#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3a s PRO 3 N -1.92 3.99 0.20 0.00 0.02 -1.25 -4.92 135.00 131.11 3g3a s PRO 3 Ca 0.51 2.13 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 3g3a s PRO 3 Cb -0.41 -2.76 0.24 0.00 0.02 0.00 0.00 34.50 31.59 3g3a s PRO 3 CO 0.54 -0.47 1.31 0.43 -0.33 0.00 0.00 177.00 178.48 3g3a n SER 4 N 0.15 -0.50 0.27 2.53 7.64 -1.26 -1.34 113.62 121.11 3g3a n SER 4 Ca 0.04 1.46 0.16 0.00 1.01 0.00 0.00 58.87 61.54 3g3a n SER 4 Cb 0.44 -0.36 0.72 0.00 -1.01 0.00 0.00 64.21 64.00 3g3a n SER 4 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3g3a h GLN 5 N 0.00 0.00 -6.10 1.43 7.50 -1.96 -3.47 115.11 112.51 3g3a h GLN 5 Ca 0.32 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.95 3g3a h GLN 5 Cb 0.53 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.01 3g3a h GLN 5 CO -0.84 0.05 -0.37 0.00 -1.50 0.00 0.00 178.83 176.17 3g3a s SER 7 N -4.14 5.07 0.19 0.00 0.01 0.23 -4.79 113.70 110.27 3g3a s SER 7 Ca 0.45 0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.83 3g3a s SER 7 Cb -0.02 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 3g3a s SER 7 CO 0.26 0.32 -0.16 0.00 0.41 0.00 0.00 173.24 174.07 3g3a s SER 9 N -3.01 -0.45 0.79 0.00 0.15 -0.72 -5.01 113.70 105.46 3g3a s SER 9 Ca 0.19 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3g3a s SER 9 Cb -0.03 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 3g3a s SER 9 CO 0.07 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.03 3g3a n GLY 10 N 4.49 2.09 0.55 9.45 0.00 -1.26 -1.57 105.19 118.95 3g3a n GLY 10 Ca -0.11 0.44 0.05 0.00 0.00 0.00 0.00 46.02 46.39 3g3a n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g3a n THR 11 N 0.00 1.07 -3.85 2.61 -2.24 -1.26 -4.97 114.28 105.64 3g3a n THR 11 Ca 0.00 -1.06 -0.37 0.00 -2.27 0.00 0.00 64.05 60.36 3g3a n THR 11 Cb 0.00 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 3g3a n THR 11 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g3a s THR 12 N -1.11 5.49 -0.18 4.28 2.01 -0.61 -0.64 115.64 124.88 3g3a s THR 12 Ca 0.21 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 3g3a s THR 12 Cb 0.12 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.26 3g3a s THR 12 CO 0.13 0.59 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.90 3g3a s VAL 13 N -0.81 1.23 -0.40 3.82 1.01 0.60 -1.75 120.40 124.10 3g3a s VAL 13 Ca 0.14 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 3g3a s VAL 13 Cb -0.12 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3g3a s VAL 13 CO 0.03 0.08 0.28 -0.62 0.00 0.00 0.00 175.10 174.87 3g3a s ASP 14 N 1.57 6.03 -0.33 3.32 2.15 0.14 -1.96 116.67 127.58 3g3a s ASP 14 Ca -0.01 -0.94 0.07 0.00 0.43 0.00 0.00 52.55 52.10 3g3a s ASP 14 Cb -0.16 -2.13 0.50 0.00 -0.30 0.00 0.00 42.92 40.83 3g3a s ASP 14 CO -0.08 -0.44 1.48 0.00 -0.17 0.00 0.00 175.17 175.96 3g3a s SER 16 N -2.65 6.48 -0.78 0.00 1.04 -1.18 -4.40 113.70 112.21 3g3a s SER 16 Ca 0.48 0.54 -0.03 0.00 0.48 0.00 0.00 55.95 57.42 3g3a s SER 16 Cb 0.42 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.46 3g3a s SER 16 CO 0.00 0.25 0.40 0.61 0.98 0.00 0.00 173.24 175.48 3g3a n GLY 17 N 1.10 0.09 0.07 7.32 0.00 -0.92 -4.91 105.19 107.94 3g3a n GLY 17 Ca -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.64 3g3a n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g3a n LYS 18 N -2.55 0.86 -2.53 1.61 5.02 -1.25 -5.01 118.16 114.31 3g3a n LYS 18 Ca -0.04 -1.02 -0.13 0.00 -2.02 0.00 0.00 58.31 55.11 3g3a n LYS 18 Cb 0.55 -1.03 0.01 0.00 -0.02 0.00 0.00 35.03 34.54 3g3a n LYS 18 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3g3a n SER 19 N -0.12 -4.06 -4.80 4.39 7.64 -1.26 -4.99 113.62 110.42 3g3a n SER 19 Ca 0.01 -0.11 -0.36 0.00 1.01 0.00 0.00 58.87 59.42 3g3a n SER 19 Cb 0.14 -3.06 -0.06 0.00 -1.01 0.00 0.00 64.21 60.21 3g3a n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g3a s LEU 20 N -3.84 4.27 -0.02 -3.43 1.43 -1.26 -4.68 118.68 111.15 3g3a s LEU 20 Ca 0.11 1.64 0.20 0.00 -1.03 0.00 0.00 54.13 55.06 3g3a s LEU 20 Cb -0.05 -3.95 -0.31 0.00 0.03 0.00 0.00 46.19 41.92 3g3a s LEU 20 CO 0.14 -0.08 0.49 0.00 0.23 0.00 0.00 176.35 177.13 3g3a n ALA 21 N 0.40 2.95 -3.06 4.21 0.00 -1.26 -0.33 120.51 123.41 3g3a n ALA 21 Ca 0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 3g3a n ALA 21 Cb 0.51 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 3g3a n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g3a s SER 22 N -4.19 0.04 0.08 0.00 1.04 -1.26 -3.73 113.70 105.67 3g3a s SER 22 Ca -0.06 -1.04 -0.31 0.00 0.48 0.00 0.00 55.95 55.03 3g3a s SER 22 Cb 0.13 0.58 -0.08 0.00 0.10 0.00 0.00 66.02 66.75 3g3a s SER 22 CO 0.84 -1.14 1.51 -0.69 0.98 0.00 0.00 173.24 174.75 3g3a s VAL 23 N -3.90 3.22 0.66 5.02 1.01 -1.26 -4.97 120.40 120.18 3g3a s VAL 23 Ca 0.25 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 3g3a s VAL 23 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3g3a s VAL 23 CO 0.11 0.02 1.22 -2.84 0.00 0.00 0.00 175.10 173.61 3g3a s PRO 24 N 1.97 2.53 0.36 2.72 0.02 -1.26 -5.00 135.00 136.35 3g3a s PRO 24 Ca 0.68 1.83 -0.24 0.00 0.02 0.00 0.00 61.00 63.29 3g3a s PRO 24 Cb -0.37 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.17 3g3a s PRO 24 CO 0.30 -1.56 0.95 -0.08 -0.33 0.00 0.00 177.00 176.28 3g3a s THR 25 N -1.75 4.28 0.00 0.99 -1.32 -1.26 -4.39 115.64 112.20 3g3a s THR 25 Ca 0.77 1.69 0.00 0.00 -1.21 0.00 0.00 61.69 62.94 3g3a s THR 25 Cb -0.31 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 66.83 3g3a s THR 25 CO 0.40 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 3g3a n GLY 26 N 0.09 1.05 3.67 6.08 0.00 -1.26 -4.61 105.19 110.22 3g3a n GLY 26 Ca 0.04 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3g3a n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g3a s ILE 27 N -2.10 4.39 0.47 -0.61 -1.09 -1.26 -3.93 121.20 117.07 3g3a s ILE 27 Ca 0.00 1.69 -0.24 0.00 -2.23 0.00 0.00 60.65 59.88 3g3a s ILE 27 Cb 0.00 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 3g3a s ILE 27 CO 0.00 -0.08 1.25 -2.65 -1.23 0.00 0.00 174.94 172.23 3g3a n PRO 28 N 5.84 1.76 0.00 2.79 -0.02 -1.26 -4.84 135.00 139.27 3g3a n PRO 28 Ca 0.12 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3g3a n PRO 28 Cb 0.46 -2.39 0.66 0.00 -0.02 0.00 0.00 33.50 32.21 3g3a n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g3a n THR 29 N -0.54 0.15 1.20 3.45 -2.24 -1.26 -1.81 114.28 113.23 3g3a n THR 29 Ca 0.08 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 3g3a n THR 29 Cb 0.41 -0.61 0.44 0.00 -2.10 0.00 0.00 70.33 68.48 3g3a n THR 29 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g3a n THR 30 N -1.28 0.00 -1.62 4.28 -2.24 -1.26 -4.50 114.28 107.66 3g3a n THR 30 Ca 0.13 -0.06 -0.50 0.00 -2.27 0.00 0.00 64.05 61.35 3g3a n THR 30 Cb 0.21 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 3g3a n THR 30 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3g3a n THR 31 N -1.08 0.02 -0.08 4.28 -1.04 -0.75 -4.90 114.28 110.74 3g3a n THR 31 Ca 0.10 -0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.05 3g3a n THR 31 Cb 0.32 -1.07 -0.14 0.00 -1.82 0.00 0.00 70.33 67.62 3g3a n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g3a n GLN 32 N 2.95 1.07 -4.14 -2.82 6.02 0.18 -2.81 117.38 117.83 3g3a n GLN 32 Ca 0.18 -0.03 -0.24 0.00 -0.01 0.00 0.00 57.00 56.90 3g3a n GLN 32 Cb 0.22 -1.45 -0.17 0.00 1.02 0.00 0.00 30.24 29.86 3g3a n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g3a s VAL 33 N -2.54 0.88 -0.27 5.09 1.01 -0.99 0.31 120.40 123.90 3g3a s VAL 33 Ca -0.08 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3g3a s VAL 33 Cb 0.06 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.63 3g3a s VAL 33 CO 0.73 0.32 -0.02 -0.22 0.00 0.00 0.00 175.10 175.91 3g3a s LEU 34 N 1.28 3.09 -0.40 3.92 2.96 -0.92 -0.30 118.68 128.31 3g3a s LEU 34 Ca -0.04 -1.48 -0.20 0.00 -0.22 0.00 0.00 54.13 52.19 3g3a s LEU 34 Cb -0.14 -1.27 0.01 0.00 0.50 0.00 0.00 46.19 45.29 3g3a s LEU 34 CO -0.03 -0.29 0.61 -0.31 -1.32 0.00 0.00 176.35 175.02 3g3a s TYR 35 N 1.29 3.11 -0.25 5.38 2.02 -0.83 -1.96 117.35 126.11 3g3a s TYR 35 Ca -0.00 0.07 0.09 0.00 -0.37 0.00 0.00 57.07 56.85 3g3a s TYR 35 Cb -0.19 -3.21 0.20 0.00 -0.40 0.00 0.00 41.96 38.37 3g3a s TYR 35 CO -0.09 -0.75 1.15 1.28 -1.57 0.00 0.00 175.55 175.57 3g3a n LEU 36 N 6.09 2.53 -4.81 -1.29 4.77 -0.02 -0.34 117.00 123.93 3g3a n LEU 36 Ca -0.02 -2.39 -0.32 0.00 -0.03 0.00 0.00 56.01 53.25 3g3a n LEU 36 Cb 0.48 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3g3a n LEU 36 CO 0.51 0.62 0.71 -0.72 -1.33 0.00 0.00 177.39 177.18 3g3a s TYR 37 N -1.68 3.09 -0.94 -1.77 -0.85 -1.09 -4.11 117.35 110.00 3g3a s TYR 37 Ca 0.18 1.47 -0.03 0.00 -0.52 0.00 0.00 57.07 58.17 3g3a s TYR 37 Cb 0.14 -2.94 -0.03 0.00 0.38 0.00 0.00 41.96 39.50 3g3a s TYR 37 CO 0.05 -1.07 0.80 -3.47 -1.52 0.00 0.00 175.55 170.34 3g3a n ASP 38 N -2.36 -4.25 0.00 -0.18 2.03 -0.96 -2.36 116.55 108.48 3g3a n ASP 38 Ca 0.08 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.83 3g3a n ASP 38 Cb 0.53 -4.43 0.00 0.00 -0.72 0.00 0.00 41.12 36.50 3g3a n ASP 38 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3g3a n ASN 39 N -2.88 0.71 -2.50 1.67 5.03 -0.99 -2.15 115.26 114.15 3g3a n ASN 39 Ca -0.14 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.19 3g3a n ASN 39 Cb 0.62 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.41 3g3a n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g3a n GLN 40 N 0.00 2.47 -2.34 3.52 6.02 0.55 -4.30 117.38 123.29 3g3a n GLN 40 Ca 0.00 -3.80 -0.43 0.00 -0.01 0.00 0.00 57.00 52.76 3g3a n GLN 40 Cb 0.00 -1.85 -0.02 0.00 1.02 0.00 0.00 30.24 29.38 3g3a n GLN 40 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g3a s ILE 41 N -4.17 4.13 -0.22 5.09 1.01 -1.11 -4.48 121.20 121.46 3g3a s ILE 41 Ca 0.37 1.38 0.13 0.00 0.00 0.00 0.00 60.65 62.53 3g3a s ILE 41 Cb 0.38 -3.89 -0.22 0.00 0.01 0.00 0.00 42.46 38.74 3g3a s ILE 41 CO -0.02 -0.11 -0.03 0.35 0.00 0.00 0.00 174.94 175.13 3g3a n THR 42 N 5.30 1.42 -3.85 2.92 -2.24 -1.24 -1.70 114.28 114.88 3g3a n THR 42 Ca 0.14 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 3g3a n THR 42 Cb 0.44 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.75 3g3a n THR 42 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g3a s LYS 43 N -2.50 -0.00 -0.00 -0.78 -0.14 -1.26 -2.38 119.74 112.67 3g3a s LYS 43 Ca -0.18 0.03 -0.08 0.00 -1.36 0.00 0.00 55.97 54.38 3g3a s LYS 43 Cb 0.07 -0.03 -0.05 0.00 -1.68 0.00 0.00 37.83 36.14 3g3a s LYS 43 CO 0.75 -0.03 0.28 -0.51 -0.76 0.00 0.00 175.35 175.09 3g3a s LEU 44 N 0.16 4.38 0.30 3.17 1.43 -1.26 -4.82 118.68 122.04 3g3a s LEU 44 Ca -0.01 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 3g3a s LEU 44 Cb -0.02 -2.62 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 3g3a s LEU 44 CO -0.00 0.27 1.19 -1.61 0.23 0.00 0.00 176.35 176.42 3g3a s GLU 45 N -1.61 4.52 0.29 1.70 0.41 -1.26 -4.65 118.70 118.11 3g3a s GLU 45 Ca 0.26 1.98 -0.30 0.00 -0.41 0.00 0.00 54.97 56.50 3g3a s GLU 45 Cb -0.14 -3.14 -0.12 0.00 -1.78 0.00 0.00 34.13 28.95 3g3a s GLU 45 CO 0.14 0.04 1.49 -2.30 -0.49 0.00 0.00 175.26 174.15 3g3a n PRO 46 N 1.04 2.43 -1.00 0.39 -0.02 -1.26 -1.97 135.00 134.61 3g3a n PRO 46 Ca -0.01 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3g3a n PRO 46 Cb 0.43 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3g3a n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3a n GLY 47 N 1.79 0.99 0.43 -1.23 0.00 -1.26 -4.93 105.19 100.97 3g3a n GLY 47 Ca 0.08 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.33 3g3a n GLY 47 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3a h VAL 48 N 0.00 0.61 -0.07 1.61 3.04 -1.73 -1.92 116.25 117.79 3g3a h VAL 48 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3g3a h VAL 48 Cb 0.00 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 3g3a h VAL 48 CO 0.00 0.05 0.00 0.49 -1.01 0.00 0.00 177.57 177.10 3g3a n PHE 49 N -4.44 0.07 0.02 3.17 3.72 -1.26 -4.65 117.46 114.08 3g3a n PHE 49 Ca 0.20 -0.04 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 3g3a n PHE 49 Cb 0.82 -0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.88 3g3a n PHE 49 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3a h ASP 50 N 3.65 0.30 1.11 4.37 5.19 -1.62 0.72 116.42 130.14 3g3a h ASP 50 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g3a h ASP 50 Cb 0.79 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.24 3g3a h ASP 50 CO 0.00 0.20 0.00 -2.11 -3.12 0.00 0.00 179.24 174.21 3g3a n ARG 51 N -4.48 0.08 -2.13 3.56 1.85 -1.26 -4.34 116.66 109.95 3g3a n ARG 51 Ca 0.05 0.08 -0.40 0.00 -1.00 0.00 0.00 57.85 56.59 3g3a n ARG 51 Cb 0.24 -1.60 0.03 0.00 -1.05 0.00 0.00 32.46 30.09 3g3a n ARG 51 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3g3a n LEU 52 N -1.74 7.46 0.00 2.89 4.77 0.24 -4.73 117.00 125.89 3g3a n LEU 52 Ca 0.06 -4.98 0.05 0.00 -0.03 0.00 0.00 56.01 51.12 3g3a n LEU 52 Cb 0.36 -1.11 0.25 0.00 -2.33 0.00 0.00 43.42 40.59 3g3a n LEU 52 CO 0.27 1.85 0.67 0.35 -1.33 0.00 0.00 177.39 179.20 3g3a n THR 53 N -0.30 1.09 1.01 -5.08 -2.24 -1.26 -1.97 114.28 105.53 3g3a n THR 53 Ca 0.52 0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.68 3g3a n THR 53 Cb 0.25 -1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 67.35 3g3a n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g3a n GLN 54 N -1.44 0.39 -1.67 -0.78 1.13 -1.26 -4.46 117.38 109.29 3g3a n GLN 54 Ca 0.03 -0.32 -0.55 0.00 -1.94 0.00 0.00 57.00 54.23 3g3a n GLN 54 Cb 0.12 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.91 3g3a n GLN 54 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3g3a n LEU 55 N -1.02 2.30 -0.00 1.08 4.77 -0.83 -4.45 117.00 118.84 3g3a n LEU 55 Ca 0.06 1.08 0.07 0.00 -0.03 0.00 0.00 56.01 57.19 3g3a n LEU 55 Cb 0.37 -1.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 3g3a n LEU 55 CO 0.38 -0.57 -0.48 0.35 -1.33 0.00 0.00 177.39 175.74 3g3a n THR 56 N 4.02 0.00 -3.81 -5.08 -2.24 0.15 -2.28 114.28 105.04 3g3a n THR 56 Ca 0.24 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3g3a n THR 56 Cb 0.17 0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 68.69 3g3a n THR 56 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g3a s ARG 57 N -2.81 0.14 -0.11 -0.78 3.52 -1.00 0.47 118.95 118.37 3g3a s ARG 57 Ca -0.02 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.77 3g3a s ARG 57 Cb 0.10 0.02 0.05 0.00 -1.56 0.00 0.00 34.95 33.56 3g3a s ARG 57 CO 0.60 -0.05 0.11 -1.17 -0.81 0.00 0.00 175.30 173.99 3g3a s LEU 58 N 0.30 0.13 -0.37 -0.88 2.96 -0.43 -2.18 118.68 118.21 3g3a s LEU 58 Ca -0.02 -0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 3g3a s LEU 58 Cb -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 46.19 46.64 3g3a s LEU 58 CO -0.01 -0.29 0.25 -1.81 -1.32 0.00 0.00 176.35 173.17 3g3a s ASP 59 N 2.21 6.02 -0.04 3.68 1.11 -0.83 -1.29 116.67 127.53 3g3a s ASP 59 Ca 0.04 -0.64 0.07 0.00 0.18 0.00 0.00 52.55 52.20 3g3a s ASP 59 Cb -0.14 -2.13 0.14 0.00 1.07 0.00 0.00 42.92 41.87 3g3a s ASP 59 CO -0.07 -0.32 1.10 0.18 1.18 0.00 0.00 175.17 177.24 3g3a n LEU 60 N 5.11 2.35 -4.86 1.23 4.77 0.48 -0.84 117.00 125.25 3g3a n LEU 60 Ca -0.12 -2.28 -0.31 0.00 -0.03 0.00 0.00 56.01 53.27 3g3a n LEU 60 Cb 0.48 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3g3a n LEU 60 CO 0.38 0.59 0.60 1.51 -1.33 0.00 0.00 177.39 179.15 3g3a s ASP 61 N -1.43 6.52 -0.76 -1.43 1.47 -1.08 -4.14 116.67 115.81 3g3a s ASP 61 Ca 0.13 1.39 -0.01 0.00 1.18 0.00 0.00 52.55 55.23 3g3a s ASP 61 Cb 0.10 -2.43 0.00 0.00 -0.34 0.00 0.00 42.92 40.24 3g3a s ASP 61 CO 0.04 -0.57 0.64 0.59 0.68 0.00 0.00 175.17 176.56 3g3a n ASN 62 N -1.69 -2.72 0.00 2.11 3.02 -0.81 -2.26 115.26 112.92 3g3a n ASN 62 Ca 0.05 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3g3a n ASN 62 Cb 0.54 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 3g3a n ASN 62 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3g3a n ASN 63 N -2.04 0.90 -0.45 6.41 4.13 -1.10 -2.34 115.26 120.77 3g3a n ASN 63 Ca -0.13 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.20 3g3a n ASN 63 Cb 0.59 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 39.01 3g3a n ASN 63 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g3a n GLN 64 N 0.00 1.43 -1.68 3.52 6.02 -0.69 -4.21 117.38 121.78 3g3a n GLN 64 Ca 0.00 -3.01 -0.46 0.00 -0.01 0.00 0.00 57.00 53.51 3g3a n GLN 64 Cb 0.00 -1.53 -0.04 0.00 1.02 0.00 0.00 30.24 29.69 3g3a n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3g3a n LEU 65 N -1.17 3.59 -0.11 1.08 4.77 -0.72 -4.39 117.00 120.04 3g3a n LEU 65 Ca 0.18 0.98 -0.12 0.00 -0.03 0.00 0.00 56.01 57.01 3g3a n LEU 65 Cb 0.68 -1.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.20 3g3a n LEU 65 CO -0.02 -0.02 -1.20 0.35 -1.33 0.00 0.00 177.39 175.17 3g3a n THR 66 N 4.88 1.42 -3.78 -5.08 -2.24 -1.00 0.26 114.28 108.74 3g3a n THR 66 Ca 0.21 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 3g3a n THR 66 Cb 0.32 -0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 67.75 3g3a n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g3a s VAL 67 N -2.50 0.06 -0.06 2.28 0.11 -1.26 -3.98 120.40 115.05 3g3a s VAL 67 Ca -0.16 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 3g3a s VAL 67 Cb 0.07 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 3g3a s VAL 67 CO 0.77 -0.28 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.45 3g3a s LEU 68 N -1.33 3.29 0.46 2.54 1.43 -1.26 -4.58 118.68 119.23 3g3a s LEU 68 Ca -0.14 0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.74 3g3a s LEU 68 Cb -0.06 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 3g3a s LEU 68 CO 0.04 0.36 1.26 -2.84 0.23 0.00 0.00 176.35 175.39 3g3a s PRO 69 N -0.93 3.69 0.48 1.29 0.02 -1.26 -4.79 135.00 133.50 3g3a s PRO 69 Ca 0.13 2.02 -0.22 0.00 0.02 0.00 0.00 61.00 62.95 3g3a s PRO 69 Cb -0.11 -2.50 -0.07 0.00 0.02 0.00 0.00 34.50 31.84 3g3a s PRO 69 CO 0.03 -0.68 1.19 0.00 -0.33 0.00 0.00 177.00 177.20 3g3a s ALA 70 N -1.38 2.93 -1.42 -1.55 0.00 -1.26 -2.48 121.76 116.60 3g3a s ALA 70 Ca 0.63 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3g3a s ALA 70 Cb -0.35 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3g3a s ALA 70 CO 0.43 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3g3a n GLY 71 N 0.46 1.33 0.36 0.00 0.00 -1.26 -4.85 105.19 101.23 3g3a n GLY 71 Ca 0.08 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3g3a n GLY 71 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3a h VAL 72 N 0.00 0.88 -0.27 1.61 3.04 -1.83 -2.88 116.25 116.81 3g3a h VAL 72 Ca -0.27 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3g3a h VAL 72 Cb 1.10 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 3g3a h VAL 72 CO 0.40 0.09 0.00 0.49 -1.01 0.00 0.00 177.57 177.54 3g3a n PHE 73 N -4.48 0.42 0.21 3.17 3.72 -1.26 -4.51 117.46 114.73 3g3a n PHE 73 Ca 0.12 -0.56 0.11 0.00 -0.05 0.00 0.00 57.45 57.07 3g3a n PHE 73 Cb 0.41 -0.07 0.66 0.00 -0.94 0.00 0.00 39.48 39.54 3g3a n PHE 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3a h ASP 74 N 1.58 0.00 -0.29 4.37 3.32 -1.77 -2.35 116.42 121.28 3g3a h ASP 74 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3a h ASP 74 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3g3a h ASP 74 CO 0.03 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.84 3g3a n LYS 75 N -4.49 2.11 -2.85 3.56 4.01 -1.26 -4.70 118.16 114.54 3g3a n LYS 75 Ca -0.00 -1.67 -0.42 0.00 -0.51 0.00 0.00 58.31 55.70 3g3a n LYS 75 Cb 0.20 -1.44 0.01 0.00 -0.51 0.00 0.00 35.03 33.28 3g3a n LYS 75 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3g3a n LEU 76 N 0.89 6.75 -0.16 -0.35 4.77 -0.89 -4.57 117.00 123.44 3g3a n LEU 76 Ca 0.17 -5.24 0.15 0.00 -0.03 0.00 0.00 56.01 51.07 3g3a n LEU 76 Cb 0.46 -1.25 0.71 0.00 -2.33 0.00 0.00 43.42 41.00 3g3a n LEU 76 CO 0.14 1.79 0.96 0.35 -1.33 0.00 0.00 177.39 179.30 3g3a n THR 77 N 1.02 0.00 0.58 -5.08 -2.24 -1.26 -2.75 114.28 104.55 3g3a n THR 77 Ca 0.33 -0.08 0.07 0.00 -2.27 0.00 0.00 64.05 62.10 3g3a n THR 77 Cb 0.31 -0.10 0.05 0.00 -2.10 0.00 0.00 70.33 68.48 3g3a n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g3a n GLN 78 N -0.71 1.11 -1.86 -0.78 6.02 -1.26 -3.85 117.38 116.04 3g3a n GLN 78 Ca 0.19 -1.22 -0.42 0.00 -0.01 0.00 0.00 57.00 55.53 3g3a n GLN 78 Cb 0.24 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 3g3a n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3g3a s LEU 79 N -1.29 4.37 -0.15 1.08 2.96 -0.96 -4.25 118.68 120.44 3g3a s LEU 79 Ca 0.15 2.42 0.12 0.00 -0.22 0.00 0.00 54.13 56.60 3g3a s LEU 79 Cb 0.11 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 43.04 3g3a s LEU 79 CO 0.20 -0.98 0.24 0.35 -1.32 0.00 0.00 176.35 174.84 3g3a n THR 80 N 5.50 1.51 -4.14 3.68 -2.24 0.18 -1.44 114.28 117.33 3g3a n THR 80 Ca 0.18 -0.78 -0.24 0.00 -2.27 0.00 0.00 64.05 60.95 3g3a n THR 80 Cb 0.42 -0.90 -0.17 0.00 -2.10 0.00 0.00 70.33 67.58 3g3a n THR 80 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g3a s GLN 81 N -2.53 1.23 -0.10 -0.78 -0.21 -1.05 -0.49 119.66 115.73 3g3a s GLN 81 Ca -0.13 -0.20 0.02 0.00 0.02 0.00 0.00 55.36 55.07 3g3a s GLN 81 Cb 0.07 -1.22 0.02 0.00 1.00 0.00 0.00 33.01 32.87 3g3a s GLN 81 CO 0.79 -0.14 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.51 3g3a s LEU 82 N 1.24 1.65 -0.23 2.90 2.96 -0.43 -1.32 118.68 125.44 3g3a s LEU 82 Ca -0.05 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3g3a s LEU 82 Cb -0.14 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 3g3a s LEU 82 CO -0.02 0.01 0.04 -0.94 -1.32 0.00 0.00 176.35 174.12 3g3a s SER 83 N 0.99 4.98 -0.01 3.68 1.04 -0.41 -2.09 113.70 121.88 3g3a s SER 83 Ca -0.07 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.15 3g3a s SER 83 Cb -0.15 -1.88 0.02 0.00 0.10 0.00 0.00 66.02 64.11 3g3a s SER 83 CO -0.01 -0.01 0.88 0.18 0.98 0.00 0.00 173.24 175.26 3g3a n LEU 84 N 4.73 1.45 -4.78 2.42 4.77 -0.16 -0.39 117.00 125.05 3g3a n LEU 84 Ca -0.17 -1.51 -0.31 0.00 -0.03 0.00 0.00 56.01 53.99 3g3a n LEU 84 Cb 0.51 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.67 3g3a n LEU 84 CO 0.31 0.37 0.70 0.54 -1.33 0.00 0.00 177.39 177.98 3g3a s ASN 85 N -0.85 4.55 -1.09 -1.43 4.22 -1.07 -4.23 114.94 115.05 3g3a s ASN 85 Ca 0.02 1.67 -0.00 0.00 -2.14 0.00 0.00 52.86 52.40 3g3a s ASN 85 Cb 0.02 -2.41 0.00 0.00 1.28 0.00 0.00 41.25 40.14 3g3a s ASN 85 CO 0.00 -1.98 0.91 0.47 -2.04 0.00 0.00 177.10 174.46 3g3a n ASP 86 N -3.47 -2.13 -0.75 3.54 8.00 0.03 -1.92 116.55 119.85 3g3a n ASP 86 Ca 0.08 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3g3a n ASP 86 Cb 0.54 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 3g3a n ASP 86 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g3a n ASN 87 N -2.91 1.15 -1.44 -2.24 5.03 -1.07 -1.93 115.26 111.86 3g3a n ASN 87 Ca -0.26 -0.47 -0.11 0.00 0.87 0.00 0.00 54.58 54.61 3g3a n ASN 87 Cb 0.65 0.00 0.15 0.00 -1.02 0.00 0.00 39.78 39.56 3g3a n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g3a n GLN 88 N 0.00 2.30 -2.87 3.52 1.13 0.14 -4.34 117.38 117.26 3g3a n GLN 88 Ca 0.00 -3.44 -0.40 0.00 -1.94 0.00 0.00 57.00 51.22 3g3a n GLN 88 Cb 0.00 -1.95 -0.06 0.00 0.11 0.00 0.00 30.24 28.34 3g3a n GLN 88 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g3a s LEU 89 N -3.39 4.57 -0.11 1.08 1.43 -0.92 -4.32 118.68 117.01 3g3a s LEU 89 Ca 0.48 1.72 0.13 0.00 -1.03 0.00 0.00 54.13 55.43 3g3a s LEU 89 Cb 0.42 -3.43 -0.18 0.00 0.03 0.00 0.00 46.19 43.03 3g3a s LEU 89 CO -0.00 0.11 0.10 0.29 0.23 0.00 0.00 176.35 177.08 3g3a n LYS 90 N 2.00 1.49 -3.87 1.70 4.76 -1.26 -2.83 118.16 120.15 3g3a n LYS 90 Ca -0.03 -0.03 -0.07 0.00 -2.87 0.00 0.00 58.31 55.31 3g3a n LYS 90 Cb 0.49 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.30 3g3a n LYS 90 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3g3a s SER 91 N -4.49 -0.22 -0.16 4.39 1.04 -1.26 -1.08 113.70 111.91 3g3a s SER 91 Ca -0.07 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 3g3a s SER 91 Cb 0.05 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 3g3a s SER 91 CO 0.57 -1.35 -0.03 -0.63 0.98 0.00 0.00 173.24 172.79 3g3a s ILE 92 N -3.83 3.96 0.29 -1.02 -1.09 -1.26 -4.76 121.20 113.49 3g3a s ILE 92 Ca 0.12 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 57.92 3g3a s ILE 92 Cb -0.05 -2.75 -0.13 0.00 -1.58 0.00 0.00 42.46 37.95 3g3a s ILE 92 CO 0.08 0.48 1.34 -2.65 -1.23 0.00 0.00 174.94 172.96 3g3a n PRO 93 N 3.61 2.06 -1.68 2.79 -0.02 -1.26 -4.61 135.00 135.90 3g3a n PRO 93 Ca -0.17 0.73 -0.48 0.00 -2.02 0.00 0.00 63.50 61.56 3g3a n PRO 93 Cb 0.52 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 3g3a n PRO 93 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3g3a n ARG 94 N 1.32 2.17 -0.57 -0.52 0.63 -1.26 -1.47 116.66 116.95 3g3a n ARG 94 Ca 0.08 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 3g3a n ARG 94 Cb 0.34 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.63 3g3a n ARG 94 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g3a n GLY 95 N 4.07 0.76 0.28 5.14 0.00 -1.26 -4.95 105.19 109.23 3g3a n GLY 95 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 3g3a n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3a h ALA 96 N 0.00 1.18 -0.02 4.61 0.00 -1.61 -2.54 119.26 120.88 3g3a h ALA 96 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g3a h ALA 96 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g3a h ALA 96 CO 0.00 0.09 -0.17 1.19 0.00 0.00 0.00 179.25 180.36 3g3a n PHE 97 N -3.44 0.00 -0.05 0.00 3.72 -1.26 -4.52 117.46 111.92 3g3a n PHE 97 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3g3a n PHE 97 Cb 0.22 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.05 3g3a n PHE 97 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g3a h ASP 98 N 3.24 0.58 -0.04 4.37 3.32 -1.86 -2.22 116.42 123.82 3g3a h ASP 98 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3g3a h ASP 98 Cb 0.77 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3g3a h ASP 98 CO 0.00 0.56 0.00 0.59 -1.72 0.00 0.00 179.24 178.67 3g3a n ASN 99 N -4.34 0.70 -3.77 6.45 4.13 -1.26 -4.60 115.26 112.57 3g3a n ASN 99 Ca 0.03 -1.38 -0.42 0.00 1.68 0.00 0.00 54.58 54.50 3g3a n ASN 99 Cb 0.18 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 3g3a n ASN 99 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3g3a n LEU 100 N -0.39 7.00 0.00 3.41 4.77 -0.84 -4.28 117.00 126.67 3g3a n LEU 100 Ca 0.19 -4.74 0.12 0.00 -0.03 0.00 0.00 56.01 51.54 3g3a n LEU 100 Cb 0.20 -1.44 0.61 0.00 -2.33 0.00 0.00 43.42 40.47 3g3a n LEU 100 CO 0.15 1.57 0.91 2.29 -1.33 0.00 0.00 177.39 180.97 3g3a n LYS 101 N 3.17 0.30 0.00 3.23 2.85 -1.26 -2.57 118.16 123.88 3g3a n LYS 101 Ca 0.44 0.06 0.07 0.00 -1.05 0.00 0.00 58.31 57.83 3g3a n LYS 101 Cb 0.33 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.23 3g3a n LYS 101 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3g3a n SER 102 N -1.32 1.68 -4.64 -5.58 7.64 -1.25 -5.03 113.62 105.13 3g3a n SER 102 Ca 0.11 -1.34 -0.49 0.00 1.01 0.00 0.00 58.87 58.16 3g3a n SER 102 Cb 0.21 0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 3g3a n SER 102 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3g3a n LEU 103 N 0.12 2.45 -0.00 -3.43 7.94 -0.52 -4.08 117.00 119.48 3g3a n LEU 103 Ca 0.07 1.09 -0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3g3a n LEU 103 Cb 0.31 -1.31 -0.01 0.00 0.53 0.00 0.00 43.42 42.94 3g3a n LEU 103 CO 0.15 -0.62 -0.53 0.35 -1.11 0.00 0.00 177.39 175.63 3g3a n THR 104 N 3.12 0.05 -3.72 1.96 -2.24 0.36 -4.99 114.28 108.82 3g3a n THR 104 Ca 0.18 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 3g3a n THR 104 Cb 0.24 -0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 67.99 3g3a n THR 104 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g3a s HIS 105 N -2.06 -0.32 -0.01 4.78 3.76 -0.64 -4.57 115.29 116.23 3g3a s HIS 105 Ca -0.01 0.77 0.02 0.00 -0.15 0.00 0.00 55.06 55.69 3g3a s HIS 105 Cb 0.01 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.71 3g3a s HIS 105 CO 0.06 -0.24 -0.07 -1.50 -0.85 0.00 0.00 174.74 172.15 3g3a s ILE 106 N 1.38 0.55 -0.21 0.60 2.07 -0.31 -1.32 121.20 123.96 3g3a s ILE 106 Ca -0.08 -0.26 -0.08 0.00 -1.41 0.00 0.00 60.65 58.82 3g3a s ILE 106 Cb -0.11 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 3g3a s ILE 106 CO -0.08 0.17 0.07 0.26 -1.91 0.00 0.00 174.94 173.45 3g3a s TRP 107 N 0.07 3.17 -0.00 3.50 0.51 -0.89 -1.23 118.94 124.07 3g3a s TRP 107 Ca -0.00 -0.12 0.00 0.00 -2.12 0.00 0.00 56.10 53.86 3g3a s TRP 107 Cb -0.05 -2.16 -0.00 0.00 -0.81 0.00 0.00 33.47 30.44 3g3a s TRP 107 CO -0.00 -0.07 0.01 1.28 -0.51 0.00 0.00 176.95 177.65 3g3a n LEU 108 N 4.19 0.00 -4.56 2.99 4.77 -1.26 -0.98 117.00 122.15 3g3a n LEU 108 Ca -0.16 -0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 3g3a n LEU 108 Cb 0.52 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.83 3g3a n LEU 108 CO 0.33 0.00 0.57 -1.48 -1.33 0.00 0.00 177.39 175.49 3g3a s LEU 109 N -2.89 0.89 -1.41 2.23 2.34 -1.26 -4.08 118.68 114.50 3g3a s LEU 109 Ca -0.00 1.16 -0.02 0.00 0.06 0.00 0.00 54.13 55.33 3g3a s LEU 109 Cb 0.00 -3.10 0.02 0.00 -0.56 0.00 0.00 46.19 42.55 3g3a s LEU 109 CO 0.01 -3.89 0.55 0.59 -1.06 0.00 0.00 176.35 172.54 3g3a n ASN 110 N -4.68 -0.99 -4.24 1.48 3.02 -1.26 -0.79 115.26 107.80 3g3a n ASN 110 Ca 0.06 -0.95 -0.25 0.00 -0.03 0.00 0.00 54.58 53.41 3g3a n ASN 110 Cb 0.57 -3.33 -0.14 0.00 -0.61 0.00 0.00 39.78 36.27 3g3a n ASN 110 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3g3a s ASN 111 N -4.23 2.43 -1.00 6.41 -0.87 -1.26 -1.92 114.94 114.50 3g3a s ASN 111 Ca 0.09 -0.51 -0.08 0.00 -1.57 0.00 0.00 52.86 50.79 3g3a s ASN 111 Cb -0.05 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.25 40.91 3g3a s ASN 111 CO 0.87 0.16 2.20 -0.81 -2.57 0.00 0.00 177.10 176.95 3g3a n PRO 112 N 1.89 2.25 -1.63 -0.60 -0.04 -1.13 -4.69 135.00 131.05 3g3a n PRO 112 Ca -0.17 -1.62 -0.46 0.00 -0.04 0.00 0.00 63.50 61.21 3g3a n PRO 112 Cb 0.53 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 3g3a n PRO 112 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3g3a n TRP 113 N 4.52 1.80 -3.53 0.54 7.02 -1.20 -4.23 117.44 122.37 3g3a n TRP 113 Ca 0.49 0.54 -0.42 0.00 -1.02 0.00 0.00 57.50 57.10 3g3a n TRP 113 Cb 0.18 -2.38 -0.07 0.00 -2.42 0.00 0.00 31.31 26.62 3g3a n TRP 113 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3g3a s ASP 114 N 0.10 5.86 0.09 -0.99 2.15 -0.24 -0.82 116.67 122.81 3g3a s ASP 114 Ca 0.69 -2.28 0.27 0.00 0.43 0.00 0.00 52.55 51.66 3g3a s ASP 114 Cb -0.72 -2.03 1.04 0.00 -0.30 0.00 0.00 42.92 40.91 3g3a s ASP 114 CO 0.52 -0.61 1.85 0.00 -0.17 0.00 0.00 175.17 176.76 3g3a h ALA 116 N 2.78 1.21 -2.59 0.00 0.00 -1.91 -3.41 119.26 115.34 3g3a h ALA 116 Ca 0.00 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 3g3a h ALA 116 Cb 0.59 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3g3a h ALA 116 CO 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 3g3a h SER 118 N 3.26 0.00 0.15 0.00 0.02 -1.80 -2.80 113.55 112.37 3g3a h SER 118 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3g3a h SER 118 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3g3a h SER 118 CO 0.67 0.00 -0.02 0.44 -1.14 0.00 0.00 176.83 176.78 3g3a h ASP 119 N 0.00 0.00 0.53 3.07 3.32 -1.90 -2.88 116.42 118.55 3g3a h ASP 119 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3a h ASP 119 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3g3a h ASP 119 CO 0.00 0.02 0.00 -0.29 -1.72 0.00 0.00 179.24 177.25 3g3a h ILE 120 N 0.00 0.00 -0.33 0.35 6.09 -1.73 -3.32 117.51 118.57 3g3a h ILE 120 Ca -0.00 -0.20 -0.07 0.00 -1.37 0.00 0.00 64.86 63.23 3g3a h ILE 120 Cb 0.10 0.92 -0.02 0.00 0.47 0.00 0.00 36.82 38.30 3g3a h ILE 120 CO 0.00 0.00 -0.08 -0.07 -3.07 0.00 0.00 178.15 174.93 3g3a h LEU 121 N 0.00 0.52 -0.07 2.19 3.38 -1.74 -0.63 115.31 118.96 3g3a h LEU 121 Ca 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3g3a h LEU 121 Cb 0.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3g3a h LEU 121 CO 0.00 0.65 0.03 0.22 0.09 0.00 0.00 178.44 179.43 3g3a h TYR 122 N 0.51 0.11 -0.31 1.13 3.20 -1.83 -1.62 116.97 118.17 3g3a h TYR 122 Ca 0.10 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3g3a h TYR 122 Cb 0.45 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3g3a h TYR 122 CO 0.02 0.22 0.20 1.25 -1.64 0.00 0.00 178.16 178.20 3g3a h LEU 123 N -0.03 0.34 -0.67 2.82 5.85 -1.72 0.11 115.31 122.01 3g3a h LEU 123 Ca 0.03 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3g3a h LEU 123 Cb 0.15 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3g3a h LEU 123 CO -0.00 0.24 0.31 -1.28 -0.34 0.00 0.00 178.44 177.37 3g3a h SER 124 N 0.40 0.39 -0.11 1.25 0.87 -1.09 -0.75 113.55 114.50 3g3a h SER 124 Ca 0.11 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 3g3a h SER 124 Cb -0.04 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3g3a h SER 124 CO -0.03 0.23 -0.49 -0.09 -0.53 0.00 0.00 176.83 175.91 3g3a h ARG 125 N 0.54 0.53 -0.16 2.24 2.43 -1.05 -2.85 114.38 116.06 3g3a h ARG 125 Ca 0.33 -0.42 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3g3a h ARG 125 Cb 0.35 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3g3a h ARG 125 CO -0.27 1.05 0.09 2.35 -1.51 0.00 0.00 179.97 181.68 3g3a h TRP 126 N 0.14 0.17 0.17 2.20 7.01 -0.52 -0.79 115.95 124.33 3g3a h TRP 126 Ca -0.03 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3g3a h TRP 126 Cb 1.13 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.13 3g3a h TRP 126 CO 0.11 0.10 -0.15 0.82 -2.79 0.00 0.00 178.44 176.54 3g3a h ILE 127 N 0.19 0.67 -1.02 2.65 2.04 -1.23 -1.80 117.51 119.02 3g3a h ILE 127 Ca 0.06 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.18 3g3a h ILE 127 Cb -0.00 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 3g3a h ILE 127 CO -0.03 0.00 0.66 0.28 0.00 0.00 0.00 178.15 179.05 3g3a h SER 128 N -0.33 0.47 0.40 1.72 0.02 -1.32 -2.61 113.55 111.89 3g3a h SER 128 Ca -0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3g3a h SER 128 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3g3a h SER 128 CO -0.03 0.11 -0.25 0.00 -1.14 0.00 0.00 176.83 175.52 3g3a n GLN 129 N -4.63 0.53 -3.14 3.45 6.02 -0.32 -4.25 117.38 115.03 3g3a n GLN 129 Ca 0.25 -0.26 -0.21 0.00 -0.01 0.00 0.00 57.00 56.77 3g3a n GLN 129 Cb 0.84 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.57 3g3a n GLN 129 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3g3a n HIS 130 N -1.01 1.07 0.35 1.08 8.25 -0.75 -4.98 115.22 119.22 3g3a n HIS 130 Ca 0.11 -3.85 0.13 0.00 -0.26 0.00 0.00 57.72 53.85 3g3a n HIS 130 Cb 0.32 -0.43 0.54 0.00 1.12 0.00 0.00 29.99 31.54 3g3a n HIS 130 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3g3a h PRO 131 N 3.10 0.00 -0.60 -0.41 0.13 -1.73 -2.70 132.00 129.78 3g3a h PRO 131 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3g3a h PRO 131 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3g3a h PRO 131 CO 0.57 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 3g3a n GLY 132 N -0.18 2.68 0.01 1.56 0.00 -1.26 -4.58 105.19 103.42 3g3a n GLY 132 Ca 0.01 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.40 3g3a n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g3a n LEU 133 N 1.17 0.15 -4.78 0.99 4.77 -1.02 -4.92 117.00 113.37 3g3a n LEU 133 Ca 0.21 -0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 3g3a n LEU 133 Cb 0.63 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 3g3a n LEU 133 CO 0.16 0.04 -0.15 -0.69 -1.33 0.00 0.00 177.39 175.42 3g3a s VAL 134 N -2.85 5.41 0.01 4.08 1.01 -1.26 -1.17 120.40 125.64 3g3a s VAL 134 Ca -0.03 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.29 3g3a s VAL 134 Cb 0.10 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3g3a s VAL 134 CO 0.60 0.49 -0.23 -0.36 0.00 0.00 0.00 175.10 175.60 3g3a s PHE 135 N -0.09 2.07 0.00 5.22 0.40 -0.36 -0.76 117.98 124.46 3g3a s PHE 135 Ca 0.12 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 3g3a s PHE 135 Cb -0.12 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.12 3g3a s PHE 135 CO 0.01 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.37 3g3a n GLY 136 N 2.18 1.25 0.00 4.36 0.00 -0.72 -4.31 105.19 107.96 3g3a n GLY 136 Ca -0.16 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.10 3g3a n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3g3a n TYR 137 N 0.00 0.01 0.00 1.61 4.01 -1.26 -4.46 117.16 117.07 3g3a n TYR 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3g3a n TYR 137 Cb 0.00 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.52 3g3a n TYR 137 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g3a n LEU 138 N -1.51 0.00 0.00 7.72 4.77 -1.26 -5.17 117.00 121.55 3g3a n LEU 138 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3g3a n LEU 138 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3g3a n LEU 138 CO 0.16 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.81 3g3a n ASN 139 N 0.00 0.34 -4.66 -1.43 3.02 -1.26 -5.03 115.26 106.24 3g3a n ASN 139 Ca 0.00 -0.35 -0.49 0.00 -0.03 0.00 0.00 54.58 53.71 3g3a n ASN 139 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 3g3a n ASN 139 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3g3a n LEU 140 N 0.00 2.84 -3.20 3.41 7.94 -1.26 -1.75 117.00 124.97 3g3a n LEU 140 Ca 0.00 1.05 0.01 0.00 -1.11 0.00 0.00 56.01 55.96 3g3a n LEU 140 Cb 0.00 -1.32 -0.01 0.00 0.53 0.00 0.00 43.42 42.62 3g3a n LEU 140 CO 0.00 -0.38 0.10 -0.62 -1.11 0.00 0.00 177.39 175.38 3g3a s ASP 141 N 2.19 -1.52 0.39 1.96 2.15 0.06 -4.81 116.67 117.10 3g3a s ASP 141 Ca 0.87 -0.76 0.28 0.00 0.43 0.00 0.00 52.55 53.37 3g3a s ASP 141 Cb -0.79 1.95 1.36 0.00 -0.30 0.00 0.00 42.92 45.14 3g3a s ASP 141 CO 0.48 -0.17 1.85 1.55 -0.17 0.00 0.00 175.17 178.70 3g3a h PRO 142 N 6.99 0.00 -0.18 4.34 0.13 -1.84 -1.64 132.00 139.80 3g3a h PRO 142 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3g3a h PRO 142 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3g3a h PRO 142 CO 0.10 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.62 3g3a n ASP 143 N -2.51 1.90 0.22 1.44 8.00 -1.26 -4.18 116.55 120.16 3g3a n ASP 143 Ca -0.00 -1.73 0.13 0.00 0.71 0.00 0.00 54.79 53.90 3g3a n ASP 143 Cb 0.14 -0.11 0.30 0.00 -0.02 0.00 0.00 41.12 41.43 3g3a n ASP 143 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3g3a h SER 144 N 2.56 0.00 -3.49 -2.24 4.64 -1.68 -3.39 113.55 109.95 3g3a h SER 144 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3g3a h SER 144 Cb 0.56 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.56 3g3a h SER 144 CO 0.00 0.00 0.66 0.00 -0.87 0.00 0.00 176.83 176.62 3g3a s ALA 145 N -3.30 3.39 -0.03 5.18 0.00 -1.26 -4.18 121.76 121.56 3g3a s ALA 145 Ca 0.06 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.67 3g3a s ALA 145 Cb 0.06 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 3g3a s ALA 145 CO 0.63 -1.66 -0.22 1.03 0.00 0.00 0.00 175.76 175.54 3g3a s ARG 146 N 3.58 2.04 0.22 0.00 0.52 -1.26 -0.68 118.95 123.37 3g3a s ARG 146 Ca 0.40 -0.80 -0.31 0.00 -0.52 0.00 0.00 55.73 54.50 3g3a s ARG 146 Cb -0.12 -1.85 -0.10 0.00 0.52 0.00 0.00 34.95 33.40 3g3a s ARG 146 CO 0.20 0.41 1.50 0.00 0.02 0.00 0.00 175.30 177.43 3g3a n SER 148 N 2.99 2.21 0.00 0.00 3.41 -0.00 -1.59 113.62 120.64 3g3a n SER 148 Ca 0.10 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 3g3a n SER 148 Cb 0.39 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 3g3a n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g3a n GLY 149 N 0.89 2.12 0.18 5.00 0.00 -1.26 -4.40 105.19 107.72 3g3a n GLY 149 Ca 0.12 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3g3a n GLY 149 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g3a h THR 150 N 0.00 0.00 -3.23 2.61 1.35 -1.99 -3.47 112.91 108.18 3g3a h THR 150 Ca 0.00 -0.77 -0.22 0.00 -0.55 0.00 0.00 66.41 64.87 3g3a h THR 150 Cb 0.00 1.76 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 3g3a h THR 150 CO 0.00 0.00 -0.26 -3.20 -0.25 0.00 0.00 175.52 171.81 3g3a n ASN 151 N -2.76 -3.42 -4.91 5.36 2.85 -0.62 -4.99 115.26 106.77 3g3a n ASN 151 Ca 0.04 0.24 -0.28 0.00 -0.11 0.00 0.00 54.58 54.48 3g3a n ASN 151 Cb 0.48 -3.01 -0.02 0.00 1.24 0.00 0.00 39.78 38.47 3g3a n ASN 151 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3g3a s THR 152 N -2.38 4.94 0.15 -0.44 -4.23 -1.26 -4.74 115.64 107.68 3g3a s THR 152 Ca 0.00 0.15 -0.31 0.00 -1.18 0.00 0.00 61.69 60.34 3g3a s THR 152 Cb 0.00 -3.81 -0.09 0.00 1.34 0.00 0.00 72.50 69.94 3g3a s THR 152 CO 0.00 -0.62 1.48 -2.84 -0.54 0.00 0.00 174.62 172.09 3g3a s PRO 153 N -4.24 4.27 0.34 3.99 0.02 -1.26 -0.90 135.00 137.22 3g3a s PRO 153 Ca 0.46 2.22 0.11 0.00 0.02 0.00 0.00 61.00 63.82 3g3a s PRO 153 Cb -0.10 -3.20 0.90 0.00 0.02 0.00 0.00 34.50 32.12 3g3a s PRO 153 CO 0.37 -0.52 1.78 0.28 -0.33 0.00 0.00 177.00 178.59 3g3a h VAL 154 N 4.10 0.63 0.00 3.83 2.07 -1.21 -1.89 116.25 123.78 3g3a h VAL 154 Ca -0.43 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3g3a h VAL 154 Cb 1.21 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3g3a h VAL 154 CO 0.88 0.11 0.00 -2.11 0.02 0.00 0.00 177.57 176.47 3g3a n ARG 155 N -4.72 0.03 -0.01 1.57 1.85 -1.26 -1.41 116.66 112.71 3g3a n ARG 155 Ca 0.24 0.25 -0.03 0.00 -1.00 0.00 0.00 57.85 57.32 3g3a n ARG 155 Cb 0.69 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.49 3g3a n ARG 155 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3g3a n ALA 156 N -1.47 1.83 -1.73 2.89 0.00 -0.71 -4.77 120.51 116.55 3g3a n ALA 156 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 3g3a n ALA 156 Cb 0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3g3a n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3g3a s VAL 157 N -2.83 2.49 0.38 0.00 1.01 -0.50 -5.02 120.40 115.93 3g3a s VAL 157 Ca -0.05 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.08 3g3a s VAL 157 Cb 0.08 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 3g3a s VAL 157 CO 0.82 0.00 -0.02 0.42 0.00 0.00 0.00 175.10 176.32 3g3a s THR 158 N 2.48 2.00 0.43 3.92 -4.23 -1.26 -4.83 115.64 114.16 3g3a s THR 158 Ca 0.79 -2.07 0.21 0.00 -1.18 0.00 0.00 61.69 59.44 3g3a s THR 158 Cb -0.46 -2.85 0.41 0.00 1.34 0.00 0.00 72.50 70.94 3g3a s THR 158 CO 0.35 -0.08 1.83 -0.08 -0.54 0.00 0.00 174.62 176.10 3g3a h GLU 159 N 1.90 0.32 0.00 3.99 4.81 -1.96 -2.54 114.58 121.10 3g3a h GLU 159 Ca -0.43 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 3g3a h GLU 159 Cb 1.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3g3a h GLU 159 CO 0.76 0.21 -0.18 0.00 -0.73 0.00 0.00 179.01 179.08 3g3a h ALA 160 N 1.59 1.00 -0.57 2.92 0.00 -2.01 -2.86 119.26 119.33 3g3a h ALA 160 Ca 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3g3a h ALA 160 Cb 1.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3g3a h ALA 160 CO -0.18 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 3g3a n SER 161 N -3.30 3.45 -4.70 0.00 3.41 -0.96 -4.94 113.62 106.58 3g3a n SER 161 Ca 0.01 -2.14 -0.25 0.00 -0.26 0.00 0.00 58.87 56.23 3g3a n SER 161 Cb 0.42 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 3g3a n SER 161 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3g3a s THR 162 N -1.43 2.27 -0.07 6.66 -4.23 -1.08 -4.63 115.64 113.13 3g3a s THR 162 Ca 0.40 -1.81 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 3g3a s THR 162 Cb 0.23 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 71.12 3g3a s THR 162 CO 0.24 -0.03 0.32 -0.55 -0.54 0.00 0.00 174.62 174.07 3g3a s SER 163 N -3.83 -0.27 0.34 3.99 0.15 -0.28 -4.92 113.70 108.88 3g3a s SER 163 Ca 0.39 0.40 0.27 0.00 0.70 0.00 0.00 55.95 57.70 3g3a s SER 163 Cb 0.05 0.51 0.98 0.00 -1.71 0.00 0.00 66.02 65.85 3g3a s SER 163 CO 0.21 -0.27 1.78 1.55 1.20 0.00 0.00 173.24 177.72 3g3a h PRO 164 N 4.82 0.00 0.00 5.44 0.13 -1.95 -2.78 132.00 137.66 3g3a h PRO 164 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3g3a h PRO 164 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3g3a h PRO 164 CO 0.34 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.98 3g3a n SER 165 N -2.55 0.56 -1.34 1.44 3.41 -1.26 -3.61 113.62 110.27 3g3a n SER 165 Ca 0.03 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3g3a n SER 165 Cb 0.32 -0.73 0.30 0.00 -0.26 0.00 0.00 64.21 63.84 3g3a n SER 165 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g3a n LYS 166 N -2.07 3.12 0.00 4.33 5.02 -1.19 -5.14 118.16 122.23 3g3a n LYS 166 Ca 0.04 -2.38 0.11 0.00 -2.02 0.00 0.00 58.31 54.07 3g3a n LYS 166 Cb 0.31 -1.73 0.09 0.00 -0.02 0.00 0.00 35.03 33.69 3g3a n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88