19 100.95 3g3b n GLY 47 Ca 0.21 -0.24 0.26 0.00 0.00 0.00 0.00 46.02 46.25 3g3b n GLY 47 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3b h VAL 48 N 0.00 0.58 0.00 1.61 3.04 -1.37 -2.18 116.25 117.93 3g3b h VAL 48 Ca -0.08 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3g3b h VAL 48 Cb 0.53 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 3g3b h VAL 48 CO 0.12 0.02 -1.88 0.49 -1.01 0.00 0.00 177.57 175.31 3g3b n PHE 49 N -4.34 0.00 -0.51 3.17 3.72 -1.26 -4.56 117.46 113.68 3g3b n PHE 49 Ca 0.19 0.00 0.38 0.00 -0.05 0.00 0.00 57.45 57.98 3g3b n PHE 49 Cb 0.90 -0.44 0.60 0.00 -0.94 0.00 0.00 39.48 39.60 3g3b n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3g3b n ASP 50 N -2.17 0.02 0.19 4.37 9.92 -0.82 0.25 116.55 128.32 3g3b n ASP 50 Ca -0.03 0.78 0.09 0.00 -0.53 0.00 0.00 54.79 55.10 3g3b n ASP 50 Cb 0.52 -0.39 0.12 0.00 -0.64 0.00 0.00 41.12 40.73 3g3b n ASP 50 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 3g3b h ARG 51 N 0.00 0.00 -3.03 -1.24 0.11 -1.80 -3.42 114.38 105.00 3g3b h ARG 51 Ca 0.70 0.00 -0.80 0.00 0.10 0.00 0.00 59.98 59.98 3g3b h ARG 51 Cb 2.72 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 33.55 3g3b h ARG 51 CO -0.06 0.13 1.03 1.28 0.10 0.00 0.00 179.97 182.46 3g3b n LEU 52 N -3.10 6.49 0.16 0.08 4.77 0.69 -4.83 117.00 121.26 3g3b n LEU 52 Ca 0.03 -5.11 0.09 0.00 -0.03 0.00 0.00 56.01 50.99 3g3b n LEU 52 Cb 0.59 -1.31 0.08 0.00 -2.33 0.00 0.00 43.42 40.45 3g3b n LEU 52 CO 0.36 1.64 0.46 0.71 -1.33 0.00 0.00 177.39 179.23 3g3b h THR 53 N 3.48 0.23 0.00 -5.08 1.35 -1.78 -3.25 112.91 107.87 3g3b h THR 53 Ca 0.24 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3g3b h THR 53 Cb 0.61 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3g3b h THR 53 CO 1.40 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 176.80 3g3b n GLN 54 N -3.01 0.60 -2.02 4.72 1.13 -1.26 -4.55 117.38 112.99 3g3b n GLN 54 Ca 0.01 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 3g3b n GLN 54 Cb 0.61 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 3g3b n GLN 54 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g3b s LEU 55 N -2.36 4.37 -0.09 1.08 1.43 -1.09 -4.31 118.68 117.70 3g3b s LEU 55 Ca 0.34 2.51 0.12 0.00 -1.03 0.00 0.00 54.13 56.06 3g3b s LEU 55 Cb 0.20 -3.59 -0.17 0.00 0.03 0.00 0.00 46.19 42.66 3g3b s LEU 55 CO 0.40 -0.76 0.11 0.35 0.23 0.00 0.00 176.35 176.68 3g3b n THR 56 N 3.97 0.62 -3.95 5.49 -2.24 0.11 -2.90 114.28 115.37 3g3b n THR 56 Ca 0.13 -0.47 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 3g3b n THR 56 Cb 0.40 -0.43 -0.16 0.00 -2.10 0.00 0.00 70.33 68.04 3g3b n THR 56 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g3b s ARG 57 N -2.48 0.42 -0.13 -0.78 3.52 -1.09 0.13 118.95 118.55 3g3b s ARG 57 Ca -0.06 0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.58 3g3b s ARG 57 Cb 0.05 -0.60 0.04 0.00 -1.56 0.00 0.00 34.95 32.88 3g3b s ARG 57 CO 0.53 -0.15 -0.00 -1.17 -0.81 0.00 0.00 175.30 173.70 3g3b s LEU 58 N 1.13 0.98 -0.37 -0.88 2.96 -0.69 -1.28 118.68 120.53 3g3b s LEU 58 Ca -0.08 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 3g3b s LEU 58 Cb -0.14 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 45.97 3g3b s LEU 58 CO -0.02 -0.22 0.21 -1.81 -1.32 0.00 0.00 176.35 173.20 3g3b s ASP 59 N 1.86 5.77 -0.14 3.68 1.11 -0.62 -2.19 116.67 126.14 3g3b s ASP 59 Ca 0.03 -0.92 0.17 0.00 0.18 0.00 0.00 52.55 52.00 3g3b s ASP 59 Cb -0.14 -2.04 0.39 0.00 1.07 0.00 0.00 42.92 42.19 3g3b s ASP 59 CO -0.07 -0.37 1.27 0.18 1.18 0.00 0.00 175.17 177.36 3g3b n LEU 60 N 5.02 3.05 -4.86 1.23 4.77 -0.36 -0.60 117.00 125.26 3g3b n LEU 60 Ca -0.12 -2.97 -0.31 0.00 -0.03 0.00 0.00 56.01 52.58 3g3b n LEU 60 Cb 0.47 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3g3b n LEU 60 CO 0.37 0.69 0.71 1.51 -1.33 0.00 0.00 177.39 179.33 3g3b s ASP 61 N -2.30 6.32 -1.03 -1.43 1.47 -1.18 -4.17 116.67 114.35 3g3b s ASP 61 Ca 0.35 1.49 -0.07 0.00 1.18 0.00 0.00 52.55 55.51 3g3b s ASP 61 Cb 0.29 -2.49 0.01 0.00 -0.34 0.00 0.00 42.92 40.39 3g3b s ASP 61 CO 0.06 -0.81 0.90 0.59 0.68 0.00 0.00 175.17 176.59 3g3b n ASN 62 N -2.33 -5.23 0.00 2.11 3.02 -0.66 -2.20 115.26 109.96 3g3b n ASN 62 Ca 0.06 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3g3b n ASN 62 Cb 0.54 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 3g3b n ASN 62 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3g3b n ASN 63 N -1.96 0.00 -1.44 6.41 5.03 -1.15 -2.74 115.26 119.41 3g3b n ASN 63 Ca -0.00 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.49 3g3b n ASN 63 Cb 0.55 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.33 3g3b n ASN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g3b n GLN 64 N 0.00 0.00 -1.64 3.52 6.02 0.77 -4.50 117.38 121.55 3g3b n GLN 64 Ca 0.00 -1.93 -0.47 0.00 -0.01 0.00 0.00 57.00 54.58 3g3b n GLN 64 Cb 0.00 -0.02 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 3g3b n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3g3b n LEU 65 N 0.47 2.60 -0.07 1.08 4.77 -0.97 -4.42 117.00 120.45 3g3b n LEU 65 Ca 0.05 1.12 -0.07 0.00 -0.03 0.00 0.00 56.01 57.08 3g3b n LEU 65 Cb 1.12 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 3g3b n LEU 65 CO -0.04 -0.63 -0.96 0.35 -1.33 0.00 0.00 177.39 174.78 3g3b n THR 66 N 2.53 0.95 -3.60 -5.08 -2.24 -0.58 -0.68 114.28 105.58 3g3b n THR 66 Ca 0.15 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 61.23 3g3b n THR 66 Cb 0.27 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 3g3b n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g3b s VAL 67 N -2.33 0.03 -0.09 2.28 0.11 -1.26 -4.13 120.40 115.01 3g3b s VAL 67 Ca -0.08 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 3g3b s VAL 67 Cb 0.04 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 3g3b s VAL 67 CO 0.55 -0.13 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.32 3g3b s LEU 68 N -1.71 2.97 0.16 2.54 1.43 -1.26 -4.52 118.68 118.29 3g3b s LEU 68 Ca -0.08 -0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 52.56 3g3b s LEU 68 Cb -0.01 -1.65 -0.11 0.00 0.03 0.00 0.00 46.19 44.45 3g3b s LEU 68 CO 0.02 0.29 1.70 -2.16 0.23 0.00 0.00 176.35 176.43 3g3b s PRO 69 N -0.38 4.16 0.18 1.29 0.04 -1.26 -4.79 135.00 134.23 3g3b s PRO 69 Ca 0.05 2.51 -0.26 0.00 0.04 0.00 0.00 61.00 63.34 3g3b s PRO 69 Cb -0.12 -3.29 -0.16 0.00 0.04 0.00 0.00 34.50 30.97 3g3b s PRO 69 CO 0.02 -0.74 0.50 0.00 0.04 0.00 0.00 177.00 176.82 3g3b n ALA 70 N 4.60 -2.75 -1.16 8.56 0.00 -1.26 -1.63 120.51 126.88 3g3b n ALA 70 Ca 0.16 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.95 3g3b n ALA 70 Cb 0.37 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 3g3b n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3b n GLY 71 N 1.82 0.65 0.29 0.00 0.00 -1.26 -4.79 105.19 101.90 3g3b n GLY 71 Ca 0.17 -0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.22 3g3b n GLY 71 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3b h VAL 72 N 0.00 0.41 -0.25 1.61 3.04 -1.66 -2.75 116.25 116.65 3g3b h VAL 72 Ca -0.11 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3g3b h VAL 72 Cb 0.78 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3g3b h VAL 72 CO 0.16 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.25 3g3b n PHE 73 N -3.59 0.32 -0.01 3.17 3.72 -1.26 -4.49 117.46 115.31 3g3b n PHE 73 Ca -0.02 -0.28 0.02 0.00 -0.05 0.00 0.00 57.45 57.12 3g3b n PHE 73 Cb 0.14 -0.01 0.35 0.00 -0.94 0.00 0.00 39.48 39.02 3g3b n PHE 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3b h ASP 74 N 2.62 0.50 0.75 4.37 5.19 -1.76 -2.03 116.42 126.05 3g3b h ASP 74 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3g3b h ASP 74 Cb 0.69 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.08 3g3b h ASP 74 CO 0.00 0.46 -0.30 0.29 -3.12 0.00 0.00 179.24 176.57 3g3b n LYS 75 N -4.38 0.03 -1.87 3.56 4.01 -1.26 -4.43 118.16 113.81 3g3b n LYS 75 Ca 0.03 0.01 -0.40 0.00 -0.51 0.00 0.00 58.31 57.43 3g3b n LYS 75 Cb 0.14 -1.52 -0.01 0.00 -0.51 0.00 0.00 35.03 33.13 3g3b n LYS 75 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3g3b n LEU 76 N -1.56 7.83 0.00 -0.35 4.77 -0.76 -4.62 117.00 122.30 3g3b n LEU 76 Ca 0.06 -4.64 0.14 0.00 -0.03 0.00 0.00 56.01 51.53 3g3b n LEU 76 Cb 0.35 -1.46 0.69 0.00 -2.33 0.00 0.00 43.42 40.67 3g3b n LEU 76 CO 0.32 1.83 0.97 0.35 -1.33 0.00 0.00 177.39 179.54 3g3b n THR 77 N 2.83 0.09 -0.20 -5.08 -2.24 -1.26 -3.28 114.28 105.13 3g3b n THR 77 Ca 0.61 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 62.46 3g3b n THR 77 Cb 0.28 -0.56 0.14 0.00 -2.10 0.00 0.00 70.33 68.10 3g3b n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g3b n GLN 78 N -1.31 2.88 -2.95 -0.78 6.02 -1.26 -3.12 117.38 116.86 3g3b n GLN 78 Ca 0.13 -2.03 -0.42 0.00 -0.01 0.00 0.00 57.00 54.66 3g3b n GLN 78 Cb 0.24 -1.27 -0.05 0.00 1.02 0.00 0.00 30.24 30.18 3g3b n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3g3b s LEU 79 N -1.11 4.09 -0.08 1.08 2.96 -1.14 -4.04 118.68 120.44 3g3b s LEU 79 Ca 0.22 0.60 0.13 0.00 -0.22 0.00 0.00 54.13 54.86 3g3b s LEU 79 Cb 0.12 -3.07 -0.24 0.00 0.50 0.00 0.00 46.19 43.51 3g3b s LEU 79 CO 0.14 -0.64 0.52 0.35 -1.32 0.00 0.00 176.35 175.40 3g3b n THR 80 N 5.59 1.58 -4.26 3.68 -2.24 0.35 -2.42 114.28 116.55 3g3b n THR 80 Ca 0.04 -0.80 -0.19 0.00 -2.27 0.00 0.00 64.05 60.83 3g3b n THR 80 Cb 0.48 -0.97 -0.16 0.00 -2.10 0.00 0.00 70.33 67.59 3g3b n THR 80 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g3b s GLN 81 N -2.57 0.80 -0.14 -0.78 -0.21 -0.31 -0.33 119.66 116.12 3g3b s GLN 81 Ca -0.07 -0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.06 3g3b s GLN 81 Cb 0.08 -0.77 0.07 0.00 1.00 0.00 0.00 33.01 33.38 3g3b s GLN 81 CO 0.82 0.05 0.17 -1.17 -2.12 0.00 0.00 175.29 173.04 3g3b s LEU 82 N 0.37 -0.02 -0.19 2.90 2.96 -0.37 -1.70 118.68 122.62 3g3b s LEU 82 Ca -0.05 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3g3b s LEU 82 Cb -0.09 0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.78 3g3b s LEU 82 CO 0.00 -0.29 0.09 -0.94 -1.32 0.00 0.00 176.35 173.89 3g3b s SER 83 N 2.28 5.81 0.00 3.68 1.04 -0.93 -1.83 113.70 123.75 3g3b s SER 83 Ca 0.04 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3g3b s SER 83 Cb -0.14 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.97 3g3b s SER 83 CO -0.09 0.16 0.60 0.18 0.98 0.00 0.00 173.24 175.07 3g3b n LEU 84 N 3.64 0.96 -4.54 2.42 4.77 -0.07 -1.22 117.00 122.96 3g3b n LEU 84 Ca -0.16 -0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 54.57 3g3b n LEU 84 Cb 0.52 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.84 3g3b n LEU 84 CO 0.36 0.24 0.56 0.54 -1.33 0.00 0.00 177.39 177.76 3g3b s ASN 85 N -0.36 1.49 -1.12 -1.43 4.22 -0.72 -4.17 114.94 112.84 3g3b s ASN 85 Ca 0.00 1.72 -0.25 0.00 -2.14 0.00 0.00 52.86 52.19 3g3b s ASN 85 Cb 0.00 -2.39 0.02 0.00 1.28 0.00 0.00 41.25 40.16 3g3b s ASN 85 CO 0.00 -3.92 0.72 0.47 -2.04 0.00 0.00 177.10 172.33 3g3b n ASP 86 N -4.74 -4.81 0.00 3.54 8.00 -0.90 -2.25 116.55 115.39 3g3b n ASP 86 Ca 0.05 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3g3b n ASP 86 Cb 0.54 -2.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.21 3g3b n ASP 86 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g3b n ASN 87 N -2.39 0.55 -0.02 -2.24 5.03 -1.11 -1.66 115.26 113.42 3g3b n ASN 87 Ca -0.12 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.34 3g3b n ASN 87 Cb 0.59 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.36 3g3b n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g3b n GLN 88 N 0.00 2.37 -1.69 3.52 1.13 0.14 -4.48 117.38 118.37 3g3b n GLN 88 Ca 0.00 -1.47 -0.44 0.00 -1.94 0.00 0.00 57.00 53.16 3g3b n GLN 88 Cb 0.00 -0.98 -0.02 0.00 0.11 0.00 0.00 30.24 29.36 3g3b n GLN 88 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3g3b n LEU 89 N -0.52 3.46 -0.05 1.08 4.77 -0.57 -4.62 117.00 120.54 3g3b n LEU 89 Ca 0.02 1.16 -0.06 0.00 -0.03 0.00 0.00 56.01 57.10 3g3b n LEU 89 Cb 0.33 -1.47 -0.08 0.00 -2.33 0.00 0.00 43.42 39.87 3g3b n LEU 89 CO 0.00 -0.38 -0.85 0.29 -1.33 0.00 0.00 177.39 175.11 3g3b n LYS 90 N 1.56 2.07 -4.01 3.23 4.76 -1.25 -3.28 118.16 121.23 3g3b n LYS 90 Ca 0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 3g3b n LYS 90 Cb 0.34 -1.27 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 3g3b n LYS 90 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3g3b s SER 91 N -4.40 0.59 -0.03 4.39 1.04 -1.26 -1.46 113.70 112.56 3g3b s SER 91 Ca -0.07 -1.34 0.07 0.00 0.48 0.00 0.00 55.95 55.09 3g3b s SER 91 Cb 0.03 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 3g3b s SER 91 CO 0.42 -1.39 -0.24 -0.63 0.98 0.00 0.00 173.24 172.39 3g3b s ILE 92 N -2.95 2.26 0.47 -1.02 -1.09 -1.26 -4.82 121.20 112.79 3g3b s ILE 92 Ca 0.26 -1.03 -0.23 0.00 -2.23 0.00 0.00 60.65 57.42 3g3b s ILE 92 Cb -0.02 -1.81 -0.07 0.00 -1.58 0.00 0.00 42.46 38.99 3g3b s ILE 92 CO 0.17 0.58 1.22 -2.84 -1.23 0.00 0.00 174.94 172.84 3g3b s PRO 93 N -0.60 3.64 0.07 2.79 0.02 -1.26 -4.77 135.00 134.90 3g3b s PRO 93 Ca 0.09 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 62.70 3g3b s PRO 93 Cb -0.10 -2.40 -0.10 0.00 0.02 0.00 0.00 34.50 31.91 3g3b s PRO 93 CO -0.00 -0.68 1.90 -2.13 -0.33 0.00 0.00 177.00 175.76 3g3b n ARG 94 N -0.55 2.80 -0.82 5.54 0.63 -1.26 -1.82 116.66 121.18 3g3b n ARG 94 Ca 0.08 1.02 0.00 0.00 -0.92 0.00 0.00 57.85 58.03 3g3b n ARG 94 Cb 0.47 -2.94 0.00 0.00 0.45 0.00 0.00 32.46 30.44 3g3b n ARG 94 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g3b n GLY 95 N 4.39 0.70 0.36 5.14 0.00 -1.26 -4.88 105.19 109.65 3g3b n GLY 95 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3g3b n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3b h ALA 96 N 0.00 1.93 -0.01 4.61 0.00 -1.75 -2.00 119.26 122.05 3g3b h ALA 96 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g3b h ALA 96 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3g3b h ALA 96 CO 0.00 -0.10 -0.75 1.19 0.00 0.00 0.00 179.25 179.59 3g3b n PHE 97 N -4.49 0.00 0.03 0.00 3.72 -1.26 -4.56 117.46 110.90 3g3b n PHE 97 Ca 0.13 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.72 3g3b n PHE 97 Cb 0.39 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.65 3g3b n PHE 97 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3b h ASP 98 N 0.99 0.00 0.83 4.37 5.19 -1.76 -1.57 116.42 124.47 3g3b h ASP 98 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g3b h ASP 98 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3g3b h ASP 98 CO 0.00 0.00 -0.74 0.78 -3.12 0.00 0.00 179.24 176.16 3g3b h ASN 99 N 0.00 0.00 -0.22 6.45 4.21 -1.81 -3.43 115.58 120.78 3g3b h ASN 99 Ca 0.23 -0.20 -0.72 0.00 1.21 0.00 0.00 56.30 56.82 3g3b h ASN 99 Cb 0.96 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.11 3g3b h ASN 99 CO -0.00 0.10 2.96 0.18 -1.29 0.00 0.00 177.43 179.38 3g3b n LEU 100 N -2.19 6.78 0.03 1.61 4.77 -0.59 -4.34 117.00 123.07 3g3b n LEU 100 Ca 0.03 -4.20 -0.04 0.00 -0.03 0.00 0.00 56.01 51.77 3g3b n LEU 100 Cb 0.46 -1.64 0.19 0.00 -2.33 0.00 0.00 43.42 40.10 3g3b n LEU 100 CO 0.37 1.12 0.69 0.08 -1.33 0.00 0.00 177.39 178.33 3g3b h ARG 101 N 6.01 0.44 -0.20 3.23 0.11 -1.83 -3.00 114.38 119.13 3g3b h ARG 101 Ca 0.54 -0.18 0.00 0.00 0.10 0.00 0.00 59.98 60.44 3g3b h ARG 101 Cb 0.65 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3g3b h ARG 101 CO 1.84 0.70 0.00 0.43 0.10 0.00 0.00 179.97 183.05 3g3b n SER 102 N -4.09 0.65 -4.70 0.08 7.64 -1.18 -4.92 113.62 107.10 3g3b n SER 102 Ca -0.01 -2.02 -0.42 0.00 1.01 0.00 0.00 58.87 57.43 3g3b n SER 102 Cb 0.44 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 3g3b n SER 102 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3g3b s LEU 103 N -0.92 4.33 0.00 -3.43 2.96 -1.02 -3.82 118.68 116.79 3g3b s LEU 103 Ca 0.06 1.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.75 3g3b s LEU 103 Cb 0.04 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3g3b s LEU 103 CO 0.04 -0.43 0.00 0.35 -1.32 0.00 0.00 176.35 174.99 3g3b n THR 104 N 4.17 0.00 -4.07 3.68 -2.24 0.55 -5.00 114.28 111.38 3g3b n THR 104 Ca 0.08 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 3g3b n THR 104 Cb 0.48 -0.34 -0.16 0.00 -2.10 0.00 0.00 70.33 68.22 3g3b n THR 104 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g3b s HIS 105 N -1.73 0.50 -0.00 4.78 3.76 0.23 -4.63 115.29 118.20 3g3b s HIS 105 Ca 0.00 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 3g3b s HIS 105 Cb 0.00 -0.48 -0.00 0.00 1.11 0.00 0.00 32.58 33.21 3g3b s HIS 105 CO 0.00 -0.13 -0.03 -1.50 -0.85 0.00 0.00 174.74 172.23 3g3b s ILE 106 N 0.75 0.23 -0.21 0.60 2.07 -0.29 -1.24 121.20 123.11 3g3b s ILE 106 Ca -0.09 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.02 3g3b s ILE 106 Cb -0.12 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.28 3g3b s ILE 106 CO -0.01 0.07 -0.11 0.26 -1.91 0.00 0.00 174.94 173.24 3g3b s TRP 107 N -0.03 2.92 0.00 3.50 0.51 -0.76 -1.23 118.94 123.85 3g3b s TRP 107 Ca 0.01 -1.42 0.00 0.00 -2.12 0.00 0.00 56.10 52.57 3g3b s TRP 107 Cb -0.02 -2.01 0.00 0.00 -0.81 0.00 0.00 33.47 30.63 3g3b s TRP 107 CO -0.00 -0.71 0.08 1.28 -0.51 0.00 0.00 176.95 177.09 3g3b n LEU 108 N 4.68 0.16 -4.75 2.99 4.77 -1.26 -0.90 117.00 122.70 3g3b n LEU 108 Ca -0.19 -0.49 -0.31 0.00 -0.03 0.00 0.00 56.01 54.99 3g3b n LEU 108 Cb 0.49 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.69 3g3b n LEU 108 CO 0.27 0.04 0.69 -1.48 -1.33 0.00 0.00 177.39 175.58 3g3b s LEU 109 N -1.32 2.79 -1.23 2.23 2.34 -1.26 -4.14 118.68 118.10 3g3b s LEU 109 Ca 0.00 1.71 -0.02 0.00 0.06 0.00 0.00 54.13 55.89 3g3b s LEU 109 Cb 0.00 -4.33 0.00 0.00 -0.56 0.00 0.00 46.19 41.31 3g3b s LEU 109 CO 0.00 -2.21 1.01 0.59 -1.06 0.00 0.00 176.35 174.69 3g3b n ASN 110 N -3.62 -2.72 -4.13 1.48 3.02 -1.26 -2.12 115.26 105.91 3g3b n ASN 110 Ca 0.08 -0.62 -0.22 0.00 -0.03 0.00 0.00 54.58 53.79 3g3b n ASN 110 Cb 0.54 -5.04 -0.15 0.00 -0.61 0.00 0.00 39.78 34.52 3g3b n ASN 110 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3g3b s ASN 111 N -4.18 1.72 -1.22 6.41 -0.87 -1.26 -2.19 114.94 113.35 3g3b s ASN 111 Ca 0.10 -0.31 -0.20 0.00 -1.57 0.00 0.00 52.86 50.88 3g3b s ASN 111 Cb -0.05 -0.17 0.02 0.00 -0.02 0.00 0.00 41.25 41.03 3g3b s ASN 111 CO 0.74 0.15 1.77 -2.16 -2.57 0.00 0.00 177.10 175.02 3g3b s PRO 112 N -0.55 3.45 0.37 -0.60 0.04 -1.21 -4.68 135.00 131.82 3g3b s PRO 112 Ca 0.05 -1.58 -0.26 0.00 0.04 0.00 0.00 61.00 59.25 3g3b s PRO 112 Cb -0.06 -5.41 -0.09 0.00 0.04 0.00 0.00 34.50 28.98 3g3b s PRO 112 CO -0.00 -2.80 1.15 -1.58 0.04 0.00 0.00 177.00 173.81 3g3b s TRP 113 N 6.55 3.20 0.00 0.56 0.52 -1.25 -3.96 118.94 124.56 3g3b s TRP 113 Ca 0.58 1.58 0.00 0.00 0.02 0.00 0.00 56.10 58.28 3g3b s TRP 113 Cb 0.02 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 28.97 3g3b s TRP 113 CO 0.07 -1.12 0.11 -3.47 0.02 0.00 0.00 176.95 172.56 3g3b n ASP 114 N 0.39 0.00 0.00 2.95 -0.08 -0.54 -0.48 116.55 118.79 3g3b n ASP 114 Ca 0.03 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 3g3b n ASP 114 Cb 0.46 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.78 3g3b n ASP 114 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3g3b n ILE 120 N -0.93 0.00 0.04 5.18 0.13 -1.26 -4.93 119.36 117.59 3g3b n ILE 120 Ca 0.00 0.00 0.17 0.00 -1.10 0.00 0.00 62.75 61.82 3g3b n ILE 120 Cb 0.00 0.00 0.66 0.00 -0.84 0.00 0.00 39.64 39.46 3g3b n ILE 120 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3g3b h LEU 121 N 0.00 0.04 -0.68 9.51 3.38 -1.98 0.15 115.31 125.73 3g3b h LEU 121 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3g3b h LEU 121 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3g3b h LEU 121 CO 0.00 0.02 0.12 0.22 0.09 0.00 0.00 178.44 178.89 3g3b h TYR 122 N 0.04 1.18 0.01 1.13 3.20 -1.97 -2.67 116.97 117.89 3g3b h TYR 122 Ca 0.21 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3g3b h TYR 122 Cb 0.80 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3g3b h TYR 122 CO -0.00 0.98 -0.11 1.25 -1.64 0.00 0.00 178.16 178.64 3g3b h LEU 123 N 1.04 0.08 -0.91 2.82 5.85 -1.07 0.33 115.31 123.45 3g3b h LEU 123 Ca 0.21 -0.90 0.23 0.00 0.84 0.00 0.00 57.88 58.26 3g3b h LEU 123 Cb 0.43 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.31 3g3b h LEU 123 CO 0.01 0.97 0.41 -1.28 -0.34 0.00 0.00 178.44 178.21 3g3b h SER 124 N -0.80 0.35 0.53 1.25 0.87 -1.27 -1.24 113.55 113.23 3g3b h SER 124 Ca -0.02 0.16 -0.24 0.00 -1.23 0.00 0.00 61.79 60.46 3g3b h SER 124 Cb 1.00 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3g3b h SER 124 CO 0.02 -0.01 -1.04 -0.09 -0.53 0.00 0.00 176.83 175.19 3g3b h ARG 125 N 0.40 0.29 -0.19 2.24 2.43 -1.50 -3.29 114.38 114.76 3g3b h ARG 125 Ca 0.58 -0.38 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 3g3b h ARG 125 Cb 1.11 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3g3b h ARG 125 CO -0.54 1.11 -0.59 2.35 -1.51 0.00 0.00 179.97 180.79 3g3b h TRP 126 N 0.14 0.80 0.13 2.20 7.01 0.10 -2.55 115.95 123.78 3g3b h TRP 126 Ca -0.09 -0.30 -0.01 0.00 2.11 0.00 0.00 58.89 60.61 3g3b h TRP 126 Cb 1.71 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 28.62 3g3b h TRP 126 CO 0.05 1.07 -0.06 0.82 -2.79 0.00 0.00 178.44 177.52 3g3b h ILE 127 N 0.48 0.97 -1.00 2.65 2.04 -1.42 -1.97 117.51 119.25 3g3b h ILE 127 Ca -0.00 -0.39 0.24 0.00 1.00 0.00 0.00 64.86 65.71 3g3b h ILE 127 Cb 1.16 1.21 -0.12 0.00 -0.74 0.00 0.00 36.82 38.33 3g3b h ILE 127 CO 0.12 0.09 0.59 0.28 0.00 0.00 0.00 178.15 179.23 3g3b h SER 128 N -0.36 0.68 1.35 1.72 0.02 -1.62 -1.39 113.55 113.95 3g3b h SER 128 Ca -0.02 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3g3b h SER 128 Cb 0.29 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3g3b h SER 128 CO 0.03 0.12 -0.16 1.56 -1.14 0.00 0.00 176.83 177.24 3g3b h GLN 129 N 0.60 0.00 -1.78 3.45 4.20 -1.21 -3.38 115.11 116.98 3g3b h GLN 129 Ca 0.64 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.87 3g3b h GLN 129 Cb 1.18 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.56 3g3b h GLN 129 CO -0.47 0.16 -1.10 0.72 -0.67 0.00 0.00 178.83 177.48 3g3b n HIS 130 N -3.21 1.11 1.26 2.96 8.25 -0.54 -4.96 115.22 120.08 3g3b n HIS 130 Ca 0.02 -3.57 0.11 0.00 -0.26 0.00 0.00 57.72 54.01 3g3b n HIS 130 Cb 0.49 -0.40 0.61 0.00 1.12 0.00 0.00 29.99 31.81 3g3b n HIS 130 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3g3b n PRO 131 N 0.09 0.57 -0.03 -0.41 -0.04 -1.11 -1.90 135.00 132.17 3g3b n PRO 131 Ca 0.23 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 3g3b n PRO 131 Cb 0.66 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 33.05 3g3b n PRO 131 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3g3b n TRP 132 N -1.08 0.08 -0.03 0.54 2.14 -1.26 -4.63 117.44 113.20 3g3b n TRP 132 Ca 0.15 -0.04 -0.01 0.00 2.07 0.00 0.00 57.50 59.66 3g3b n TRP 132 Cb 0.10 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.52 3g3b n TRP 132 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3g3b n LEU 133 N 0.36 0.00 -4.66 5.67 4.77 -0.80 -4.93 117.00 117.42 3g3b n LEU 133 Ca 0.18 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 3g3b n LEU 133 Cb 0.38 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 3g3b n LEU 133 CO 0.15 0.16 0.42 -0.69 -1.33 0.00 0.00 177.39 176.10 3g3b s VAL 134 N -2.46 4.99 0.06 4.08 1.01 -1.26 -1.14 120.40 125.69 3g3b s VAL 134 Ca -0.05 1.27 0.09 0.00 0.00 0.00 0.00 61.98 63.29 3g3b s VAL 134 Cb 0.05 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3g3b s VAL 134 CO 0.44 0.09 -0.23 -0.36 0.00 0.00 0.00 175.10 175.04 3g3b s PHE 135 N 1.98 2.41 0.00 5.22 0.40 -0.37 -1.30 117.98 126.32 3g3b s PHE 135 Ca 0.30 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 3g3b s PHE 135 Cb -0.16 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 41.98 3g3b s PHE 135 CO 0.11 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.65 3g3b n GLY 136 N 1.53 1.79 0.00 4.36 0.00 -1.02 -4.44 105.19 107.41 3g3b n GLY 136 Ca -0.17 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.12 3g3b n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3g3b n TYR 137 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.67 117.16 116.85 3g3b n TYR 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3g3b n TYR 137 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 3g3b n TYR 137 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g3b n LEU 138 N -1.25 0.00 0.00 7.72 4.77 -1.26 -5.17 117.00 121.81 3g3b n LEU 138 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3g3b n LEU 138 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3g3b n LEU 138 CO 0.18 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.83 3g3b n ASN 139 N 0.00 0.08 -4.67 -1.43 3.02 -1.26 -5.03 115.26 105.97 3g3b n ASN 139 Ca 0.00 0.00 -0.54 0.00 -0.03 0.00 0.00 54.58 54.01 3g3b n ASN 139 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3g3b n ASN 139 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3g3b n LEU 140 N 0.00 2.39 -3.13 3.41 7.94 -1.26 -2.44 117.00 123.91 3g3b n LEU 140 Ca 0.00 1.07 -0.06 0.00 -1.11 0.00 0.00 56.01 55.91 3g3b n LEU 140 Cb 0.00 -1.21 -0.02 0.00 0.53 0.00 0.00 43.42 42.71 3g3b n LEU 140 CO 0.00 -0.54 0.02 -0.62 -1.11 0.00 0.00 177.39 175.14 3g3b s ASP 141 N 2.51 -0.77 0.00 1.96 -1.08 -0.42 -4.84 116.67 114.04 3g3b s ASP 141 Ca 0.92 -1.37 0.12 0.00 -0.52 0.00 0.00 52.55 51.70 3g3b s ASP 141 Cb -0.95 1.50 0.69 0.00 -1.46 0.00 0.00 42.92 42.70 3g3b s ASP 141 CO 0.56 -0.15 1.14 0.00 0.52 0.00 0.00 175.17 177.23 3g3b n HIS 142 N 3.86 0.00 0.42 -5.34 1.44 -1.22 -1.29 115.22 113.08 3g3b n HIS 142 Ca 0.14 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.97 3g3b n HIS 142 Cb 0.54 -0.02 0.07 0.00 0.12 0.00 0.00 29.99 30.70 3g3b n HIS 142 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3g3b n ASP 143 N -1.02 0.70 0.05 4.39 9.92 -1.26 -4.58 116.55 124.76 3g3b n ASP 143 Ca 0.08 0.09 0.07 0.00 -0.53 0.00 0.00 54.79 54.51 3g3b n ASP 143 Cb 0.04 0.47 0.51 0.00 -0.64 0.00 0.00 41.12 41.50 3g3b n ASP 143 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3g3b h SER 144 N 0.00 0.30 -2.18 -2.24 4.64 -1.57 -3.36 113.55 109.14 3g3b h SER 144 Ca 0.00 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 3g3b h SER 144 Cb 0.82 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 3g3b h SER 144 CO 0.00 0.21 1.35 0.00 -0.87 0.00 0.00 176.83 177.52 3g3b s ALA 145 N -5.33 2.35 0.08 5.18 0.00 -1.26 -4.39 121.76 118.39 3g3b s ALA 145 Ca -0.07 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.68 3g3b s ALA 145 Cb 0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 3g3b s ALA 145 CO 0.72 -3.53 -0.19 1.03 0.00 0.00 0.00 175.76 173.79 3g3b s ARG 146 N 6.68 1.89 0.28 0.00 0.52 -1.26 -1.30 118.95 125.77 3g3b s ARG 146 Ca 0.74 -1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 3g3b s ARG 146 Cb -0.16 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.08 3g3b s ARG 146 CO 0.25 0.51 1.22 0.00 0.02 0.00 0.00 175.30 177.30 3g3b s SER 148 N -0.49 6.60 0.00 0.00 1.04 0.37 -0.86 113.70 120.36 3g3b s SER 148 Ca 0.48 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.39 3g3b s SER 148 Cb -0.36 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.13 3g3b s SER 148 CO 0.45 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3g3b n GLY 149 N 0.74 2.12 0.17 7.32 0.00 -1.26 -4.55 105.19 109.73 3g3b n GLY 149 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 3g3b n GLY 149 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g3b h THR 150 N 0.00 1.39 -0.45 2.61 1.35 -1.98 -3.47 112.91 112.35 3g3b h THR 150 Ca 0.00 -2.13 -0.12 0.00 -0.55 0.00 0.00 66.41 63.61 3g3b h THR 150 Cb 0.00 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 3g3b h THR 150 CO 0.00 0.64 -0.12 -3.20 -0.25 0.00 0.00 175.52 172.58 3g3b n ASN 151 N -3.83 -3.29 -4.86 5.36 2.85 -0.04 -5.01 115.26 106.43 3g3b n ASN 151 Ca -0.04 0.10 -0.32 0.00 -0.11 0.00 0.00 54.58 54.21 3g3b n ASN 151 Cb 0.69 -1.73 -0.06 0.00 1.24 0.00 0.00 39.78 39.92 3g3b n ASN 151 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3g3b s THR 152 N -2.24 4.82 0.05 -0.44 -4.23 -1.26 -4.72 115.64 107.62 3g3b s THR 152 Ca 0.00 0.68 -0.37 0.00 -1.18 0.00 0.00 61.69 60.82 3g3b s THR 152 Cb 0.00 -3.61 -0.17 0.00 1.34 0.00 0.00 72.50 70.06 3g3b s THR 152 CO 0.00 -0.12 1.38 -2.65 -0.54 0.00 0.00 174.62 172.68 3g3b n PRO 153 N -0.25 1.14 0.29 3.99 -0.02 -1.26 -0.60 135.00 138.30 3g3b n PRO 153 Ca 0.02 0.41 0.16 0.00 -2.02 0.00 0.00 63.50 62.07 3g3b n PRO 153 Cb 0.53 -2.06 0.91 0.00 -0.02 0.00 0.00 33.50 32.86 3g3b n PRO 153 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g3b h VAL 154 N 3.51 0.37 -0.08 -1.45 2.07 -1.48 -2.67 116.25 116.52 3g3b h VAL 154 Ca -0.48 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 3g3b h VAL 154 Cb 1.34 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3g3b h VAL 154 CO 0.79 0.04 -0.60 0.08 0.02 0.00 0.00 177.57 177.91 3g3b h ARG 155 N 0.00 0.25 0.00 1.57 0.11 -1.81 -3.22 114.38 111.29 3g3b h ARG 155 Ca -0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 59.98 59.89 3g3b h ARG 155 Cb 0.16 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 3g3b h ARG 155 CO 0.01 0.77 -0.10 0.00 0.10 0.00 0.00 179.97 180.74 3g3b h ALA 156 N 1.19 1.02 -2.31 0.08 0.00 -1.79 -3.46 119.26 113.98 3g3b h ALA 156 Ca -0.00 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.27 3g3b h ALA 156 Cb 1.10 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.89 3g3b h ALA 156 CO 0.09 0.13 1.27 0.28 0.00 0.00 0.00 179.25 181.02 3g3b n VAL 157 N -3.24 0.73 -3.89 0.00 0.31 -1.22 -5.00 118.33 106.02 3g3b n VAL 157 Ca 0.00 -0.18 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 3g3b n VAL 157 Cb 0.37 -2.35 -0.02 0.00 -0.91 0.00 0.00 33.84 30.93 3g3b n VAL 157 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3g3b s THR 158 N 4.93 5.25 0.26 2.52 -4.23 -1.26 -4.94 115.64 118.17 3g3b s THR 158 Ca 0.90 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 60.54 3g3b s THR 158 Cb -0.42 -3.84 0.24 0.00 1.34 0.00 0.00 72.50 69.82 3g3b s THR 158 CO 0.41 -0.32 1.78 0.50 -0.54 0.00 0.00 174.62 176.46 3g3b h LYS 159 N 1.29 0.69 0.00 3.99 3.64 -1.97 -2.34 116.57 121.87 3g3b h LYS 159 Ca -0.51 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3g3b h LYS 159 Cb 1.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3g3b h LYS 159 CO 0.62 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 178.26 3g3b n ALA 160 N -2.40 1.54 0.09 5.00 0.00 -1.26 -1.02 120.51 122.46 3g3b n ALA 160 Ca 0.16 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.62 3g3b n ALA 160 Cb 0.38 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3g3b n ALA 160 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g3b n SER 161 N -0.82 2.07 -4.92 0.00 3.41 -0.88 -5.06 113.62 107.42 3g3b n SER 161 Ca 0.01 -0.31 -0.26 0.00 -0.26 0.00 0.00 58.87 58.05 3g3b n SER 161 Cb 0.00 1.09 0.04 0.00 -0.26 0.00 0.00 64.21 65.08 3g3b n SER 161 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3g3b s THR 162 N -1.80 3.24 -0.20 6.66 -4.23 -0.19 -5.06 115.64 114.06 3g3b s THR 162 Ca 0.00 -0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 3g3b s THR 162 Cb 0.03 -3.31 0.07 0.00 1.34 0.00 0.00 72.50 70.63 3g3b s THR 162 CO 0.16 -0.31 0.08 -0.55 -0.54 0.00 0.00 174.62 173.46 3g3b s SER 163 N -4.37 2.69 0.00 3.99 0.15 -1.26 -5.06 113.70 109.85 3g3b s SER 163 Ca 0.56 -0.79 0.08 0.00 0.70 0.00 0.00 55.95 56.50 3g3b s SER 163 Cb -0.11 -0.36 0.46 0.00 -1.71 0.00 0.00 66.02 64.31 3g3b s SER 163 CO 0.44 -0.35 0.91 -0.81 1.20 0.00 0.00 173.24 174.63