#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 -1.81 3.13 0.34 0.00 0.02 -1.26 -4.92 135.00 130.51 3g3a s PRO 3 Ca 0.62 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.78 3g3a s PRO 3 Cb -0.61 -2.19 0.59 0.00 0.02 0.00 0.00 34.50 32.32 3g3a s PRO 3 CO 0.58 -1.16 1.95 1.03 -0.33 0.00 0.00 177.00 179.07 3g3a h SER 4 N 1.36 0.67 0.13 2.53 0.87 -1.92 -1.82 113.55 115.37 3g3a h SER 4 Ca -0.51 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 3g3a h SER 4 Cb 1.30 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3g3a h SER 4 CO 0.57 0.57 0.00 0.00 -0.53 0.00 0.00 176.83 177.44 3g3a n GLN 5 N -4.38 0.79 -4.38 2.24 1.13 -1.26 -4.90 117.38 106.63 3g3a n GLN 5 Ca 0.05 0.01 -0.27 0.00 -1.94 0.00 0.00 57.00 54.85 3g3a n GLN 5 Cb 0.12 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.85 3g3a n GLN 5 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3g3a s SER 7 N -2.38 5.34 0.25 0.00 1.04 -0.77 -4.70 113.70 112.49 3g3a s SER 7 Ca 0.16 0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.78 3g3a s SER 7 Cb -0.09 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 3g3a s SER 7 CO 0.07 0.28 -0.02 0.00 0.98 0.00 0.00 173.24 174.55 3g3a s SER 9 N -3.56 -1.05 1.85 0.00 0.01 -0.61 -5.00 113.70 105.34 3g3a s SER 9 Ca 0.31 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.81 3g3a s SER 9 Cb -0.07 2.12 0.00 0.00 0.21 0.00 0.00 66.02 68.28 3g3a s SER 9 CO 0.19 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.25 3g3a n GLY 10 N 5.35 3.48 0.83 3.44 0.00 -1.26 -1.42 105.19 115.62 3g3a n GLY 10 Ca -0.09 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 0.84 -3.26 2.61 -2.24 -1.26 -4.93 114.28 106.05 3g3a n THR 11 Ca 0.00 -0.92 -0.39 0.00 -2.27 0.00 0.00 64.05 60.47 3g3a n THR 11 Cb 0.00 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.04 5.11 -0.20 4.28 2.01 -0.51 -0.84 115.64 124.46 3g3a s THR 12 Ca 0.30 0.93 -0.03 0.00 0.31 0.00 0.00 61.69 63.20 3g3a s THR 12 Cb 0.16 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 3g3a s THR 12 CO 0.21 0.18 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.57 3g3a s VAL 13 N 1.61 3.29 -0.29 3.82 1.01 -0.04 -1.57 120.40 128.22 3g3a s VAL 13 Ca 0.24 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3g3a s VAL 13 Cb -0.15 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.79 3g3a s VAL 13 CO 0.09 0.45 0.00 -0.62 0.00 0.00 0.00 175.10 175.03 3g3a s ASP 14 N 1.21 4.79 -0.26 3.32 2.15 -0.36 -1.50 116.67 126.02 3g3a s ASP 14 Ca 0.02 -1.09 0.10 0.00 0.43 0.00 0.00 52.55 52.01 3g3a s ASP 14 Cb -0.14 -1.73 0.48 0.00 -0.30 0.00 0.00 42.92 41.22 3g3a s ASP 14 CO -0.02 -0.22 1.38 0.00 -0.17 0.00 0.00 175.17 176.14 3g3a s SER 16 N -2.77 6.65 -0.49 0.00 1.04 -1.21 -4.28 113.70 112.65 3g3a s SER 16 Ca 0.42 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.69 3g3a s SER 16 Cb 0.39 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 64.32 3g3a s SER 16 CO -0.02 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.90 3g3a n GLY 17 N 0.57 0.73 1.32 7.32 0.00 -0.64 -4.91 105.19 109.59 3g3a n GLY 17 Ca -0.05 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.69 3.56 -1.26 1.61 4.01 -1.25 -4.96 118.16 117.18 3g3a n LYS 18 Ca -0.05 -2.78 -0.09 0.00 -0.51 0.00 0.00 58.31 54.88 3g3a n LYS 18 Cb 0.17 -1.82 -0.04 0.00 -0.51 0.00 0.00 35.03 32.83 3g3a n LYS 18 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3g3a n SER 19 N 0.63 -5.56 -4.72 4.39 7.64 -1.26 -4.91 113.62 109.83 3g3a n SER 19 Ca 0.23 0.24 -0.39 0.00 1.01 0.00 0.00 58.87 59.95 3g3a n SER 19 Cb 0.85 -4.01 0.04 0.00 -1.01 0.00 0.00 64.21 60.08 3g3a n SER 19 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g3a n LEU 20 N -1.10 4.96 -0.01 -3.43 4.77 -1.26 -4.19 117.00 116.74 3g3a n LEU 20 Ca -0.09 0.99 0.05 0.00 -0.03 0.00 0.00 56.01 56.93 3g3a n LEU 20 Cb 0.57 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 39.99 3g3a n LEU 20 CO 0.14 -0.73 -0.67 0.00 -1.33 0.00 0.00 177.39 174.80 3g3a n ALA 21 N -0.90 2.37 -3.23 -1.18 0.00 -1.26 -0.06 120.51 116.24 3g3a n ALA 21 Ca 0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 3g3a n ALA 21 Cb 0.44 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 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 -5.03 -0.12 -0.24 0.00 1.04 -1.26 -3.87 113.70 104.22 3g3a s SER 22 Ca -0.07 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.24 3g3a s SER 22 Cb 0.11 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 3g3a s SER 22 CO 0.86 -1.13 1.26 -0.69 0.98 0.00 0.00 173.24 174.52 3g3a s VAL 23 N -3.99 4.24 0.44 5.02 1.01 -1.26 -4.99 120.40 120.87 3g3a s VAL 23 Ca 0.19 1.45 -0.25 0.00 0.00 0.00 0.00 61.98 63.38 3g3a s VAL 23 Cb -0.01 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3g3a s VAL 23 CO 0.07 -0.32 1.22 -2.65 0.00 0.00 0.00 175.10 173.42 3g3a n PRO 24 N 6.95 1.77 -1.93 2.72 -0.02 -1.26 -5.00 135.00 138.22 3g3a n PRO 24 Ca 0.14 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.97 3g3a n PRO 24 Cb 0.46 -2.33 0.09 0.00 -0.02 0.00 0.00 33.50 31.70 3g3a n PRO 24 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3g3a s THR 25 N -1.23 2.03 -1.47 3.45 -4.23 -1.26 -4.37 115.64 108.56 3g3a s THR 25 Ca 0.63 -0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 3g3a s THR 25 Cb -0.50 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.36 3g3a s THR 25 CO 0.57 0.00 0.41 0.61 -0.54 0.00 0.00 174.62 175.66 3g3a n GLY 26 N -3.29 -0.51 3.68 3.99 0.00 -1.26 -4.64 105.19 103.15 3g3a n GLY 26 Ca 0.08 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.03 3.57 0.37 -0.61 1.01 -1.26 -4.18 121.20 117.07 3g3a s ILE 27 Ca 0.24 0.87 -0.26 0.00 0.00 0.00 0.00 60.65 61.51 3g3a s ILE 27 Cb -0.11 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 38.67 3g3a s ILE 27 CO 0.30 -0.03 0.96 -2.65 0.00 0.00 0.00 174.94 173.51 3g3a n PRO 28 N 6.07 1.27 0.03 2.79 -0.02 -1.26 -4.91 135.00 138.96 3g3a n PRO 28 Ca 0.15 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 3g3a n PRO 28 Cb 0.43 -1.90 0.45 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.23 0.60 0.20 3.45 -2.24 -1.26 -2.69 114.28 112.10 3g3a n THR 29 Ca 0.10 0.10 0.09 0.00 -2.27 0.00 0.00 64.05 62.07 3g3a n THR 29 Cb 0.36 -0.81 0.14 0.00 -2.10 0.00 0.00 70.33 67.92 3g3a n THR 29 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3g3a h THR 30 N 0.00 0.24 -0.96 4.28 1.35 -1.91 -3.41 112.91 112.51 3g3a h THR 30 Ca 0.00 -1.33 -0.84 0.00 -0.55 0.00 0.00 66.41 63.70 3g3a h THR 30 Cb 0.40 2.10 0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3g3a h THR 30 CO 0.00 0.14 0.61 0.41 -0.25 0.00 0.00 175.52 176.42 3g3a n THR 31 N -3.14 0.00 -0.09 6.82 -1.04 -1.10 -4.83 114.28 110.90 3g3a n THR 31 Ca 0.03 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.88 3g3a n THR 31 Cb 0.58 -0.44 -0.13 0.00 -1.82 0.00 0.00 70.33 68.52 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 3.62 0.68 -4.52 -2.82 6.02 -0.02 -3.16 117.38 117.18 3g3a n GLN 32 Ca 0.29 0.15 -0.30 0.00 -0.01 0.00 0.00 57.00 57.13 3g3a n GLN 32 Cb -0.05 -1.57 -0.17 0.00 1.02 0.00 0.00 30.24 29.48 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 -2.53 1.73 -0.11 5.09 1.01 -1.13 0.15 120.40 124.61 3g3a s VAL 33 Ca -0.27 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3g3a s VAL 33 Cb 0.08 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3g3a s VAL 33 CO 0.68 0.49 -0.13 -0.22 0.00 0.00 0.00 175.10 175.92 3g3a s LEU 34 N 0.94 1.57 -0.16 3.92 2.96 0.20 -0.86 118.68 127.26 3g3a s LEU 34 Ca -0.06 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3g3a s LEU 34 Cb -0.15 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3g3a s LEU 34 CO -0.02 -0.02 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.61 3g3a s TYR 35 N 1.17 2.95 0.00 5.38 2.02 -0.56 -1.00 117.35 127.31 3g3a s TYR 35 Ca -0.04 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 3g3a s TYR 35 Cb -0.14 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 3g3a s TYR 35 CO -0.04 -0.15 0.60 1.28 -1.57 0.00 0.00 175.55 175.68 3g3a n LEU 36 N 3.68 0.00 -4.75 -1.29 4.77 -0.22 0.57 117.00 119.75 3g3a n LEU 36 Ca -0.18 -0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.20 3g3a n LEU 36 Cb 0.52 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.70 3g3a n LEU 36 CO 0.32 0.10 0.73 -0.72 -1.33 0.00 0.00 177.39 176.48 3g3a s TYR 37 N 0.00 2.39 -1.18 -1.77 -0.85 -1.14 -3.94 117.35 110.87 3g3a s TYR 37 Ca 0.00 1.59 -0.02 0.00 -0.52 0.00 0.00 57.07 58.12 3g3a s TYR 37 Cb 0.00 -3.19 -0.02 0.00 0.38 0.00 0.00 41.96 39.13 3g3a s TYR 37 CO 0.00 -2.00 0.93 -3.47 -1.52 0.00 0.00 175.55 169.48 3g3a n ASP 38 N -3.08 -3.20 0.00 -0.18 2.03 -1.08 -2.31 116.55 108.73 3g3a n ASP 38 Ca 0.11 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.73 3g3a n ASP 38 Cb 0.52 -4.93 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 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 -3.13 1.37 -2.08 1.67 5.03 -1.12 -1.61 115.26 115.39 3g3a n ASN 39 Ca -0.23 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.06 3g3a n ASN 39 Cb 0.66 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.46 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 2.97 -2.52 3.52 6.02 0.91 -4.29 117.38 123.99 3g3a n GLN 40 Ca 0.00 -3.91 -0.42 0.00 -0.01 0.00 0.00 57.00 52.66 3g3a n GLN 40 Cb 0.00 -2.03 -0.03 0.00 1.02 0.00 0.00 30.24 29.20 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 -4.21 4.35 -0.16 5.09 1.01 -1.16 -4.51 121.20 121.61 3g3a s ILE 41 Ca 0.44 1.68 0.18 0.00 0.00 0.00 0.00 60.65 62.95 3g3a s ILE 41 Cb 0.39 -4.08 -0.25 0.00 0.01 0.00 0.00 42.46 38.53 3g3a s ILE 41 CO 0.01 0.07 0.14 0.35 0.00 0.00 0.00 174.94 175.51 3g3a n THR 42 N 4.22 1.04 -3.62 2.92 -2.24 -1.25 0.23 114.28 115.58 3g3a n THR 42 Ca 0.09 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 61.00 3g3a n THR 42 Cb 0.47 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 3g3a n THR 42 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3g3a s LYS 43 N -2.66 0.98 0.13 -0.78 -2.85 -1.26 -3.23 119.74 110.08 3g3a s LYS 43 Ca -0.09 -0.28 0.11 0.00 -1.00 0.00 0.00 55.97 54.71 3g3a s LYS 43 Cb 0.07 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 3g3a s LYS 43 CO 0.79 -0.34 -0.26 -0.51 0.10 0.00 0.00 175.35 175.13 3g3a s LEU 44 N -1.95 2.37 -0.13 2.77 1.43 -1.26 -4.82 118.68 117.08 3g3a s LEU 44 Ca -0.06 -0.74 -0.28 0.00 -1.03 0.00 0.00 54.13 52.02 3g3a s LEU 44 Cb -0.01 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3g3a s LEU 44 CO -0.02 0.18 0.96 -1.61 0.23 0.00 0.00 176.35 176.09 3g3a s GLU 45 N -2.10 4.37 0.55 1.70 8.01 -1.26 -4.72 118.70 125.25 3g3a s GLU 45 Ca 0.15 1.29 0.40 0.00 0.01 0.00 0.00 54.97 56.82 3g3a s GLU 45 Cb -0.10 -3.56 1.38 0.00 -4.31 0.00 0.00 34.13 27.54 3g3a s GLU 45 CO 0.07 -0.35 1.40 -2.30 0.01 0.00 0.00 175.26 174.09 3g3a n PRO 46 N 5.19 0.00 -0.20 0.39 -0.02 -1.26 -0.66 135.00 138.45 3g3a n PRO 46 Ca 0.08 1.02 0.09 0.00 -2.02 0.00 0.00 63.50 62.66 3g3a n PRO 46 Cb 0.48 -2.41 0.16 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.81 4.91 0.35 -1.23 0.00 -1.26 -3.75 105.19 102.40 3g3a n GLY 47 Ca 0.35 -1.17 0.03 0.00 0.00 0.00 0.00 46.02 45.23 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 0.28 1.11 -0.44 1.61 3.04 -1.22 -2.46 116.25 118.17 3g3a h VAL 48 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 3g3a h VAL 48 Cb 1.03 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3g3a h VAL 48 CO 0.01 0.17 0.00 0.49 -1.01 0.00 0.00 177.57 177.23 3g3a n PHE 49 N -4.45 0.56 0.07 3.17 3.72 -1.26 -4.49 117.46 114.78 3g3a n PHE 49 Ca 0.10 -0.28 0.11 0.00 -0.05 0.00 0.00 57.45 57.33 3g3a n PHE 49 Cb 0.13 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.25 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 4.43 0.17 -0.17 4.37 5.19 -1.70 -0.83 116.42 127.89 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 0.98 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.46 3g3a h ASP 50 CO 0.00 0.11 0.00 -2.11 -3.12 0.00 0.00 179.24 174.12 3g3a n ARG 51 N -4.47 2.15 -1.26 3.56 1.85 -1.26 -4.47 116.66 112.76 3g3a n ARG 51 Ca 0.04 -1.71 -0.24 0.00 -1.00 0.00 0.00 57.85 54.94 3g3a n ARG 51 Cb 0.28 -1.47 -0.00 0.00 -1.05 0.00 0.00 32.46 30.22 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 0.99 6.62 0.24 2.89 4.32 -0.32 -4.74 117.00 127.00 3g3a n LEU 52 Ca 0.17 -3.81 0.16 0.00 -0.02 0.00 0.00 56.01 52.51 3g3a n LEU 52 Cb 0.51 -1.14 0.82 0.00 -1.62 0.00 0.00 43.42 41.99 3g3a n LEU 52 CO 0.15 1.51 0.99 0.71 -1.22 0.00 0.00 177.39 179.53 3g3a h THR 53 N 1.52 0.00 -0.09 -5.08 1.35 -1.78 -2.46 112.91 106.37 3g3a h THR 53 Ca 0.38 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 3g3a h THR 53 Cb 0.78 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3g3a h THR 53 CO 0.91 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.18 3g3a n GLN 54 N -2.68 2.34 -1.67 4.72 1.13 -1.26 -4.35 117.38 115.62 3g3a n GLN 54 Ca -0.01 -1.96 -0.46 0.00 -1.94 0.00 0.00 57.00 52.63 3g3a n GLN 54 Cb 0.11 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.95 3g3a n GLN 54 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3g3a n LEU 55 N 1.34 3.11 -0.04 1.08 7.94 -0.93 -4.53 117.00 124.97 3g3a n LEU 55 Ca 0.15 1.08 -0.04 0.00 -1.11 0.00 0.00 56.01 56.09 3g3a n LEU 55 Cb 0.59 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 43.05 3g3a n LEU 55 CO 0.15 -0.28 -0.77 0.41 -1.11 0.00 0.00 177.39 175.79 3g3a n THR 56 N 3.51 0.57 -3.89 1.96 -1.04 0.39 -1.81 114.28 113.97 3g3a n THR 56 Ca 0.17 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.05 61.71 3g3a n THR 56 Cb 0.29 -0.77 -0.13 0.00 -1.82 0.00 0.00 70.33 67.89 3g3a n THR 56 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3g3a s ARG 57 N -2.21 0.06 -0.19 -2.82 3.52 -0.47 -1.17 118.95 115.66 3g3a s ARG 57 Ca -0.04 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.41 3g3a s ARG 57 Cb 0.03 0.02 0.09 0.00 -1.56 0.00 0.00 34.95 33.53 3g3a s ARG 57 CO 0.34 -0.01 0.25 -1.17 -0.81 0.00 0.00 175.30 173.90 3g3a s LEU 58 N -0.26 -0.20 -0.23 -0.88 2.96 -0.89 -0.62 118.68 118.56 3g3a s LEU 58 Ca -0.03 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3g3a s LEU 58 Cb -0.02 0.52 -0.03 0.00 0.50 0.00 0.00 46.19 47.16 3g3a s LEU 58 CO -0.00 -0.31 0.06 -1.81 -1.32 0.00 0.00 176.35 172.97 3g3a s ASP 59 N 2.37 5.17 0.00 3.68 1.11 -0.17 -2.24 116.67 126.58 3g3a s ASP 59 Ca 0.07 -0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.63 3g3a s ASP 59 Cb -0.15 -1.92 0.00 0.00 1.07 0.00 0.00 42.92 41.93 3g3a s ASP 59 CO -0.12 0.01 0.39 0.18 1.18 0.00 0.00 175.17 176.81 3g3a n LEU 60 N 4.61 0.29 -4.67 1.23 4.77 -0.73 -1.06 117.00 121.44 3g3a n LEU 60 Ca -0.16 -0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.23 3g3a n LEU 60 Cb 0.52 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.77 3g3a n LEU 60 CO 0.32 0.07 0.64 1.51 -1.33 0.00 0.00 177.39 178.60 3g3a s ASP 61 N -0.11 2.89 -1.19 -1.43 -4.77 -0.97 -4.01 116.67 107.08 3g3a s ASP 61 Ca 0.00 1.45 -0.04 0.00 -3.30 0.00 0.00 52.55 50.66 3g3a s ASP 61 Cb 0.00 -2.13 0.00 0.00 -1.09 0.00 0.00 42.92 39.71 3g3a s ASP 61 CO 0.00 -3.00 0.52 0.59 0.70 0.00 0.00 175.17 173.98 3g3a n ASN 62 N -4.12 -5.14 0.00 2.11 4.13 -0.83 -2.84 115.26 108.57 3g3a n ASN 62 Ca 0.06 -0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.08 3g3a n ASN 62 Cb 0.55 -3.96 0.00 0.00 -1.54 0.00 0.00 39.78 34.83 3g3a n ASN 62 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3g3a n ASN 63 N -1.59 0.71 -1.77 6.41 4.13 -1.20 -2.63 115.26 119.32 3g3a n ASN 63 Ca -0.08 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.10 3g3a n ASN 63 Cb 0.59 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.90 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 2.24 -2.16 3.52 6.02 0.13 -4.46 117.38 122.67 3g3a n GLN 64 Ca 0.00 -3.53 -0.42 0.00 -0.01 0.00 0.00 57.00 53.04 3g3a n GLN 64 Cb 0.00 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.56 3g3a n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g3a s LEU 65 N -3.09 4.36 -0.13 1.08 1.43 -0.89 -4.27 118.68 117.18 3g3a s LEU 65 Ca 0.40 2.30 0.17 0.00 -1.03 0.00 0.00 54.13 55.98 3g3a s LEU 65 Cb 0.38 -3.58 -0.25 0.00 0.03 0.00 0.00 46.19 42.77 3g3a s LEU 65 CO -0.03 -0.68 0.17 0.41 0.23 0.00 0.00 176.35 176.45 3g3a n THR 66 N 4.13 0.85 -3.91 5.49 -1.04 -1.20 -0.02 114.28 118.58 3g3a n THR 66 Ca 0.12 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.05 61.37 3g3a n THR 66 Cb 0.42 -0.35 -0.07 0.00 -1.82 0.00 0.00 70.33 68.52 3g3a n THR 66 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3g3a s VAL 67 N -2.71 0.08 -0.06 12.58 -7.23 -1.26 -4.12 120.40 117.68 3g3a s VAL 67 Ca -0.08 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 3g3a s VAL 67 Cb 0.07 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 3g3a s VAL 67 CO 0.76 -0.36 -0.12 -0.76 -0.31 0.00 0.00 175.10 174.30 3g3a s LEU 68 N -2.93 2.84 0.22 1.32 1.02 -1.26 -4.66 118.68 115.22 3g3a s LEU 68 Ca 0.13 -0.15 -0.30 0.00 0.02 0.00 0.00 54.13 53.83 3g3a s LEU 68 Cb 0.03 -1.59 -0.09 0.00 0.02 0.00 0.00 46.19 44.57 3g3a s LEU 68 CO -0.03 0.35 1.26 -2.84 0.02 0.00 0.00 176.35 175.11 3g3a s PRO 69 N -0.74 4.43 0.34 1.29 0.02 -1.26 -4.75 135.00 134.34 3g3a s PRO 69 Ca 0.11 2.00 0.21 0.00 0.02 0.00 0.00 61.00 63.34 3g3a s PRO 69 Cb -0.11 -3.19 1.20 0.00 0.02 0.00 0.00 34.50 32.42 3g3a s PRO 69 CO 0.01 -0.16 1.37 0.00 -0.33 0.00 0.00 177.00 177.88 3g3a n ALA 70 N 2.26 0.96 0.10 -1.55 0.00 -1.26 -1.13 120.51 119.90 3g3a n ALA 70 Ca 0.04 0.85 0.05 0.00 0.00 0.00 0.00 53.44 54.39 3g3a n ALA 70 Cb 0.43 -0.89 0.09 0.00 0.00 0.00 0.00 19.45 19.08 3g3a n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3a n GLY 71 N -1.28 1.30 0.38 0.00 0.00 -1.26 -4.57 105.19 99.77 3g3a n GLY 71 Ca 0.33 -0.31 0.28 0.00 0.00 0.00 0.00 46.02 46.33 3g3a n GLY 71 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3g3a h VAL 72 N 1.86 0.26 -0.60 1.61 -1.51 -1.21 -0.90 116.25 115.76 3g3a h VAL 72 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3g3a h VAL 72 Cb 0.57 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3g3a h VAL 72 CO 0.00 0.04 0.00 0.49 -1.23 0.00 0.00 177.57 176.87 3g3a n PHE 73 N -4.89 0.79 -0.22 5.19 3.72 -1.26 -4.49 117.46 116.29 3g3a n PHE 73 Ca 0.33 -0.44 0.16 0.00 -0.05 0.00 0.00 57.45 57.46 3g3a n PHE 73 Cb 1.13 -0.00 0.48 0.00 -0.94 0.00 0.00 39.48 40.15 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 3.99 0.45 -0.64 4.37 3.32 -1.41 -2.02 116.42 124.48 3g3a h ASP 74 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3g3a h ASP 74 Cb 0.95 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3g3a h ASP 74 CO 0.00 0.21 0.00 0.29 -1.72 0.00 0.00 179.24 178.02 3g3a n LYS 75 N -4.51 3.72 -2.71 3.56 4.76 -1.26 -4.69 118.16 117.03 3g3a n LYS 75 Ca 0.17 -2.82 -0.39 0.00 -2.87 0.00 0.00 58.31 52.40 3g3a n LYS 75 Cb 0.59 -1.90 0.01 0.00 -1.84 0.00 0.00 35.03 31.89 3g3a n LYS 75 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3g3a n LEU 76 N 1.11 6.93 -0.01 -0.35 4.77 -0.76 -4.51 117.00 124.18 3g3a n LEU 76 Ca 0.25 -5.42 0.14 0.00 -0.03 0.00 0.00 56.01 50.95 3g3a n LEU 76 Cb 0.89 -1.10 0.52 0.00 -2.33 0.00 0.00 43.42 41.40 3g3a n LEU 76 CO 0.24 2.06 0.81 0.35 -1.33 0.00 0.00 177.39 179.52 3g3a n THR 77 N 0.02 0.00 0.88 -5.08 -2.24 -1.26 -2.88 114.28 103.72 3g3a n THR 77 Ca 0.44 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 62.30 3g3a n THR 77 Cb 0.28 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.42 1.20 -1.59 -0.78 6.02 -1.26 -3.87 117.38 115.68 3g3a n GLN 78 Ca 0.08 -0.57 -0.54 0.00 -0.01 0.00 0.00 57.00 55.96 3g3a n GLN 78 Cb 0.32 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.13 3g3a n GLN 78 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3g3a n LEU 79 N -0.59 2.34 -0.11 1.08 7.94 -0.75 -4.40 117.00 122.52 3g3a n LEU 79 Ca 0.06 0.80 -0.14 0.00 -1.11 0.00 0.00 56.01 55.62 3g3a n LEU 79 Cb 0.37 -1.20 -0.11 0.00 0.53 0.00 0.00 43.42 43.01 3g3a n LEU 79 CO 0.30 -0.51 -1.19 0.35 -1.11 0.00 0.00 177.39 175.23 3g3a n THR 80 N 5.74 1.25 -4.80 1.96 -2.24 -0.32 -1.41 114.28 114.46 3g3a n THR 80 Ca 0.33 -0.54 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 3g3a n THR 80 Cb 0.18 -1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 67.13 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 -2.44 1.52 -0.09 -0.78 -0.21 -1.07 -0.29 119.66 116.30 3g3a s GLN 81 Ca -0.25 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 3g3a s GLN 81 Cb 0.07 -1.40 0.04 0.00 1.00 0.00 0.00 33.01 32.72 3g3a s GLN 81 CO 0.55 0.30 0.21 -1.17 -2.12 0.00 0.00 175.29 173.06 3g3a s LEU 82 N -0.18 0.65 -0.15 2.90 2.96 -0.73 -2.08 118.68 122.04 3g3a s LEU 82 Ca 0.02 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3g3a s LEU 82 Cb -0.09 0.62 -0.00 0.00 0.50 0.00 0.00 46.19 47.22 3g3a s LEU 82 CO 0.01 -0.14 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.29 3g3a s SER 83 N 1.03 3.58 0.00 3.68 0.01 -0.95 -2.60 113.70 118.45 3g3a s SER 83 Ca -0.08 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.71 3g3a s SER 83 Cb -0.09 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.60 3g3a s SER 83 CO -0.06 0.10 0.20 0.18 0.41 0.00 0.00 173.24 174.06 3g3a n LEU 84 N 3.96 0.39 -4.57 2.44 4.77 -0.16 -1.78 117.00 122.05 3g3a n LEU 84 Ca -0.19 -0.48 -0.35 0.00 -0.03 0.00 0.00 56.01 54.95 3g3a n LEU 84 Cb 0.52 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 3g3a n LEU 84 CO 0.29 0.10 0.40 -0.46 -1.33 0.00 0.00 177.39 176.38 3g3a n ASN 85 N -0.18 -0.05 -2.54 -1.43 6.94 -0.75 -3.96 115.26 113.30 3g3a n ASN 85 Ca 0.00 0.62 -0.12 0.00 -0.02 0.00 0.00 54.58 55.06 3g3a n ASN 85 Cb 0.07 -1.36 0.06 0.00 -2.36 0.00 0.00 39.78 36.19 3g3a n ASN 85 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3g3a n ASP 86 N -1.44 -2.59 0.00 0.53 8.00 -0.64 -1.96 116.55 118.45 3g3a n ASP 86 Ca 0.12 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3g3a n ASP 86 Cb 0.50 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 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 -2.16 0.63 -1.24 -2.24 4.13 -1.08 -2.05 115.26 111.26 3g3a n ASN 87 Ca -0.15 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.04 3g3a n ASN 87 Cb 0.59 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.96 3g3a n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g3a n GLN 88 N 0.00 2.44 -2.17 3.52 6.02 0.96 -4.42 117.38 123.74 3g3a n GLN 88 Ca 0.00 -3.65 -0.42 0.00 -0.01 0.00 0.00 57.00 52.92 3g3a n GLN 88 Cb 0.00 -1.91 -0.03 0.00 1.02 0.00 0.00 30.24 29.32 3g3a n GLN 88 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g3a s LEU 89 N -3.40 4.38 -0.11 1.08 1.43 -1.10 -4.40 118.68 116.56 3g3a s LEU 89 Ca 0.44 2.36 0.19 0.00 -1.03 0.00 0.00 54.13 56.10 3g3a s LEU 89 Cb 0.39 -3.59 -0.27 0.00 0.03 0.00 0.00 46.19 42.74 3g3a s LEU 89 CO -0.02 -0.63 0.30 0.29 0.23 0.00 0.00 176.35 176.51 3g3a n LYS 90 N 3.61 0.67 -3.85 1.70 5.02 -1.26 -2.59 118.16 121.47 3g3a n LYS 90 Ca 0.10 -0.06 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 3g3a n LYS 90 Cb 0.42 -1.55 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 3g3a n LYS 90 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g3a s SER 91 N -5.15 0.02 -0.09 4.39 1.04 -1.26 -0.14 113.70 112.51 3g3a s SER 91 Ca -0.09 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.40 3g3a s SER 91 Cb 0.09 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.90 3g3a s SER 91 CO 0.86 -1.40 -0.17 -0.63 0.98 0.00 0.00 173.24 172.88 3g3a s ILE 92 N -2.14 2.70 0.18 -1.02 -1.09 -1.26 -4.76 121.20 113.80 3g3a s ILE 92 Ca 0.19 -0.81 -0.33 0.00 -2.23 0.00 0.00 60.65 57.47 3g3a s ILE 92 Cb -0.04 -2.08 -0.14 0.00 -1.58 0.00 0.00 42.46 38.62 3g3a s ILE 92 CO 0.09 0.55 1.42 -0.81 -1.23 0.00 0.00 174.94 174.96 3g3a n PRO 93 N 3.17 1.79 -1.64 2.79 -0.04 -1.26 -4.63 135.00 135.17 3g3a n PRO 93 Ca -0.18 0.64 -0.54 0.00 -0.04 0.00 0.00 63.50 63.38 3g3a n PRO 93 Cb 0.52 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.61 3g3a n PRO 93 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3g3a n ARG 94 N 2.54 1.21 -1.04 0.54 0.00 -1.26 -0.71 116.66 117.93 3g3a n ARG 94 Ca 0.15 0.44 -0.02 0.00 -0.00 0.00 0.00 57.85 58.42 3g3a n ARG 94 Cb 0.27 -2.11 -0.01 0.00 0.00 0.00 0.00 32.46 30.62 3g3a n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3g3a n GLY 95 N 3.25 0.50 0.37 5.14 0.00 -1.26 -4.93 105.19 108.25 3g3a n GLY 95 Ca 0.22 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 1.51 -0.00 4.61 0.00 -1.16 -2.62 119.26 121.60 3g3a h ALA 96 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g3a h ALA 96 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3g3a h ALA 96 CO 0.05 0.28 -0.48 1.19 0.00 0.00 0.00 179.25 180.28 3g3a n PHE 97 N -4.57 0.00 -0.57 0.00 3.72 -1.26 -4.52 117.46 110.25 3g3a n PHE 97 Ca 0.17 0.00 0.46 0.00 -0.05 0.00 0.00 57.45 58.03 3g3a n PHE 97 Cb 0.30 -0.13 0.75 0.00 -0.94 0.00 0.00 39.48 39.46 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 0.75 0.10 0.10 4.37 3.32 -1.87 -0.62 116.42 122.57 3g3a h ASP 98 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3g3a h ASP 98 Cb 0.54 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3g3a h ASP 98 CO 0.00 -0.10 -1.33 0.59 -1.72 0.00 0.00 179.24 176.68 3g3a n ASN 99 N -4.30 0.58 -4.14 6.45 4.13 -1.26 -4.75 115.26 111.97 3g3a n ASN 99 Ca 0.41 -0.48 -0.42 0.00 1.68 0.00 0.00 54.58 55.77 3g3a n ASN 99 Cb 1.73 1.28 -0.01 0.00 -1.54 0.00 0.00 39.78 41.24 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 -1.86 5.58 0.10 3.41 4.77 -0.24 -4.57 117.00 124.19 3g3a n LEU 100 Ca 0.01 -3.89 0.13 0.00 -0.03 0.00 0.00 56.01 52.23 3g3a n LEU 100 Cb 0.43 -1.66 0.44 0.00 -2.33 0.00 0.00 43.42 40.30 3g3a n LEU 100 CO 0.43 0.39 0.89 0.29 -1.33 0.00 0.00 177.39 178.06 3g3a n LYS 101 N 7.30 0.22 0.00 3.23 4.76 -1.26 -3.22 118.16 129.19 3g3a n LYS 101 Ca 0.50 0.23 0.10 0.00 -2.87 0.00 0.00 58.31 56.27 3g3a n LYS 101 Cb 0.43 -1.78 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 3g3a n LYS 101 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3g3a n SER 102 N -2.17 1.45 -4.61 4.39 7.64 -1.25 -5.01 113.62 114.07 3g3a n SER 102 Ca 0.05 -1.23 -0.49 0.00 1.01 0.00 0.00 58.87 58.21 3g3a n SER 102 Cb 0.38 0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 64.26 3g3a n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g3a n LEU 103 N -0.73 1.99 0.00 -3.43 4.77 -0.50 -4.22 117.00 114.89 3g3a n LEU 103 Ca 0.06 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 3g3a n LEU 103 Cb 0.38 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3g3a n LEU 103 CO 0.33 -0.97 -0.35 0.35 -1.33 0.00 0.00 177.39 175.42 3g3a n THR 104 N 2.14 0.00 -3.71 -5.08 -2.24 0.60 -4.98 114.28 101.01 3g3a n THR 104 Ca 0.16 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 3g3a n THR 104 Cb 0.24 0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.46 -0.48 -0.03 4.78 3.76 -0.81 -4.62 115.29 116.44 3g3a s HIS 105 Ca 0.00 1.06 -0.01 0.00 -0.15 0.00 0.00 55.06 55.96 3g3a s HIS 105 Cb 0.00 0.16 0.03 0.00 1.11 0.00 0.00 32.58 33.88 3g3a s HIS 105 CO 0.00 -0.29 0.05 -1.50 -0.85 0.00 0.00 174.74 172.15 3g3a s ILE 106 N 1.36 -0.04 -0.17 0.60 2.07 0.21 -1.78 121.20 123.46 3g3a s ILE 106 Ca -0.09 0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 3g3a s ILE 106 Cb -0.09 -0.11 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 3g3a s ILE 106 CO -0.11 0.07 -0.05 0.26 -1.91 0.00 0.00 174.94 173.20 3g3a s TRP 107 N 0.87 2.98 0.00 3.50 0.51 -1.07 -1.52 118.94 124.22 3g3a s TRP 107 Ca -0.07 -0.47 0.00 0.00 -2.12 0.00 0.00 56.10 53.44 3g3a s TRP 107 Cb -0.10 -1.98 0.00 0.00 -0.81 0.00 0.00 33.47 30.58 3g3a s TRP 107 CO -0.03 -0.17 0.00 1.28 -0.51 0.00 0.00 176.95 177.52 3g3a n LEU 108 N 3.83 0.00 -4.48 2.99 4.77 -1.26 -0.99 117.00 121.86 3g3a n LEU 108 Ca -0.18 -0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.48 3g3a n LEU 108 Cb 0.52 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.87 3g3a n LEU 108 CO 0.32 0.00 0.51 -1.48 -1.33 0.00 0.00 177.39 175.41 3g3a s LEU 109 N -1.07 0.58 -1.54 2.23 2.34 -1.26 -3.83 118.68 116.14 3g3a s LEU 109 Ca 0.00 1.37 -0.11 0.00 0.06 0.00 0.00 54.13 55.45 3g3a s LEU 109 Cb 0.00 -3.22 0.08 0.00 -0.56 0.00 0.00 46.19 42.49 3g3a s LEU 109 CO 0.00 -4.30 0.76 0.59 -1.06 0.00 0.00 176.35 172.34 3g3a n ASN 110 N -4.97 -2.92 -4.21 1.48 5.03 -1.26 -1.62 115.26 106.78 3g3a n ASN 110 Ca 0.04 -0.91 -0.26 0.00 0.87 0.00 0.00 54.58 54.32 3g3a n ASN 110 Cb 0.55 -3.35 -0.15 0.00 -1.02 0.00 0.00 39.78 35.81 3g3a n ASN 110 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3g3a s ASN 111 N -3.66 2.34 -1.52 6.41 -0.87 -1.25 -2.00 114.94 114.40 3g3a s ASN 111 Ca 0.47 -0.39 -0.08 0.00 -1.57 0.00 0.00 52.86 51.28 3g3a s ASN 111 Cb -0.25 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.25 40.72 3g3a s ASN 111 CO 0.87 0.22 2.75 -0.81 -2.57 0.00 0.00 177.10 177.57 3g3a n PRO 112 N 2.43 4.01 -1.62 -0.60 -0.04 -1.07 -4.77 135.00 133.34 3g3a n PRO 112 Ca -0.16 -2.65 -0.61 0.00 -0.04 0.00 0.00 63.50 60.04 3g3a n PRO 112 Cb 0.53 -2.75 -0.09 0.00 -0.04 0.00 0.00 33.50 31.15 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 2.97 1.75 -2.80 0.54 7.02 -1.19 -4.36 117.44 121.37 3g3a n TRP 113 Ca 0.73 0.77 -0.43 0.00 -1.02 0.00 0.00 57.50 57.55 3g3a n TRP 113 Cb 0.24 -2.36 -0.04 0.00 -2.42 0.00 0.00 31.31 26.73 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 4.17 6.18 0.00 -0.99 2.15 0.80 -0.90 116.67 128.08 3g3a s ASP 114 Ca 1.06 -0.87 0.26 0.00 0.43 0.00 0.00 52.55 53.43 3g3a s ASP 114 Cb -1.27 -2.44 0.60 0.00 -0.30 0.00 0.00 42.92 39.50 3g3a s ASP 114 CO 0.70 -1.50 1.48 0.00 -0.17 0.00 0.00 175.17 175.68 3g3a h ALA 116 N 4.26 0.97 -2.98 0.00 0.00 -1.91 -3.44 119.26 116.15 3g3a h ALA 116 Ca 0.00 -0.12 -0.63 0.00 0.00 0.00 0.00 54.91 54.17 3g3a h ALA 116 Cb 0.68 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 3g3a h ALA 116 CO 0.00 0.16 -0.46 0.00 0.00 0.00 0.00 179.25 178.95 3g3a h SER 118 N 5.93 0.00 0.29 0.00 0.02 -1.83 -2.46 113.55 115.49 3g3a h SER 118 Ca -0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 3g3a h SER 118 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3g3a h SER 118 CO 0.68 0.00 -0.08 0.44 -1.14 0.00 0.00 176.83 176.73 3g3a h ASP 119 N 0.00 0.00 0.42 3.07 3.32 -1.89 -1.61 116.42 119.73 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3g3a h ASP 119 CO 0.00 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 3g3a n ILE 120 N -3.62 1.13 0.13 0.35 0.13 -0.93 -4.00 119.36 112.55 3g3a n ILE 120 Ca -0.02 0.28 -0.02 0.00 -1.10 0.00 0.00 62.75 61.89 3g3a n ILE 120 Cb 0.19 -1.07 0.13 0.00 -0.84 0.00 0.00 39.64 38.05 3g3a n ILE 120 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3g3a h LEU 121 N 0.00 0.00 -0.01 9.51 -0.00 -1.52 -1.64 115.31 121.66 3g3a h LEU 121 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 3g3a h LEU 121 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 3g3a h LEU 121 CO 0.00 0.67 -0.04 0.22 -0.00 0.00 0.00 178.44 179.29 3g3a h TYR 122 N 0.00 -0.09 0.33 1.13 3.20 -1.80 -1.71 116.97 118.04 3g3a h TYR 122 Ca -0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3g3a h TYR 122 Cb 1.19 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3g3a h TYR 122 CO 0.00 -0.06 -0.16 1.25 -1.64 0.00 0.00 178.16 177.55 3g3a h LEU 123 N -0.06 -0.38 -1.11 2.82 5.85 -1.78 0.58 115.31 121.24 3g3a h LEU 123 Ca 0.02 -0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.83 3g3a h LEU 123 Cb 0.08 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 3g3a h LEU 123 CO -0.04 -0.15 0.61 -1.28 -0.34 0.00 0.00 178.44 177.24 3g3a h SER 124 N -0.60 0.75 1.07 1.25 0.87 -1.32 0.25 113.55 115.82 3g3a h SER 124 Ca -0.05 0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.40 3g3a h SER 124 Cb 0.44 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 3g3a h SER 124 CO 0.08 0.31 -0.91 0.03 -0.53 0.00 0.00 176.83 175.80 3g3a h ARG 125 N 0.75 0.00 -0.27 2.24 3.08 -1.23 -3.11 114.38 115.85 3g3a h ARG 125 Ca 0.54 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.57 3g3a h ARG 125 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3g3a h ARG 125 CO -0.31 0.91 0.09 2.35 -1.07 0.00 0.00 179.97 181.94 3g3a h TRP 126 N 0.00 0.44 -0.60 3.04 7.01 0.10 -2.20 115.95 123.74 3g3a h TRP 126 Ca -0.01 -0.04 -0.10 0.00 2.11 0.00 0.00 58.89 60.85 3g3a h TRP 126 Cb 1.70 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 28.61 3g3a h TRP 126 CO 0.00 0.46 0.01 0.82 -2.79 0.00 0.00 178.44 176.94 3g3a h ILE 127 N 0.28 1.27 0.00 2.65 2.04 -1.17 -0.01 117.51 122.57 3g3a h ILE 127 Ca 0.09 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 3g3a h ILE 127 Cb 0.23 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3g3a h ILE 127 CO -0.00 0.42 -0.36 0.28 0.00 0.00 0.00 178.15 178.48 3g3a h SER 128 N 0.96 0.00 0.54 1.72 0.02 -1.56 -2.50 113.55 112.74 3g3a h SER 128 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3g3a h SER 128 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3g3a h SER 128 CO 0.03 0.36 -0.52 0.00 -1.14 0.00 0.00 176.83 175.56 3g3a n GLN 129 N -3.85 0.04 -2.61 3.45 1.13 -0.83 -4.30 117.38 110.41 3g3a n GLN 129 Ca -0.01 0.01 -0.20 0.00 -1.94 0.00 0.00 57.00 54.85 3g3a n GLN 129 Cb 0.43 -1.52 0.01 0.00 0.11 0.00 0.00 30.24 29.27 3g3a n GLN 129 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3g3a n HIS 130 N -1.57 2.54 0.33 1.08 8.25 -0.06 -4.94 115.22 120.85 3g3a n HIS 130 Ca 0.05 -3.11 0.14 0.00 -0.26 0.00 0.00 57.72 54.55 3g3a n HIS 130 Cb 0.35 -0.23 0.61 0.00 1.12 0.00 0.00 29.99 31.84 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 2.77 0.00 -0.04 -0.41 0.13 -1.70 -0.56 132.00 132.20 3g3a h PRO 131 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3g3a h PRO 131 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3g3a h PRO 131 CO 0.71 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 3g3a n GLY 132 N -0.19 0.05 0.00 1.56 0.00 -1.26 -4.49 105.19 100.86 3g3a n GLY 132 Ca 0.01 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 0.20 0.55 -4.57 0.99 4.77 -0.22 -4.89 117.00 113.82 3g3a n LEU 133 Ca 0.19 -0.40 -0.35 0.00 -0.03 0.00 0.00 56.01 55.41 3g3a n LEU 133 Cb 0.35 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 3g3a n LEU 133 CO 0.16 0.14 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.40 3g3a s VAL 134 N -2.48 4.57 -0.04 4.08 1.01 -1.26 -0.61 120.40 125.67 3g3a s VAL 134 Ca 0.03 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.97 3g3a s VAL 134 Cb 0.11 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3g3a s VAL 134 CO 0.59 0.43 -0.23 -0.36 0.00 0.00 0.00 175.10 175.53 3g3a s PHE 135 N 0.68 2.16 0.00 5.22 0.08 -0.57 0.51 117.98 126.06 3g3a s PHE 135 Ca 0.03 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.55 3g3a s PHE 135 Cb -0.13 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3g3a s PHE 135 CO 0.02 -0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.43 3g3a n GLY 136 N 2.76 1.76 0.19 4.36 0.00 -0.44 -4.34 105.19 109.47 3g3a n GLY 136 Ca -0.17 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.08 3g3a n GLY 136 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g3a h TYR 137 N 0.00 0.00 0.00 1.61 0.05 -1.98 -3.39 116.97 113.25 3g3a h TYR 137 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3g3a h TYR 137 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3g3a h TYR 137 CO 0.00 0.38 -1.02 1.28 -1.05 0.00 0.00 178.16 177.76 3g3a n LEU 138 N -3.75 0.00 -3.84 3.88 4.77 -1.26 -5.14 117.00 111.67 3g3a n LEU 138 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3g3a n LEU 138 Cb 0.46 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3g3a n LEU 138 CO 0.37 0.00 1.22 0.54 -1.33 0.00 0.00 177.39 178.19 3g3a s ASN 139 N -2.10 -0.00 0.14 -1.43 2.20 -1.26 -5.15 114.94 107.34 3g3a s ASN 139 Ca -0.00 -0.00 -0.34 0.00 -0.94 0.00 0.00 52.86 51.58 3g3a s ASN 139 Cb 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 41.25 39.12 3g3a s ASN 139 CO 0.02 -0.01 1.62 -0.11 -2.94 0.00 0.00 177.10 175.68 3g3a n LEU 140 N -0.78 3.21 -3.11 3.54 7.94 -1.26 -1.33 117.00 125.21 3g3a n LEU 140 Ca -0.00 1.07 0.02 0.00 -1.11 0.00 0.00 56.01 55.98 3g3a n LEU 140 Cb 0.61 -1.43 -0.00 0.00 0.53 0.00 0.00 43.42 43.12 3g3a n LEU 140 CO 0.12 -0.22 0.20 -0.62 -1.11 0.00 0.00 177.39 175.75 3g3a s ASP 141 N 1.28 -1.24 0.00 1.96 -1.08 0.18 -4.83 116.67 112.94 3g3a s ASP 141 Ca 0.80 -0.44 0.24 0.00 -0.52 0.00 0.00 52.55 52.63 3g3a s ASP 141 Cb -0.66 1.62 1.18 0.00 -1.46 0.00 0.00 42.92 43.60 3g3a s ASP 141 CO 0.39 -0.16 1.79 -0.81 0.52 0.00 0.00 175.17 176.90 3g3a n PRO 142 N 4.48 0.29 0.02 4.34 -0.04 -1.25 -2.27 135.00 140.57 3g3a n PRO 142 Ca 0.09 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 3g3a n PRO 142 Cb 0.58 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.93 3g3a n PRO 142 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3g3a n ASP 143 N -1.32 0.38 0.28 3.54 8.00 -1.26 -4.39 116.55 121.77 3g3a n ASP 143 Ca 0.10 0.18 0.16 0.00 0.71 0.00 0.00 54.79 55.95 3g3a n ASP 143 Cb 0.21 -0.17 0.77 0.00 -0.02 0.00 0.00 41.12 41.91 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 0.00 0.00 -3.20 -2.24 4.64 -1.84 -3.37 113.55 107.54 3g3a h SER 144 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3g3a h SER 144 Cb 0.56 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.59 3g3a h SER 144 CO 0.00 0.07 1.03 0.00 -0.87 0.00 0.00 176.83 177.07 3g3a s ALA 145 N -3.93 2.98 0.10 5.18 0.00 -1.26 -4.17 121.76 120.65 3g3a s ALA 145 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 51.96 51.51 3g3a s ALA 145 Cb 0.11 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 3g3a s ALA 145 CO 0.54 -2.60 -0.22 1.03 0.00 0.00 0.00 175.76 174.51 3g3a s ARG 146 N 5.04 1.72 0.39 0.00 0.52 -1.26 -1.52 118.95 123.85 3g3a s ARG 146 Ca 0.52 -1.18 -0.27 0.00 -0.52 0.00 0.00 55.73 54.28 3g3a s ARG 146 Cb -0.10 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.23 3g3a s ARG 146 CO 0.29 0.49 1.36 0.00 0.02 0.00 0.00 175.30 177.45 3g3a h SER 148 N 2.81 0.33 0.13 0.00 0.87 -1.29 -0.98 113.55 115.42 3g3a h SER 148 Ca -0.50 -0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 59.76 3g3a h SER 148 Cb 1.24 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3g3a h SER 148 CO 0.63 0.31 -1.05 1.23 -0.53 0.00 0.00 176.83 177.42 3g3a h GLY 149 N 0.32 0.31 0.42 5.77 0.00 -1.93 -3.39 103.07 104.56 3g3a h GLY 149 Ca 0.09 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3g3a h GLY 149 CO -0.02 0.68 -1.42 -1.30 0.00 0.00 0.00 176.54 174.49 3g3a n THR 150 N -4.06 0.21 -1.66 4.70 -2.24 -1.25 -4.98 114.28 105.00 3g3a n THR 150 Ca -0.19 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.01 3g3a n THR 150 Cb 0.85 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3g3a n THR 150 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3g3a n ASN 151 N -2.25 -5.07 -4.85 3.42 2.85 -0.37 -4.98 115.26 104.00 3g3a n ASN 151 Ca -0.01 0.34 -0.32 0.00 -0.11 0.00 0.00 54.58 54.48 3g3a n ASN 151 Cb 0.52 -4.10 -0.06 0.00 1.24 0.00 0.00 39.78 37.37 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 -2.68 4.70 0.36 -0.44 -4.23 -1.26 -4.62 115.64 107.46 3g3a s THR 152 Ca 0.00 0.90 -0.28 0.00 -1.18 0.00 0.00 61.69 61.13 3g3a s THR 152 Cb 0.00 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.12 3g3a s THR 152 CO 0.00 -0.19 1.37 -2.84 -0.54 0.00 0.00 174.62 172.42 3g3a s PRO 153 N -3.01 4.23 0.31 3.99 0.02 -1.26 0.22 135.00 139.49 3g3a s PRO 153 Ca 0.54 2.34 0.03 0.00 0.02 0.00 0.00 61.00 63.93 3g3a s PRO 153 Cb -0.10 -3.00 0.62 0.00 0.02 0.00 0.00 34.50 32.03 3g3a s PRO 153 CO 0.18 -0.34 1.86 0.28 -0.33 0.00 0.00 177.00 178.65 3g3a h VAL 154 N 2.96 0.93 0.00 3.83 2.07 -1.55 -2.39 116.25 122.10 3g3a h VAL 154 Ca -0.50 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3g3a h VAL 154 Cb 1.23 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3g3a h VAL 154 CO 0.65 0.17 -0.09 0.08 0.02 0.00 0.00 177.57 178.39 3g3a h ARG 155 N 0.93 0.00 -0.00 1.57 0.11 -1.81 -2.32 114.38 112.86 3g3a h ARG 155 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 3g3a h ARG 155 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 3g3a h ARG 155 CO -0.22 0.09 -0.03 0.00 0.10 0.00 0.00 179.97 179.91 3g3a n ALA 156 N -2.43 2.52 -2.46 0.08 0.00 -0.90 -4.86 120.51 112.45 3g3a n ALA 156 Ca -0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 3g3a n ALA 156 Cb 0.18 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.68 4.23 0.38 0.00 1.01 -0.87 -5.03 120.40 117.44 3g3a s VAL 157 Ca 0.25 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.70 3g3a s VAL 157 Cb 0.20 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 3g3a s VAL 157 CO 0.49 0.04 0.73 0.42 0.00 0.00 0.00 175.10 176.79 3g3a s THR 158 N 1.78 4.81 0.24 3.92 -4.23 -1.26 -4.95 115.64 115.95 3g3a s THR 158 Ca 0.56 0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 61.57 3g3a s THR 158 Cb -0.26 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.08 3g3a s THR 158 CO 0.25 -0.46 1.90 -0.08 -0.54 0.00 0.00 174.62 175.68 3g3a h GLU 159 N 1.41 1.14 -0.26 3.99 4.81 -1.95 -3.01 114.58 120.70 3g3a h GLU 159 Ca -0.47 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 3g3a h GLU 159 Cb 1.19 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 3g3a h GLU 159 CO 0.64 0.75 -0.11 0.00 -0.73 0.00 0.00 179.01 179.56 3g3a h ALA 160 N 1.35 1.31 0.00 2.92 0.00 -2.03 -2.18 119.26 120.63 3g3a h ALA 160 Ca 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3g3a h ALA 160 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3g3a h ALA 160 CO -0.10 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.27 3g3a h SER 161 N 0.41 0.00 -2.36 0.00 4.64 -1.93 -3.45 113.55 110.86 3g3a h SER 161 Ca 0.08 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.89 3g3a h SER 161 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3g3a h SER 161 CO 0.03 0.00 -0.49 0.42 -0.87 0.00 0.00 176.83 175.92 3g3a s THR 162 N -3.60 4.92 -0.01 2.95 -4.23 -0.82 -4.92 115.64 109.93 3g3a s THR 162 Ca 0.00 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 3g3a s THR 162 Cb 0.09 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 3g3a s THR 162 CO 0.37 -0.24 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.58 3g3a s SER 163 N -3.63 0.94 0.00 3.99 0.15 -0.96 -4.84 113.70 109.35 3g3a s SER 163 Ca 0.33 -0.14 0.11 0.00 0.70 0.00 0.00 55.95 56.95 3g3a s SER 163 Cb -0.09 -0.12 0.55 0.00 -1.71 0.00 0.00 66.02 64.65 3g3a s SER 163 CO 0.27 0.09 1.28 -2.65 1.20 0.00 0.00 173.24 173.43 3g3a n PRO 164 N 2.92 0.13 0.04 5.44 -0.02 -1.26 -2.71 135.00 139.54 3g3a n PRO 164 Ca -0.14 0.21 -0.03 0.00 -2.02 0.00 0.00 63.50 61.52 3g3a n PRO 164 Cb 0.57 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.46 3g3a n PRO 164 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3g3a h SER 165 N 0.00 0.00 -0.09 2.55 4.64 -1.96 -3.29 113.55 115.40 3g3a h SER 165 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g3a h SER 165 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3g3a h SER 165 CO 0.00 0.77 0.00 0.29 -0.87 0.00 0.00 176.83 177.02 3g3a n LYS 166 N -3.08 1.53 0.00 4.77 5.02 -1.18 -5.14 118.16 120.08 3g3a n LYS 166 Ca -0.08 -0.45 0.12 0.00 -2.02 0.00 0.00 58.31 55.88 3g3a n LYS 166 Cb 0.90 -1.55 0.11 0.00 -0.02 0.00 0.00 35.03 34.47 3g3a n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88