#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3h s SER 2 N 0.00 6.31 0.54 1.61 1.04 -1.26 -5.02 113.70 116.93 3g3h s SER 2 Ca 0.00 1.36 -0.20 0.00 0.48 0.00 0.00 55.95 57.60 3g3h s SER 2 Cb 0.00 -2.44 -0.06 0.00 0.10 0.00 0.00 66.02 63.63 3g3h s SER 2 CO 0.00 -0.76 1.15 0.20 0.98 0.00 0.00 173.24 174.81 3g3h s ASN 3 N -3.95 5.66 0.32 7.02 0.01 -1.26 -4.95 114.94 117.80 3g3h s ASN 3 Ca 0.54 2.25 -0.29 0.00 -0.71 0.00 0.00 52.86 54.65 3g3h s ASN 3 Cb -0.11 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.85 3g3h s ASN 3 CO 0.48 -1.26 1.47 -1.14 -1.51 0.00 0.00 177.10 175.13 3g3h n ARG 4 N -1.25 2.46 -2.23 -0.60 0.63 -1.26 -4.89 116.66 109.52 3g3h n ARG 4 Ca 0.11 0.87 -0.40 0.00 -0.92 0.00 0.00 57.85 57.51 3g3h n ARG 4 Cb 0.50 -2.57 -0.03 0.00 0.45 0.00 0.00 32.46 30.81 3g3h n ARG 4 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3g3h s SER 5 N 0.10 6.84 0.23 6.15 0.01 -1.26 -4.78 113.70 120.99 3g3h s SER 5 Ca 0.60 2.53 -0.30 0.00 1.31 0.00 0.00 55.95 60.09 3g3h s SER 5 Cb -0.53 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 62.97 3g3h s SER 5 CO 0.56 -0.47 1.04 -0.76 0.41 0.00 0.00 173.24 174.02 3g3h s LEU 6 N -1.84 4.57 -0.23 2.44 1.43 0.00 -4.78 118.68 120.27 3g3h s LEU 6 Ca 0.49 2.10 -0.23 0.00 -1.03 0.00 0.00 54.13 55.47 3g3h s LEU 6 Cb -0.36 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 3g3h s LEU 6 CO 0.48 -0.06 0.73 -0.63 0.23 0.00 0.00 176.35 177.10 3g3h s ILE 7 N -0.90 4.92 -0.28 -0.59 -1.09 -1.26 -0.53 121.20 121.47 3g3h s ILE 7 Ca 0.45 1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 60.20 3g3h s ILE 7 Cb -0.29 -4.03 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 3g3h s ILE 7 CO 0.36 0.00 0.00 -0.69 -1.23 0.00 0.00 174.94 173.38 3g3h s VAL 8 N 2.50 3.21 0.27 2.92 1.01 -0.31 -0.33 120.40 129.68 3g3h s VAL 8 Ca 0.31 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 3g3h s VAL 8 Cb -0.16 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 3g3h s VAL 8 CO 0.09 0.05 0.84 0.28 0.00 0.00 0.00 175.10 176.36 3g3h s THR 9 N 1.35 4.37 0.24 3.92 -1.32 0.08 -0.76 115.64 123.52 3g3h s THR 9 Ca -0.01 1.59 -0.06 0.00 -1.21 0.00 0.00 61.69 62.00 3g3h s THR 9 Cb -0.18 -3.95 0.02 0.00 -1.51 0.00 0.00 72.50 66.88 3g3h s THR 9 CO -0.01 0.19 0.42 1.07 -2.21 0.00 0.00 174.62 174.07 3g3h n THR 10 N 0.68 0.00 -3.81 5.08 5.66 -0.91 -1.85 114.28 119.13 3g3h n THR 10 Ca -0.00 -0.88 -0.12 0.00 -3.05 0.00 0.00 64.05 60.00 3g3h n THR 10 Cb 0.50 0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 69.85 3g3h n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3g3h s ILE 11 N -2.55 0.05 0.02 1.09 2.07 -1.26 -0.51 121.20 120.11 3g3h s ILE 11 Ca 0.14 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 58.66 3g3h s ILE 11 Cb -0.02 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 42.05 3g3h s ILE 11 CO 0.10 -0.23 1.36 -0.76 -1.91 0.00 0.00 174.94 173.50 3g3h s LEU 12 N -0.92 4.33 -0.30 8.50 1.43 -1.26 -4.57 118.68 125.89 3g3h s LEU 12 Ca -0.10 2.11 -0.08 0.00 -1.03 0.00 0.00 54.13 55.02 3g3h s LEU 12 Cb -0.05 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.78 3g3h s LEU 12 CO 0.02 -0.67 0.84 -0.70 0.23 0.00 0.00 176.35 176.07 3g3h s GLU 13 N 2.04 0.37 0.28 1.70 2.56 -0.31 -4.98 118.70 120.37 3g3h s GLU 13 Ca 0.63 0.71 -0.29 0.00 0.00 0.00 0.00 54.97 56.01 3g3h s GLU 13 Cb -0.31 0.40 -0.10 0.00 2.00 0.00 0.00 34.13 36.12 3g3h s GLU 13 CO 0.27 -0.36 1.21 -2.00 -0.56 0.00 0.00 175.26 173.82 3g3h s GLU 14 N 2.86 4.50 -0.29 4.30 2.12 -1.25 -0.82 118.70 130.11 3g3h s GLU 14 Ca 0.07 1.99 0.11 0.00 0.36 0.00 0.00 54.97 57.50 3g3h s GLU 14 Cb -0.12 -3.15 0.77 0.00 0.26 0.00 0.00 34.13 31.89 3g3h s GLU 14 CO -0.16 -0.01 1.79 -0.35 -0.54 0.00 0.00 175.26 175.99 3g3h n PRO 15 N 1.29 4.13 -0.03 4.30 -0.04 -1.26 -4.92 135.00 138.47 3g3h n PRO 15 Ca 0.00 -3.08 -0.12 0.00 -0.04 0.00 0.00 63.50 60.27 3g3h n PRO 15 Cb 0.43 -2.24 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 3g3h n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3h h TYR 16 N 3.12 -0.04 -3.21 0.54 0.05 -1.31 -1.07 116.97 115.04 3g3h h TYR 16 Ca 0.18 -0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.68 3g3h h TYR 16 Cb 2.22 0.01 -0.34 0.00 1.01 0.00 0.00 36.73 39.63 3g3h h TYR 16 CO 1.23 0.65 -0.64 0.08 -1.05 0.00 0.00 178.16 178.43 3g3h s VAL 17 N -2.83 -0.15 0.07 -2.88 1.01 -0.42 -0.81 120.40 114.39 3g3h s VAL 17 Ca -0.15 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 3g3h s VAL 17 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3g3h s VAL 17 CO 0.58 0.12 0.02 -0.76 0.00 0.00 0.00 175.10 175.06 3g3h s LEU 18 N 1.74 2.20 0.05 3.92 1.02 0.24 -1.16 118.68 126.68 3g3h s LEU 18 Ca -0.03 -0.99 -0.30 0.00 0.02 0.00 0.00 54.13 52.83 3g3h s LEU 18 Cb -0.12 0.34 -0.04 0.00 0.02 0.00 0.00 46.19 46.39 3g3h s LEU 18 CO -0.05 -0.65 1.06 -0.36 0.02 0.00 0.00 176.35 176.37 3g3h s PHE 19 N -3.94 3.60 0.40 0.29 2.99 -1.26 -1.11 117.98 118.96 3g3h s PHE 19 Ca 0.10 1.58 -0.26 0.00 0.00 0.00 0.00 56.93 58.34 3g3h s PHE 19 Cb 0.07 -3.22 -0.10 0.00 0.00 0.00 0.00 43.02 39.77 3g3h s PHE 19 CO -0.08 -0.43 1.34 1.63 -0.00 0.00 0.00 175.22 177.68 3g3h n LYS 20 N 3.66 2.16 -2.80 0.44 5.02 0.29 -4.88 118.16 122.06 3g3h n LYS 20 Ca 0.06 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 3g3h n LYS 20 Cb 0.49 -2.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.01 3g3h n LYS 20 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3g3h s LYS 21 N -2.15 4.39 -0.20 1.97 1.02 -1.26 -5.01 119.74 118.49 3g3h s LYS 21 Ca 0.58 1.21 -0.21 0.00 0.02 0.00 0.00 55.97 57.57 3g3h s LYS 21 Cb -0.51 -3.53 0.06 0.00 -0.52 0.00 0.00 37.83 33.33 3g3h s LYS 21 CO 0.60 -0.25 0.59 0.45 -0.92 0.00 0.00 175.35 175.82 3g3h s SER 22 N 1.08 -0.61 0.21 2.83 0.15 -1.26 -5.01 113.70 111.09 3g3h s SER 22 Ca 0.44 1.12 0.15 0.00 0.70 0.00 0.00 55.95 58.37 3g3h s SER 22 Cb -0.18 1.13 -0.00 0.00 -1.71 0.00 0.00 66.02 65.26 3g3h s SER 22 CO 0.17 -0.25 1.26 0.44 1.20 0.00 0.00 173.24 176.06 3g3h h ASP 23 N 4.97 0.00 -3.29 5.45 3.32 -2.07 -3.44 116.42 121.36 3g3h h ASP 23 Ca -0.28 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.23 3g3h h ASP 23 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3g3h h ASP 23 CO 0.16 0.53 0.49 -0.75 -1.72 0.00 0.00 179.24 177.94 3g3h s LYS 24 N -2.95 4.48 0.25 3.56 2.20 -1.26 -5.02 119.74 121.00 3g3h s LYS 24 Ca 0.02 1.54 -0.31 0.00 -0.36 0.00 0.00 55.97 56.86 3g3h s LYS 24 Cb 0.08 -3.45 -0.13 0.00 -1.51 0.00 0.00 37.83 32.82 3g3h s LYS 24 CO 0.77 -0.19 1.48 -2.30 -0.36 0.00 0.00 175.35 174.75 3g3h n PRO 25 N 4.22 2.27 -4.32 4.03 -0.02 -1.26 -5.01 135.00 134.90 3g3h n PRO 25 Ca 0.08 0.81 -0.26 0.00 -2.02 0.00 0.00 63.50 62.11 3g3h n PRO 25 Cb 0.49 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 3g3h n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g3h s LEU 26 N -0.03 2.91 0.08 2.45 1.43 -1.26 -5.13 118.68 119.12 3g3h s LEU 26 Ca 0.67 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3g3h s LEU 26 Cb -0.60 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3g3h s LEU 26 CO 0.48 0.09 -0.12 -0.31 0.23 0.00 0.00 176.35 176.72 3g3h s TYR 27 N -1.83 1.11 0.00 0.29 1.51 -1.26 -4.80 117.35 112.37 3g3h s TYR 27 Ca 0.25 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 3g3h s TYR 27 Cb -0.08 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 3g3h s TYR 27 CO 0.15 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 3g3h n GLY 28 N 1.09 1.82 0.29 0.71 0.00 -1.26 -2.37 105.19 105.48 3g3h n GLY 28 Ca -0.20 -0.52 0.16 0.00 0.00 0.00 0.00 46.02 45.46 3g3h n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3h h ASN 29 N 9.40 0.00 0.34 1.61 2.35 -1.93 -2.36 115.58 124.99 3g3h h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g3h h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g3h h ASN 29 CO 0.00 0.03 0.00 -0.78 -1.65 0.00 0.00 177.43 175.03 3g3h h ASP 30 N 0.00 0.00 0.68 5.81 3.58 -1.88 -2.68 116.42 121.94 3g3h h ASP 30 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3g3h h ASP 30 Cb 0.09 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 3g3h h ASP 30 CO 0.00 0.00 -0.07 0.03 -2.88 0.00 0.00 179.24 176.32 3g3h h ARG 31 N 0.00 0.00 -6.34 0.28 3.08 -1.52 -3.45 114.38 106.43 3g3h h ARG 31 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3g3h h ARG 31 Cb 0.17 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.10 3g3h h ARG 31 CO 0.00 0.07 -0.66 -0.06 -1.07 0.00 0.00 179.97 178.24 3g3h s PHE 32 N -3.87 2.98 0.18 3.04 0.08 -1.01 -0.54 117.98 118.84 3g3h s PHE 32 Ca -0.01 -0.02 -0.09 0.00 0.12 0.00 0.00 56.93 56.93 3g3h s PHE 32 Cb 0.11 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3g3h s PHE 32 CO 0.55 0.47 0.32 -1.83 -0.10 0.00 0.00 175.22 174.63 3g3h s GLU 33 N -2.22 1.24 0.00 0.44 -1.05 -0.26 -4.79 118.70 112.05 3g3h s GLU 33 Ca 0.25 -1.21 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 3g3h s GLU 33 Cb -0.12 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3g3h s GLU 33 CO 0.17 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.33 3g3h n GLY 34 N -0.25 1.81 0.18 -3.83 0.00 -1.26 -0.59 105.19 101.25 3g3h n GLY 34 Ca -0.06 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 3g3h n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g3h h TYR 35 N 0.00 0.26 0.00 1.61 3.20 -0.69 -0.15 116.97 121.20 3g3h h TYR 35 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3g3h h TYR 35 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3g3h h TYR 35 CO 0.00 0.09 -0.36 0.00 -1.64 0.00 0.00 178.16 176.25 3g3h h ILE 37 N 0.00 1.28 -0.69 0.00 1.08 -1.41 -0.34 117.51 117.43 3g3h h ILE 37 Ca -0.00 -1.25 -0.08 0.00 -0.39 0.00 0.00 64.86 63.14 3g3h h ILE 37 Cb 0.66 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 3g3h h ILE 37 CO 0.05 0.42 0.14 0.44 -0.69 0.00 0.00 178.15 178.51 3g3h h ASP 38 N 0.67 1.07 -0.16 1.72 3.32 -0.82 -1.26 116.42 120.96 3g3h h ASP 38 Ca 0.10 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3g3h h ASP 38 Cb 0.68 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3g3h h ASP 38 CO 0.05 1.04 0.07 0.25 -1.72 0.00 0.00 179.24 178.94 3g3h h LEU 39 N 1.06 0.22 -0.80 1.55 5.85 -1.00 -1.50 115.31 120.69 3g3h h LEU 39 Ca 0.21 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3g3h h LEU 39 Cb 0.41 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3g3h h LEU 39 CO 0.01 0.30 0.49 0.25 -0.34 0.00 0.00 178.44 179.15 3g3h h LEU 40 N 0.13 0.77 -0.44 2.25 5.85 -0.81 -0.45 115.31 122.61 3g3h h LEU 40 Ca 0.06 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3g3h h LEU 40 Cb 0.14 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3g3h h LEU 40 CO -0.01 0.50 0.22 0.03 -0.34 0.00 0.00 178.44 178.84 3g3h h ARG 41 N 0.91 0.43 -0.46 1.25 3.08 -0.93 -0.62 114.38 118.03 3g3h h ARG 41 Ca 0.35 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 3g3h h ARG 41 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3g3h h ARG 41 CO -0.17 0.28 0.09 0.93 -1.07 0.00 0.00 179.97 180.04 3g3h h GLU 42 N 0.44 0.75 -0.92 0.04 4.39 -0.47 -2.31 114.58 116.51 3g3h h GLU 42 Ca 0.19 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3g3h h GLU 42 Cb 0.10 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3g3h h GLU 42 CO -0.13 0.75 0.57 -0.07 -1.16 0.00 0.00 179.01 178.97 3g3h h LEU 43 N 0.62 1.10 -0.75 1.33 3.38 -0.78 -0.91 115.31 119.29 3g3h h LEU 43 Ca 0.14 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3g3h h LEU 43 Cb 0.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3g3h h LEU 43 CO 0.01 0.84 0.49 -1.28 0.09 0.00 0.00 178.44 178.58 3g3h h SER 44 N 1.27 0.87 -0.06 -0.43 0.87 -0.89 -0.32 113.55 114.86 3g3h h SER 44 Ca 0.33 -0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 60.61 3g3h h SER 44 Cb -0.07 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3g3h h SER 44 CO -0.06 0.64 -0.94 0.71 -0.53 0.00 0.00 176.83 176.64 3g3h h THR 45 N 1.02 1.28 -0.13 2.23 1.35 -1.09 0.62 112.91 118.19 3g3h h THR 45 Ca 0.27 -2.14 -0.00 0.00 -0.55 0.00 0.00 66.41 63.99 3g3h h THR 45 Cb -0.10 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3g3h h THR 45 CO -0.06 0.67 0.06 0.40 -0.25 0.00 0.00 175.52 176.34 3g3h h ILE 46 N 0.45 1.12 0.00 6.82 2.04 -1.02 -3.27 117.51 123.65 3g3h h ILE 46 Ca -0.10 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3g3h h ILE 46 Cb 1.59 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3g3h h ILE 46 CO 0.19 0.11 -0.77 -0.07 0.00 0.00 0.00 178.15 177.61 3g3h h LEU 47 N 0.08 0.00 -2.30 1.44 3.38 -1.15 -3.49 115.31 113.26 3g3h h LEU 47 Ca 0.04 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3g3h h LEU 47 Cb 0.12 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.92 3g3h h LEU 47 CO -0.01 0.09 -0.23 0.61 0.09 0.00 0.00 178.44 179.00 3g3h n GLY 48 N 1.30 0.27 3.26 0.83 0.00 0.15 -5.05 105.19 105.95 3g3h n GLY 48 Ca 0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3g3h n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g3h s PHE 49 N -3.10 1.39 0.34 1.61 -0.12 -0.85 -5.06 117.98 112.18 3g3h s PHE 49 Ca 0.05 -0.64 0.07 0.00 -0.05 0.00 0.00 56.93 56.37 3g3h s PHE 49 Cb -0.01 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 3g3h s PHE 49 CO 0.20 0.16 0.34 0.95 -0.05 0.00 0.00 175.22 176.82 3g3h s THR 50 N -2.77 3.62 0.15 -4.49 -4.23 -1.26 -4.67 115.64 101.98 3g3h s THR 50 Ca 0.14 -1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 59.20 3g3h s THR 50 Cb -0.01 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.64 3g3h s THR 50 CO 0.03 -0.16 0.45 -0.72 -0.54 0.00 0.00 174.62 173.67 3g3h s TYR 51 N -2.28 -0.17 -0.10 3.99 -0.85 -1.26 -0.82 117.35 115.86 3g3h s TYR 51 Ca 0.42 -0.15 -0.01 0.00 -0.52 0.00 0.00 57.07 56.81 3g3h s TYR 51 Cb -0.07 0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.60 3g3h s TYR 51 CO 0.28 -0.78 -0.06 -2.00 -1.52 0.00 0.00 175.55 171.47 3g3h s GLU 52 N -3.83 1.29 0.03 -3.49 2.12 0.30 -4.85 118.70 110.27 3g3h s GLU 52 Ca 0.05 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 3g3h s GLU 52 Cb 0.01 -1.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.91 3g3h s GLU 52 CO -0.09 -0.28 1.05 0.42 -0.54 0.00 0.00 175.26 175.82 3g3h s ILE 53 N 1.77 4.57 -0.07 -3.70 1.01 -1.26 -1.16 121.20 122.36 3g3h s ILE 53 Ca 0.05 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.56 3g3h s ILE 53 Cb -0.13 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.18 3g3h s ILE 53 CO -0.07 0.15 -0.05 -0.13 0.00 0.00 0.00 174.94 174.84 3g3h s ARG 54 N 0.96 1.02 0.19 2.79 0.52 0.06 -4.88 118.95 119.61 3g3h s ARG 54 Ca 0.54 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.33 3g3h s ARG 54 Cb -0.24 -1.10 -0.09 0.00 0.52 0.00 0.00 34.95 34.04 3g3h s ARG 54 CO 0.29 -0.17 1.35 -0.51 0.02 0.00 0.00 175.30 176.28 3g3h s LEU 55 N 1.33 4.40 -0.01 2.53 1.43 -1.26 -2.14 118.68 124.96 3g3h s LEU 55 Ca -0.04 2.44 -0.37 0.00 -1.03 0.00 0.00 54.13 55.13 3g3h s LEU 55 Cb -0.14 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.32 3g3h s LEU 55 CO -0.03 -0.59 1.49 0.55 0.23 0.00 0.00 176.35 178.01 3g3h n VAL 56 N 2.83 0.11 -0.09 -1.59 3.14 0.33 -4.85 118.33 118.21 3g3h n VAL 56 Ca 0.07 -0.02 -0.04 0.00 -2.96 0.00 0.00 64.34 61.40 3g3h n VAL 56 Cb 0.42 -1.04 0.18 0.00 -1.06 0.00 0.00 33.84 32.35 3g3h n VAL 56 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3g3h h GLU 57 N 5.60 0.75 -0.11 1.45 4.39 -1.91 -2.34 114.58 122.41 3g3h h GLU 57 Ca -0.47 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.03 3g3h h GLU 57 Cb 1.32 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3g3h h GLU 57 CO 0.84 0.76 0.00 -0.40 -1.16 0.00 0.00 179.01 179.05 3g3h n ASP 58 N -4.23 1.65 -0.70 1.42 5.75 -1.26 -4.95 116.55 114.23 3g3h n ASP 58 Ca 0.02 -1.64 -0.09 0.00 -0.01 0.00 0.00 54.79 53.08 3g3h n ASP 58 Cb 0.29 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.27 3g3h n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3h n GLY 59 N 1.16 1.05 3.49 6.12 0.00 -0.88 -4.97 105.19 111.16 3g3h n GLY 59 Ca 0.17 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 3g3h n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3h s LYS 60 N -2.59 1.78 -0.07 1.61 1.02 -1.26 -4.99 119.74 115.24 3g3h s LYS 60 Ca 0.00 -1.47 -0.08 0.00 0.02 0.00 0.00 55.97 54.45 3g3h s LYS 60 Cb 0.00 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3g3h s LYS 60 CO 0.00 0.40 0.32 1.88 -0.92 0.00 0.00 175.35 177.03 3g3h h TYR 61 N 2.89 -0.26 0.00 3.18 0.05 -1.88 -2.25 116.97 118.70 3g3h h TYR 61 Ca -0.45 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3g3h h TYR 61 Cb 1.22 0.08 0.00 0.00 1.01 0.00 0.00 36.73 39.04 3g3h h TYR 61 CO 0.69 -0.16 0.00 0.41 -1.05 0.00 0.00 178.16 178.05 3g3h n GLY 62 N 1.08 4.09 3.29 3.88 0.00 -0.51 -1.24 105.19 115.77 3g3h n GLY 62 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3g3h n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3h s ALA 63 N -0.05 0.15 -0.15 4.61 0.00 -1.23 -4.57 121.76 120.52 3g3h s ALA 63 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 3g3h s ALA 63 Cb 0.00 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 3g3h s ALA 63 CO 0.00 -0.60 0.18 -1.14 0.00 0.00 0.00 175.76 174.20 3g3h s GLN 64 N -3.97 3.89 0.06 0.00 0.74 -1.26 -2.26 119.66 116.85 3g3h s GLN 64 Ca 0.17 -0.10 -0.31 0.00 0.05 0.00 0.00 55.36 55.18 3g3h s GLN 64 Cb 0.04 -3.32 -0.06 0.00 1.10 0.00 0.00 33.01 30.77 3g3h s GLN 64 CO -0.01 0.50 1.30 0.34 -0.55 0.00 0.00 175.29 176.87 3g3h s ASP 65 N -0.26 6.95 0.41 6.67 2.15 0.18 -4.93 116.67 127.84 3g3h s ASP 65 Ca 0.13 2.12 0.22 0.00 0.43 0.00 0.00 52.55 55.45 3g3h s ASP 65 Cb -0.12 -2.58 0.29 0.00 -0.30 0.00 0.00 42.92 40.22 3g3h s ASP 65 CO 0.02 -0.58 1.57 -2.24 -0.17 0.00 0.00 175.17 173.77 3g3h h ASP 66 N 7.05 0.00 0.01 -0.34 3.04 -1.96 -0.22 116.42 124.00 3g3h h ASP 66 Ca -0.40 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.38 3g3h h ASP 66 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3g3h h ASP 66 CO 0.85 0.07 -0.00 1.62 -2.04 0.00 0.00 179.24 179.74 3g3h h VAL 67 N 0.00 1.46 -0.01 4.15 3.04 -1.98 -3.40 116.25 119.50 3g3h h VAL 67 Ca -0.00 -2.01 0.00 0.00 -1.01 0.00 0.00 66.70 63.68 3g3h h VAL 67 Cb 1.06 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 33.05 3g3h h VAL 67 CO 0.01 0.48 -0.29 -0.46 -1.01 0.00 0.00 177.57 176.30 3g3h n ASN 68 N -4.67 1.73 0.00 3.17 0.23 -1.24 -4.98 115.26 109.50 3g3h n ASN 68 Ca -0.08 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.60 3g3h n ASN 68 Cb 0.38 0.41 0.00 0.00 -2.08 0.00 0.00 39.78 38.49 3g3h n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3h n GLY 69 N 1.13 0.51 3.83 4.83 0.00 -0.09 -5.00 105.19 110.39 3g3h n GLY 69 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3g3h n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3h s GLN 70 N -0.36 4.14 0.51 1.61 -1.52 -1.26 -4.68 119.66 118.09 3g3h s GLN 70 Ca 0.00 0.70 -0.03 0.00 -1.95 0.00 0.00 55.36 54.09 3g3h s GLN 70 Cb 0.00 -2.93 -0.00 0.00 -0.22 0.00 0.00 33.01 29.86 3g3h s GLN 70 CO 0.00 0.45 0.77 -1.58 -0.25 0.00 0.00 175.29 174.68 3g3h s TRP 71 N -1.47 3.26 0.17 0.91 0.52 -1.26 -0.64 118.94 120.43 3g3h s TRP 71 Ca 0.40 0.44 0.02 0.00 0.02 0.00 0.00 56.10 56.98 3g3h s TRP 71 Cb -0.16 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 3g3h s TRP 71 CO 0.20 -0.53 0.08 0.27 0.02 0.00 0.00 176.95 176.99 3g3h n ASN 72 N -2.29 0.79 0.00 2.95 0.23 -0.96 -4.71 115.26 111.26 3g3h n ASN 72 Ca 0.02 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 3g3h n ASN 72 Cb 0.57 0.51 0.00 0.00 -2.08 0.00 0.00 39.78 38.79 3g3h n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3h n GLY 73 N 0.70 0.24 0.28 4.83 0.00 -1.26 -1.78 105.19 108.19 3g3h n GLY 73 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.10 3g3h n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g3h h MET 74 N 0.00 0.50 -0.10 1.61 2.86 -0.53 -1.85 114.93 117.41 3g3h h MET 74 Ca 0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3g3h h MET 74 Cb 0.00 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3g3h h MET 74 CO 0.00 0.50 0.06 0.28 1.06 0.00 0.00 176.91 178.81 3g3h h VAL 75 N 0.49 1.06 -0.77 -2.22 2.07 -1.53 -1.67 116.25 113.69 3g3h h VAL 75 Ca 0.11 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3g3h h VAL 75 Cb 0.25 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3g3h h VAL 75 CO 0.00 0.06 0.44 -0.09 0.02 0.00 0.00 177.57 178.00 3g3h h ARG 76 N 0.09 1.05 -1.00 1.57 9.65 -0.93 -1.02 114.38 123.79 3g3h h ARG 76 Ca 0.04 -0.11 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 3g3h h ARG 76 Cb 0.04 -0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 28.35 3g3h h ARG 76 CO -0.01 0.75 0.65 0.93 2.80 0.00 0.00 179.97 185.10 3g3h h GLU 77 N 1.06 1.21 -0.13 0.20 5.08 -0.89 -1.40 114.58 119.71 3g3h h GLU 77 Ca 0.27 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3g3h h GLU 77 Cb -0.00 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.97 3g3h h GLU 77 CO -0.05 0.80 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.47 3g3h h LEU 78 N 1.25 0.42 -0.81 1.33 3.38 -0.83 0.77 115.31 120.81 3g3h h LEU 78 Ca 0.41 -0.54 0.14 0.00 0.09 0.00 0.00 57.88 57.97 3g3h h LEU 78 Cb 0.04 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 3g3h h LEU 78 CO -0.14 0.89 0.39 0.40 0.09 0.00 0.00 178.44 180.07 3g3h h ILE 79 N -0.03 0.71 -0.12 1.22 2.04 -0.82 -1.19 117.51 119.33 3g3h h ILE 79 Ca 0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3g3h h ILE 79 Cb 0.81 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3g3h h ILE 79 CO 0.05 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.77 3g3h n ASP 80 N -4.91 1.25 -3.06 1.72 8.00 -0.56 -4.91 116.55 114.08 3g3h n ASP 80 Ca 0.16 -1.64 -0.22 0.00 0.71 0.00 0.00 54.79 53.80 3g3h n ASP 80 Cb 0.42 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 3g3h n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g3h n HIS 81 N 0.04 -1.93 0.78 1.24 8.25 -0.45 -4.87 115.22 118.28 3g3h n HIS 81 Ca 0.16 0.51 0.13 0.00 -0.26 0.00 0.00 57.72 58.25 3g3h n HIS 81 Cb 0.26 -4.28 0.33 0.00 1.12 0.00 0.00 29.99 27.43 3g3h n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3h n LYS 82 N -3.98 0.15 -3.99 -0.41 5.02 0.23 -4.84 118.16 110.35 3g3h n LYS 82 Ca -0.10 0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 3g3h n LYS 82 Cb 0.61 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 3g3h n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g3h s ALA 83 N -3.08 0.15 -0.05 7.82 0.00 -1.15 -4.96 121.76 120.49 3g3h s ALA 83 Ca 0.10 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 3g3h s ALA 83 Cb 0.15 0.19 -0.29 0.00 0.00 0.00 0.00 23.12 23.17 3g3h s ALA 83 CO 0.65 -0.23 0.66 -0.44 0.00 0.00 0.00 175.76 176.40 3g3h h ASP 84 N 4.17 0.52 -4.82 0.00 3.32 -1.00 -3.42 116.42 115.18 3g3h h ASP 84 Ca -0.32 -0.83 -0.23 0.00 0.02 0.00 0.00 57.03 55.67 3g3h h ASP 84 Cb 1.19 -0.17 -0.19 0.00 0.22 0.00 0.00 39.33 40.38 3g3h h ASP 84 CO 0.48 1.70 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.23 3g3h s LEU 85 N -7.15 2.32 -0.23 1.55 1.43 -1.01 -4.27 118.68 111.31 3g3h s LEU 85 Ca -0.15 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3g3h s LEU 85 Cb 0.06 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.24 3g3h s LEU 85 CO 0.84 -0.31 -0.09 0.00 0.23 0.00 0.00 176.35 177.03 3g3h s ALA 86 N -2.02 2.63 -0.32 4.21 0.00 0.35 -0.74 121.76 125.87 3g3h s ALA 86 Ca -0.06 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.52 3g3h s ALA 86 Cb -0.06 -1.59 0.09 0.00 0.00 0.00 0.00 23.12 21.56 3g3h s ALA 86 CO -0.02 -0.72 0.02 0.08 0.00 0.00 0.00 175.76 175.12 3g3h s VAL 87 N 1.32 2.38 0.10 0.00 1.01 -0.77 -1.47 120.40 122.98 3g3h s VAL 87 Ca 0.01 -2.07 -0.27 0.00 0.00 0.00 0.00 61.98 59.66 3g3h s VAL 87 Cb -0.16 -2.63 0.08 0.00 0.00 0.00 0.00 36.38 33.67 3g3h s VAL 87 CO -0.06 -0.42 1.04 0.00 0.00 0.00 0.00 175.10 175.66 3g3h s ALA 88 N 1.00 -1.81 -1.13 5.51 0.00 -1.26 -4.59 121.76 119.48 3g3h s ALA 88 Ca 0.04 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 3g3h s ALA 88 Cb -0.20 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 3g3h s ALA 88 CO -0.06 -1.03 2.04 -0.35 0.00 0.00 0.00 175.76 176.35 3g3h n PRO 89 N -0.47 2.21 -3.64 0.00 -0.04 -1.26 -4.74 135.00 127.06 3g3h n PRO 89 Ca -0.07 -2.32 -0.39 0.00 -0.04 0.00 0.00 63.50 60.68 3g3h n PRO 89 Cb 0.61 -3.18 -0.12 0.00 -0.04 0.00 0.00 33.50 30.78 3g3h n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g3h s LEU 90 N 2.60 4.29 0.21 1.53 2.96 -1.26 -5.04 118.68 123.97 3g3h s LEU 90 Ca 0.54 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 3g3h s LEU 90 Cb 0.12 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 44.72 3g3h s LEU 90 CO 0.03 -0.25 1.25 0.00 -1.32 0.00 0.00 176.35 176.05 3g3h s ALA 91 N 1.59 3.48 -0.30 5.97 0.00 -1.26 -1.88 121.76 129.36 3g3h s ALA 91 Ca 0.04 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.75 3g3h s ALA 91 Cb -0.18 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.51 3g3h s ALA 91 CO 0.06 -0.45 1.02 0.42 0.00 0.00 0.00 175.76 176.81 3g3h s ILE 92 N -0.12 4.60 0.11 0.00 1.01 0.22 -4.89 121.20 122.12 3g3h s ILE 92 Ca 0.54 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.94 3g3h s ILE 92 Cb -0.35 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 3g3h s ILE 92 CO 0.39 -0.37 -0.09 0.42 0.00 0.00 0.00 174.94 175.29 3g3h s THR 93 N 3.43 0.90 0.15 2.92 -4.23 -1.26 -4.49 115.64 113.07 3g3h s THR 93 Ca 0.43 -1.82 -0.20 0.00 -1.18 0.00 0.00 61.69 58.93 3g3h s THR 93 Cb -0.13 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.18 3g3h s THR 93 CO 0.13 -0.70 1.67 0.22 -0.54 0.00 0.00 174.62 175.40 3g3h h TYR 94 N 3.22 -0.26 -0.01 3.99 3.20 -1.98 0.21 116.97 125.34 3g3h h TYR 94 Ca -0.36 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.44 3g3h h TYR 94 Cb 1.18 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3g3h h TYR 94 CO 0.62 -0.17 -0.44 -0.39 -1.64 0.00 0.00 178.16 176.15 3g3h h VAL 95 N -0.07 1.31 -0.10 1.81 -1.51 -2.00 -2.54 116.25 113.15 3g3h h VAL 95 Ca 0.14 -1.50 -0.23 0.00 -1.23 0.00 0.00 66.70 63.87 3g3h h VAL 95 Cb 0.27 1.80 0.01 0.00 -2.13 0.00 0.00 31.29 31.24 3g3h h VAL 95 CO -0.31 0.43 -0.86 0.03 -1.23 0.00 0.00 177.57 175.64 3g3h h ARG 96 N 0.02 0.74 0.00 5.19 3.08 -1.86 -3.12 114.38 118.43 3g3h h ARG 96 Ca -0.00 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3g3h h ARG 96 Cb 0.78 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3g3h h ARG 96 CO 0.06 1.26 0.00 1.49 -1.07 0.00 0.00 179.97 181.71 3g3h h GLU 97 N 0.48 0.00 0.00 0.04 4.57 -0.62 -0.38 114.58 118.68 3g3h h GLU 97 Ca -0.07 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3g3h h GLU 97 Cb 1.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.07 3g3h h GLU 97 CO 0.17 0.00 -0.20 0.87 -1.18 0.00 0.00 179.01 178.67 3g3h h LYS 98 N 0.00 0.00 0.00 1.92 1.57 -1.40 -3.37 116.57 115.29 3g3h h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g3h h LYS 98 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3g3h h LYS 98 CO 0.00 0.20 -1.01 1.33 -0.57 0.00 0.00 179.45 179.40 3g3h n VAL 99 N -3.41 0.00 -4.37 0.50 0.24 -0.32 -5.07 118.33 105.91 3g3h n VAL 99 Ca -0.00 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.34 62.09 3g3h n VAL 99 Cb 0.40 0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 3g3h n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3g3h s ILE 100 N -2.03 0.80 0.04 1.34 -4.36 -0.30 -4.34 121.20 112.34 3g3h s ILE 100 Ca -0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3g3h s ILE 100 Cb 0.00 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 3g3h s ILE 100 CO 0.03 0.00 0.09 -1.81 0.24 0.00 0.00 174.94 173.48 3g3h s ASP 101 N -3.38 5.65 0.05 4.36 1.01 -0.25 -4.30 116.67 119.81 3g3h s ASP 101 Ca 0.37 0.08 0.08 0.00 0.71 0.00 0.00 52.55 53.80 3g3h s ASP 101 Cb 0.08 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.40 3g3h s ASP 101 CO 0.14 0.22 -0.23 -0.36 0.21 0.00 0.00 175.17 175.15 3g3h s PHE 102 N -1.30 2.05 0.96 4.23 0.08 -1.26 -0.84 117.98 121.90 3g3h s PHE 102 Ca 0.26 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 3g3h s PHE 102 Cb -0.12 -1.21 0.17 0.00 -0.57 0.00 0.00 43.02 41.28 3g3h s PHE 102 CO 0.18 0.12 1.10 -1.54 -0.10 0.00 0.00 175.22 174.99 3g3h s SER 103 N -1.28 2.66 0.98 1.36 1.04 -0.04 -4.95 113.70 113.47 3g3h s SER 103 Ca 0.10 1.87 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 3g3h s SER 103 Cb -0.09 -2.43 0.18 0.00 0.10 0.00 0.00 66.02 63.78 3g3h s SER 103 CO 0.02 -3.21 1.11 -0.54 0.98 0.00 0.00 173.24 171.60 3g3h s LYS 104 N -4.67 0.49 0.41 4.02 1.02 -1.26 -4.48 119.74 115.26 3g3h s LYS 104 Ca 0.66 1.31 -0.24 0.00 0.02 0.00 0.00 55.97 57.72 3g3h s LYS 104 Cb -0.22 -1.68 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 3g3h s LYS 104 CO 0.59 -2.92 1.11 -2.14 -0.92 0.00 0.00 175.35 171.08 3g3h s PRO 105 N -4.61 4.05 0.00 -1.68 0.02 -1.26 -4.60 135.00 126.92 3g3h s PRO 105 Ca 0.67 1.67 0.22 0.00 0.02 0.00 0.00 61.00 63.58 3g3h s PRO 105 Cb -0.23 -2.56 -0.12 0.00 0.02 0.00 0.00 34.50 31.61 3g3h s PRO 105 CO 0.60 -0.28 0.99 1.97 -0.33 0.00 0.00 177.00 179.95 3g3h n PHE 106 N -0.10 0.00 -3.69 6.54 1.16 -0.25 -4.95 117.46 116.17 3g3h n PHE 106 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.50 3g3h n PHE 106 Cb 0.48 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.26 3g3h n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3g3h s MET 107 N -2.76 0.63 0.11 3.97 0.00 -1.25 -5.01 119.30 114.99 3g3h s MET 107 Ca 0.13 0.66 0.10 0.00 0.00 0.00 0.00 55.69 56.58 3g3h s MET 107 Cb 0.17 0.31 -0.04 0.00 0.00 0.00 0.00 34.83 35.27 3g3h s MET 107 CO 0.73 -0.09 -0.26 -0.08 0.00 0.00 0.00 175.02 175.32 3g3h s THR 108 N 0.13 2.26 0.15 10.11 -1.32 -1.26 -1.03 115.64 124.69 3g3h s THR 108 Ca -0.01 -1.66 -0.11 0.00 -1.21 0.00 0.00 61.69 58.70 3g3h s THR 108 Cb -0.04 -1.98 0.04 0.00 -1.51 0.00 0.00 72.50 69.02 3g3h s THR 108 CO 0.01 0.15 0.53 0.00 -2.21 0.00 0.00 174.62 173.11 3g3h n LEU 109 N 1.10 0.00 -3.72 9.08 -0.00 -0.00 -4.91 117.00 118.56 3g3h n LEU 109 Ca -0.18 -1.10 -0.09 0.00 -0.00 0.00 0.00 56.01 54.65 3g3h n LEU 109 Cb 0.53 1.84 -0.02 0.00 -0.00 0.00 0.00 43.42 45.77 3g3h n LEU 109 CO 0.23 -0.37 0.43 -0.83 -0.00 0.00 0.00 177.39 176.85 3g3h s GLY 110 N -2.52 -0.24 0.30 1.47 0.00 -1.26 -1.41 107.32 103.66 3g3h s GLY 110 Ca 0.11 -0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 3g3h s GLY 110 CO 0.05 -0.04 1.30 -0.42 0.00 0.00 0.00 173.10 173.98 3g3h s ILE 111 N -3.87 2.87 0.00 0.90 1.01 -1.26 -0.49 121.20 120.37 3g3h s ILE 111 Ca 0.08 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.57 3g3h s ILE 111 Cb -0.04 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.90 3g3h s ILE 111 CO 0.00 0.18 0.00 -0.24 0.00 0.00 0.00 174.94 174.88 3g3h n SER 112 N 1.27 0.00 -4.20 3.58 2.88 0.19 -0.27 113.62 117.07 3g3h n SER 112 Ca 0.01 -0.55 -0.30 0.00 -1.33 0.00 0.00 58.87 56.70 3g3h n SER 112 Cb 0.42 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.72 3g3h n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3g3h s ILE 113 N -1.98 1.85 -0.20 2.46 1.01 -1.23 -1.40 121.20 121.71 3g3h s ILE 113 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 3g3h s ILE 113 Cb 0.00 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3g3h s ILE 113 CO 0.00 0.52 0.08 -0.22 0.00 0.00 0.00 174.94 175.32 3g3h s LEU 114 N 0.14 3.87 0.28 2.97 2.96 0.66 -0.45 118.68 129.12 3g3h s LEU 114 Ca -0.10 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.77 3g3h s LEU 114 Cb -0.15 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.55 3g3h s LEU 114 CO 0.05 0.14 0.52 -0.47 -1.32 0.00 0.00 176.35 175.27 3g3h s TYR 115 N 0.57 0.44 0.42 5.38 5.04 -0.64 -1.19 117.35 127.37 3g3h s TYR 115 Ca 0.04 -0.81 -0.23 0.00 -2.44 0.00 0.00 57.07 53.63 3g3h s TYR 115 Cb -0.13 0.23 -0.09 0.00 0.35 0.00 0.00 41.96 42.33 3g3h s TYR 115 CO 0.01 -1.09 1.06 1.03 -1.34 0.00 0.00 175.55 175.22 3g3h s ARG 116 N -3.68 4.05 0.77 4.97 0.52 -1.26 -1.03 118.95 123.30 3g3h s ARG 116 Ca 0.23 1.52 -0.14 0.00 -0.52 0.00 0.00 55.73 56.82 3g3h s ARG 116 Cb -0.01 -2.45 0.06 0.00 0.52 0.00 0.00 34.95 33.06 3g3h s ARG 116 CO 0.11 -0.24 1.22 0.15 0.02 0.00 0.00 175.30 176.56 3g3h s LYS 117 N -2.64 1.88 0.00 3.54 1.02 -0.45 -4.62 119.74 118.47 3g3h s LYS 117 Ca 0.60 1.80 0.00 0.00 0.02 0.00 0.00 55.97 58.39 3g3h s LYS 117 Cb -0.22 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3g3h s LYS 117 CO 0.27 -2.04 0.00 0.41 -0.92 0.00 0.00 175.35 173.07 3g3h n GLY 118 N 0.51 -0.02 3.53 -3.33 0.00 -1.26 -5.04 105.19 99.58 3g3h n GLY 118 Ca 0.14 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 3g3h n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g3h s THR 119 N -2.15 0.00 -1.88 2.61 -1.32 -1.26 -5.01 115.64 106.62 3g3h s THR 119 Ca 0.00 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.75 3g3h s THR 119 Cb 0.00 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.38 3g3h s THR 119 CO 0.00 0.00 1.69 -0.81 -2.21 0.00 0.00 174.62 173.29 3g3h n PRO 120 N 1.06 0.97 -1.94 7.08 -0.04 -1.26 -4.86 135.00 136.00 3g3h n PRO 120 Ca -0.18 -0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 62.35 3g3h n PRO 120 Cb 0.57 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3g3h n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3g3h s ILE 121 N -2.38 3.03 0.00 0.52 -1.09 -1.26 -4.88 121.20 115.13 3g3h s ILE 121 Ca 0.29 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 3g3h s ILE 121 Cb 0.20 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3g3h s ILE 121 CO 0.47 0.00 0.15 -0.67 -1.23 0.00 0.00 174.94 173.66 3g3h n ASP 122 N 5.40 0.30 -3.71 3.58 2.03 -1.26 -4.87 116.55 118.03 3g3h n ASP 122 Ca 0.15 -0.65 -0.04 0.00 0.52 0.00 0.00 54.79 54.77 3g3h n ASP 122 Cb 0.40 0.31 -0.01 0.00 -0.72 0.00 0.00 41.12 41.10 3g3h n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3g3h s SER 123 N -0.31 -0.20 0.25 1.67 1.04 -1.26 -3.28 113.70 111.62 3g3h s SER 123 Ca 0.00 -0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 3g3h s SER 123 Cb 0.00 0.46 0.37 0.00 0.10 0.00 0.00 66.02 66.95 3g3h s SER 123 CO 0.00 -0.84 1.87 0.00 0.98 0.00 0.00 173.24 175.25 3g3h h ALA 124 N 2.00 1.30 -0.39 5.32 0.00 -1.97 -2.42 119.26 123.09 3g3h h ALA 124 Ca -0.24 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3g3h h ALA 124 Cb 1.23 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 3g3h h ALA 124 CO 0.26 0.37 -0.30 -0.44 0.00 0.00 0.00 179.25 179.14 3g3h h ASP 125 N 1.09 -1.00 -0.81 0.00 3.32 -1.95 0.47 116.42 117.54 3g3h h ASP 125 Ca 0.41 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.70 3g3h h ASP 125 Cb 0.17 0.48 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 3g3h h ASP 125 CO -0.17 -0.31 0.49 0.44 -1.72 0.00 0.00 179.24 177.97 3g3h h ASP 126 N -0.23 0.77 -0.51 6.45 3.32 -1.84 -2.12 116.42 122.25 3g3h h ASP 126 Ca 0.18 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3g3h h ASP 126 Cb 0.52 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3g3h h ASP 126 CO -0.53 0.49 0.15 -0.07 -1.72 0.00 0.00 179.24 177.56 3g3h h LEU 127 N 0.90 0.76 -1.73 1.55 3.38 -0.94 -3.15 115.31 116.07 3g3h h LEU 127 Ca 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3g3h h LEU 127 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3g3h h LEU 127 CO -0.17 0.78 0.05 0.00 0.09 0.00 0.00 178.44 179.18 3g3h h ALA 128 N 1.01 1.79 -0.12 1.53 0.00 -0.32 -2.49 119.26 120.66 3g3h h ALA 128 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g3h h ALA 128 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g3h h ALA 128 CO -0.00 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.05 3g3h n LYS 129 N -4.45 1.39 -4.19 0.00 5.02 -0.86 -4.86 118.16 110.21 3g3h n LYS 129 Ca -0.01 -0.60 -0.12 0.00 -2.02 0.00 0.00 58.31 55.57 3g3h n LYS 129 Cb 0.13 -1.27 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 3g3h n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3g3h s GLN 130 N -1.84 1.21 0.00 1.97 1.03 -0.94 -5.07 119.66 116.02 3g3h s GLN 130 Ca 0.23 -1.61 0.00 0.00 0.04 0.00 0.00 55.36 54.03 3g3h s GLN 130 Cb 0.12 0.28 0.00 0.00 0.03 0.00 0.00 33.01 33.44 3g3h s GLN 130 CO 0.18 -0.40 0.11 0.25 -2.54 0.00 0.00 175.29 172.89 3g3h n THR 131 N -0.27 0.00 -0.16 3.63 -2.24 -1.26 -4.84 114.28 109.14 3g3h n THR 131 Ca 0.02 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 3g3h n THR 131 Cb 0.66 1.51 0.00 0.00 -2.10 0.00 0.00 70.33 70.40 3g3h n THR 131 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3g3h h LYS 132 N 0.00 0.69 -5.56 -0.78 1.57 -1.97 -3.38 116.57 107.14 3g3h h LYS 132 Ca 0.00 -0.14 -0.62 0.00 -1.87 0.00 0.00 60.65 58.01 3g3h h LYS 132 Cb 0.25 -0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.34 3g3h h LYS 132 CO 0.00 0.66 0.20 0.42 -0.57 0.00 0.00 179.45 180.16 3g3h s ILE 133 N -5.44 4.87 0.68 1.86 1.01 -1.26 -4.97 121.20 117.95 3g3h s ILE 133 Ca -0.13 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.15 3g3h s ILE 133 Cb 0.11 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 3g3h s ILE 133 CO 0.77 -0.29 1.06 -1.61 0.00 0.00 0.00 174.94 174.88 3g3h s GLU 134 N 2.77 3.07 0.07 2.79 2.02 -0.87 -4.87 118.70 123.68 3g3h s GLU 134 Ca 0.26 0.69 -0.16 0.00 0.02 0.00 0.00 54.97 55.78 3g3h s GLU 134 Cb -0.14 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.09 3g3h s GLU 134 CO 0.14 -0.94 0.37 1.52 0.02 0.00 0.00 175.26 176.37 3g3h s TYR 135 N -3.21 -0.18 0.00 1.61 1.13 -1.26 -0.73 117.35 114.72 3g3h s TYR 135 Ca 0.57 0.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.25 3g3h s TYR 135 Cb -0.12 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 3g3h s TYR 135 CO 0.54 -0.58 0.00 0.41 -2.51 0.00 0.00 175.55 173.40 3g3h n GLY 136 N 0.31 2.14 3.81 5.49 0.00 -1.12 -4.73 105.19 111.09 3g3h n GLY 136 Ca -0.18 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 3g3h n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3h s ALA 137 N -1.00 -1.42 0.08 4.61 0.00 -1.19 -0.95 121.76 121.89 3g3h s ALA 137 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 3g3h s ALA 137 Cb 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.78 3g3h s ALA 137 CO 0.00 -1.04 1.47 0.08 0.00 0.00 0.00 175.76 176.27 3g3h s VAL 138 N -3.43 3.29 0.24 0.00 1.01 -1.26 -1.45 120.40 118.80 3g3h s VAL 138 Ca 0.12 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 3g3h s VAL 138 Cb -0.04 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 3g3h s VAL 138 CO 0.05 0.03 1.45 -0.70 0.00 0.00 0.00 175.10 175.93 3g3h s GLU 139 N 1.79 4.26 -1.31 2.72 2.12 0.80 -3.19 118.70 125.90 3g3h s GLU 139 Ca 0.67 2.31 -0.00 0.00 0.36 0.00 0.00 54.97 58.30 3g3h s GLU 139 Cb -0.37 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3g3h s GLU 139 CO 0.30 -0.43 0.00 -0.25 -0.54 0.00 0.00 175.26 174.34 3g3h n ASP 140 N 2.42 -4.61 -3.52 -1.70 8.00 -1.26 -4.82 116.55 111.06 3g3h n ASP 140 Ca 0.07 -0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.39 3g3h n ASP 140 Cb 0.40 -3.74 -0.02 0.00 -0.02 0.00 0.00 41.12 37.74 3g3h n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3h n GLY 141 N -1.02 3.36 0.24 0.44 0.00 -1.19 -1.42 105.19 105.59 3g3h n GLY 141 Ca -0.18 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.51 3g3h n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3h h ALA 142 N 0.92 0.94 -0.26 4.61 0.00 -1.88 -2.03 119.26 121.56 3g3h h ALA 142 Ca -0.21 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3g3h h ALA 142 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3g3h h ALA 142 CO 0.34 0.61 0.04 1.15 0.00 0.00 0.00 179.25 181.39 3g3h h THR 143 N 0.50 1.23 -0.64 0.00 2.02 -1.95 -0.30 112.91 113.77 3g3h h THR 143 Ca 0.06 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.50 3g3h h THR 143 Cb 0.78 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 3g3h h THR 143 CO 0.06 0.25 0.36 -0.03 0.37 0.00 0.00 175.52 176.53 3g3h h MET 144 N 0.25 0.65 -0.26 6.66 -1.53 -1.72 -2.20 114.93 116.77 3g3h h MET 144 Ca 0.08 -0.04 -0.13 0.00 -3.44 0.00 0.00 59.70 56.17 3g3h h MET 144 Cb 0.34 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.23 3g3h h MET 144 CO 0.01 0.43 -0.37 1.15 0.14 0.00 0.00 176.91 178.26 3g3h h THR 145 N 0.67 1.29 -0.23 -0.77 2.02 -1.10 -0.28 112.91 114.51 3g3h h THR 145 Ca 0.28 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.96 3g3h h THR 145 Cb 0.15 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3g3h h THR 145 CO -0.17 0.48 0.09 0.15 0.37 0.00 0.00 175.52 176.44 3g3h h PHE 146 N 0.50 0.16 -0.47 3.16 3.57 -0.65 -0.92 116.94 122.29 3g3h h PHE 146 Ca 0.05 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3g3h h PHE 146 Cb 0.87 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3g3h h PHE 146 CO 0.04 0.08 0.10 0.74 -2.23 0.00 0.00 178.31 177.03 3g3h h PHE 147 N 0.20 0.80 -0.43 0.41 0.04 -0.98 -1.98 116.94 115.00 3g3h h PHE 147 Ca 0.10 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3g3h h PHE 147 Cb 0.05 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 3g3h h PHE 147 CO -0.11 0.74 0.23 -0.22 -0.60 0.00 0.00 178.31 178.35 3g3h h LYS 148 N 0.63 0.59 0.00 1.51 3.64 -0.74 -2.67 116.57 119.54 3g3h h LYS 148 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3g3h h LYS 148 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3g3h h LYS 148 CO 0.01 0.44 -0.78 0.54 -2.27 0.00 0.00 179.45 177.38 3g3h n ARG 149 N -4.42 0.24 -2.34 1.90 1.74 -0.38 -4.97 116.66 108.43 3g3h n ARG 149 Ca 0.03 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 3g3h n ARG 149 Cb 0.10 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 3g3h n ARG 149 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g3h s SER 150 N -3.87 7.06 0.00 0.55 0.15 -0.76 -4.92 113.70 111.90 3g3h s SER 150 Ca 0.06 2.35 0.18 0.00 0.70 0.00 0.00 55.95 59.24 3g3h s SER 150 Cb 0.15 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 62.09 3g3h s SER 150 CO 0.75 -0.36 1.18 0.29 1.20 0.00 0.00 173.24 176.31 3g3h n LYS 151 N 1.87 1.92 -2.39 5.44 5.02 -1.26 -4.29 118.16 124.46 3g3h n LYS 151 Ca 0.02 -1.84 -0.41 0.00 -2.02 0.00 0.00 58.31 54.06 3g3h n LYS 151 Cb 0.44 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3g3h n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g3h s ILE 152 N -1.39 3.69 0.13 -0.18 -1.09 -1.26 -4.89 121.20 116.21 3g3h s ILE 152 Ca 0.26 1.36 -0.19 0.00 -2.23 0.00 0.00 60.65 59.86 3g3h s ILE 152 Cb 0.17 -3.87 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 3g3h s ILE 152 CO 0.24 0.19 1.71 -1.28 -1.23 0.00 0.00 174.94 174.57 3g3h h SER 153 N 5.65 -0.14 -0.53 3.58 0.87 -1.99 0.21 113.55 121.20 3g3h h SER 153 Ca -0.44 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.23 3g3h h SER 153 Cb 1.21 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 3g3h h SER 153 CO 0.76 -0.04 0.27 0.74 -0.53 0.00 0.00 176.83 178.03 3g3h h THR 154 N 0.04 0.96 0.01 2.23 2.02 -1.99 -2.05 112.91 114.13 3g3h h THR 154 Ca 0.11 -0.18 -0.20 0.00 0.77 0.00 0.00 66.41 66.91 3g3h h THR 154 Cb 0.15 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3g3h h THR 154 CO -0.20 0.10 -0.90 1.88 0.37 0.00 0.00 175.52 176.76 3g3h h TYR 155 N 0.52 0.27 -0.04 3.16 0.05 -1.70 -1.79 116.97 117.45 3g3h h TYR 155 Ca 0.23 -0.16 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 3g3h h TYR 155 Cb 0.14 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3g3h h TYR 155 CO -0.10 0.98 -0.49 0.38 -1.05 0.00 0.00 178.16 177.89 3g3h h ASP 156 N 0.10 0.11 -0.34 3.88 2.03 -0.86 -0.24 116.42 121.10 3g3h h ASP 156 Ca -0.05 -0.05 -0.07 0.00 -0.73 0.00 0.00 57.03 56.13 3g3h h ASP 156 Cb 1.54 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 40.00 3g3h h ASP 156 CO 0.14 0.59 -0.05 0.50 -1.03 0.00 0.00 179.24 179.38 3g3h h LYS 157 N 0.09 0.63 -0.61 4.15 1.63 -1.23 -1.74 116.57 119.48 3g3h h LYS 157 Ca 0.00 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 3g3h h LYS 157 Cb 0.90 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.45 3g3h h LYS 157 CO 0.07 0.78 0.38 0.52 -3.45 0.00 0.00 179.45 177.75 3g3h h MET 158 N 0.42 0.82 -0.78 1.90 2.86 -1.00 -2.54 114.93 116.61 3g3h h MET 158 Ca 0.09 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3g3h h MET 158 Cb 0.53 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3g3h h MET 158 CO 0.03 0.58 0.41 2.35 1.06 0.00 0.00 176.91 181.33 3g3h h TRP 159 N 0.83 1.10 -0.82 -0.22 2.91 -0.86 -0.44 115.95 118.43 3g3h h TRP 159 Ca 0.22 -0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.25 3g3h h TRP 159 Cb -0.04 -0.35 -0.06 0.00 -0.51 0.00 0.00 29.16 28.20 3g3h h TRP 159 CO -0.02 0.78 0.51 0.00 -1.03 0.00 0.00 178.44 178.68 3g3h h ALA 160 N 1.21 1.11 -0.21 2.65 0.00 -1.01 0.13 119.26 123.15 3g3h h ALA 160 Ca 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3g3h h ALA 160 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3g3h h ALA 160 CO -0.04 0.28 -0.02 0.35 0.00 0.00 0.00 179.25 179.82 3g3h h PHE 161 N 0.96 0.43 -0.52 0.00 3.57 -1.12 -1.94 116.94 118.31 3g3h h PHE 161 Ca 0.35 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3g3h h PHE 161 Cb 0.12 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3g3h h PHE 161 CO -0.03 0.60 0.31 0.52 -2.23 0.00 0.00 178.31 177.47 3g3h h MET 162 N 0.13 0.71 -0.32 1.11 2.86 -0.68 -1.49 114.93 117.26 3g3h h MET 162 Ca 0.06 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3g3h h MET 162 Cb 0.44 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3g3h h MET 162 CO 0.01 0.53 0.11 0.66 1.06 0.00 0.00 176.91 179.28 3g3h h SER 163 N 0.70 0.46 -0.53 1.22 4.64 -0.77 0.58 113.55 119.85 3g3h h SER 163 Ca 0.19 -0.19 0.09 0.00 -0.47 0.00 0.00 61.79 61.40 3g3h h SER 163 Cb 0.01 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 61.90 3g3h h SER 163 CO -0.03 0.53 0.11 -1.28 -0.87 0.00 0.00 176.83 175.29 3g3h h SER 164 N 0.36 0.01 -0.61 4.97 0.87 -1.11 -2.83 113.55 115.20 3g3h h SER 164 Ca 0.10 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.62 3g3h h SER 164 Cb 0.23 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 3g3h h SER 164 CO -0.00 0.03 0.16 0.54 -0.53 0.00 0.00 176.83 177.02 3g3h n ARG 165 N -5.11 3.74 0.15 2.24 1.74 -0.58 -4.75 116.66 114.08 3g3h n ARG 165 Ca 0.06 -3.08 0.08 0.00 -0.77 0.00 0.00 57.85 54.15 3g3h n ARG 165 Cb 0.26 -2.15 0.58 0.00 -1.02 0.00 0.00 32.46 30.13 3g3h n ARG 165 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3g3h h ARG 166 N 2.71 0.16 0.00 5.56 0.11 -0.62 0.08 114.38 122.39 3g3h h ARG 166 Ca 0.17 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.20 3g3h h ARG 166 Cb 2.10 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 33.14 3g3h h ARG 166 CO 0.60 0.11 -0.18 1.96 0.10 0.00 0.00 179.97 182.55 3g3h h GLN 167 N 0.17 0.00 0.04 0.08 1.08 -1.86 -1.93 115.11 112.70 3g3h h GLN 167 Ca 0.08 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.91 3g3h h GLN 167 Cb 0.12 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 3g3h h GLN 167 CO -0.01 0.18 -2.27 0.45 -0.95 0.00 0.00 178.83 176.22 3g3h n SER 168 N -3.84 1.84 -0.01 1.46 2.88 -0.12 -4.73 113.62 111.11 3g3h n SER 168 Ca -0.02 0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3g3h n SER 168 Cb 0.28 -0.45 -0.15 0.00 -0.75 0.00 0.00 64.21 63.14 3g3h n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3g3h n VAL 169 N -3.29 0.00 -3.34 2.46 0.24 -0.40 -4.85 118.33 109.15 3g3h n VAL 169 Ca -0.39 -0.34 -0.38 0.00 -2.04 0.00 0.00 64.34 61.19 3g3h n VAL 169 Cb 1.02 0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 33.66 3g3h n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3h s LEU 170 N -3.99 4.42 0.29 1.34 1.43 -0.73 -3.15 118.68 118.29 3g3h s LEU 170 Ca -0.03 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.17 3g3h s LEU 170 Cb 0.14 -2.76 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 3g3h s LEU 170 CO 0.86 0.18 -0.04 0.68 0.23 0.00 0.00 176.35 178.26 3g3h s VAL 171 N -0.44 1.60 -0.78 -1.59 -7.23 -0.53 -4.82 120.40 106.61 3g3h s VAL 171 Ca 0.27 -2.11 0.25 0.00 -1.81 0.00 0.00 61.98 58.58 3g3h s VAL 171 Cb -0.17 -2.50 0.07 0.00 0.56 0.00 0.00 36.38 34.34 3g3h s VAL 171 CO 0.15 -0.26 1.44 0.29 -0.31 0.00 0.00 175.10 176.40 3g3h n LYS 172 N -0.60 0.18 -3.50 4.82 5.02 -1.26 -0.14 118.16 122.68 3g3h n LYS 172 Ca -0.05 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 3g3h n LYS 172 Cb 0.64 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 3g3h n LYS 172 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g3h s SER 173 N -3.81 -0.45 0.25 4.39 1.04 -1.26 -4.80 113.70 109.07 3g3h s SER 173 Ca 0.09 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 3g3h s SER 173 Cb 0.15 0.56 0.36 0.00 0.10 0.00 0.00 66.02 67.18 3g3h s SER 173 CO 0.69 -0.93 1.86 0.78 0.98 0.00 0.00 173.24 176.61 3g3h h ASN 174 N 2.13 0.89 -0.99 7.02 2.35 -1.94 -2.24 115.58 122.80 3g3h h ASN 174 Ca -0.34 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.49 3g3h h ASN 174 Cb 1.29 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 39.42 3g3h h ASN 174 CO 0.41 0.57 0.64 -0.08 -1.65 0.00 0.00 177.43 177.32 3g3h h GLU 175 N 1.02 1.14 -0.32 0.81 4.57 -1.97 -0.34 114.58 119.49 3g3h h GLU 175 Ca 0.39 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.41 3g3h h GLU 175 Cb 0.18 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3g3h h GLU 175 CO -0.18 0.75 -0.17 1.49 -1.18 0.00 0.00 179.01 179.72 3g3h h GLU 176 N 1.17 0.59 -0.48 1.92 4.81 -1.85 -1.52 114.58 119.23 3g3h h GLU 176 Ca 0.42 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 3g3h h GLU 176 Cb 0.14 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3g3h h GLU 176 CO -0.17 0.74 0.04 0.78 -0.73 0.00 0.00 179.01 179.68 3g3h h GLY 177 N 0.98 0.88 0.99 1.92 0.00 -0.74 -1.58 103.07 105.52 3g3h h GLY 177 Ca 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3g3h h GLY 177 CO 0.04 0.57 0.29 -2.22 0.00 0.00 0.00 176.54 175.22 3g3h h ILE 178 N 0.68 1.16 -0.42 2.60 2.04 -0.77 -1.38 117.51 121.43 3g3h h ILE 178 Ca 0.14 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3g3h h ILE 178 Cb 0.45 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3g3h h ILE 178 CO 0.02 0.17 0.04 1.56 0.00 0.00 0.00 178.15 179.93 3g3h h GLN 179 N 0.68 0.66 -0.70 2.37 1.08 -1.09 -1.47 115.11 116.64 3g3h h GLN 179 Ca 0.18 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 3g3h h GLN 179 Cb 0.02 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 3g3h h GLN 179 CO -0.03 0.65 0.24 -0.09 -0.95 0.00 0.00 178.83 178.65 3g3h h ARG 180 N 0.63 1.08 -0.95 1.46 9.65 -0.83 -1.12 114.38 124.29 3g3h h ARG 180 Ca 0.13 -0.22 0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3g3h h ARG 180 Cb 0.34 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 28.70 3g3h h ARG 180 CO 0.01 0.91 0.62 0.28 2.80 0.00 0.00 179.97 184.59 3g3h h VAL 181 N 1.02 1.14 0.00 0.20 2.07 -0.47 -2.17 116.25 118.05 3g3h h VAL 181 Ca 0.23 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3g3h h VAL 181 Cb 0.27 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3g3h h VAL 181 CO -0.01 0.22 -0.05 -0.07 0.02 0.00 0.00 177.57 177.68 3g3h h LEU 182 N 1.18 0.00 -1.21 2.57 3.38 -0.85 -3.36 115.31 117.03 3g3h h LEU 182 Ca 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3g3h h LEU 182 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g3h h LEU 182 CO -0.13 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.75 3g3h n THR 183 N -2.62 0.11 -3.90 0.22 -2.24 -0.46 -5.05 114.28 100.34 3g3h n THR 183 Ca 0.05 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 3g3h n THR 183 Cb 0.48 0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 69.63 3g3h n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g3h s SER 184 N -0.11 -0.18 -1.11 3.42 1.04 -0.83 -5.05 113.70 110.87 3g3h s SER 184 Ca 0.00 -0.73 -0.18 0.00 0.48 0.00 0.00 55.95 55.53 3g3h s SER 184 Cb 0.00 0.63 0.12 0.00 0.10 0.00 0.00 66.02 66.87 3g3h s SER 184 CO 0.00 -1.20 1.41 -0.62 0.98 0.00 0.00 173.24 173.81 3g3h s ASP 185 N -2.95 6.79 -0.07 7.02 2.15 -1.26 -4.58 116.67 123.77 3g3h s ASP 185 Ca 0.16 -2.33 -0.06 0.00 0.43 0.00 0.00 52.55 50.75 3g3h s ASP 185 Cb -0.03 -2.47 0.03 0.00 -0.30 0.00 0.00 42.92 40.15 3g3h s ASP 185 CO 0.06 -1.06 0.18 -0.47 -0.17 0.00 0.00 175.17 173.71 3g3h s TYR 186 N 3.05 -0.21 -0.08 -5.34 6.14 -1.26 -2.05 117.35 117.60 3g3h s TYR 186 Ca 0.43 0.52 0.01 0.00 0.64 0.00 0.00 57.07 58.67 3g3h s TYR 186 Cb -0.01 0.04 -0.03 0.00 0.42 0.00 0.00 41.96 42.38 3g3h s TYR 186 CO -0.03 -0.13 -0.08 0.00 0.64 0.00 0.00 175.55 175.95 3g3h s ALA 187 N 0.44 2.92 -0.16 3.97 0.00 0.09 -4.41 121.76 124.61 3g3h s ALA 187 Ca -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3g3h s ALA 187 Cb -0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3g3h s ALA 187 CO -0.02 0.53 -0.09 0.12 0.00 0.00 0.00 175.76 176.30 3g3h s PHE 188 N -0.65 2.90 -0.32 0.00 5.36 -0.34 -2.79 117.98 122.15 3g3h s PHE 188 Ca 0.10 -0.65 -0.28 0.00 -0.96 0.00 0.00 56.93 55.14 3g3h s PHE 188 Cb -0.11 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 3g3h s PHE 188 CO 0.02 -0.26 1.01 -0.51 -1.46 0.00 0.00 175.22 174.01 3g3h s LEU 189 N 0.64 3.97 0.02 6.12 1.02 -0.13 -0.25 118.68 130.08 3g3h s LEU 189 Ca -0.05 0.95 -0.08 0.00 0.02 0.00 0.00 54.13 54.97 3g3h s LEU 189 Cb -0.15 -3.43 0.00 0.00 0.02 0.00 0.00 46.19 42.63 3g3h s LEU 189 CO 0.03 -0.82 0.15 -0.32 0.02 0.00 0.00 176.35 175.40 3g3h s MET 190 N 3.48 0.55 0.34 1.70 1.75 -0.49 -4.54 119.30 122.09 3g3h s MET 190 Ca 0.42 -0.50 -0.27 0.00 -1.25 0.00 0.00 55.69 54.09 3g3h s MET 190 Cb -0.13 0.23 -0.09 0.00 2.84 0.00 0.00 34.83 37.68 3g3h s MET 190 CO 0.15 -0.14 1.11 -1.21 -0.65 0.00 0.00 175.02 174.28 3g3h s GLU 191 N -1.84 4.38 0.27 4.11 2.02 -1.26 -0.64 118.70 125.75 3g3h s GLU 191 Ca -0.11 1.76 -0.02 0.00 0.02 0.00 0.00 54.97 56.62 3g3h s GLU 191 Cb -0.05 -2.91 0.36 0.00 0.10 0.00 0.00 34.13 31.63 3g3h s GLU 191 CO -0.00 -0.01 1.83 0.66 0.02 0.00 0.00 175.26 177.75 3g3h h SER 192 N 3.22 0.84 0.08 -0.19 4.64 -1.11 -0.96 113.55 120.06 3g3h h SER 192 Ca -0.48 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 60.65 3g3h h SER 192 Cb 1.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3g3h h SER 192 CO 0.65 0.79 -0.18 0.71 -0.87 0.00 0.00 176.83 177.93 3g3h h THR 193 N 0.88 1.19 -0.04 2.95 1.35 -1.91 -0.99 112.91 116.35 3g3h h THR 193 Ca 0.20 -0.88 -0.26 0.00 -0.55 0.00 0.00 66.41 64.92 3g3h h THR 193 Cb 0.25 1.30 0.02 0.00 -1.73 0.00 0.00 68.15 67.99 3g3h h THR 193 CO -0.01 0.27 -0.98 0.74 -0.25 0.00 0.00 175.52 175.29 3g3h h THR 194 N 0.19 1.28 -0.76 6.82 2.02 -1.68 -2.91 112.91 117.86 3g3h h THR 194 Ca 0.04 -2.18 0.08 0.00 0.77 0.00 0.00 66.41 65.12 3g3h h THR 194 Cb 0.43 2.28 -0.07 0.00 -1.74 0.00 0.00 68.15 69.05 3g3h h THR 194 CO 0.03 0.68 0.43 0.40 0.37 0.00 0.00 175.52 177.42 3g3h h ILE 195 N 0.44 0.93 -0.54 3.11 2.04 -0.86 -0.77 117.51 121.85 3g3h h ILE 195 Ca -0.11 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3g3h h ILE 195 Cb 1.63 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3g3h h ILE 195 CO 0.19 0.14 0.28 -0.08 0.00 0.00 0.00 178.15 178.68 3g3h h GLU 196 N 0.75 0.52 -0.21 2.37 4.81 -1.15 0.23 114.58 121.89 3g3h h GLU 196 Ca 0.36 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3g3h h GLU 196 Cb 0.29 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3g3h h GLU 196 CO -0.23 0.34 0.10 0.35 -0.73 0.00 0.00 179.01 178.85 3g3h h PHE 197 N 0.53 0.31 -0.52 0.92 3.57 -1.15 -2.75 116.94 117.85 3g3h h PHE 197 Ca 0.24 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3g3h h PHE 197 Cb 0.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3g3h h PHE 197 CO -0.10 0.32 0.14 0.28 -2.23 0.00 0.00 178.31 176.71 3g3h h VAL 198 N 0.21 1.24 0.00 1.41 2.07 -0.68 -2.98 116.25 117.52 3g3h h VAL 198 Ca 0.07 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 3g3h h VAL 198 Cb 0.13 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3g3h h VAL 198 CO -0.01 0.31 -0.26 0.71 0.02 0.00 0.00 177.57 178.34 3g3h h THR 199 N 0.73 0.49 0.00 2.57 1.35 -1.00 -0.50 112.91 116.54 3g3h h THR 199 Ca 0.16 -1.45 -0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3g3h h THR 199 Cb 0.32 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3g3h h THR 199 CO 0.00 0.25 -0.01 1.56 -0.25 0.00 0.00 175.52 177.08 3g3h h GLN 200 N 0.00 0.00 -0.00 4.72 1.08 -1.34 -3.26 115.11 116.31 3g3h h GLN 200 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3g3h h GLN 200 Cb 1.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 3g3h h GLN 200 CO 0.03 0.01 -0.47 0.54 -0.95 0.00 0.00 178.83 177.99 3g3h n ARG 201 N -3.10 3.68 -3.78 1.46 1.74 -0.97 -3.56 116.66 112.13 3g3h n ARG 201 Ca 0.01 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 3g3h n ARG 201 Cb 0.34 -0.97 -0.16 0.00 -1.02 0.00 0.00 32.46 30.65 3g3h n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3g3h s ASN 202 N -1.95 3.71 0.00 0.55 3.84 -0.24 -5.00 114.94 115.86 3g3h s ASN 202 Ca 0.04 -1.34 0.25 0.00 0.21 0.00 0.00 52.86 52.02 3g3h s ASN 202 Cb 0.08 -0.87 1.50 0.00 -0.55 0.00 0.00 41.25 41.41 3g3h s ASN 202 CO 0.41 -0.35 1.88 0.00 -2.79 0.00 0.00 177.10 176.25 3g3h n ASN 204 N -0.97 0.46 -4.62 0.00 3.02 -1.26 -4.92 115.26 106.97 3g3h n ASN 204 Ca 0.19 -0.19 -0.25 0.00 -0.03 0.00 0.00 54.58 54.29 3g3h n ASN 204 Cb 0.09 0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.33 3g3h n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g3h s LEU 205 N -2.98 3.13 0.11 3.41 1.43 -0.86 -1.34 118.68 121.58 3g3h s LEU 205 Ca 0.12 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3g3h s LEU 205 Cb 0.18 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.66 3g3h s LEU 205 CO 0.67 0.06 0.27 0.28 0.23 0.00 0.00 176.35 177.86 3g3h s THR 206 N -1.93 0.11 0.24 5.49 -1.32 -0.20 -4.75 115.64 113.28 3g3h s THR 206 Ca 0.28 -0.99 -0.30 0.00 -1.21 0.00 0.00 61.69 59.46 3g3h s THR 206 Cb -0.08 -1.32 -0.09 0.00 -1.51 0.00 0.00 72.50 69.51 3g3h s THR 206 CO 0.18 -0.52 1.00 -1.58 -2.21 0.00 0.00 174.62 171.49 3g3h s GLN 207 N -3.85 4.76 -0.16 7.08 0.74 -1.26 -1.62 119.66 125.35 3g3h s GLN 207 Ca 0.05 1.60 -0.01 0.00 0.05 0.00 0.00 55.36 57.05 3g3h s GLN 207 Cb 0.04 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.88 3g3h s GLN 207 CO -0.11 0.37 -0.10 0.42 -0.55 0.00 0.00 175.29 175.32 3g3h s ILE 208 N -1.01 3.13 0.00 -2.34 -1.09 0.41 -4.94 121.20 115.35 3g3h s ILE 208 Ca 0.43 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 3g3h s ILE 208 Cb -0.28 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 3g3h s ILE 208 CO 0.35 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.16 3g3h n GLY 209 N 3.96 -1.52 0.00 6.18 0.00 -1.21 -3.57 105.19 109.03 3g3h n GLY 209 Ca -0.18 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3g3h n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3h n GLY 210 N 0.00 2.74 3.74 -0.02 0.00 -1.26 -4.89 105.19 105.49 3g3h n GLY 210 Ca 0.00 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 3g3h n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3h s LEU 211 N 0.00 4.37 0.18 0.99 1.02 -1.26 -4.55 118.68 119.43 3g3h s LEU 211 Ca 0.00 1.16 0.13 0.00 0.02 0.00 0.00 54.13 55.44 3g3h s LEU 211 Cb 0.00 -2.98 -0.06 0.00 0.02 0.00 0.00 46.19 43.17 3g3h s LEU 211 CO 0.00 0.01 1.26 0.40 0.02 0.00 0.00 176.35 178.04 3g3h h ILE 212 N 4.40 1.03 -3.07 -0.59 2.04 -0.96 -3.48 117.51 116.88 3g3h h ILE 212 Ca -0.43 -2.53 -0.14 0.00 1.00 0.00 0.00 64.86 62.76 3g3h h ILE 212 Cb 1.20 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 3g3h h ILE 212 CO 0.72 0.59 -0.04 -0.90 0.00 0.00 0.00 178.15 178.52 3g3h n ASP 213 N -3.19 -0.92 -3.85 1.72 5.75 -1.26 -4.96 116.55 109.84 3g3h n ASP 213 Ca -0.01 -2.08 -0.17 0.00 -0.01 0.00 0.00 54.79 52.51 3g3h n ASP 213 Cb 0.82 1.66 -0.16 0.00 -1.03 0.00 0.00 41.12 42.41 3g3h n ASP 213 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3g3h s SER 214 N -2.27 0.53 0.27 -1.12 0.15 -1.26 -4.28 113.70 105.72 3g3h s SER 214 Ca 0.16 -0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.59 3g3h s SER 214 Cb -0.01 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.06 3g3h s SER 214 CO 0.11 -0.07 0.60 -1.59 1.20 0.00 0.00 173.24 173.50 3g3h s LYS 215 N 0.81 1.71 0.20 5.44 -2.85 -0.50 -5.00 119.74 119.56 3g3h s LYS 215 Ca -0.09 -1.17 0.11 0.00 -1.00 0.00 0.00 55.97 53.82 3g3h s LYS 215 Cb -0.12 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 3g3h s LYS 215 CO -0.01 -0.75 -0.19 0.20 0.10 0.00 0.00 175.35 174.69 3g3h s GLY 216 N -2.99 1.74 -0.02 0.59 0.00 -1.26 -0.82 107.32 104.56 3g3h s GLY 216 Ca 0.17 -1.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.08 3g3h s GLY 216 CO 0.09 -1.67 0.49 -0.19 0.00 0.00 0.00 173.10 171.82 3g3h s TYR 217 N -1.82 3.68 0.14 1.90 2.02 -0.19 -0.61 117.35 122.46 3g3h s TYR 217 Ca 0.23 1.06 0.03 0.00 -0.37 0.00 0.00 57.07 58.03 3g3h s TYR 217 Cb -0.08 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3g3h s TYR 217 CO 0.12 0.45 -0.08 0.20 -1.57 0.00 0.00 175.55 174.67 3g3h s GLY 218 N -0.46 1.00 0.01 0.71 0.00 -0.79 -1.09 107.32 106.70 3g3h s GLY 218 Ca 0.27 -1.46 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 3g3h s GLY 218 CO 0.14 -1.55 1.20 0.14 0.00 0.00 0.00 173.10 173.04 3g3h s VAL 219 N -3.45 4.15 0.12 1.40 1.01 -1.26 -4.48 120.40 117.89 3g3h s VAL 219 Ca 0.16 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 3g3h s VAL 219 Cb 0.04 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 3g3h s VAL 219 CO -0.01 0.06 0.56 -0.83 0.00 0.00 0.00 175.10 174.89 3g3h s GLY 220 N 1.28 2.54 0.09 4.51 0.00 -0.54 -0.86 107.32 114.33 3g3h s GLY 220 Ca 0.58 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.25 3g3h s GLY 220 CO 0.26 0.27 -0.07 -0.51 0.00 0.00 0.00 173.10 173.06 3g3h s THR 221 N -1.34 0.66 0.73 0.90 -4.23 -0.02 -0.50 115.64 111.85 3g3h s THR 221 Ca 0.35 -1.87 -0.15 0.00 -1.18 0.00 0.00 61.69 58.84 3g3h s THR 221 Cb -0.17 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.12 3g3h s THR 221 CO 0.19 -0.84 1.21 -2.84 -0.54 0.00 0.00 174.62 171.80 3g3h s PRO 222 N -3.66 2.15 0.15 3.99 0.02 -1.26 -1.09 135.00 135.30 3g3h s PRO 222 Ca 0.10 1.77 -0.34 0.00 0.02 0.00 0.00 61.00 62.55 3g3h s PRO 222 Cb 0.04 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.59 3g3h s PRO 222 CO -0.05 -1.83 1.61 -0.12 -0.33 0.00 0.00 177.00 176.29 3g3h n MET 223 N -2.69 2.23 -0.21 5.54 0.00 -1.26 -1.68 117.12 119.05 3g3h n MET 223 Ca 0.13 0.80 0.00 0.00 -0.00 0.00 0.00 57.70 58.64 3g3h n MET 223 Cb 0.50 -2.59 0.00 0.00 0.00 0.00 0.00 33.22 31.13 3g3h n MET 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3g3h n GLY 224 N 3.53 1.02 3.76 -5.12 0.00 -1.26 -4.96 105.19 102.16 3g3h n GLY 224 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3g3h n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3h s SER 225 N -2.93 6.41 0.28 1.61 0.15 -0.67 -4.89 113.70 113.65 3g3h s SER 225 Ca 0.00 2.95 0.25 0.00 0.70 0.00 0.00 55.95 59.85 3g3h s SER 225 Cb 0.00 -2.65 0.98 0.00 -1.71 0.00 0.00 66.02 62.64 3g3h s SER 225 CO 0.00 -0.86 1.74 1.55 1.20 0.00 0.00 173.24 176.87 3g3h h PRO 226 N 4.09 0.00 0.00 5.44 0.13 -1.96 -2.99 132.00 136.72 3g3h h PRO 226 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3g3h h PRO 226 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3g3h h PRO 226 CO 0.73 0.00 -0.06 1.88 -0.23 0.00 0.00 178.00 180.32 3g3h h TYR 227 N 0.00 0.00 -0.05 1.56 0.05 -1.97 -3.30 116.97 113.26 3g3h h TYR 227 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3g3h h TYR 227 Cb 0.44 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 3g3h h TYR 227 CO 0.00 0.06 -0.03 -0.09 -1.05 0.00 0.00 178.16 177.05 3g3h h ARG 228 N 0.00 -0.03 -0.00 4.88 1.12 -1.91 -0.14 114.38 118.30 3g3h h ARG 228 Ca -0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.71 3g3h h ARG 228 Cb 0.65 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.59 3g3h h ARG 228 CO 0.01 -0.02 -0.76 -0.44 -3.11 0.00 0.00 179.97 175.65 3g3h h ASP 229 N -0.03 0.02 -0.49 -3.80 3.32 -1.80 -2.21 116.42 111.43 3g3h h ASP 229 Ca 0.03 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 3g3h h ASP 229 Cb 0.08 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3g3h h ASP 229 CO -0.07 0.77 -0.15 0.11 -1.72 0.00 0.00 179.24 178.18 3g3h h LYS 230 N 0.01 0.99 -0.30 3.56 1.57 -1.57 -1.71 116.57 119.12 3g3h h LYS 230 Ca -0.01 -0.38 -0.18 0.00 -1.87 0.00 0.00 60.65 58.21 3g3h h LYS 230 Cb 1.34 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 3g3h h LYS 230 CO 0.10 1.05 -0.50 0.82 -0.57 0.00 0.00 179.45 180.35 3g3h h ILE 231 N 0.87 1.28 -0.51 1.86 2.04 -1.02 -1.65 117.51 120.38 3g3h h ILE 231 Ca 0.13 -1.69 0.10 0.00 1.00 0.00 0.00 64.86 64.40 3g3h h ILE 231 Cb 0.71 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 3g3h h ILE 231 CO 0.05 0.55 0.02 0.74 0.00 0.00 0.00 178.15 179.51 3g3h h THR 232 N 0.66 0.62 -0.78 -0.27 2.02 -1.27 0.34 112.91 114.23 3g3h h THR 232 Ca 0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3g3h h THR 232 Cb 1.11 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3g3h h THR 232 CO 0.11 0.02 0.47 -0.07 0.37 0.00 0.00 175.52 176.43 3g3h h LEU 233 N 0.13 0.94 -0.69 2.58 3.38 -1.08 -0.90 115.31 119.67 3g3h h LEU 233 Ca 0.26 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3g3h h LEU 233 Cb 0.39 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3g3h h LEU 233 CO -0.41 0.73 0.14 0.00 0.09 0.00 0.00 178.44 178.99 3g3h h ALA 234 N 1.25 0.91 -0.47 1.53 0.00 -0.83 -1.37 119.26 120.27 3g3h h ALA 234 Ca 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3g3h h ALA 234 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3g3h h ALA 234 CO -0.05 0.65 0.20 0.82 0.00 0.00 0.00 179.25 180.87 3g3h h ILE 235 N 1.04 1.20 -0.65 0.00 2.04 -0.61 -0.62 117.51 119.91 3g3h h ILE 235 Ca 0.21 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3g3h h ILE 235 Cb 0.40 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3g3h h ILE 235 CO 0.01 0.23 0.23 -0.07 0.00 0.00 0.00 178.15 178.55 3g3h h LEU 236 N 0.61 0.90 -0.02 1.44 3.38 -0.90 -0.14 115.31 120.58 3g3h h LEU 236 Ca 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g3h h LEU 236 Cb 0.17 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3g3h h LEU 236 CO -0.02 0.82 0.01 0.50 0.09 0.00 0.00 178.44 179.85 3g3h h LYS 237 N 0.95 0.02 -0.76 1.13 1.63 -0.97 -1.84 116.57 116.74 3g3h h LYS 237 Ca 0.22 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3g3h h LYS 237 Cb 0.23 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 3g3h h LYS 237 CO -0.01 0.08 0.48 -0.07 -3.45 0.00 0.00 179.45 176.48 3g3h h LEU 238 N -0.04 0.89 -0.35 5.20 3.38 -0.75 -1.96 115.31 121.67 3g3h h LEU 238 Ca 0.01 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3g3h h LEU 238 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3g3h h LEU 238 CO -0.00 0.66 -0.41 -0.61 0.09 0.00 0.00 178.44 178.17 3g3h h GLN 239 N 1.04 0.89 -0.62 1.13 -0.00 -0.82 -0.93 115.11 115.79 3g3h h GLN 239 Ca 0.28 -0.49 0.02 0.00 -0.00 0.00 0.00 58.65 58.45 3g3h h GLN 239 Cb -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.39 3g3h h GLN 239 CO -0.06 1.14 0.39 1.05 0.00 0.00 0.00 178.83 181.36 3g3h h GLU 240 N 0.69 0.76 0.00 1.69 4.11 -0.90 0.19 114.58 121.12 3g3h h GLU 240 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3g3h h GLU 240 Cb 1.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3g3h h GLU 240 CO 0.10 0.50 0.00 0.39 0.07 0.00 0.00 179.01 180.07 3g3h n GLU 241 N -4.70 0.23 -0.99 1.06 1.02 -0.78 -4.84 120.64 111.65 3g3h n GLU 241 Ca 0.06 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3g3h n GLU 241 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3g3h n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3h n GLY 242 N 0.14 0.59 0.17 0.62 0.00 0.06 -4.95 105.19 101.81 3g3h n GLY 242 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 3g3h n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3h h LYS 243 N 1.44 0.26 -0.44 1.61 1.57 -1.38 -2.39 116.57 117.24 3g3h h LYS 243 Ca 0.00 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 3g3h h LYS 243 Cb 0.07 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3g3h h LYS 243 CO 0.00 0.80 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.57 3g3h h LEU 244 N 0.19 0.71 -0.68 2.94 3.38 -1.86 -1.02 115.31 118.96 3g3h h LEU 244 Ca -0.01 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 3g3h h LEU 244 Cb 1.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3g3h h LEU 244 CO 0.10 0.81 -0.16 -0.74 0.09 0.00 0.00 178.44 178.53 3g3h h HIS 245 N 0.69 0.96 -0.53 1.13 2.76 -1.84 -0.95 115.15 117.36 3g3h h HIS 245 Ca 0.13 -0.20 -0.09 0.00 -2.20 0.00 0.00 60.37 58.01 3g3h h HIS 245 Cb 0.48 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3g3h h HIS 245 CO 0.02 0.95 -0.01 0.52 -1.30 0.00 0.00 177.93 178.11 3g3h h MET 246 N 0.76 0.90 -0.49 5.26 2.86 -1.20 -0.71 114.93 122.31 3g3h h MET 246 Ca 0.11 -0.27 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 3g3h h MET 246 Cb 0.68 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3g3h h MET 246 CO 0.05 0.90 -0.15 0.52 1.06 0.00 0.00 176.91 179.29 3g3h h MET 247 N 0.83 0.96 -0.41 1.72 2.07 -0.83 -1.65 114.93 117.62 3g3h h MET 247 Ca 0.15 -0.38 -0.02 0.00 -2.07 0.00 0.00 59.70 57.38 3g3h h MET 247 Cb 0.51 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 3g3h h MET 247 CO 0.03 1.05 0.17 -0.22 1.07 0.00 0.00 176.91 179.01 3g3h h LYS 248 N 0.82 0.61 -0.58 1.72 3.64 -0.91 -2.24 116.57 119.64 3g3h h LYS 248 Ca 0.12 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3g3h h LYS 248 Cb 0.72 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3g3h h LYS 248 CO 0.05 0.57 0.25 0.93 -2.27 0.00 0.00 179.45 178.98 3g3h h GLU 249 N 0.52 0.83 -0.41 1.90 5.08 -0.94 -0.15 114.58 121.41 3g3h h GLU 249 Ca 0.14 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3g3h h GLU 249 Cb 0.18 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3g3h h GLU 249 CO -0.01 0.67 0.24 -0.22 -1.00 0.00 0.00 179.01 178.68 3g3h h LYS 250 N 0.82 0.56 0.00 2.33 3.64 -1.01 -3.23 116.57 119.68 3g3h h LYS 250 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3g3h h LYS 250 Cb 0.14 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3g3h h LYS 250 CO -0.02 0.44 -0.83 -1.49 -2.27 0.00 0.00 179.45 175.27 3g3h h TRP 251 N 0.54 0.00 -1.94 1.91 4.06 -1.03 -3.52 115.95 115.97 3g3h h TRP 251 Ca 0.15 0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.64 3g3h h TRP 251 Cb 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3g3h h TRP 251 CO -0.03 0.00 -0.39 -1.58 -3.56 0.00 0.00 178.44 172.88 3g3h s TRP 252 N -3.29 3.18 0.00 0.49 0.51 -0.10 -4.85 118.94 114.88 3g3h s TRP 252 Ca 0.02 -0.17 0.00 0.00 -2.12 0.00 0.00 56.10 53.83 3g3h s TRP 252 Cb 0.11 -1.81 0.00 0.00 -0.81 0.00 0.00 33.47 30.96 3g3h s TRP 252 CO 0.76 0.18 0.00 0.00 -0.51 0.00 0.00 176.95 177.38