#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3j s ASN 3 N 0.00 6.24 0.24 4.04 0.01 -1.26 -4.96 114.94 119.25 3g3j s ASN 3 Ca 0.00 2.00 -0.31 0.00 -0.71 0.00 0.00 52.86 53.84 3g3j s ASN 3 Cb 0.00 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.96 3g3j s ASN 3 CO 0.00 -0.85 1.40 -1.14 -1.51 0.00 0.00 177.10 175.00 3g3j n ARG 4 N -0.95 2.03 -2.22 -0.60 0.63 -1.26 -4.89 116.66 109.40 3g3j n ARG 4 Ca 0.09 0.72 -0.41 0.00 -0.92 0.00 0.00 57.85 57.34 3g3j n ARG 4 Cb 0.52 -2.37 -0.03 0.00 0.45 0.00 0.00 32.46 31.02 3g3j n ARG 4 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3g3j s SER 5 N 0.27 6.91 0.26 6.15 0.01 -1.26 -4.77 113.70 121.26 3g3j s SER 5 Ca 0.68 2.48 -0.30 0.00 1.31 0.00 0.00 55.95 60.13 3g3j s SER 5 Cb -0.65 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 62.86 3g3j s SER 5 CO 0.50 -0.47 1.15 -0.76 0.41 0.00 0.00 173.24 174.08 3g3j s LEU 6 N -0.94 4.51 -0.24 2.44 1.43 -0.09 -4.77 118.68 121.02 3g3j s LEU 6 Ca 0.52 2.30 -0.23 0.00 -1.03 0.00 0.00 54.13 55.70 3g3j s LEU 6 Cb -0.37 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 3g3j s LEU 6 CO 0.44 -0.25 0.73 -0.63 0.23 0.00 0.00 176.35 176.87 3g3j s ILE 7 N -0.83 4.91 -0.31 -0.59 -1.09 -1.26 -0.39 121.20 121.65 3g3j s ILE 7 Ca 0.47 1.36 -0.04 0.00 -2.23 0.00 0.00 60.65 60.22 3g3j s ILE 7 Cb -0.33 -4.03 0.04 0.00 -1.58 0.00 0.00 42.46 36.56 3g3j s ILE 7 CO 0.41 -0.01 0.04 -0.69 -1.23 0.00 0.00 174.94 173.46 3g3j s VAL 8 N 2.59 3.38 0.32 2.92 1.01 -0.29 -0.23 120.40 130.09 3g3j s VAL 8 Ca 0.31 -1.19 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 3g3j s VAL 8 Cb -0.15 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 3g3j s VAL 8 CO 0.08 -0.09 0.91 0.28 0.00 0.00 0.00 175.10 176.28 3g3j s THR 9 N 1.34 4.28 0.23 3.92 -1.32 0.09 -0.76 115.64 123.41 3g3j s THR 9 Ca -0.03 1.71 -0.06 0.00 -1.21 0.00 0.00 61.69 62.10 3g3j s THR 9 Cb -0.19 -3.96 0.03 0.00 -1.51 0.00 0.00 72.50 66.87 3g3j s THR 9 CO 0.01 0.12 0.41 1.07 -2.21 0.00 0.00 174.62 174.01 3g3j n THR 10 N 0.49 0.00 -3.80 5.08 5.66 -1.01 -1.95 114.28 118.74 3g3j n THR 10 Ca 0.02 -0.75 -0.12 0.00 -3.05 0.00 0.00 64.05 60.14 3g3j n THR 10 Cb 0.51 0.61 -0.10 0.00 -1.55 0.00 0.00 70.33 69.80 3g3j n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3g3j s ILE 11 N -2.53 0.05 -0.02 1.09 2.07 -1.26 -0.57 121.20 120.03 3g3j s ILE 11 Ca 0.12 -0.44 -0.30 0.00 -1.41 0.00 0.00 60.65 58.62 3g3j s ILE 11 Cb -0.02 -0.49 -0.05 0.00 0.13 0.00 0.00 42.46 42.03 3g3j s ILE 11 CO 0.09 -0.24 1.35 -0.76 -1.91 0.00 0.00 174.94 173.47 3g3j s LEU 12 N -0.99 4.30 -0.30 8.50 1.43 -1.26 -4.60 118.68 125.76 3g3j s LEU 12 Ca -0.11 2.02 -0.05 0.00 -1.03 0.00 0.00 54.13 54.96 3g3j s LEU 12 Cb -0.05 -3.56 0.18 0.00 0.03 0.00 0.00 46.19 42.79 3g3j s LEU 12 CO 0.02 -0.69 0.75 -0.70 0.23 0.00 0.00 176.35 175.96 3g3j s GLU 13 N 2.42 0.45 0.29 1.70 2.56 0.00 -4.98 118.70 121.14 3g3j s GLU 13 Ca 0.62 0.82 -0.29 0.00 0.00 0.00 0.00 54.97 56.11 3g3j s GLU 13 Cb -0.29 0.46 -0.10 0.00 2.00 0.00 0.00 34.13 36.19 3g3j s GLU 13 CO 0.25 -0.47 1.19 -1.21 -0.56 0.00 0.00 175.26 174.46 3g3j s GLU 14 N 2.88 4.52 -0.27 4.30 2.02 -1.25 -0.85 118.70 130.05 3g3j s GLU 14 Ca 0.13 1.97 0.12 0.00 0.02 0.00 0.00 54.97 57.21 3g3j s GLU 14 Cb -0.13 -3.15 0.78 0.00 0.10 0.00 0.00 34.13 31.73 3g3j s GLU 14 CO -0.18 0.04 1.77 -0.35 0.02 0.00 0.00 175.26 176.55 3g3j n PRO 15 N 1.13 4.32 -0.02 0.39 -0.04 -1.26 -4.90 135.00 134.62 3g3j n PRO 15 Ca -0.00 -3.13 -0.16 0.00 -0.04 0.00 0.00 63.50 60.17 3g3j n PRO 15 Cb 0.44 -2.23 -0.11 0.00 -0.04 0.00 0.00 33.50 31.55 3g3j n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3j h TYR 16 N 3.33 0.36 -2.83 0.54 0.05 -1.33 -1.39 116.97 115.70 3g3j h TYR 16 Ca 0.12 -0.20 -0.20 0.00 0.05 0.00 0.00 58.73 58.50 3g3j h TYR 16 Cb 2.12 -0.04 -0.31 0.00 1.01 0.00 0.00 36.73 39.51 3g3j h TYR 16 CO 1.16 1.01 -0.50 0.08 -1.05 0.00 0.00 178.16 178.87 3g3j s VAL 17 N -3.11 -0.40 0.05 -2.88 1.01 -0.34 -0.71 120.40 114.03 3g3j s VAL 17 Ca -0.15 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3g3j s VAL 17 Cb 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3g3j s VAL 17 CO 0.77 0.10 -0.01 -0.76 0.00 0.00 0.00 175.10 175.20 3g3j s LEU 18 N 2.31 2.36 0.01 3.92 1.02 0.24 -0.82 118.68 127.73 3g3j s LEU 18 Ca -0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 54.13 52.92 3g3j s LEU 18 Cb -0.12 0.28 -0.04 0.00 0.02 0.00 0.00 46.19 46.33 3g3j s LEU 18 CO -0.09 -0.59 1.10 -0.36 0.02 0.00 0.00 176.35 176.43 3g3j s PHE 19 N -3.70 3.50 0.37 0.29 2.99 -1.26 -0.88 117.98 119.29 3g3j s PHE 19 Ca 0.05 1.46 -0.27 0.00 0.00 0.00 0.00 56.93 58.17 3g3j s PHE 19 Cb 0.06 -3.29 -0.11 0.00 0.00 0.00 0.00 43.02 39.68 3g3j s PHE 19 CO -0.09 -0.73 1.32 1.63 -0.00 0.00 0.00 175.22 177.35 3g3j n LYS 20 N 4.13 2.18 -2.70 0.44 5.02 -0.16 -4.88 118.16 122.19 3g3j n LYS 20 Ca 0.08 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.72 3g3j n LYS 20 Cb 0.48 -2.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 3g3j n LYS 20 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3g3j s LYS 21 N -2.01 4.52 0.01 1.97 1.02 -1.26 -5.01 119.74 118.99 3g3j s LYS 21 Ca 0.56 1.42 -0.28 0.00 0.02 0.00 0.00 55.97 57.69 3g3j s LYS 21 Cb -0.53 -3.48 0.07 0.00 -0.52 0.00 0.00 37.83 33.36 3g3j s LYS 21 CO 0.61 -0.13 0.63 0.45 -0.92 0.00 0.00 175.35 176.00 3g3j s SER 22 N 1.04 -0.60 -0.13 2.83 0.15 -1.26 -5.06 113.70 110.66 3g3j s SER 22 Ca 0.51 0.46 -0.22 0.00 0.70 0.00 0.00 55.95 57.41 3g3j s SER 22 Cb -0.20 0.54 -0.25 0.00 -1.71 0.00 0.00 66.02 64.40 3g3j s SER 22 CO 0.25 -0.71 0.56 0.44 1.20 0.00 0.00 173.24 174.98 3g3j h ASP 23 N 2.75 0.19 -3.95 5.45 3.32 -2.07 -3.46 116.42 118.65 3g3j h ASP 23 Ca -0.29 -0.81 -0.51 0.00 0.02 0.00 0.00 57.03 55.44 3g3j h ASP 23 Cb 1.19 -0.06 0.05 0.00 0.22 0.00 0.00 39.33 40.73 3g3j h ASP 23 CO 0.39 1.39 0.51 -1.59 -1.72 0.00 0.00 179.24 178.22 3g3j s LYS 24 N -2.37 4.04 0.40 3.56 -2.85 -1.26 -4.96 119.74 116.29 3g3j s LYS 24 Ca -0.21 1.84 -0.27 0.00 -1.00 0.00 0.00 55.97 56.33 3g3j s LYS 24 Cb 0.02 -2.66 -0.10 0.00 -2.06 0.00 0.00 37.83 33.03 3g3j s LYS 24 CO 0.71 -0.34 1.45 -1.25 0.10 0.00 0.00 175.35 176.02 3g3j s PRO 25 N -2.32 3.96 0.16 1.78 0.04 -1.26 -5.03 135.00 132.32 3g3j s PRO 25 Ca 0.57 2.48 0.04 0.00 0.04 0.00 0.00 61.00 64.13 3g3j s PRO 25 Cb -0.31 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 3g3j s PRO 25 CO 0.39 -0.62 0.17 -0.51 0.04 0.00 0.00 177.00 176.47 3g3j s LEU 26 N -2.33 3.94 0.07 -3.56 1.43 -1.26 -5.13 118.68 111.84 3g3j s LEU 26 Ca 0.56 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 3g3j s LEU 26 Cb -0.45 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 3g3j s LEU 26 CO 0.59 0.07 -0.18 -0.31 0.23 0.00 0.00 176.35 176.76 3g3j s TYR 27 N -1.73 1.52 0.00 0.29 1.51 -1.26 -4.80 117.35 112.88 3g3j s TYR 27 Ca 0.32 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 3g3j s TYR 27 Cb -0.10 -0.86 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 3g3j s TYR 27 CO 0.25 0.11 0.00 0.41 -1.11 0.00 0.00 175.55 175.21 3g3j n GLY 28 N 1.40 2.72 0.27 0.71 0.00 -1.26 -2.19 105.19 106.84 3g3j n GLY 28 Ca -0.19 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.57 3g3j n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3j h ASN 29 N 9.79 0.00 0.31 1.61 2.35 -1.93 -2.41 115.58 125.30 3g3j h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g3j h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g3j h ASN 29 CO 0.00 0.09 0.00 -0.67 -1.65 0.00 0.00 177.43 175.20 3g3j n ASP 30 N -3.54 0.61 0.25 5.81 2.03 -0.93 -2.31 116.55 118.47 3g3j n ASP 30 Ca -0.02 0.72 0.12 0.00 0.52 0.00 0.00 54.79 56.14 3g3j n ASP 30 Cb 0.22 -0.83 0.62 0.00 -0.72 0.00 0.00 41.12 40.41 3g3j n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3g3j h ARG 31 N 0.00 0.00 -6.38 -0.67 3.08 -1.53 -3.46 114.38 105.42 3g3j h ARG 31 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3g3j h ARG 31 Cb 0.15 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.07 3g3j h ARG 31 CO 0.00 0.15 -0.68 -0.06 -1.07 0.00 0.00 179.97 178.31 3g3j s PHE 32 N -3.87 2.93 0.20 3.04 0.08 -0.98 -0.99 117.98 118.40 3g3j s PHE 32 Ca -0.01 -0.05 -0.09 0.00 0.12 0.00 0.00 56.93 56.90 3g3j s PHE 32 Cb 0.11 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 3g3j s PHE 32 CO 0.60 0.46 0.34 -1.83 -0.10 0.00 0.00 175.22 174.69 3g3j s GLU 33 N -2.19 1.31 0.00 0.44 -1.05 -0.06 -4.79 118.70 112.36 3g3j s GLU 33 Ca 0.24 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 3g3j s GLU 33 Cb -0.11 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3g3j s GLU 33 CO 0.16 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.28 3g3j n GLY 34 N -0.29 1.67 0.13 -3.83 0.00 -1.26 -0.59 105.19 101.03 3g3j n GLY 34 Ca -0.04 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 3g3j n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g3j h TYR 35 N 0.00 -0.10 0.00 1.61 3.20 -0.83 -0.57 116.97 120.28 3g3j h TYR 35 Ca 0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3g3j h TYR 35 Cb 0.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3g3j h TYR 35 CO 0.00 -0.10 -0.34 0.00 -1.64 0.00 0.00 178.16 176.08 3g3j h ILE 37 N 0.00 1.29 -0.74 0.00 1.08 -1.41 -0.34 117.51 117.39 3g3j h ILE 37 Ca -0.00 -1.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.00 3g3j h ILE 37 Cb 0.70 1.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 3g3j h ILE 37 CO 0.04 0.47 0.44 0.44 -0.69 0.00 0.00 178.15 178.85 3g3j h ASP 38 N 0.51 0.90 -0.12 1.72 3.32 -0.84 -1.19 116.42 120.71 3g3j h ASP 38 Ca 0.05 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.04 3g3j h ASP 38 Cb 0.87 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3g3j h ASP 38 CO 0.07 0.70 0.06 0.25 -1.72 0.00 0.00 179.24 178.61 3g3j h LEU 39 N 1.01 0.10 -0.77 1.55 5.85 -0.99 -1.47 115.31 120.58 3g3j h LEU 39 Ca 0.26 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.04 3g3j h LEU 39 Cb -0.02 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3g3j h LEU 39 CO -0.05 0.08 0.46 0.25 -0.34 0.00 0.00 178.44 178.84 3g3j h LEU 40 N 0.13 0.72 -0.72 2.25 5.85 -0.79 0.03 115.31 122.79 3g3j h LEU 40 Ca 0.05 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3g3j h LEU 40 Cb 0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3g3j h LEU 40 CO -0.03 0.47 0.27 -0.09 -0.34 0.00 0.00 178.44 178.72 3g3j h ARG 41 N 0.86 1.10 -0.61 1.25 2.43 -0.90 -0.00 114.38 118.50 3g3j h ARG 41 Ca 0.34 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3g3j h ARG 41 Cb 0.16 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3g3j h ARG 41 CO -0.17 0.91 0.20 0.93 -1.51 0.00 0.00 179.97 180.33 3g3j h GLU 42 N 1.05 0.94 -0.63 0.20 4.39 -0.57 -1.84 114.58 118.11 3g3j h GLU 42 Ca 0.24 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3g3j h GLU 42 Cb 0.24 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3g3j h GLU 42 CO -0.02 0.83 0.31 -0.07 -1.16 0.00 0.00 179.01 178.90 3g3j h LEU 43 N 0.86 0.82 -0.50 1.33 3.38 -0.62 -1.20 115.31 119.39 3g3j h LEU 43 Ca 0.20 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3g3j h LEU 43 Cb 0.27 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3g3j h LEU 43 CO -0.01 0.72 0.26 -1.28 0.09 0.00 0.00 178.44 178.22 3g3j h SER 44 N 0.87 0.39 -0.37 -0.43 0.87 -0.75 -0.55 113.55 113.58 3g3j h SER 44 Ca 0.22 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.64 3g3j h SER 44 Cb 0.11 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3g3j h SER 44 CO -0.03 0.27 -0.36 0.74 -0.53 0.00 0.00 176.83 176.92 3g3j h THR 45 N 0.52 1.27 -0.06 2.23 2.02 -1.13 0.32 112.91 118.07 3g3j h THR 45 Ca 0.21 -1.54 -0.21 0.00 0.77 0.00 0.00 66.41 65.65 3g3j h THR 45 Cb 0.10 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3g3j h THR 45 CO -0.14 0.51 -0.83 0.45 0.37 0.00 0.00 175.52 175.89 3g3j h HIS 46 N 0.76 0.68 -0.01 3.16 -0.00 -1.06 -3.35 115.15 115.33 3g3j h HIS 46 Ca 0.07 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 3g3j h HIS 46 Cb 0.95 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 3g3j h HIS 46 CO 0.06 1.12 -0.29 1.28 -0.00 0.00 0.00 177.93 180.10 3g3j n LEU 47 N -3.82 1.86 -2.63 2.43 4.77 -0.23 -5.02 117.00 114.36 3g3j n LEU 47 Ca -0.06 -0.81 -0.11 0.00 -0.03 0.00 0.00 56.01 55.01 3g3j n LEU 47 Cb 0.77 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.91 3g3j n LEU 47 CO 0.50 0.35 0.05 0.61 -1.33 0.00 0.00 177.39 177.57 3g3j n GLY 48 N 1.17 -0.26 3.24 -0.72 0.00 0.06 -5.03 105.19 103.65 3g3j n GLY 48 Ca 0.08 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3g3j n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g3j s PHE 49 N -3.25 1.32 0.38 1.61 -0.12 -0.95 -5.06 117.98 111.91 3g3j s PHE 49 Ca 0.14 -0.66 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 3g3j s PHE 49 Cb -0.02 -0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 41.68 3g3j s PHE 49 CO 0.49 0.12 0.39 0.95 -0.05 0.00 0.00 175.22 177.11 3g3j s THR 50 N -2.76 3.20 0.17 -4.49 -4.23 -1.26 -4.68 115.64 101.59 3g3j s THR 50 Ca 0.13 -1.26 -0.18 0.00 -1.18 0.00 0.00 61.69 59.20 3g3j s THR 50 Cb -0.01 -3.12 0.04 0.00 1.34 0.00 0.00 72.50 70.75 3g3j s THR 50 CO 0.02 -0.08 0.50 -0.72 -0.54 0.00 0.00 174.62 173.80 3g3j s TYR 51 N -2.36 -0.22 -0.10 3.99 -0.85 -1.26 -0.91 117.35 115.64 3g3j s TYR 51 Ca 0.46 -0.09 -0.01 0.00 -0.52 0.00 0.00 57.07 56.92 3g3j s TYR 51 Cb -0.06 0.39 0.03 0.00 0.38 0.00 0.00 41.96 42.70 3g3j s TYR 51 CO 0.29 -0.85 -0.05 -2.00 -1.52 0.00 0.00 175.55 171.42 3g3j s GLU 52 N -3.83 1.24 -0.04 -3.49 2.12 0.48 -4.85 118.70 110.33 3g3j s GLU 52 Ca 0.06 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.96 3g3j s GLU 52 Cb -0.00 -1.41 -0.03 0.00 0.26 0.00 0.00 34.13 32.95 3g3j s GLU 52 CO -0.07 -0.28 0.93 0.42 -0.54 0.00 0.00 175.26 175.72 3g3j s ILE 53 N 1.79 4.88 -0.09 -3.70 1.01 -1.26 -1.14 121.20 122.70 3g3j s ILE 53 Ca 0.05 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.64 3g3j s ILE 53 Cb -0.12 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.10 3g3j s ILE 53 CO -0.07 0.14 -0.07 -0.13 0.00 0.00 0.00 174.94 174.81 3g3j s ARG 54 N 1.22 1.29 0.20 2.79 0.52 0.06 -4.89 118.95 120.14 3g3j s ARG 54 Ca 0.48 -0.20 -0.31 0.00 -0.52 0.00 0.00 55.73 55.19 3g3j s ARG 54 Cb -0.20 -1.34 -0.10 0.00 0.52 0.00 0.00 34.95 33.84 3g3j s ARG 54 CO 0.24 -0.19 1.45 -0.51 0.02 0.00 0.00 175.30 176.30 3g3j s LEU 55 N 1.45 4.38 0.10 2.53 1.43 -1.26 -2.42 118.68 124.89 3g3j s LEU 55 Ca -0.01 2.56 -0.36 0.00 -1.03 0.00 0.00 54.13 55.29 3g3j s LEU 55 Cb -0.13 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.32 3g3j s LEU 55 CO -0.04 -0.70 1.38 0.55 0.23 0.00 0.00 176.35 177.76 3g3j n VAL 56 N 3.03 0.00 -0.10 -1.59 3.14 0.27 -4.86 118.33 118.22 3g3j n VAL 56 Ca 0.09 -0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.42 3g3j n VAL 56 Cb 0.40 -0.93 0.13 0.00 -1.06 0.00 0.00 33.84 32.39 3g3j n VAL 56 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3g3j h GLU 57 N 4.76 0.79 -0.07 1.45 4.81 -1.91 -2.34 114.58 122.07 3g3j h GLU 57 Ca -0.47 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 3g3j h GLU 57 Cb 1.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3g3j h GLU 57 CO 0.79 0.84 0.00 -0.40 -0.73 0.00 0.00 179.01 179.52 3g3j n ASP 58 N -4.18 1.49 -0.61 1.04 5.75 -1.26 -4.95 116.55 113.83 3g3j n ASP 58 Ca 0.02 -1.55 -0.08 0.00 -0.01 0.00 0.00 54.79 53.16 3g3j n ASP 58 Cb 0.35 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 3g3j n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3j n GLY 59 N 1.15 0.96 3.48 6.12 0.00 -0.88 -4.96 105.19 111.06 3g3j n GLY 59 Ca 0.18 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3g3j n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3j s LYS 60 N -2.43 1.74 -0.06 1.61 1.02 -1.26 -5.01 119.74 115.36 3g3j s LYS 60 Ca 0.00 -1.43 -0.14 0.00 0.02 0.00 0.00 55.97 54.42 3g3j s LYS 60 Cb 0.00 -1.97 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 3g3j s LYS 60 CO 0.00 0.41 0.56 1.88 -0.92 0.00 0.00 175.35 177.28 3g3j h TYR 61 N 3.05 -0.30 0.00 3.18 0.05 -1.88 -2.28 116.97 118.79 3g3j h TYR 61 Ca -0.46 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3g3j h TYR 61 Cb 1.21 0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.05 3g3j h TYR 61 CO 0.68 -0.07 0.00 0.41 -1.05 0.00 0.00 178.16 178.13 3g3j n GLY 62 N 0.78 4.04 3.22 3.88 0.00 -0.57 -1.37 105.19 115.17 3g3j n GLY 62 Ca -0.06 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3g3j n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3j s ALA 63 N 0.00 0.05 -0.09 4.61 0.00 -1.23 -4.58 121.76 120.52 3g3j s ALA 63 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 3g3j s ALA 63 Cb 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 3g3j s ALA 63 CO 0.00 -0.52 0.33 -1.14 0.00 0.00 0.00 175.76 174.42 3g3j s GLN 64 N -3.92 4.01 0.04 0.00 0.74 -1.26 -2.09 119.66 117.18 3g3j s GLN 64 Ca 0.10 0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.41 3g3j s GLN 64 Cb 0.05 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 3g3j s GLN 64 CO -0.07 0.49 1.15 0.34 -0.55 0.00 0.00 175.29 176.65 3g3j s ASP 65 N -0.33 7.14 0.46 6.67 2.15 0.16 -4.93 116.67 127.99 3g3j s ASP 65 Ca 0.20 1.93 0.26 0.00 0.43 0.00 0.00 52.55 55.37 3g3j s ASP 65 Cb -0.14 -2.58 0.78 0.00 -0.30 0.00 0.00 42.92 40.68 3g3j s ASP 65 CO 0.08 -0.43 1.76 -2.24 -0.17 0.00 0.00 175.17 174.17 3g3j h ASP 66 N 6.83 0.00 0.01 -0.34 3.04 -1.96 -0.88 116.42 123.12 3g3j h ASP 66 Ca -0.41 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.27 3g3j h ASP 66 Cb 1.21 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.49 3g3j h ASP 66 CO 0.80 0.10 -0.60 1.62 -2.04 0.00 0.00 179.24 179.12 3g3j h VAL 67 N 0.00 1.40 -0.01 4.15 3.04 -1.98 -3.41 116.25 119.44 3g3j h VAL 67 Ca -0.00 -2.29 0.00 0.00 -1.01 0.00 0.00 66.70 63.40 3g3j h VAL 67 Cb 0.82 2.88 0.00 0.00 -2.01 0.00 0.00 31.29 32.99 3g3j h VAL 67 CO 0.01 0.49 -0.38 -0.46 -1.01 0.00 0.00 177.57 176.22 3g3j n ASN 68 N -4.50 1.52 0.00 3.17 0.23 -1.25 -4.99 115.26 109.44 3g3j n ASN 68 Ca -0.20 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.59 3g3j n ASN 68 Cb 0.59 0.53 0.00 0.00 -2.08 0.00 0.00 39.78 38.82 3g3j n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3j n GLY 69 N 1.17 0.47 3.83 4.83 0.00 -0.33 -5.00 105.19 110.17 3g3j n GLY 69 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3g3j n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3j s GLN 70 N -0.31 4.03 0.55 1.61 -1.52 -1.26 -4.68 119.66 118.08 3g3j s GLN 70 Ca 0.00 0.54 -0.08 0.00 -1.95 0.00 0.00 55.36 53.87 3g3j s GLN 70 Cb 0.00 -3.06 -0.04 0.00 -0.22 0.00 0.00 33.01 29.70 3g3j s GLN 70 CO 0.00 0.55 0.90 -1.58 -0.25 0.00 0.00 175.29 174.91 3g3j s TRP 71 N -1.32 3.59 0.15 0.91 0.52 -1.26 -0.67 118.94 120.86 3g3j s TRP 71 Ca 0.33 1.03 0.01 0.00 0.02 0.00 0.00 56.10 57.49 3g3j s TRP 71 Cb -0.16 -2.50 -0.00 0.00 -1.15 0.00 0.00 33.47 29.65 3g3j s TRP 71 CO 0.18 -0.48 0.04 0.27 0.02 0.00 0.00 176.95 176.98 3g3j n ASN 72 N -2.49 1.43 0.00 2.95 0.23 -0.89 -4.70 115.26 111.79 3g3j n ASN 72 Ca 0.03 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3g3j n ASN 72 Cb 0.55 0.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 3g3j n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3j n GLY 73 N 1.76 -0.01 0.26 4.83 0.00 -1.26 -1.87 105.19 108.90 3g3j n GLY 73 Ca -0.03 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.01 3g3j n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g3j h MET 74 N 0.00 0.36 -0.12 1.61 2.86 -0.60 -1.92 114.93 117.12 3g3j h MET 74 Ca 0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3g3j h MET 74 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3g3j h MET 74 CO 0.00 0.42 0.07 0.28 1.06 0.00 0.00 176.91 178.75 3g3j h VAL 75 N 0.35 1.06 -0.47 -2.22 2.07 -1.53 -1.84 116.25 113.67 3g3j h VAL 75 Ca 0.08 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3g3j h VAL 75 Cb 0.30 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3g3j h VAL 75 CO 0.01 0.06 0.06 -0.09 0.02 0.00 0.00 177.57 177.63 3g3j h ARG 76 N 0.13 0.75 -0.66 1.57 9.65 -0.92 -1.22 114.38 123.68 3g3j h ARG 76 Ca 0.04 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3g3j h ARG 76 Cb 0.03 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 3g3j h ARG 76 CO -0.01 0.72 0.38 0.93 2.80 0.00 0.00 179.97 184.79 3g3j h GLU 77 N 0.71 0.90 -0.12 0.20 5.08 -0.87 -1.28 114.58 119.21 3g3j h GLU 77 Ca 0.15 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3g3j h GLU 77 Cb 0.35 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3g3j h GLU 77 CO 0.01 0.65 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.52 3g3j h LEU 78 N 0.92 0.28 -0.83 1.33 3.38 -0.95 0.89 115.31 120.33 3g3j h LEU 78 Ca 0.24 -0.44 0.13 0.00 0.09 0.00 0.00 57.88 57.90 3g3j h LEU 78 Cb -0.01 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 3g3j h LEU 78 CO -0.04 0.66 0.44 0.40 0.09 0.00 0.00 178.44 179.99 3g3j h ILE 79 N -0.09 0.79 -0.16 1.22 2.04 -0.82 -1.32 117.51 119.16 3g3j h ILE 79 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3g3j h ILE 79 Cb 0.56 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3g3j h ILE 79 CO 0.02 0.12 0.00 0.47 0.00 0.00 0.00 178.15 178.76 3g3j n ASP 80 N -4.83 1.22 -3.35 1.72 8.00 -0.52 -4.91 116.55 113.88 3g3j n ASP 80 Ca 0.16 -1.74 -0.24 0.00 0.71 0.00 0.00 54.79 53.67 3g3j n ASP 80 Cb 0.38 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.40 3g3j n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g3j n HIS 81 N 0.07 -2.09 0.83 1.24 8.25 -0.50 -4.87 115.22 118.15 3g3j n HIS 81 Ca 0.13 0.64 0.13 0.00 -0.26 0.00 0.00 57.72 58.36 3g3j n HIS 81 Cb 0.24 -4.03 0.33 0.00 1.12 0.00 0.00 29.99 27.65 3g3j n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3j n LYS 82 N -4.19 0.11 -3.93 -0.41 5.02 0.28 -4.84 118.16 110.21 3g3j n LYS 82 Ca -0.04 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 3g3j n LYS 82 Cb 0.57 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 3g3j n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g3j s ALA 83 N -3.06 -0.10 -0.00 7.82 0.00 -1.17 -4.96 121.76 120.29 3g3j s ALA 83 Ca 0.10 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 3g3j s ALA 83 Cb 0.16 0.14 -0.30 0.00 0.00 0.00 0.00 23.12 23.12 3g3j s ALA 83 CO 0.66 -0.20 0.85 -0.44 0.00 0.00 0.00 175.76 176.63 3g3j h ASP 84 N 4.39 0.53 -4.99 0.00 3.32 -0.93 -3.42 116.42 115.32 3g3j h ASP 84 Ca -0.31 -0.70 -0.18 0.00 0.02 0.00 0.00 57.03 55.86 3g3j h ASP 84 Cb 1.20 -0.17 -0.19 0.00 0.22 0.00 0.00 39.33 40.39 3g3j h ASP 84 CO 0.42 1.58 -0.70 -0.76 -1.72 0.00 0.00 179.24 178.06 3g3j s LEU 85 N -7.17 2.32 -0.26 1.55 1.43 -1.01 -4.28 118.68 111.26 3g3j s LEU 85 Ca -0.11 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3g3j s LEU 85 Cb 0.06 0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.39 3g3j s LEU 85 CO 0.87 -0.37 -0.06 0.00 0.23 0.00 0.00 176.35 177.02 3g3j s ALA 86 N -2.18 2.69 -0.35 4.21 0.00 0.18 -0.73 121.76 125.57 3g3j s ALA 86 Ca -0.08 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.31 3g3j s ALA 86 Cb -0.05 -1.71 0.10 0.00 0.00 0.00 0.00 23.12 21.46 3g3j s ALA 86 CO -0.03 -0.99 0.09 0.08 0.00 0.00 0.00 175.76 174.91 3g3j s VAL 87 N 1.26 2.68 0.15 0.00 1.01 -0.82 -1.52 120.40 123.15 3g3j s VAL 87 Ca -0.03 -2.11 -0.25 0.00 0.00 0.00 0.00 61.98 59.59 3g3j s VAL 87 Cb -0.18 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.42 3g3j s VAL 87 CO -0.04 -0.54 1.00 0.00 0.00 0.00 0.00 175.10 175.51 3g3j s ALA 88 N 1.03 -1.67 -1.25 5.51 0.00 -1.26 -4.59 121.76 119.52 3g3j s ALA 88 Ca 0.07 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 3g3j s ALA 88 Cb -0.20 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3g3j s ALA 88 CO -0.06 -1.05 2.14 -0.35 0.00 0.00 0.00 175.76 176.44 3g3j n PRO 89 N -0.52 2.45 -3.56 0.00 -0.04 -1.26 -4.73 135.00 127.34 3g3j n PRO 89 Ca -0.06 -2.38 -0.41 0.00 -0.04 0.00 0.00 63.50 60.62 3g3j n PRO 89 Cb 0.61 -3.18 -0.11 0.00 -0.04 0.00 0.00 33.50 30.78 3g3j n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g3j s LEU 90 N 1.90 4.73 0.22 1.53 2.96 -1.26 -5.03 118.68 123.73 3g3j s LEU 90 Ca 0.50 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 3g3j s LEU 90 Cb 0.14 -2.07 -0.09 0.00 0.50 0.00 0.00 46.19 44.67 3g3j s LEU 90 CO -0.03 -0.36 1.29 0.00 -1.32 0.00 0.00 176.35 175.93 3g3j s ALA 91 N 1.62 3.51 -0.30 5.97 0.00 -1.26 -1.90 121.76 129.39 3g3j s ALA 91 Ca 0.04 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 3g3j s ALA 91 Cb -0.19 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.48 3g3j s ALA 91 CO 0.08 -0.52 1.13 0.42 0.00 0.00 0.00 175.76 176.87 3g3j s ILE 92 N -0.12 4.43 0.09 0.00 1.01 0.04 -4.89 121.20 121.75 3g3j s ILE 92 Ca 0.55 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.87 3g3j s ILE 92 Cb -0.36 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 3g3j s ILE 92 CO 0.40 -0.44 -0.07 0.42 0.00 0.00 0.00 174.94 175.25 3g3j s THR 93 N 3.77 0.70 0.14 2.92 -4.23 -1.26 -4.51 115.64 113.17 3g3j s THR 93 Ca 0.48 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 59.00 3g3j s THR 93 Cb -0.14 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.24 3g3j s THR 93 CO 0.16 -0.76 1.64 0.22 -0.54 0.00 0.00 174.62 175.35 3g3j h TYR 94 N 3.28 -0.57 -0.15 3.99 3.20 -1.98 -0.34 116.97 124.39 3g3j h TYR 94 Ca -0.36 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.46 3g3j h TYR 94 Cb 1.17 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 3g3j h TYR 94 CO 0.60 -0.30 -0.28 -0.39 -1.64 0.00 0.00 178.16 176.16 3g3j h VAL 95 N -0.24 1.26 -0.23 1.81 -1.51 -2.00 -2.27 116.25 113.07 3g3j h VAL 95 Ca 0.12 -1.22 -0.18 0.00 -1.23 0.00 0.00 66.70 64.20 3g3j h VAL 95 Cb 0.43 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3g3j h VAL 95 CO -0.34 0.37 -0.55 0.03 -1.23 0.00 0.00 177.57 175.85 3g3j h ARG 96 N 0.25 0.77 0.00 5.19 3.08 -1.87 -3.11 114.38 118.70 3g3j h ARG 96 Ca 0.04 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3g3j h ARG 96 Cb 0.63 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3g3j h ARG 96 CO 0.05 1.15 0.00 1.49 -1.07 0.00 0.00 179.97 181.59 3g3j h GLU 97 N 0.51 0.00 0.00 0.04 4.57 -0.68 0.09 114.58 119.12 3g3j h GLU 97 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3g3j h GLU 97 Cb 1.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3g3j h GLU 97 CO 0.12 0.00 -0.23 0.93 -1.18 0.00 0.00 179.01 178.65 3g3j h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.34 -3.37 114.58 116.87 3g3j h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g3j h GLU 98 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3g3j h GLU 98 CO 0.00 0.23 -0.95 1.33 -1.00 0.00 0.00 179.01 178.61 3g3j n VAL 99 N -3.64 0.00 -4.49 3.13 0.24 -0.21 -5.06 118.33 108.30 3g3j n VAL 99 Ca -0.01 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.05 3g3j n VAL 99 Cb 0.35 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.02 3g3j n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3g3j s ILE 100 N -1.91 0.84 -0.14 1.34 -4.36 -0.15 -4.32 121.20 112.49 3g3j s ILE 100 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3g3j s ILE 100 Cb 0.00 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.20 3g3j s ILE 100 CO 0.00 0.00 -0.18 -1.81 0.24 0.00 0.00 174.94 173.19 3g3j s ASP 101 N -3.55 2.85 0.02 4.36 1.01 -0.26 -4.27 116.67 116.83 3g3j s ASP 101 Ca 0.29 -0.54 -0.00 0.00 0.71 0.00 0.00 52.55 53.00 3g3j s ASP 101 Cb 0.05 -1.30 -0.04 0.00 1.01 0.00 0.00 42.92 42.64 3g3j s ASP 101 CO 0.14 0.01 0.11 -0.36 0.21 0.00 0.00 175.17 175.29 3g3j s PHE 102 N 1.12 3.34 1.03 4.23 0.08 -1.26 -0.96 117.98 125.56 3g3j s PHE 102 Ca -0.01 0.21 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 3g3j s PHE 102 Cb -0.14 -1.73 0.21 0.00 -0.57 0.00 0.00 43.02 40.78 3g3j s PHE 102 CO -0.06 0.57 1.07 -1.54 -0.10 0.00 0.00 175.22 175.15 3g3j s SER 103 N -1.98 2.17 0.88 1.36 1.04 -0.10 -4.95 113.70 112.12 3g3j s SER 103 Ca 0.26 1.55 -0.10 0.00 0.48 0.00 0.00 55.95 58.14 3g3j s SER 103 Cb -0.12 -2.23 0.13 0.00 0.10 0.00 0.00 66.02 63.89 3g3j s SER 103 CO 0.18 -3.47 1.12 -0.54 0.98 0.00 0.00 173.24 171.51 3g3j s LYS 104 N -4.70 1.29 0.42 4.02 1.02 -1.26 -4.47 119.74 116.06 3g3j s LYS 104 Ca 0.66 1.34 -0.25 0.00 0.02 0.00 0.00 55.97 57.75 3g3j s LYS 104 Cb -0.22 -1.77 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 3g3j s LYS 104 CO 0.60 -2.37 1.17 -2.14 -0.92 0.00 0.00 175.35 171.70 3g3j s PRO 105 N -4.74 3.96 0.00 -1.68 0.02 -1.26 -4.60 135.00 126.71 3g3j s PRO 105 Ca 0.65 1.83 0.22 0.00 0.02 0.00 0.00 61.00 63.72 3g3j s PRO 105 Cb -0.21 -2.60 -0.11 0.00 0.02 0.00 0.00 34.50 31.61 3g3j s PRO 105 CO 0.58 -0.40 0.97 1.97 -0.33 0.00 0.00 177.00 179.79 3g3j n PHE 106 N -0.10 0.01 -3.58 6.54 1.16 -0.13 -4.96 117.46 116.40 3g3j n PHE 106 Ca 0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.47 3g3j n PHE 106 Cb 0.47 -0.07 -0.07 0.00 -1.61 0.00 0.00 39.48 38.20 3g3j n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3g3j s MET 107 N -3.02 0.94 0.19 3.97 0.00 -1.25 -5.01 119.30 115.12 3g3j s MET 107 Ca 0.08 0.43 0.10 0.00 0.00 0.00 0.00 55.69 56.30 3g3j s MET 107 Cb 0.16 0.44 -0.04 0.00 0.00 0.00 0.00 34.83 35.39 3g3j s MET 107 CO 0.84 -0.24 -0.13 0.95 0.00 0.00 0.00 175.02 176.44 3g3j s THR 108 N -0.71 2.94 0.26 10.11 -4.23 -1.26 -1.19 115.64 121.55 3g3j s THR 108 Ca -0.08 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 3g3j s THR 108 Cb -0.02 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.43 3g3j s THR 108 CO 0.07 -0.14 0.87 0.00 -0.54 0.00 0.00 174.62 174.87 3g3j n LEU 109 N 0.02 0.00 -3.61 4.79 -0.00 -0.20 -4.84 117.00 113.16 3g3j n LEU 109 Ca -0.11 -1.83 -0.10 0.00 -0.00 0.00 0.00 56.01 53.97 3g3j n LEU 109 Cb 0.56 3.05 -0.03 0.00 -0.00 0.00 0.00 43.42 47.00 3g3j n LEU 109 CO 0.34 -0.61 0.30 -0.83 -0.00 0.00 0.00 177.39 176.60 3g3j s GLY 110 N -3.17 -0.32 0.32 1.47 0.00 -1.26 -1.19 107.32 103.18 3g3j s GLY 110 Ca 0.19 0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.67 3g3j s GLY 110 CO 0.08 -0.11 1.33 -0.42 0.00 0.00 0.00 173.10 173.97 3g3j s ILE 111 N -3.82 2.68 0.00 0.90 1.01 -1.26 -0.45 121.20 120.25 3g3j s ILE 111 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3g3j s ILE 111 Cb -0.01 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.04 3g3j s ILE 111 CO -0.08 0.15 0.00 -0.24 0.00 0.00 0.00 174.94 174.78 3g3j n SER 112 N 0.95 0.00 -4.17 3.58 2.88 0.15 -0.38 113.62 116.63 3g3j n SER 112 Ca 0.01 -0.48 -0.30 0.00 -1.33 0.00 0.00 58.87 56.76 3g3j n SER 112 Cb 0.41 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 3g3j n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3g3j s ILE 113 N -2.09 1.81 -0.20 2.46 1.01 -1.24 -1.42 121.20 121.53 3g3j s ILE 113 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3g3j s ILE 113 Cb 0.00 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3g3j s ILE 113 CO 0.00 0.50 0.10 -0.22 0.00 0.00 0.00 174.94 175.32 3g3j s LEU 114 N 0.44 3.97 0.31 2.97 2.96 0.23 -0.54 118.68 129.02 3g3j s LEU 114 Ca -0.18 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.78 3g3j s LEU 114 Cb -0.17 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.50 3g3j s LEU 114 CO 0.07 0.16 0.52 -0.47 -1.32 0.00 0.00 176.35 175.31 3g3j s TYR 115 N 0.48 0.64 0.48 5.38 5.04 -0.62 -0.99 117.35 127.77 3g3j s TYR 115 Ca 0.05 -0.99 -0.20 0.00 -2.44 0.00 0.00 57.07 53.49 3g3j s TYR 115 Cb -0.12 0.16 -0.09 0.00 0.35 0.00 0.00 41.96 42.26 3g3j s TYR 115 CO -0.00 -1.14 1.03 1.03 -1.34 0.00 0.00 175.55 175.13 3g3j s ARG 116 N -3.34 3.83 0.73 4.97 0.52 -1.26 -0.89 118.95 123.50 3g3j s ARG 116 Ca 0.25 1.34 -0.15 0.00 -0.52 0.00 0.00 55.73 56.66 3g3j s ARG 116 Cb -0.01 -2.10 0.04 0.00 0.52 0.00 0.00 34.95 33.40 3g3j s ARG 116 CO 0.14 -0.41 1.19 0.15 0.02 0.00 0.00 175.30 176.39 3g3j s LYS 117 N -3.24 2.18 0.00 3.54 1.02 -0.45 -4.59 119.74 118.20 3g3j s LYS 117 Ca 0.67 1.68 0.00 0.00 0.02 0.00 0.00 55.97 58.34 3g3j s LYS 117 Cb -0.16 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 3g3j s LYS 117 CO 0.20 -1.79 0.00 0.41 -0.92 0.00 0.00 175.35 173.25 3g3j n GLY 118 N 0.22 -0.03 3.40 -3.33 0.00 -1.26 -5.04 105.19 99.14 3g3j n GLY 118 Ca 0.13 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 3g3j n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g3j s THR 119 N -2.40 0.02 -1.45 2.61 -1.32 -1.26 -5.02 115.64 106.83 3g3j s THR 119 Ca 0.00 -0.14 0.29 0.00 -1.21 0.00 0.00 61.69 60.63 3g3j s THR 119 Cb 0.00 -0.79 0.45 0.00 -1.51 0.00 0.00 72.50 70.65 3g3j s THR 119 CO 0.00 -0.08 1.95 -0.81 -2.21 0.00 0.00 174.62 173.47 3g3j n PRO 120 N 1.71 0.46 -2.10 7.08 -0.04 -1.26 -4.85 135.00 136.00 3g3j n PRO 120 Ca -0.18 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.78 3g3j n PRO 120 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3g3j n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3g3j s ILE 121 N -2.59 3.48 0.00 0.52 -1.09 -1.26 -4.87 121.20 115.39 3g3j s ILE 121 Ca 0.27 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 3g3j s ILE 121 Cb 0.20 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 3g3j s ILE 121 CO 0.48 -0.01 0.23 -0.67 -1.23 0.00 0.00 174.94 173.74 3g3j n ASP 122 N 5.70 0.45 -3.72 3.58 2.03 -1.26 -4.85 116.55 118.48 3g3j n ASP 122 Ca 0.15 -0.75 -0.04 0.00 0.52 0.00 0.00 54.79 54.67 3g3j n ASP 122 Cb 0.42 0.31 -0.01 0.00 -0.72 0.00 0.00 41.12 41.12 3g3j n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3g3j s SER 123 N -0.31 -0.20 0.27 1.67 1.04 -1.26 -3.10 113.70 111.81 3g3j s SER 123 Ca 0.00 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 3g3j s SER 123 Cb 0.00 0.47 0.35 0.00 0.10 0.00 0.00 66.02 66.94 3g3j s SER 123 CO 0.00 -0.86 1.93 0.00 0.98 0.00 0.00 173.24 175.29 3g3j h ALA 124 N 2.00 1.35 -0.61 5.32 0.00 -1.97 -2.34 119.26 123.01 3g3j h ALA 124 Ca -0.24 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.71 3g3j h ALA 124 Cb 1.23 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3g3j h ALA 124 CO 0.26 0.57 0.23 -0.44 0.00 0.00 0.00 179.25 179.87 3g3j h ASP 125 N 1.25 0.23 -0.57 0.00 5.19 -1.95 0.42 116.42 120.98 3g3j h ASP 125 Ca 0.37 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.81 3g3j h ASP 125 Cb -0.06 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3g3j h ASP 125 CO -0.10 0.13 0.17 0.44 -3.12 0.00 0.00 179.24 176.76 3g3j h ASP 126 N 0.41 0.84 -0.65 6.45 3.32 -1.83 -2.47 116.42 122.50 3g3j h ASP 126 Ca 0.31 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3g3j h ASP 126 Cb 0.39 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3g3j h ASP 126 CO -0.31 0.83 0.34 -0.07 -1.72 0.00 0.00 179.24 178.31 3g3j h LEU 127 N 0.81 0.83 -1.45 1.55 3.38 -0.95 -3.13 115.31 116.35 3g3j h LEU 127 Ca 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3g3j h LEU 127 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3g3j h LEU 127 CO -0.00 0.71 -0.22 0.00 0.09 0.00 0.00 178.44 179.01 3g3j h ALA 128 N 1.16 1.55 0.00 1.53 0.00 -0.65 -2.53 119.26 120.31 3g3j h ALA 128 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g3j h ALA 128 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g3j h ALA 128 CO -0.03 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.18 3g3j n LYS 129 N -4.24 0.77 -4.20 0.00 5.02 -0.96 -4.87 118.16 109.68 3g3j n LYS 129 Ca -0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 3g3j n LYS 129 Cb 0.30 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3g3j n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3g3j s GLN 130 N -2.12 1.24 0.00 1.97 1.03 -0.95 -5.07 119.66 115.76 3g3j s GLN 130 Ca 0.38 -1.65 0.00 0.00 0.04 0.00 0.00 55.36 54.13 3g3j s GLN 130 Cb 0.19 0.28 0.00 0.00 0.03 0.00 0.00 33.01 33.50 3g3j s GLN 130 CO 0.34 -0.41 0.08 0.25 -2.54 0.00 0.00 175.29 173.01 3g3j n THR 131 N -0.29 0.00 -0.19 3.63 -2.24 -1.26 -4.83 114.28 109.10 3g3j n THR 131 Ca 0.02 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 3g3j n THR 131 Cb 0.66 1.63 0.01 0.00 -2.10 0.00 0.00 70.33 70.53 3g3j n THR 131 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3g3j h LYS 132 N 0.00 0.85 -5.36 -0.78 1.57 -1.97 -3.37 116.57 107.51 3g3j h LYS 132 Ca 0.00 -0.21 -0.64 0.00 -1.87 0.00 0.00 60.65 57.93 3g3j h LYS 132 Cb 0.32 -0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.38 3g3j h LYS 132 CO 0.00 0.82 0.04 0.42 -0.57 0.00 0.00 179.45 180.16 3g3j s ILE 133 N -5.28 4.96 0.72 1.86 1.01 -1.26 -4.93 121.20 118.28 3g3j s ILE 133 Ca -0.13 0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 3g3j s ILE 133 Cb 0.12 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3g3j s ILE 133 CO 0.80 -0.23 1.08 -1.61 0.00 0.00 0.00 174.94 174.98 3g3j s GLU 134 N 2.53 2.78 0.05 2.79 2.02 -0.72 -4.88 118.70 123.27 3g3j s GLU 134 Ca 0.22 0.67 -0.19 0.00 0.02 0.00 0.00 54.97 55.69 3g3j s GLU 134 Cb -0.15 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.13 3g3j s GLU 134 CO 0.13 -1.14 0.44 1.52 0.02 0.00 0.00 175.26 176.24 3g3j s TYR 135 N -3.20 -0.31 0.00 1.61 1.13 -1.26 -0.85 117.35 114.47 3g3j s TYR 135 Ca 0.58 0.29 0.00 0.00 -1.41 0.00 0.00 57.07 56.53 3g3j s TYR 135 Cb -0.13 0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.99 3g3j s TYR 135 CO 0.54 -0.60 0.00 0.41 -2.51 0.00 0.00 175.55 173.39 3g3j n GLY 136 N 0.45 1.85 3.85 5.49 0.00 -1.09 -4.74 105.19 110.99 3g3j n GLY 136 Ca -0.18 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 3g3j n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3j s ALA 137 N -1.00 -1.12 0.08 4.61 0.00 -1.18 -0.71 121.76 122.44 3g3j s ALA 137 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 3g3j s ALA 137 Cb 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.87 3g3j s ALA 137 CO 0.00 -1.03 1.49 0.08 0.00 0.00 0.00 175.76 176.30 3g3j s VAL 138 N -3.65 3.25 0.25 0.00 1.01 -1.26 -1.59 120.40 118.40 3g3j s VAL 138 Ca 0.12 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3g3j s VAL 138 Cb -0.06 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 3g3j s VAL 138 CO 0.08 0.03 1.52 -0.70 0.00 0.00 0.00 175.10 176.02 3g3j s GLU 139 N 1.85 4.21 -1.30 2.72 2.12 0.60 -3.10 118.70 125.79 3g3j s GLU 139 Ca 0.68 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.41 3g3j s GLU 139 Cb -0.37 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 30.93 3g3j s GLU 139 CO 0.30 -0.53 0.00 -0.25 -0.54 0.00 0.00 175.26 174.24 3g3j n ASP 140 N 2.58 -4.53 -3.72 -1.70 8.00 -1.26 -4.81 116.55 111.11 3g3j n ASP 140 Ca 0.09 0.02 -0.18 0.00 0.71 0.00 0.00 54.79 55.43 3g3j n ASP 140 Cb 0.39 -3.64 -0.01 0.00 -0.02 0.00 0.00 41.12 37.84 3g3j n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3j n GLY 141 N -1.03 3.17 0.21 0.44 0.00 -1.18 -1.50 105.19 105.30 3g3j n GLY 141 Ca -0.17 -2.27 -0.05 0.00 0.00 0.00 0.00 46.02 43.53 3g3j n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3j h ALA 142 N 0.85 0.98 -0.14 4.61 0.00 -1.88 -1.79 119.26 121.89 3g3j h ALA 142 Ca -0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 3g3j h ALA 142 Cb 0.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3g3j h ALA 142 CO 0.37 0.62 0.01 1.15 0.00 0.00 0.00 179.25 181.40 3g3j h THR 143 N 0.33 1.24 -0.39 0.00 2.02 -1.95 -0.14 112.91 114.02 3g3j h THR 143 Ca 0.03 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.49 3g3j h THR 143 Cb 0.86 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3g3j h THR 143 CO 0.07 0.23 0.09 -0.03 0.37 0.00 0.00 175.52 176.25 3g3j h MET 144 N -0.00 0.22 -0.68 6.66 -1.53 -1.71 -2.09 114.93 115.80 3g3j h MET 144 Ca 0.04 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.24 3g3j h MET 144 Cb 0.34 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.31 3g3j h MET 144 CO 0.01 0.15 0.23 1.15 0.14 0.00 0.00 176.91 178.58 3g3j h THR 145 N 0.23 1.24 -0.24 -0.77 2.02 -1.07 -0.26 112.91 114.06 3g3j h THR 145 Ca 0.19 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3g3j h THR 145 Cb 0.21 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3g3j h THR 145 CO -0.23 0.32 0.07 0.15 0.37 0.00 0.00 175.52 176.20 3g3j h PHE 146 N 1.00 0.12 -0.61 3.16 3.57 -0.49 -1.07 116.94 122.63 3g3j h PHE 146 Ca 0.22 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 3g3j h PHE 146 Cb 0.26 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3g3j h PHE 146 CO 0.02 0.05 0.08 0.74 -2.23 0.00 0.00 178.31 176.98 3g3j h PHE 147 N 0.17 1.08 -0.49 0.41 0.04 -0.95 -1.60 116.94 115.61 3g3j h PHE 147 Ca 0.11 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 3g3j h PHE 147 Cb 0.09 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 3g3j h PHE 147 CO -0.14 0.93 0.18 -0.22 -0.60 0.00 0.00 178.31 178.46 3g3j h LYS 148 N 0.92 0.71 0.00 1.51 3.64 -0.71 -2.74 116.57 119.89 3g3j h LYS 148 Ca 0.18 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3g3j h LYS 148 Cb 0.45 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3g3j h LYS 148 CO 0.01 0.60 -0.77 0.00 -2.27 0.00 0.00 179.45 177.02 3g3j h ARG 149 N 0.70 0.00 -6.79 1.90 3.08 -1.04 -3.48 114.38 108.73 3g3j h ARG 149 Ca 0.17 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.70 3g3j h ARG 149 Cb 0.17 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.25 3g3j h ARG 149 CO -0.01 0.00 0.53 0.45 -1.07 0.00 0.00 179.97 179.87 3g3j s SER 150 N -4.69 7.11 0.00 7.04 0.15 -0.61 -4.93 113.70 117.76 3g3j s SER 150 Ca 0.04 2.37 0.23 0.00 0.70 0.00 0.00 55.95 59.28 3g3j s SER 150 Cb 0.12 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 3g3j s SER 150 CO 0.75 -0.29 1.09 0.29 1.20 0.00 0.00 173.24 176.28 3g3j n LYS 151 N 1.38 1.02 -2.14 5.44 5.02 -1.26 -4.25 118.16 123.38 3g3j n LYS 151 Ca 0.00 -0.84 -0.40 0.00 -2.02 0.00 0.00 58.31 55.05 3g3j n LYS 151 Cb 0.44 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 3g3j n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g3j s ILE 152 N -2.55 2.77 0.10 -0.18 -1.09 -1.26 -4.87 121.20 114.11 3g3j s ILE 152 Ca 0.17 0.75 -0.22 0.00 -2.23 0.00 0.00 60.65 59.12 3g3j s ILE 152 Cb 0.18 -3.47 -0.13 0.00 -1.58 0.00 0.00 42.46 37.46 3g3j s ILE 152 CO 0.61 0.16 1.74 -1.28 -1.23 0.00 0.00 174.94 174.94 3g3j h SER 153 N 3.24 -0.01 -0.54 3.58 0.87 -1.99 -0.20 113.55 118.50 3g3j h SER 153 Ca -0.49 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.09 3g3j h SER 153 Cb 1.23 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 3g3j h SER 153 CO 0.65 0.00 0.34 0.74 -0.53 0.00 0.00 176.83 178.03 3g3j h THR 154 N 0.02 1.10 -0.02 2.23 2.02 -1.99 -1.22 112.91 115.04 3g3j h THR 154 Ca 0.01 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.76 3g3j h THR 154 Cb 0.01 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3g3j h THR 154 CO -0.02 0.13 -0.85 1.88 0.37 0.00 0.00 175.52 177.02 3g3j h TYR 155 N 0.69 0.46 -0.77 3.16 0.05 -1.87 -1.83 116.97 116.85 3g3j h TYR 155 Ca 0.21 -0.24 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3g3j h TYR 155 Cb -0.03 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 3g3j h TYR 155 CO -0.05 1.03 0.27 0.22 -1.05 0.00 0.00 178.16 178.58 3g3j h ASP 156 N 0.19 1.10 -0.31 3.88 3.58 -0.86 -0.25 116.42 123.74 3g3j h ASP 156 Ca -0.05 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 3g3j h ASP 156 Cb 1.47 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 3g3j h ASP 156 CO 0.14 1.00 0.12 0.50 -2.88 0.00 0.00 179.24 178.11 3g3j h LYS 157 N 1.14 0.47 -0.78 0.28 3.64 -1.08 -1.75 116.57 118.49 3g3j h LYS 157 Ca 0.25 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3g3j h LYS 157 Cb 0.27 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3g3j h LYS 157 CO -0.01 0.49 0.51 0.52 -2.27 0.00 0.00 179.45 178.69 3g3j h MET 158 N 0.35 0.99 -0.75 1.90 2.86 -1.08 -2.42 114.93 116.77 3g3j h MET 158 Ca 0.10 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3g3j h MET 158 Cb 0.20 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3g3j h MET 158 CO -0.01 0.65 0.27 2.35 1.06 0.00 0.00 176.91 181.24 3g3j h TRP 159 N 1.01 1.18 -0.88 -0.22 2.91 -0.79 -0.90 115.95 118.27 3g3j h TRP 159 Ca 0.30 -0.10 0.03 0.00 1.13 0.00 0.00 58.89 60.24 3g3j h TRP 159 Cb -0.06 -0.35 -0.05 0.00 -0.51 0.00 0.00 29.16 28.20 3g3j h TRP 159 CO -0.02 0.91 0.57 0.00 -1.03 0.00 0.00 178.44 178.87 3g3j h ALA 160 N 1.14 1.14 -0.22 2.65 0.00 -0.94 0.15 119.26 123.18 3g3j h ALA 160 Ca 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3g3j h ALA 160 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3g3j h ALA 160 CO -0.01 0.44 0.00 0.35 0.00 0.00 0.00 179.25 180.03 3g3j h PHE 161 N 1.12 0.43 -0.71 0.00 3.57 -1.03 -1.84 116.94 118.48 3g3j h PHE 161 Ca 0.34 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3g3j h PHE 161 Cb -0.04 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3g3j h PHE 161 CO -0.02 0.57 0.25 0.52 -2.23 0.00 0.00 178.31 177.41 3g3j h MET 162 N 0.16 1.09 -0.35 1.11 2.86 -0.71 -1.20 114.93 117.89 3g3j h MET 162 Ca 0.06 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 3g3j h MET 162 Cb 0.40 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3g3j h MET 162 CO 0.01 0.92 -0.17 0.66 1.06 0.00 0.00 176.91 179.39 3g3j h SER 163 N 1.04 0.74 -0.83 1.22 4.64 -0.72 0.05 113.55 119.69 3g3j h SER 163 Ca 0.23 -0.41 0.02 0.00 -0.47 0.00 0.00 61.79 61.16 3g3j h SER 163 Cb 0.26 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3g3j h SER 163 CO -0.01 0.99 0.54 0.77 -0.87 0.00 0.00 176.83 178.24 3g3j h SER 164 N 0.50 0.92 -0.64 4.97 4.64 -1.07 -2.89 113.55 119.99 3g3j h SER 164 Ca 0.08 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 3g3j h SER 164 Cb 0.70 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.52 3g3j h SER 164 CO 0.05 0.66 0.10 0.54 -0.87 0.00 0.00 176.83 177.31 3g3j n ARG 165 N -4.53 4.51 -0.01 4.77 1.74 -0.48 -4.75 116.66 117.92 3g3j n ARG 165 Ca 0.09 -3.13 0.07 0.00 -0.77 0.00 0.00 57.85 54.12 3g3j n ARG 165 Cb 0.04 -2.26 0.47 0.00 -1.02 0.00 0.00 32.46 29.69 3g3j n ARG 165 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3g3j h ARG 166 N 3.54 0.44 0.00 5.56 0.11 -0.76 -0.17 114.38 123.10 3g3j h ARG 166 Ca 0.10 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.12 3g3j h ARG 166 Cb 2.12 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 33.10 3g3j h ARG 166 CO 0.59 0.29 -0.14 1.96 0.10 0.00 0.00 179.97 182.77 3g3j h GLN 167 N 0.46 0.00 0.02 0.08 1.08 -1.86 -1.80 115.11 113.09 3g3j h GLN 167 Ca 0.19 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.01 3g3j h GLN 167 Cb 0.17 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 3g3j h GLN 167 CO -0.05 0.14 -2.36 0.45 -0.95 0.00 0.00 178.83 176.07 3g3j n SER 168 N -3.57 1.70 -0.01 1.46 2.88 -0.21 -4.75 113.62 111.13 3g3j n SER 168 Ca -0.01 -0.04 0.09 0.00 -1.33 0.00 0.00 58.87 57.58 3g3j n SER 168 Cb 0.28 -0.29 -0.14 0.00 -0.75 0.00 0.00 64.21 63.31 3g3j n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3g3j n VAL 169 N -3.22 0.00 -3.23 2.46 0.24 -0.43 -4.83 118.33 109.32 3g3j n VAL 169 Ca -0.41 -0.32 -0.39 0.00 -2.04 0.00 0.00 64.34 61.18 3g3j n VAL 169 Cb 1.03 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 3g3j n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3j s LEU 170 N -3.89 4.35 0.36 1.34 1.43 -0.69 -3.07 118.68 118.51 3g3j s LEU 170 Ca -0.03 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 3g3j s LEU 170 Cb 0.13 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 3g3j s LEU 170 CO 0.79 0.04 -0.03 0.68 0.23 0.00 0.00 176.35 178.06 3g3j s VAL 171 N 0.22 1.93 -0.96 -1.59 -7.23 -0.62 -4.81 120.40 107.33 3g3j s VAL 171 Ca 0.30 -2.09 0.24 0.00 -1.81 0.00 0.00 61.98 58.63 3g3j s VAL 171 Cb -0.17 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 3g3j s VAL 171 CO 0.15 -0.11 1.32 0.29 -0.31 0.00 0.00 175.10 176.43 3g3j n LYS 172 N -0.82 0.03 -3.49 4.82 4.76 -1.26 -0.29 118.16 121.91 3g3j n LYS 172 Ca -0.05 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.28 3g3j n LYS 172 Cb 0.65 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 32.30 3g3j n LYS 172 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3g3j s SER 173 N -3.12 -0.50 0.26 4.39 1.04 -1.26 -4.85 113.70 109.66 3g3j s SER 173 Ca 0.10 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 3g3j s SER 173 Cb 0.17 0.60 0.37 0.00 0.10 0.00 0.00 66.02 67.26 3g3j s SER 173 CO 0.73 -1.00 1.89 0.78 0.98 0.00 0.00 173.24 176.62 3g3j h ASN 174 N 2.04 1.07 -0.80 7.02 2.35 -1.94 -2.17 115.58 123.15 3g3j h ASN 174 Ca -0.32 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.48 3g3j h ASN 174 Cb 1.30 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.38 3g3j h ASN 174 CO 0.37 0.71 0.49 -0.08 -1.65 0.00 0.00 177.43 177.27 3g3j h GLU 175 N 1.23 0.90 -0.36 0.81 4.81 -1.97 -0.52 114.58 119.48 3g3j h GLU 175 Ca 0.42 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.50 3g3j h GLU 175 Cb 0.09 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3g3j h GLU 175 CO -0.15 0.59 -0.18 0.93 -0.73 0.00 0.00 179.01 179.47 3g3j h GLU 176 N 0.92 0.67 -0.71 1.92 5.08 -1.82 -1.78 114.58 118.86 3g3j h GLU 176 Ca 0.34 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3g3j h GLU 176 Cb 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3g3j h GLU 176 CO -0.15 0.81 0.27 0.78 -1.00 0.00 0.00 179.01 179.72 3g3j h GLY 177 N 0.98 1.15 0.98 -3.84 0.00 -0.76 -1.75 103.07 99.84 3g3j h GLY 177 Ca 0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3g3j h GLY 177 CO 0.05 0.60 0.18 -2.22 0.00 0.00 0.00 176.54 175.14 3g3j h ILE 178 N 1.02 1.23 -0.83 2.60 2.04 -0.83 -1.34 117.51 121.40 3g3j h ILE 178 Ca 0.24 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3g3j h ILE 178 Cb 0.23 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3g3j h ILE 178 CO -0.02 0.28 0.53 -0.61 0.00 0.00 0.00 178.15 178.34 3g3j h GLN 179 N 0.73 1.11 -0.45 2.37 5.75 -1.12 -1.25 115.11 122.25 3g3j h GLN 179 Ca 0.17 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.48 3g3j h GLN 179 Cb 0.26 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 3g3j h GLN 179 CO -0.01 0.75 -0.17 -0.09 -2.65 0.00 0.00 178.83 176.67 3g3j h ARG 180 N 1.14 0.86 -0.84 1.69 9.65 -0.74 -1.85 114.38 124.29 3g3j h ARG 180 Ca 0.30 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3g3j h ARG 180 Cb -0.10 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 3g3j h ARG 180 CO -0.06 0.97 0.49 0.28 2.80 0.00 0.00 179.97 184.44 3g3j h VAL 181 N 0.76 1.24 0.00 0.20 2.07 -0.47 -1.72 116.25 118.32 3g3j h VAL 181 Ca 0.11 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3g3j h VAL 181 Cb 0.69 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3g3j h VAL 181 CO 0.05 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 177.83 3g3j h LEU 182 N 1.16 0.00 -1.03 2.57 3.38 -0.99 -3.36 115.31 117.05 3g3j h LEU 182 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3g3j h LEU 182 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3g3j h LEU 182 CO -0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.83 3g3j n THR 183 N -2.79 0.05 -3.91 0.22 -2.24 -0.72 -5.06 114.28 99.84 3g3j n THR 183 Ca 0.04 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 3g3j n THR 183 Cb 0.48 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 3g3j n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g3j s SER 184 N -0.05 -0.19 -1.17 3.42 1.04 -0.67 -5.05 113.70 111.03 3g3j s SER 184 Ca 0.00 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.51 3g3j s SER 184 Cb 0.00 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.87 3g3j s SER 184 CO 0.00 -1.26 1.55 -1.81 0.98 0.00 0.00 173.24 172.70 3g3j s ASP 185 N -2.96 6.75 -0.10 7.02 1.01 -1.26 -4.58 116.67 122.55 3g3j s ASP 185 Ca 0.16 -2.19 -0.07 0.00 0.71 0.00 0.00 52.55 51.16 3g3j s ASP 185 Cb -0.04 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.39 3g3j s ASP 185 CO 0.08 -1.20 0.25 -0.47 0.21 0.00 0.00 175.17 174.04 3g3j s TYR 186 N 3.92 -0.31 -0.09 4.23 6.14 -1.26 -1.76 117.35 128.22 3g3j s TYR 186 Ca 0.48 0.74 0.02 0.00 0.64 0.00 0.00 57.07 58.94 3g3j s TYR 186 Cb 0.01 0.08 -0.02 0.00 0.42 0.00 0.00 41.96 42.45 3g3j s TYR 186 CO -0.00 -0.18 -0.13 0.00 0.64 0.00 0.00 175.55 175.88 3g3j s ALA 187 N 0.67 2.70 -0.19 3.97 0.00 -0.03 -4.32 121.76 124.55 3g3j s ALA 187 Ca -0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 3g3j s ALA 187 Cb -0.06 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3g3j s ALA 187 CO -0.04 0.42 -0.02 0.12 0.00 0.00 0.00 175.76 176.25 3g3j s PHE 188 N -0.27 3.02 -0.30 0.00 5.36 -0.16 -2.69 117.98 122.93 3g3j s PHE 188 Ca 0.02 -0.50 -0.28 0.00 -0.96 0.00 0.00 56.93 55.21 3g3j s PHE 188 Cb -0.13 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.51 3g3j s PHE 188 CO 0.03 -0.25 1.01 -0.51 -1.46 0.00 0.00 175.22 174.04 3g3j s LEU 189 N 0.94 3.99 0.15 6.12 1.02 0.11 -0.60 118.68 130.40 3g3j s LEU 189 Ca 0.01 1.01 -0.16 0.00 0.02 0.00 0.00 54.13 55.01 3g3j s LEU 189 Cb -0.14 -3.44 0.03 0.00 0.02 0.00 0.00 46.19 42.65 3g3j s LEU 189 CO 0.02 -0.79 0.42 -0.32 0.02 0.00 0.00 176.35 175.70 3g3j s MET 190 N 3.44 1.16 0.33 1.70 -2.45 -0.51 -4.53 119.30 118.43 3g3j s MET 190 Ca 0.42 -0.78 -0.27 0.00 -1.25 0.00 0.00 55.69 53.81 3g3j s MET 190 Cb -0.13 0.48 -0.09 0.00 1.25 0.00 0.00 34.83 36.33 3g3j s MET 190 CO 0.13 -0.46 1.10 -1.21 1.05 0.00 0.00 175.02 175.63 3g3j s GLU 191 N -3.83 4.44 0.34 4.11 2.02 -1.26 -0.68 118.70 123.84 3g3j s GLU 191 Ca 0.06 1.74 0.02 0.00 0.02 0.00 0.00 54.97 56.81 3g3j s GLU 191 Cb 0.01 -2.95 0.62 0.00 0.10 0.00 0.00 34.13 31.91 3g3j s GLU 191 CO -0.09 0.05 1.98 0.66 0.02 0.00 0.00 175.26 177.88 3g3j h SER 192 N 3.32 0.69 -0.75 -0.19 4.64 -1.09 -1.31 113.55 118.85 3g3j h SER 192 Ca -0.47 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3g3j h SER 192 Cb 1.22 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 3g3j h SER 192 CO 0.65 0.55 0.46 0.71 -0.87 0.00 0.00 176.83 178.33 3g3j h THR 193 N 0.79 1.21 -0.24 2.95 1.35 -1.88 -0.70 112.91 116.39 3g3j h THR 193 Ca 0.20 -0.45 -0.17 0.00 -0.55 0.00 0.00 66.41 65.45 3g3j h THR 193 Cb -0.00 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 66.57 3g3j h THR 193 CO -0.04 0.22 -0.53 0.74 -0.25 0.00 0.00 175.52 175.66 3g3j h THR 194 N 1.03 1.30 -0.84 6.82 2.02 -1.70 -2.82 112.91 118.72 3g3j h THR 194 Ca 0.27 -1.74 0.03 0.00 0.77 0.00 0.00 66.41 65.74 3g3j h THR 194 Cb -0.05 1.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3g3j h THR 194 CO -0.05 0.56 0.54 0.40 0.37 0.00 0.00 175.52 177.34 3g3j h ILE 195 N 0.54 1.14 -0.80 3.11 2.04 -0.96 -1.00 117.51 121.60 3g3j h ILE 195 Ca 0.02 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3g3j h ILE 195 Cb 1.10 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3g3j h ILE 195 CO 0.11 0.19 0.52 -0.08 0.00 0.00 0.00 178.15 178.90 3g3j h GLU 196 N 1.06 1.03 -0.15 2.37 4.81 -0.95 0.11 114.58 122.86 3g3j h GLU 196 Ca 0.33 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3g3j h GLU 196 Cb -0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3g3j h GLU 196 CO -0.11 0.68 0.07 0.35 -0.73 0.00 0.00 179.01 179.27 3g3j h PHE 197 N 1.06 0.21 -0.55 0.92 3.57 -1.14 -2.89 116.94 118.12 3g3j h PHE 197 Ca 0.30 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3g3j h PHE 197 Cb -0.09 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3g3j h PHE 197 CO -0.02 0.25 -0.09 0.28 -2.23 0.00 0.00 178.31 176.50 3g3j h VAL 198 N 0.11 1.27 0.00 1.41 2.07 -0.64 -2.88 116.25 117.59 3g3j h VAL 198 Ca 0.05 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3g3j h VAL 198 Cb 0.12 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3g3j h VAL 198 CO -0.01 0.44 0.00 0.71 0.02 0.00 0.00 177.57 178.74 3g3j h THR 199 N 0.91 0.00 0.00 2.57 1.35 -1.04 -0.32 112.91 116.38 3g3j h THR 199 Ca 0.15 -0.80 -0.09 0.00 -0.55 0.00 0.00 66.41 65.12 3g3j h THR 199 Cb 0.65 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 3g3j h THR 199 CO 0.05 0.00 -0.41 1.56 -0.25 0.00 0.00 175.52 176.46 3g3j h GLN 200 N 0.00 0.00 0.00 4.72 4.20 -1.29 -3.32 115.11 119.42 3g3j h GLN 200 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 3g3j h GLN 200 Cb 0.87 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 3g3j h GLN 200 CO 0.00 0.41 -1.84 0.54 -0.67 0.00 0.00 178.83 177.27 3g3j n ARG 201 N -3.43 0.65 -3.81 1.46 5.12 -0.85 -3.82 116.66 111.97 3g3j n ARG 201 Ca 0.00 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 3g3j n ARG 201 Cb 0.57 -1.63 -0.15 0.00 -1.16 0.00 0.00 32.46 30.09 3g3j n ARG 201 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3g3j s ASN 202 N -5.19 3.79 0.00 0.55 3.84 -0.19 -5.00 114.94 112.75 3g3j s ASN 202 Ca -0.06 -1.38 0.28 0.00 0.21 0.00 0.00 52.86 51.91 3g3j s ASN 202 Cb 0.10 -0.95 1.68 0.00 -0.55 0.00 0.00 41.25 41.54 3g3j s ASN 202 CO 0.85 -0.34 2.03 0.00 -2.79 0.00 0.00 177.10 176.85 3g3j n ASN 204 N -1.01 0.33 -4.68 0.00 3.02 -1.26 -4.91 115.26 106.75 3g3j n ASN 204 Ca 0.21 -0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.46 3g3j n ASN 204 Cb 0.10 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.13 3g3j n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g3j s LEU 205 N -2.90 3.36 0.06 3.41 1.43 -0.88 -1.34 118.68 121.82 3g3j s LEU 205 Ca 0.15 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3g3j s LEU 205 Cb 0.19 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3g3j s LEU 205 CO 0.60 0.04 0.22 0.28 0.23 0.00 0.00 176.35 177.71 3g3j s THR 206 N -2.01 0.12 0.33 5.49 -1.32 -0.07 -4.77 115.64 113.41 3g3j s THR 206 Ca 0.30 -0.96 -0.27 0.00 -1.21 0.00 0.00 61.69 59.55 3g3j s THR 206 Cb -0.08 -1.08 -0.09 0.00 -1.51 0.00 0.00 72.50 69.73 3g3j s THR 206 CO 0.20 -0.53 1.09 -1.58 -2.21 0.00 0.00 174.62 171.59 3g3j s GLN 207 N -3.09 4.42 -0.14 7.08 0.74 -1.26 -1.59 119.66 125.82 3g3j s GLN 207 Ca -0.01 1.71 0.00 0.00 0.05 0.00 0.00 55.36 57.12 3g3j s GLN 207 Cb 0.01 -2.92 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 3g3j s GLN 207 CO -0.07 0.04 -0.15 0.42 -0.55 0.00 0.00 175.29 174.98 3g3j s ILE 208 N -1.35 2.73 0.00 -2.34 -1.09 0.29 -4.93 121.20 114.52 3g3j s ILE 208 Ca 0.50 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 3g3j s ILE 208 Cb -0.29 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 3g3j s ILE 208 CO 0.36 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 175.20 3g3j n GLY 209 N 3.86 -1.20 0.00 6.18 0.00 -1.18 -3.62 105.19 109.24 3g3j n GLY 209 Ca -0.19 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3g3j n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3j n GLY 210 N 0.00 2.52 3.74 -0.02 0.00 -1.26 -4.89 105.19 105.28 3g3j n GLY 210 Ca 0.00 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 3g3j n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3j s LEU 211 N 0.00 4.41 0.12 0.99 1.43 -1.26 -4.56 118.68 119.81 3g3j s LEU 211 Ca 0.00 1.31 0.10 0.00 -1.03 0.00 0.00 54.13 54.51 3g3j s LEU 211 Cb 0.00 -3.11 -0.16 0.00 0.03 0.00 0.00 46.19 42.95 3g3j s LEU 211 CO 0.00 0.01 1.19 0.40 0.23 0.00 0.00 176.35 178.18 3g3j h ILE 212 N 4.28 1.35 -3.04 -0.59 2.04 -1.04 -3.48 117.51 117.03 3g3j h ILE 212 Ca -0.44 -3.00 -0.14 0.00 1.00 0.00 0.00 64.86 62.28 3g3j h ILE 212 Cb 1.20 2.65 -0.03 0.00 -0.74 0.00 0.00 36.82 39.90 3g3j h ILE 212 CO 0.72 0.77 -0.05 -0.90 0.00 0.00 0.00 178.15 178.68 3g3j n ASP 213 N -3.25 -0.80 -3.89 1.72 5.75 -1.26 -4.95 116.55 109.87 3g3j n ASP 213 Ca -0.03 -2.02 -0.25 0.00 -0.01 0.00 0.00 54.79 52.49 3g3j n ASP 213 Cb 0.91 1.47 -0.17 0.00 -1.03 0.00 0.00 41.12 42.30 3g3j n ASP 213 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3g3j s SER 214 N -2.18 1.84 0.25 -1.12 0.01 -1.26 -4.23 113.70 107.01 3g3j s SER 214 Ca 0.15 -0.23 -0.15 0.00 1.31 0.00 0.00 55.95 57.04 3g3j s SER 214 Cb -0.01 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.53 3g3j s SER 214 CO 0.11 -0.11 0.53 -1.59 0.41 0.00 0.00 173.24 172.59 3g3j s LYS 215 N 1.55 1.60 0.24 12.44 -2.85 -0.34 -5.00 119.74 127.38 3g3j s LYS 215 Ca 0.01 -1.19 0.12 0.00 -1.00 0.00 0.00 55.97 53.91 3g3j s LYS 215 Cb -0.13 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 3g3j s LYS 215 CO -0.05 -0.68 -0.22 0.20 0.10 0.00 0.00 175.35 174.70 3g3j s GLY 216 N -2.99 1.80 0.01 0.59 0.00 -1.26 -1.03 107.32 104.43 3g3j s GLY 216 Ca 0.20 -1.76 -0.19 0.00 0.00 0.00 0.00 44.72 42.97 3g3j s GLY 216 CO 0.08 -1.82 0.55 -0.19 0.00 0.00 0.00 173.10 171.72 3g3j s TYR 217 N -2.10 3.72 0.14 1.90 2.02 -0.34 -0.78 117.35 121.91 3g3j s TYR 217 Ca 0.26 1.17 0.02 0.00 -0.37 0.00 0.00 57.07 58.14 3g3j s TYR 217 Cb -0.06 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 3g3j s TYR 217 CO 0.13 0.46 -0.02 0.20 -1.57 0.00 0.00 175.55 174.75 3g3j s GLY 218 N -0.57 1.03 -0.05 0.71 0.00 -0.80 -0.96 107.32 106.69 3g3j s GLY 218 Ca 0.29 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 3g3j s GLY 218 CO 0.17 -1.49 1.15 0.14 0.00 0.00 0.00 173.10 173.06 3g3j s VAL 219 N -3.67 4.37 0.21 1.40 1.01 -1.26 -4.45 120.40 118.01 3g3j s VAL 219 Ca 0.19 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.66 3g3j s VAL 219 Cb 0.06 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3g3j s VAL 219 CO 0.00 0.03 0.71 -0.83 0.00 0.00 0.00 175.10 175.01 3g3j s GLY 220 N 1.32 2.62 0.08 4.51 0.00 -0.58 -0.93 107.32 114.35 3g3j s GLY 220 Ca 0.55 0.16 -0.00 0.00 0.00 0.00 0.00 44.72 45.42 3g3j s GLY 220 CO 0.23 0.52 -0.03 -0.51 0.00 0.00 0.00 173.10 173.30 3g3j s THR 221 N -1.49 0.38 0.71 0.90 -4.23 -0.13 -0.65 115.64 111.11 3g3j s THR 221 Ca 0.42 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 58.91 3g3j s THR 221 Cb -0.17 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.04 3g3j s THR 221 CO 0.21 -0.88 1.20 -2.84 -0.54 0.00 0.00 174.62 171.78 3g3j s PRO 222 N -3.91 2.30 0.15 3.99 0.02 -1.26 -1.11 135.00 135.19 3g3j s PRO 222 Ca 0.11 1.75 -0.34 0.00 0.02 0.00 0.00 61.00 62.54 3g3j s PRO 222 Cb 0.07 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 32.59 3g3j s PRO 222 CO -0.06 -1.71 1.48 -0.12 -0.33 0.00 0.00 177.00 176.25 3g3j n MET 223 N -2.53 1.82 -0.23 5.54 0.00 -1.26 -1.61 117.12 118.84 3g3j n MET 223 Ca 0.13 0.66 0.00 0.00 -0.00 0.00 0.00 57.70 58.49 3g3j n MET 223 Cb 0.50 -2.37 0.00 0.00 0.00 0.00 0.00 33.22 31.36 3g3j n MET 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3g3j n GLY 224 N 2.97 1.20 3.75 -5.12 0.00 -1.26 -4.96 105.19 101.77 3g3j n GLY 224 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3g3j n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3j s SER 225 N -3.02 6.48 0.24 1.61 0.15 -0.64 -4.88 113.70 113.64 3g3j s SER 225 Ca 0.00 2.86 0.23 0.00 0.70 0.00 0.00 55.95 59.75 3g3j s SER 225 Cb 0.00 -2.64 0.95 0.00 -1.71 0.00 0.00 66.02 62.62 3g3j s SER 225 CO 0.00 -0.82 1.71 -0.81 1.20 0.00 0.00 173.24 174.52 3g3j n PRO 226 N 1.87 0.19 0.24 5.44 -0.04 -1.26 -2.60 135.00 138.83 3g3j n PRO 226 Ca 0.06 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 3g3j n PRO 226 Cb 0.39 -1.84 0.49 0.00 -0.04 0.00 0.00 33.50 32.50 3g3j n PRO 226 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3j h TYR 227 N 0.00 0.00 0.26 0.54 0.05 -1.97 -3.31 116.97 112.54 3g3j h TYR 227 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3g3j h TYR 227 Cb 0.40 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 3g3j h TYR 227 CO 0.00 0.11 -0.36 -0.09 -1.05 0.00 0.00 178.16 176.77 3g3j h ARG 228 N 0.00 -0.66 -0.01 4.88 2.43 -1.85 0.04 114.38 119.22 3g3j h ARG 228 Ca -0.00 0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 3g3j h ARG 228 Cb 0.71 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3g3j h ARG 228 CO 0.01 -0.44 -0.69 -0.44 -1.51 0.00 0.00 179.97 176.91 3g3j h ASP 229 N -0.69 0.04 -0.56 -3.80 3.32 -1.80 -1.48 116.42 111.46 3g3j h ASP 229 Ca -0.00 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3g3j h ASP 229 Cb 0.66 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3g3j h ASP 229 CO -0.13 0.71 0.15 0.11 -1.72 0.00 0.00 179.24 178.37 3g3j h LYS 230 N 0.02 0.88 -0.42 3.56 1.57 -1.59 -2.06 116.57 118.54 3g3j h LYS 230 Ca -0.01 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 3g3j h LYS 230 Cb 1.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3g3j h LYS 230 CO 0.09 0.82 -0.29 0.82 -0.57 0.00 0.00 179.45 180.32 3g3j h ILE 231 N 0.79 1.27 -0.44 1.86 2.04 -0.81 -1.81 117.51 120.40 3g3j h ILE 231 Ca 0.18 -1.45 0.09 0.00 1.00 0.00 0.00 64.86 64.68 3g3j h ILE 231 Cb 0.32 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3g3j h ILE 231 CO -0.00 0.49 -0.07 0.74 0.00 0.00 0.00 178.15 179.31 3g3j h THR 232 N 0.78 0.60 -0.65 -0.27 2.02 -1.15 -0.10 112.91 114.13 3g3j h THR 232 Ca 0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3g3j h THR 232 Cb 0.86 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3g3j h THR 232 CO 0.08 0.01 0.37 -0.07 0.37 0.00 0.00 175.52 176.27 3g3j h LEU 233 N 0.04 0.81 -0.78 2.58 3.38 -1.11 -0.66 115.31 119.57 3g3j h LEU 233 Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3g3j h LEU 233 Cb 0.33 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3g3j h LEU 233 CO -0.42 0.66 0.32 0.00 0.09 0.00 0.00 178.44 179.09 3g3j h ALA 234 N 1.18 1.02 -0.38 1.53 0.00 -0.87 -0.92 119.26 120.83 3g3j h ALA 234 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3g3j h ALA 234 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3g3j h ALA 234 CO -0.04 0.64 0.09 0.82 0.00 0.00 0.00 179.25 180.76 3g3j h ILE 235 N 1.14 1.23 -0.64 0.00 2.04 -0.68 -0.38 117.51 120.21 3g3j h ILE 235 Ca 0.26 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3g3j h ILE 235 Cb 0.21 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3g3j h ILE 235 CO -0.02 0.26 0.39 -0.07 0.00 0.00 0.00 178.15 178.71 3g3j h LEU 236 N 0.46 0.75 -0.21 1.44 3.38 -0.82 -0.48 115.31 119.84 3g3j h LEU 236 Ca 0.12 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 3g3j h LEU 236 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3g3j h LEU 236 CO 0.00 0.57 -0.45 0.50 0.09 0.00 0.00 178.44 179.15 3g3j h LYS 237 N 0.87 0.68 -0.24 1.13 3.64 -0.86 -2.26 116.57 119.54 3g3j h LYS 237 Ca 0.23 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3g3j h LYS 237 Cb -0.05 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3g3j h LYS 237 CO -0.05 1.07 0.11 -0.07 -2.27 0.00 0.00 179.45 178.25 3g3j h LEU 238 N 0.38 0.28 -0.07 5.20 3.38 -0.62 -1.94 115.31 121.93 3g3j h LEU 238 Ca 0.00 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3g3j h LEU 238 Cb 1.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3g3j h LEU 238 CO 0.10 0.25 -1.01 -0.61 0.09 0.00 0.00 178.44 177.26 3g3j h GLN 239 N 0.33 0.10 -0.42 1.13 -0.00 -0.93 -0.65 115.11 114.66 3g3j h GLN 239 Ca 0.08 -0.15 -0.08 0.00 -0.00 0.00 0.00 58.65 58.51 3g3j h GLN 239 Cb 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 3g3j h GLN 239 CO -0.01 1.02 -0.04 1.05 0.00 0.00 0.00 178.83 180.85 3g3j h GLU 240 N 0.04 0.76 0.00 1.69 4.11 -0.97 -2.91 114.58 117.30 3g3j h GLU 240 Ca -0.05 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3g3j h GLU 240 Cb 1.73 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3g3j h GLU 240 CO 0.15 0.86 0.00 0.39 0.07 0.00 0.00 179.01 180.48 3g3j n GLU 241 N -4.38 0.10 -0.87 1.06 1.02 -0.77 -4.84 120.64 111.96 3g3j n GLU 241 Ca -0.01 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3g3j n GLU 241 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3g3j n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3j n GLY 242 N 0.28 0.56 0.15 0.62 0.00 -1.07 -4.96 105.19 100.78 3g3j n GLY 242 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 3g3j n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3j h LYS 243 N 1.35 0.14 -0.24 1.61 1.57 -1.38 -2.50 116.57 117.12 3g3j h LYS 243 Ca 0.00 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3g3j h LYS 243 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3g3j h LYS 243 CO 0.00 0.74 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.09 3g3j h LEU 244 N 0.10 0.65 -0.59 2.94 3.38 -1.88 -0.92 115.31 119.00 3g3j h LEU 244 Ca -0.01 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.50 3g3j h LEU 244 Cb 1.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3g3j h LEU 244 CO 0.09 1.02 -0.49 -0.74 0.09 0.00 0.00 178.44 178.41 3g3j h HIS 245 N 0.49 0.67 -0.74 1.13 2.76 -1.88 -1.01 115.15 116.56 3g3j h HIS 245 Ca 0.03 -0.22 -0.05 0.00 -2.20 0.00 0.00 60.37 57.93 3g3j h HIS 245 Cb 0.99 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 3g3j h HIS 245 CO 0.04 0.93 0.25 0.52 -1.30 0.00 0.00 177.93 178.37 3g3j h MET 246 N 0.43 1.14 -0.50 5.26 2.86 -1.26 -0.62 114.93 122.23 3g3j h MET 246 Ca 0.02 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.33 3g3j h MET 246 Cb 1.01 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 3g3j h MET 246 CO 0.09 0.95 -0.07 0.52 1.06 0.00 0.00 176.91 179.46 3g3j h MET 247 N 1.10 0.91 -0.35 1.72 2.07 -0.82 -1.36 114.93 118.20 3g3j h MET 247 Ca 0.24 -0.30 -0.03 0.00 -2.07 0.00 0.00 59.70 57.54 3g3j h MET 247 Cb 0.27 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.91 3g3j h MET 247 CO -0.01 0.94 0.10 -0.22 1.07 0.00 0.00 176.91 178.79 3g3j h LYS 248 N 0.82 0.54 -0.86 1.72 3.64 -0.88 -2.21 116.57 119.34 3g3j h LYS 248 Ca 0.14 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3g3j h LYS 248 Cb 0.59 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 3g3j h LYS 248 CO 0.04 0.58 0.50 1.49 -2.27 0.00 0.00 179.45 179.79 3g3j h GLU 249 N 0.41 1.17 -0.38 1.90 4.81 -0.89 0.14 114.58 121.74 3g3j h GLU 249 Ca 0.11 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3g3j h GLU 249 Cb 0.27 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3g3j h GLU 249 CO -0.00 0.83 0.24 -0.22 -0.73 0.00 0.00 179.01 179.13 3g3j h LYS 250 N 1.19 0.52 0.00 1.92 3.64 -0.96 -1.77 116.57 121.11 3g3j h LYS 250 Ca 0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3g3j h LYS 250 Cb -0.03 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3g3j h LYS 250 CO -0.06 0.37 -0.96 0.91 -2.27 0.00 0.00 179.45 177.45 3g3j n TRP 251 N -4.79 0.89 1.05 1.91 7.02 -0.86 -3.80 117.44 118.86 3g3j n TRP 251 Ca 0.00 0.26 0.11 0.00 -1.02 0.00 0.00 57.50 56.85 3g3j n TRP 251 Cb 0.04 -0.90 0.08 0.00 -2.42 0.00 0.00 31.31 28.11 3g3j n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3j n TRP 252 N -2.57 0.00 -1.54 -5.99 8.01 0.00 -4.84 117.44 110.51 3g3j n TRP 252 Ca 0.00 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.80 3g3j n TRP 252 Cb 0.53 -0.03 -0.05 0.00 -2.01 0.00 0.00 31.31 29.76 3g3j n TRP 252 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3g3j n ARG 253 N -0.19 1.13 -0.93 -0.99 1.74 -0.67 -4.98 116.66 111.78 3g3j n ARG 253 Ca 0.10 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3g3j n ARG 253 Cb 0.44 -3.09 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 3g3j n ARG 253 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11