#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m43 h VAL 6 N 0.00 1.19 -0.27 1.55 3.04 -1.99 -2.94 116.25 116.84 3m43 h VAL 6 Ca 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 3m43 h VAL 6 Cb 0.00 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 3m43 h VAL 6 CO 0.00 0.27 0.00 -0.90 -1.01 0.00 0.00 177.57 175.93 3m43 n ASP 7 N -4.26 1.80 -4.48 3.17 5.75 -1.26 -4.86 116.55 112.41 3m43 n ASP 7 Ca -0.00 -1.87 -0.24 0.00 -0.01 0.00 0.00 54.79 52.67 3m43 n ASP 7 Cb 0.28 -0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 40.09 3m43 n ASP 7 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3m43 s VAL 8 N -1.64 2.18 0.58 2.12 -7.23 -1.11 -5.11 120.40 110.19 3m43 s VAL 8 Ca 0.28 -2.26 -0.20 0.00 -1.81 0.00 0.00 61.98 57.98 3m43 s VAL 8 Cb 0.15 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3m43 s VAL 8 CO 0.21 -0.32 1.30 0.00 -0.31 0.00 0.00 175.10 175.98 3m43 s MET 9 N -3.60 2.95 -0.36 4.82 0.23 -1.26 -4.86 119.30 117.22 3m43 s MET 9 Ca 0.30 2.09 -0.12 0.00 -1.03 0.00 0.00 55.69 56.94 3m43 s MET 9 Cb -0.00 -2.08 0.01 0.00 -1.53 0.00 0.00 34.83 31.23 3m43 s MET 9 CO 0.14 -1.30 0.21 0.34 -2.03 0.00 0.00 175.02 172.39 3m43 s ASP 10 N -1.22 5.79 -0.31 -1.18 -1.08 -1.26 -4.98 116.67 112.44 3m43 s ASP 10 Ca 0.76 -0.78 -0.12 0.00 -0.52 0.00 0.00 52.55 51.89 3m43 s ASP 10 Cb -0.37 -2.06 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 3m43 s ASP 10 CO 0.42 -0.33 0.23 -0.69 0.52 0.00 0.00 175.17 175.32 3m43 s VAL 11 N 1.61 5.29 0.11 1.11 1.01 -1.26 -5.02 120.40 123.25 3m43 s VAL 11 Ca 0.04 0.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.70 3m43 s VAL 11 Cb -0.18 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 3m43 s VAL 11 CO 0.08 0.12 1.65 0.80 0.00 0.00 0.00 175.10 177.75 3m43 n MET 12 N 5.10 2.18 -1.28 2.72 1.56 -1.26 -1.39 117.12 124.76 3m43 n MET 12 Ca -0.13 0.79 -0.11 0.00 -0.27 0.00 0.00 57.70 57.98 3m43 n MET 12 Cb 0.51 -2.58 -0.05 0.00 2.15 0.00 0.00 33.22 33.25 3m43 n MET 12 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3m43 n ASN 13 N 4.18 -4.80 -2.31 6.12 3.02 -1.26 -2.85 115.26 117.36 3m43 n ASN 13 Ca 0.18 0.28 -0.19 0.00 -0.03 0.00 0.00 54.58 54.83 3m43 n ASN 13 Cb 0.29 -3.78 -0.02 0.00 -0.61 0.00 0.00 39.78 35.66 3m43 n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3m43 n ARG 14 N -1.10 -1.76 -3.83 3.52 1.74 -0.48 -4.95 116.66 109.79 3m43 n ARG 14 Ca -0.11 0.94 -0.27 0.00 -0.77 0.00 0.00 57.85 57.64 3m43 n ARG 14 Cb 0.53 -5.56 -0.17 0.00 -1.02 0.00 0.00 32.46 26.24 3m43 n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3m43 s LEU 15 N -5.78 1.29 -0.21 0.55 2.96 -1.13 -0.92 118.68 115.44 3m43 s LEU 15 Ca 0.00 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 3m43 s LEU 15 Cb 0.00 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 3m43 s LEU 15 CO 0.00 -0.21 0.11 -0.63 -1.32 0.00 0.00 176.35 174.29 3m43 s ILE 16 N 1.76 5.06 -0.21 6.68 1.01 0.44 -4.63 121.20 131.30 3m43 s ILE 16 Ca 0.01 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.46 3m43 s ILE 16 Cb -0.15 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 3m43 s ILE 16 CO -0.07 0.41 0.93 -0.22 0.00 0.00 0.00 174.94 175.99 3m43 s LEU 17 N 0.67 4.12 -0.83 2.97 2.96 -0.86 -0.82 118.68 126.90 3m43 s LEU 17 Ca 0.06 1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 54.97 3m43 s LEU 17 Cb -0.13 -3.36 0.07 0.00 0.50 0.00 0.00 46.19 43.27 3m43 s LEU 17 CO 0.01 -0.55 1.21 0.00 -1.32 0.00 0.00 176.35 175.70 3m43 s ALA 18 N 2.78 2.96 -1.07 5.97 0.00 0.46 -0.31 121.76 132.55 3m43 s ALA 18 Ca 0.40 -2.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 3m43 s ALA 18 Cb -0.16 -4.18 0.12 0.00 0.00 0.00 0.00 23.12 18.90 3m43 s ALA 18 CO 0.09 -3.17 1.36 1.41 0.00 0.00 0.00 175.76 175.44 3m43 s MET 19 N 4.49 3.78 0.00 0.00 1.75 -0.26 -4.49 119.30 124.56 3m43 s MET 19 Ca 0.34 -1.87 0.23 0.00 -1.25 0.00 0.00 55.69 53.13 3m43 s MET 19 Cb -0.08 -5.14 0.46 0.00 2.84 0.00 0.00 34.83 32.92 3m43 s MET 19 CO 0.02 -1.93 1.42 -0.25 -0.65 0.00 0.00 175.02 173.63 3m43 n ASP 20 N 7.07 3.20 -4.76 1.11 10.43 -1.26 -4.51 116.55 127.82 3m43 n ASP 20 Ca 0.33 -1.96 -0.36 0.00 2.57 0.00 0.00 54.79 55.37 3m43 n ASP 20 Cb 0.47 -0.22 0.03 0.00 1.84 0.00 0.00 41.12 43.24 3m43 n ASP 20 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3m43 s LEU 21 N -1.52 3.65 0.00 0.64 1.43 -1.26 -4.81 118.68 116.81 3m43 s LEU 21 Ca 0.37 2.32 0.15 0.00 -1.03 0.00 0.00 54.13 55.95 3m43 s LEU 21 Cb 0.22 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 3m43 s LEU 21 CO 0.31 -1.55 0.80 0.23 0.23 0.00 0.00 176.35 176.37 3m43 n MET 22 N -1.63 1.77 -4.74 1.70 2.81 -1.26 -4.35 117.12 111.42 3m43 n MET 22 Ca 0.13 -0.74 -0.33 0.00 -1.81 0.00 0.00 57.70 54.95 3m43 n MET 22 Cb 0.50 -1.23 -0.12 0.00 -0.71 0.00 0.00 33.22 31.65 3m43 n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3m43 s ASN 23 N -1.81 4.37 0.20 7.83 4.22 -1.26 -4.64 114.94 123.85 3m43 s ASN 23 Ca 0.12 -0.10 -0.11 0.00 -2.14 0.00 0.00 52.86 50.63 3m43 s ASN 23 Cb 0.12 -1.06 0.15 0.00 1.28 0.00 0.00 41.25 41.74 3m43 s ASN 23 CO 0.38 0.35 1.86 -0.09 -2.04 0.00 0.00 177.10 177.56 3m43 h ARG 24 N 5.35 0.87 -0.10 3.55 2.43 -1.93 -2.15 114.38 122.39 3m43 h ARG 24 Ca -0.47 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 3m43 h ARG 24 Cb 1.17 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 3m43 h ARG 24 CO 0.52 0.58 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.98 3m43 h ASP 25 N 0.90 -0.40 -0.53 -3.80 3.32 -2.00 -1.58 116.42 112.33 3m43 h ASP 25 Ca 0.26 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 3m43 h ASP 25 Cb -0.06 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3m43 h ASP 25 CO -0.07 -0.17 0.11 0.44 -1.72 0.00 0.00 179.24 177.82 3m43 h ASP 26 N -0.17 0.83 -0.27 6.45 3.32 -1.95 -2.89 116.42 121.74 3m43 h ASP 26 Ca 0.08 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3m43 h ASP 26 Cb 0.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3m43 h ASP 26 CO -0.20 0.86 0.16 0.00 -1.72 0.00 0.00 179.24 178.34 3m43 h ALA 27 N 1.00 0.34 -0.40 3.45 0.00 -1.07 -2.76 119.26 119.81 3m43 h ALA 27 Ca 0.16 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3m43 h ALA 27 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3m43 h ALA 27 CO 0.01 -0.16 -0.24 -0.07 0.00 0.00 0.00 179.25 178.78 3m43 h LEU 28 N 0.34 0.84 0.11 0.00 3.38 -1.31 -2.67 115.31 116.00 3m43 h LEU 28 Ca 0.10 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3m43 h LEU 28 Cb 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3m43 h LEU 28 CO -0.02 1.04 -0.06 -0.09 0.09 0.00 0.00 178.44 179.41 3m43 h ARG 29 N 0.71 -0.15 -0.23 1.13 2.43 -1.40 -1.53 114.38 115.34 3m43 h ARG 29 Ca 0.09 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3m43 h ARG 29 Cb 0.77 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3m43 h ARG 29 CO 0.06 -0.07 0.09 0.28 -1.51 0.00 0.00 179.97 178.83 3m43 h VAL 30 N -0.19 1.17 -0.38 0.20 2.07 -1.49 -1.93 116.25 115.69 3m43 h VAL 30 Ca -0.02 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3m43 h VAL 30 Cb 0.15 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3m43 h VAL 30 CO 0.03 0.17 0.16 0.74 0.02 0.00 0.00 177.57 178.68 3m43 h THR 31 N 0.22 0.92 -0.49 2.57 2.02 -1.40 -2.00 112.91 114.75 3m43 h THR 31 Ca 0.08 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.20 3m43 h THR 31 Cb 0.18 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 3m43 h THR 31 CO -0.01 0.06 0.21 1.23 0.37 0.00 0.00 175.52 177.38 3m43 h GLY 32 N 0.33 0.67 2.00 2.16 0.00 -1.17 -2.10 103.07 104.97 3m43 h GLY 32 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3m43 h GLY 32 CO -0.15 0.06 -0.00 0.83 0.00 0.00 0.00 176.54 177.27 3m43 h GLU 33 N 0.41 0.00 -0.18 4.80 5.08 -0.63 -2.53 114.58 121.53 3m43 h GLU 33 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3m43 h GLU 33 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3m43 h GLU 33 CO -0.20 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.15 3m43 n VAL 34 N -3.60 0.54 0.29 3.13 0.24 -0.93 -4.37 118.33 113.63 3m43 n VAL 34 Ca -0.03 -0.77 0.14 0.00 -2.04 0.00 0.00 64.34 61.65 3m43 n VAL 34 Cb 0.09 0.83 0.87 0.00 -1.47 0.00 0.00 33.84 34.16 3m43 n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3m43 h ARG 35 N 1.98 0.00 0.00 7.34 9.65 -0.94 0.22 114.38 132.64 3m43 h ARG 35 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3m43 h ARG 35 Cb 0.59 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 3m43 h ARG 35 CO 0.00 0.03 0.00 1.49 2.80 0.00 0.00 179.97 184.29 3m43 h GLU 36 N 0.00 0.00 0.00 0.20 4.81 -1.82 -3.27 114.58 114.50 3m43 h GLU 36 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3m43 h GLU 36 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3m43 h GLU 36 CO 0.00 0.00 -1.31 0.66 -0.73 0.00 0.00 179.01 177.63 3m43 n TYR 37 N -2.51 0.00 -4.40 0.92 4.01 0.63 -5.02 117.16 110.78 3m43 n TYR 37 Ca 0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.54 3m43 n TYR 37 Cb 0.21 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 3m43 n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3m43 s ILE 38 N -2.17 0.82 -0.60 -0.72 1.01 -0.25 -4.47 121.20 114.82 3m43 s ILE 38 Ca -0.02 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3m43 s ILE 38 Cb 0.02 -0.75 0.08 0.00 0.01 0.00 0.00 42.46 41.82 3m43 s ILE 38 CO 0.20 0.26 0.83 -0.90 0.00 0.00 0.00 174.94 175.34 3m43 n ASP 39 N 3.46 1.80 -3.87 3.58 5.75 -1.26 -4.32 116.55 121.69 3m43 n ASP 39 Ca -0.20 -1.50 -0.24 0.00 -0.01 0.00 0.00 54.79 52.84 3m43 n ASP 39 Cb 0.53 -0.04 -0.17 0.00 -1.03 0.00 0.00 41.12 40.41 3m43 n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3m43 s THR 40 N -0.64 0.74 -0.06 2.12 2.01 -1.26 -0.02 115.64 118.51 3m43 s THR 40 Ca 0.08 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.98 3m43 s THR 40 Cb 0.05 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.77 3m43 s THR 40 CO 0.07 0.31 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.44 3m43 s VAL 41 N 1.58 1.55 -0.23 3.82 1.01 -0.02 -2.03 120.40 126.08 3m43 s VAL 41 Ca 0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 3m43 s VAL 41 Cb -0.13 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3m43 s VAL 41 CO -0.05 0.44 0.13 -0.75 0.00 0.00 0.00 175.10 174.87 3m43 s LYS 42 N 0.29 4.00 0.10 2.72 2.20 0.58 -1.03 119.74 128.59 3m43 s LYS 42 Ca -0.11 -0.31 0.09 0.00 -0.36 0.00 0.00 55.97 55.28 3m43 s LYS 42 Cb -0.15 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3m43 s LYS 42 CO 0.04 0.08 -0.23 0.96 -0.36 0.00 0.00 175.35 175.85 3m43 s ILE 43 N 0.96 1.92 0.15 5.43 -5.25 -0.28 -1.10 121.20 123.02 3m43 s ILE 43 Ca 0.06 -1.58 0.00 0.00 -0.99 0.00 0.00 60.65 58.15 3m43 s ILE 43 Cb -0.13 -1.71 -0.00 0.00 2.95 0.00 0.00 42.46 43.56 3m43 s ILE 43 CO 0.03 0.04 0.00 0.61 -1.79 0.00 0.00 174.94 173.84 3m43 n GLY 44 N 1.13 3.99 0.33 6.27 0.00 -1.26 -0.05 105.19 115.60 3m43 n GLY 44 Ca -0.19 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.57 3m43 n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3m43 h TYR 45 N 1.09 1.00 -0.80 1.61 0.99 -1.97 -2.81 116.97 116.09 3m43 h TYR 45 Ca -0.12 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.60 3m43 h TYR 45 Cb 0.38 -0.31 -0.06 0.00 1.00 0.00 0.00 36.73 37.75 3m43 h TYR 45 CO 0.00 0.76 0.49 -1.35 -0.00 0.00 0.00 178.16 178.06 3m43 h PRO 46 N 0.98 0.87 0.04 4.88 0.11 -1.95 0.22 132.00 137.15 3m43 h PRO 46 Ca 0.23 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 3m43 h PRO 46 Cb 0.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3m43 h PRO 46 CO -0.02 0.57 -0.02 1.25 -0.21 0.00 0.00 178.00 179.58 3m43 h LEU 47 N 0.90 -0.04 -0.84 2.35 5.85 -1.74 -2.63 115.31 119.15 3m43 h LEU 47 Ca 0.35 -0.35 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3m43 h LEU 47 Cb 0.16 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3m43 h LEU 47 CO -0.17 0.33 -0.46 -0.37 -0.34 0.00 0.00 178.44 177.44 3m43 h VAL 48 N -0.43 1.33 -0.21 1.05 -1.51 -1.22 -0.07 116.25 115.19 3m43 h VAL 48 Ca -0.01 -1.64 -0.13 0.00 -1.23 0.00 0.00 66.70 63.69 3m43 h VAL 48 Cb 0.40 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 3m43 h VAL 48 CO 0.01 0.49 -0.44 -0.07 -1.23 0.00 0.00 177.57 176.33 3m43 h LEU 49 N 0.23 0.54 -0.11 4.19 3.38 -0.65 0.26 115.31 123.15 3m43 h LEU 49 Ca 0.02 -0.25 -0.24 0.00 0.09 0.00 0.00 57.88 57.50 3m43 h LEU 49 Cb 0.90 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.50 3m43 h LEU 49 CO 0.07 0.91 -1.00 0.28 0.09 0.00 0.00 178.44 178.80 3m43 h SER 50 N 0.42 0.60 0.00 -0.43 0.02 -1.21 -3.38 113.55 109.56 3m43 h SER 50 Ca 0.03 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3m43 h SER 50 Cb 0.93 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3m43 h SER 50 CO 0.08 1.30 -0.57 -0.62 -1.14 0.00 0.00 176.83 175.88 3m43 n GLU 51 N -3.75 3.61 0.00 3.45 -0.58 -0.06 -5.05 120.64 118.27 3m43 n GLU 51 Ca -0.08 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 3m43 n GLU 51 Cb 0.86 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.83 3m43 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m43 n GLY 52 N 1.40 1.87 0.28 0.62 0.00 0.90 -4.69 105.19 105.56 3m43 n GLY 52 Ca 0.01 -1.74 0.18 0.00 0.00 0.00 0.00 46.02 44.47 3m43 n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3m43 h MET 53 N 0.00 0.00 0.00 1.61 2.86 -1.93 -2.41 114.93 115.06 3m43 h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m43 h MET 53 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3m43 h MET 53 CO 0.00 0.00 0.04 -0.44 1.06 0.00 0.00 176.91 177.57 3m43 h ASP 54 N 0.00 0.00 0.41 1.22 3.32 -1.92 -1.78 116.42 117.68 3m43 h ASP 54 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3m43 h ASP 54 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3m43 h ASP 54 CO 0.00 0.00 -0.15 -0.29 -1.72 0.00 0.00 179.24 177.08 3m43 h ILE 55 N 0.00 0.65 -0.34 0.35 2.10 -1.71 -2.55 117.51 116.02 3m43 h ILE 55 Ca 0.00 -0.65 -0.00 0.00 1.08 0.00 0.00 64.86 65.29 3m43 h ILE 55 Cb 0.08 1.41 -0.02 0.00 -1.09 0.00 0.00 36.82 37.20 3m43 h ILE 55 CO 0.00 0.15 0.20 0.40 -1.08 0.00 0.00 178.15 177.82 3m43 h ILE 56 N 0.00 1.11 -0.12 2.19 2.04 -1.56 -1.65 117.51 119.52 3m43 h ILE 56 Ca -0.00 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3m43 h ILE 56 Cb 0.40 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3m43 h ILE 56 CO 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 178.15 178.26 3m43 h ALA 57 N 1.08 1.74 -0.18 1.87 0.00 -1.55 -2.52 119.26 119.69 3m43 h ALA 57 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3m43 h ALA 57 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3m43 h ALA 57 CO -0.02 0.20 -0.29 1.49 0.00 0.00 0.00 179.25 180.63 3m43 h GLU 58 N 0.17 0.52 -0.74 0.00 4.81 -1.18 0.71 114.58 118.88 3m43 h GLU 58 Ca 0.04 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 3m43 h GLU 58 Cb 0.17 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 3m43 h GLU 58 CO 0.01 0.92 0.43 0.74 -0.73 0.00 0.00 179.01 180.38 3m43 h PHE 59 N 0.18 0.79 -0.05 0.92 -1.00 -1.04 -0.75 116.94 116.00 3m43 h PHE 59 Ca 0.02 0.03 -0.19 0.00 2.81 0.00 0.00 57.97 60.63 3m43 h PHE 59 Cb 0.88 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 40.20 3m43 h PHE 59 CO 0.09 0.39 -0.71 0.00 -1.61 0.00 0.00 178.31 176.46 3m43 h ARG 60 N 0.79 0.58 -0.03 1.51 3.08 -1.34 -1.51 114.38 117.45 3m43 h ARG 60 Ca 0.33 -0.55 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 3m43 h ARG 60 Cb 0.19 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3m43 h ARG 60 CO -0.18 1.17 -0.64 0.87 -1.07 0.00 0.00 179.97 180.12 3m43 h LYS 61 N 0.19 0.13 0.19 0.04 1.57 -0.77 0.25 116.57 118.17 3m43 h LYS 61 Ca -0.07 -0.10 -0.34 0.00 -1.87 0.00 0.00 60.65 58.27 3m43 h LYS 61 Cb 1.38 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.72 3m43 h LYS 61 CO 0.14 0.72 -1.62 0.00 -0.57 0.00 0.00 179.45 178.12 3m43 h ARG 62 N 0.10 0.39 0.00 3.15 3.08 -1.22 -3.42 114.38 116.47 3m43 h ARG 62 Ca -0.01 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.37 3m43 h ARG 62 Cb 1.14 0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3m43 h ARG 62 CO 0.09 1.30 -0.10 1.19 -1.07 0.00 0.00 179.97 181.38 3m43 n PHE 63 N -3.59 0.00 -2.99 3.04 3.01 -0.57 -5.02 117.46 111.33 3m43 n PHE 63 Ca -0.20 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.04 3m43 n PHE 63 Cb 1.07 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.57 3m43 n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m43 n GLY 64 N 1.05 -0.51 3.89 1.37 0.00 0.89 -4.98 105.19 106.90 3m43 n GLY 64 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3m43 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m43 s ARG 66 N -3.50 4.35 -0.14 0.00 3.52 0.96 -4.55 118.95 119.59 3m43 s ARG 66 Ca 0.46 1.90 0.02 0.00 -0.13 0.00 0.00 55.73 57.97 3m43 s ARG 66 Cb -0.11 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 3m43 s ARG 66 CO 0.29 -0.08 -0.19 0.42 -0.81 0.00 0.00 175.30 174.93 3m43 s ILE 67 N -1.27 2.30 -0.25 4.11 -1.09 -1.26 -0.84 121.20 122.90 3m43 s ILE 67 Ca 0.50 -0.90 -0.07 0.00 -2.23 0.00 0.00 60.65 57.96 3m43 s ILE 67 Cb -0.33 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.59 3m43 s ILE 67 CO 0.42 0.54 0.06 -0.63 -1.23 0.00 0.00 174.94 174.10 3m43 s ILE 68 N 0.79 4.22 -0.50 2.92 1.01 -0.20 -0.98 121.20 128.46 3m43 s ILE 68 Ca -0.07 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 3m43 s ILE 68 Cb -0.16 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.38 3m43 s ILE 68 CO -0.01 0.35 0.85 0.00 0.00 0.00 0.00 174.94 176.13 3m43 s ALA 69 N 1.60 3.24 -1.28 9.38 0.00 0.34 -1.12 121.76 133.92 3m43 s ALA 69 Ca 0.06 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 3m43 s ALA 69 Cb -0.15 -3.59 0.13 0.00 0.00 0.00 0.00 23.12 19.51 3m43 s ALA 69 CO 0.03 -2.13 1.72 -3.47 0.00 0.00 0.00 175.76 171.91 3m43 n ASP 70 N 7.03 4.95 -0.65 0.00 -0.08 0.93 -1.19 116.55 127.54 3m43 n ASP 70 Ca 0.02 -2.98 0.09 0.00 -1.51 0.00 0.00 54.79 50.41 3m43 n ASP 70 Cb 0.48 -1.59 0.05 0.00 2.34 0.00 0.00 41.12 42.40 3m43 n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3m43 n PHE 71 N 5.78 0.00 -4.22 -0.67 0.99 -1.25 -4.20 117.46 113.88 3m43 n PHE 71 Ca 0.42 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.50 3m43 n PHE 71 Cb 0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.84 3m43 n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3m43 n LYS 72 N 0.72 -0.76 -1.69 -1.08 5.02 -0.49 -4.74 118.16 115.14 3m43 n LYS 72 Ca 0.10 0.09 -0.44 0.00 -2.02 0.00 0.00 58.31 56.04 3m43 n LYS 72 Cb 0.45 -3.22 -0.04 0.00 -0.02 0.00 0.00 35.03 32.20 3m43 n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m43 n VAL 73 N -4.76 0.06 -2.70 -0.18 0.31 -0.93 -4.34 118.33 105.79 3m43 n VAL 73 Ca -0.25 -0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.01 3m43 n VAL 73 Cb 0.65 -1.76 0.08 0.00 -0.91 0.00 0.00 33.84 31.91 3m43 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m43 n ALA 74 N 3.96 2.37 -4.06 3.52 0.00 -1.26 -1.13 120.51 123.91 3m43 n ALA 74 Ca 0.17 -2.02 -0.06 0.00 0.00 0.00 0.00 53.44 51.53 3m43 n ALA 74 Cb 0.32 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 3m43 n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3m43 n ASP 75 N -0.58 2.14 -4.78 0.00 -0.08 -1.26 -4.96 116.55 107.02 3m43 n ASP 75 Ca -0.00 -1.40 -0.30 0.00 -1.51 0.00 0.00 54.79 51.57 3m43 n ASP 75 Cb 0.84 0.06 0.09 0.00 2.34 0.00 0.00 41.12 44.45 3m43 n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3m43 s ILE 76 N -1.23 3.26 0.19 5.18 -4.36 -1.26 -4.71 121.20 118.27 3m43 s ILE 76 Ca 0.01 0.41 -0.13 0.00 -0.26 0.00 0.00 60.65 60.67 3m43 s ILE 76 Cb -0.00 -3.06 0.15 0.00 1.25 0.00 0.00 42.46 40.80 3m43 s ILE 76 CO 0.00 -0.53 1.67 -0.65 0.24 0.00 0.00 174.94 175.67 3m43 h PRO 77 N -1.10 0.10 -0.72 0.37 0.11 -1.88 -0.25 132.00 128.63 3m43 h PRO 77 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3m43 h PRO 77 Cb 1.25 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3m43 h PRO 77 CO 0.56 0.06 0.32 1.49 -0.21 0.00 0.00 178.00 180.23 3m43 h GLU 78 N 0.10 1.06 -0.35 1.05 4.81 -1.95 -0.31 114.58 118.99 3m43 h GLU 78 Ca 0.26 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 3m43 h GLU 78 Cb 0.40 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3m43 h GLU 78 CO -0.45 0.85 -0.45 1.15 -0.73 0.00 0.00 179.01 179.38 3m43 h THR 79 N 1.03 1.27 -0.78 0.32 2.02 -1.84 -2.67 112.91 112.26 3m43 h THR 79 Ca 0.25 -1.62 0.06 0.00 0.77 0.00 0.00 66.41 65.87 3m43 h THR 79 Cb 0.16 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 3m43 h THR 79 CO -0.03 0.54 0.46 0.78 0.37 0.00 0.00 175.52 177.65 3m43 h ASN 80 N 0.74 0.71 -0.32 4.18 4.21 -0.65 -0.35 115.58 124.09 3m43 h ASN 80 Ca 0.04 0.03 0.05 0.00 1.21 0.00 0.00 56.30 57.63 3m43 h ASN 80 Cb 1.05 -0.12 -0.05 0.00 -1.12 0.00 0.00 38.32 38.08 3m43 h ASN 80 CO 0.11 0.45 0.03 -0.33 -1.29 0.00 0.00 177.43 176.39 3m43 h GLU 81 N 0.84 0.12 -0.48 0.81 5.08 -0.88 -0.76 114.58 119.31 3m43 h GLU 81 Ca 0.35 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 3m43 h GLU 81 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3m43 h GLU 81 CO -0.19 0.08 -0.14 0.87 -1.00 0.00 0.00 179.01 178.64 3m43 h LYS 82 N 0.13 0.91 -0.24 2.33 1.57 -1.06 -0.13 116.57 120.08 3m43 h LYS 82 Ca 0.16 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3m43 h LYS 82 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3m43 h LYS 82 CO -0.24 0.99 0.10 0.82 -0.57 0.00 0.00 179.45 180.55 3m43 h ILE 83 N 0.81 1.16 -0.50 1.86 2.04 -0.85 -1.15 117.51 120.88 3m43 h ILE 83 Ca 0.12 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3m43 h ILE 83 Cb 0.67 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3m43 h ILE 83 CO 0.05 0.16 0.27 0.00 0.00 0.00 0.00 178.15 178.63 3m43 h ARG 85 N 0.66 0.67 -0.65 0.00 2.43 -0.89 0.77 114.38 117.36 3m43 h ARG 85 Ca 0.17 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3m43 h ARG 85 Cb 0.05 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3m43 h ARG 85 CO -0.03 0.49 0.20 0.00 -1.51 0.00 0.00 179.97 179.12 3m43 h ALA 86 N 1.14 1.12 -0.22 2.80 0.00 -1.02 0.83 119.26 123.90 3m43 h ALA 86 Ca 0.18 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3m43 h ALA 86 Cb -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3m43 h ALA 86 CO -0.03 0.60 -0.38 1.15 0.00 0.00 0.00 179.25 180.59 3m43 h THR 87 N 0.97 1.32 -0.38 0.00 2.02 -0.75 -1.91 112.91 114.17 3m43 h THR 87 Ca 0.21 -1.59 -0.13 0.00 0.77 0.00 0.00 66.41 65.68 3m43 h THR 87 Cb 0.28 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3m43 h THR 87 CO -0.01 0.50 -0.27 -0.26 0.37 0.00 0.00 175.52 175.85 3m43 h PHE 88 N 0.35 0.92 -0.61 3.16 0.04 -0.75 -2.47 116.94 117.58 3m43 h PHE 88 Ca 0.02 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.58 3m43 h PHE 88 Cb 0.97 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 3m43 h PHE 88 CO 0.08 0.98 0.40 0.87 -0.60 0.00 0.00 178.31 180.05 3m43 h LYS 89 N 0.68 0.75 0.00 1.51 1.57 -0.70 -0.07 116.57 120.31 3m43 h LYS 89 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3m43 h LYS 89 Cb 0.80 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3m43 h LYS 89 CO 0.07 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 3m43 n ALA 90 N -2.45 1.83 0.00 3.86 0.00 -0.73 -4.88 120.51 118.14 3m43 n ALA 90 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3m43 n ALA 90 Cb 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3m43 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m43 n GLY 91 N 0.34 0.87 3.77 0.00 0.00 -0.04 -3.78 105.19 106.35 3m43 n GLY 91 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3m43 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m43 s ALA 92 N -2.00 3.63 -0.03 4.61 0.00 -0.95 -4.84 121.76 122.18 3m43 s ALA 92 Ca 0.00 1.56 0.11 0.00 0.00 0.00 0.00 51.96 53.63 3m43 s ALA 92 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 3m43 s ALA 92 CO 0.00 -1.01 1.35 -0.44 0.00 0.00 0.00 175.76 175.66 3m43 h ASP 93 N 3.73 0.00 -5.09 0.00 3.32 -1.41 -3.42 116.42 113.55 3m43 h ASP 93 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 3m43 h ASP 93 Cb 1.23 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 3m43 h ASP 93 CO 0.70 0.74 -0.12 0.00 -1.72 0.00 0.00 179.24 178.84 3m43 s ALA 94 N -2.84 -0.80 0.01 3.45 0.00 -1.01 -1.63 121.76 118.93 3m43 s ALA 94 Ca 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3m43 s ALA 94 Cb 0.09 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3m43 s ALA 94 CO 0.78 -0.63 -0.03 -1.50 0.00 0.00 0.00 175.76 174.39 3m43 s ILE 95 N -3.82 0.17 -0.19 0.00 2.07 -0.61 -0.50 121.20 118.33 3m43 s ILE 95 Ca 0.04 -0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 58.86 3m43 s ILE 95 Cb 0.02 -0.19 -0.05 0.00 0.13 0.00 0.00 42.46 42.37 3m43 s ILE 95 CO -0.11 -0.09 0.18 -0.63 -1.91 0.00 0.00 174.94 172.38 3m43 s ILE 96 N -0.40 5.38 0.01 2.00 1.01 -0.33 -0.68 121.20 128.18 3m43 s ILE 96 Ca -0.03 0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.97 3m43 s ILE 96 Cb -0.03 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 3m43 s ILE 96 CO -0.00 0.42 -0.15 0.68 0.00 0.00 0.00 174.94 175.89 3m43 s VAL 97 N 0.41 1.18 0.50 2.92 -7.23 0.01 -1.40 120.40 116.78 3m43 s VAL 97 Ca 0.11 -0.82 -0.21 0.00 -1.81 0.00 0.00 61.98 59.25 3m43 s VAL 97 Cb -0.12 -1.02 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 3m43 s VAL 97 CO -0.00 0.19 1.08 -1.00 -0.31 0.00 0.00 175.10 175.06 3m43 s HIS 98 N -0.58 2.89 -0.13 2.82 3.76 -0.28 -1.03 115.29 122.73 3m43 s HIS 98 Ca 0.04 1.57 0.22 0.00 -0.15 0.00 0.00 55.06 56.74 3m43 s HIS 98 Cb -0.07 -3.18 -0.22 0.00 1.11 0.00 0.00 32.58 30.22 3m43 s HIS 98 CO 0.00 -1.15 0.68 0.41 -0.85 0.00 0.00 174.74 173.83 3m43 n GLY 99 N 0.02 -1.15 0.34 -2.22 0.00 -1.24 -4.53 105.19 96.42 3m43 n GLY 99 Ca 0.10 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.79 3m43 n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m43 h PHE 100 N 0.00 0.45 0.00 1.61 3.57 -1.94 -0.03 116.94 120.60 3m43 h PHE 100 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3m43 h PHE 100 Cb 0.98 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3m43 h PHE 100 CO 0.00 0.23 0.00 -2.30 -2.23 0.00 0.00 178.31 174.01 3m43 n PRO 101 N -4.47 0.40 0.00 6.41 -0.02 -1.26 -4.99 135.00 131.07 3m43 n PRO 101 Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3m43 n PRO 101 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3m43 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m43 n GLY 102 N 0.28 0.71 0.27 -1.23 0.00 -0.02 -4.60 105.19 100.59 3m43 n GLY 102 Ca 0.11 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 3m43 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m43 h ALA 103 N 0.00 0.61 -0.51 4.61 0.00 -1.94 -2.66 119.26 119.37 3m43 h ALA 103 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 3m43 h ALA 103 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m43 h ALA 103 CO 0.00 0.68 0.03 0.38 0.00 0.00 0.00 179.25 180.34 3m43 h ASP 104 N 0.81 0.79 -0.41 0.00 2.03 -1.99 0.21 116.42 117.86 3m43 h ASP 104 Ca 0.08 -0.18 -0.08 0.00 -0.73 0.00 0.00 57.03 56.12 3m43 h ASP 104 Cb 0.92 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 39.19 3m43 h ASP 104 CO 0.09 0.84 -0.02 0.28 -1.03 0.00 0.00 179.24 179.40 3m43 h SER 105 N 0.78 0.79 -0.20 4.15 0.02 -1.78 -1.32 113.55 115.99 3m43 h SER 105 Ca 0.16 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 3m43 h SER 105 Cb 0.42 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3m43 h SER 105 CO 0.02 0.87 -0.34 0.58 -1.14 0.00 0.00 176.83 176.81 3m43 h VAL 106 N 0.76 1.33 -0.51 2.27 2.07 -1.10 -3.19 116.25 117.88 3m43 h VAL 106 Ca 0.14 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3m43 h VAL 106 Cb 0.48 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3m43 h VAL 106 CO 0.02 0.48 0.33 -0.09 0.02 0.00 0.00 177.57 178.34 3m43 h ARG 107 N 0.26 0.67 -0.99 1.57 2.43 -0.31 -1.11 114.38 116.90 3m43 h ARG 107 Ca 0.01 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3m43 h ARG 107 Cb 0.94 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 3m43 h ARG 107 CO 0.08 0.44 0.64 0.00 -1.51 0.00 0.00 179.97 179.62 3m43 h ALA 108 N 1.68 1.35 -0.29 2.80 0.00 -1.24 0.13 119.26 123.69 3m43 h ALA 108 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3m43 h ALA 108 Cb -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3m43 h ALA 108 CO -0.04 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.60 3m43 h LEU 110 N 0.34 0.73 -0.28 0.00 3.38 -0.52 -1.30 115.31 117.65 3m43 h LEU 110 Ca 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3m43 h LEU 110 Cb 0.58 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3m43 h LEU 110 CO 0.03 0.54 0.14 0.78 0.09 0.00 0.00 178.44 180.02 3m43 h ASN 111 N 0.85 0.37 -0.48 -0.43 2.35 -0.67 0.12 115.58 117.69 3m43 h ASN 111 Ca 0.23 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3m43 h ASN 111 Cb -0.07 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3m43 h ASN 111 CO -0.05 0.39 -0.04 0.58 -1.65 0.00 0.00 177.43 176.66 3m43 h VAL 112 N 0.32 1.27 -0.93 2.81 2.07 -1.29 -1.10 116.25 119.40 3m43 h VAL 112 Ca 0.10 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3m43 h VAL 112 Cb 0.12 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3m43 h VAL 112 CO -0.01 0.39 0.60 0.00 0.02 0.00 0.00 177.57 178.57 3m43 h ALA 113 N 0.91 1.25 -0.21 1.67 0.00 -1.06 -0.17 119.26 121.64 3m43 h ALA 113 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3m43 h ALA 113 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3m43 h ALA 113 CO 0.03 0.43 0.08 1.49 0.00 0.00 0.00 179.25 181.28 3m43 h GLU 114 N 1.13 0.32 -1.00 0.00 4.57 -0.67 0.89 114.58 119.82 3m43 h GLU 114 Ca 0.38 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.58 3m43 h GLU 114 Cb 0.06 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.53 3m43 h GLU 114 CO -0.14 0.39 0.64 0.93 -1.18 0.00 0.00 179.01 179.65 3m43 h GLU 115 N 0.18 1.10 -0.02 1.92 5.08 -0.64 -3.13 114.58 119.06 3m43 h GLU 115 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m43 h GLU 115 Cb 0.19 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3m43 h GLU 115 CO -0.00 0.73 -0.00 -1.33 -1.00 0.00 0.00 179.01 177.40 3m43 n MET 116 N -4.53 1.68 -2.68 2.33 2.81 -0.13 -4.98 117.12 111.61 3m43 n MET 116 Ca 0.16 -1.64 -0.11 0.00 -1.81 0.00 0.00 57.70 54.29 3m43 n MET 116 Cb 0.21 -1.37 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 3m43 n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m43 n GLY 117 N 1.09 0.11 2.12 3.03 0.00 0.12 -5.04 105.19 106.62 3m43 n GLY 117 Ca 0.11 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 3m43 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m43 n ARG 118 N -2.40 1.26 -4.61 1.61 5.12 -0.14 -5.04 116.66 112.46 3m43 n ARG 118 Ca -0.05 -2.16 -0.26 0.00 -1.93 0.00 0.00 57.85 53.45 3m43 n ARG 118 Cb 0.56 0.59 -0.14 0.00 -1.16 0.00 0.00 32.46 32.31 3m43 n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3m43 s GLU 119 N -3.06 1.42 -0.14 5.56 0.41 -0.65 -4.52 118.70 117.71 3m43 s GLU 119 Ca 0.00 -1.04 -0.02 0.00 -0.41 0.00 0.00 54.97 53.50 3m43 s GLU 119 Cb 0.00 -1.60 -0.02 0.00 -1.78 0.00 0.00 34.13 30.73 3m43 s GLU 119 CO 0.00 0.40 -0.09 0.08 -0.49 0.00 0.00 175.26 175.17 3m43 s VAL 120 N -0.88 3.45 -0.20 2.63 1.01 -1.26 -1.57 120.40 123.58 3m43 s VAL 120 Ca 0.09 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3m43 s VAL 120 Cb -0.09 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3m43 s VAL 120 CO 0.03 0.51 0.08 -0.36 0.00 0.00 0.00 175.10 175.36 3m43 s PHE 121 N 0.33 3.25 -0.22 5.22 0.40 0.14 -4.11 117.98 122.98 3m43 s PHE 121 Ca -0.07 0.05 -0.21 0.00 -0.60 0.00 0.00 56.93 56.09 3m43 s PHE 121 Cb -0.15 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 3m43 s PHE 121 CO 0.04 0.07 0.64 -1.17 0.70 0.00 0.00 175.22 175.51 3m43 s LEU 122 N 0.67 4.11 -0.42 -0.37 2.96 -0.12 -0.81 118.68 124.70 3m43 s LEU 122 Ca 0.04 0.81 -0.27 0.00 -0.22 0.00 0.00 54.13 54.50 3m43 s LEU 122 Cb -0.13 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.68 3m43 s LEU 122 CO 0.02 -0.32 1.00 -0.22 -1.32 0.00 0.00 176.35 175.50 3m43 s LEU 123 N 2.16 3.90 0.05 -0.68 2.96 -0.20 -0.72 118.68 126.15 3m43 s LEU 123 Ca 0.28 0.48 0.18 0.00 -0.22 0.00 0.00 54.13 54.85 3m43 s LEU 123 Cb -0.16 -3.35 -0.15 0.00 0.50 0.00 0.00 46.19 43.04 3m43 s LEU 123 CO 0.10 -1.01 0.74 0.35 -1.32 0.00 0.00 176.35 175.20 3m43 n THR 124 N 6.31 0.99 -3.49 3.68 -2.24 -0.66 -3.73 114.28 115.14 3m43 n THR 124 Ca 0.09 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 3m43 n THR 124 Cb 0.48 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 3m43 n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3m43 s GLU 125 N -3.02 0.99 0.22 -0.78 2.12 -1.26 -4.28 118.70 112.70 3m43 s GLU 125 Ca -0.04 -0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.16 3m43 s GLU 125 Cb 0.09 0.46 -0.05 0.00 0.26 0.00 0.00 34.13 34.89 3m43 s GLU 125 CO 0.82 -0.40 -0.07 -1.64 -0.54 0.00 0.00 175.26 173.43 3m43 s MET 126 N -2.69 1.33 0.00 4.30 -1.94 -1.26 -4.17 119.30 114.87 3m43 s MET 126 Ca -0.00 -1.63 0.00 0.00 -1.71 0.00 0.00 55.69 52.34 3m43 s MET 126 Cb -0.01 -0.88 0.00 0.00 2.01 0.00 0.00 34.83 35.95 3m43 s MET 126 CO -0.05 0.05 0.91 -1.13 -0.01 0.00 0.00 175.02 174.79 3m43 n SER 127 N -0.40 1.75 -4.82 3.03 3.41 -1.26 -4.81 113.62 110.52 3m43 n SER 127 Ca -0.07 -1.84 -0.31 0.00 -0.26 0.00 0.00 58.87 56.39 3m43 n SER 127 Cb 0.62 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3m43 n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3m43 s HIS 128 N -0.84 3.09 0.23 7.33 -3.43 -1.26 -4.92 115.29 115.49 3m43 s HIS 128 Ca 0.00 1.44 -0.07 0.00 -0.80 0.00 0.00 55.06 55.63 3m43 s HIS 128 Cb 0.00 -2.91 0.36 0.00 -1.43 0.00 0.00 32.58 28.60 3m43 s HIS 128 CO 0.00 -1.19 1.75 -1.35 -2.00 0.00 0.00 174.74 171.95 3m43 h PRO 129 N -0.42 0.45 0.00 -0.38 0.11 -2.06 -0.69 132.00 129.01 3m43 h PRO 129 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m43 h PRO 129 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m43 h PRO 129 CO 0.57 0.30 0.00 0.78 -0.21 0.00 0.00 178.00 179.44 3m43 h GLY 130 N 0.47 0.00 2.00 -0.55 0.00 -1.99 -2.78 103.07 100.22 3m43 h GLY 130 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3m43 h GLY 130 CO -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.20 3m43 h ALA 131 N 2.02 1.09 -0.04 3.60 0.00 -1.43 -2.20 119.26 122.30 3m43 h ALA 131 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3m43 h ALA 131 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m43 h ALA 131 CO 0.00 0.01 -0.17 1.49 0.00 0.00 0.00 179.25 180.58 3m43 h GLU 132 N 0.00 0.06 -0.17 0.00 4.22 -1.69 0.10 114.58 117.09 3m43 h GLU 132 Ca -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 3m43 h GLU 132 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3m43 h GLU 132 CO 0.00 0.23 0.06 0.52 -2.18 0.00 0.00 179.01 177.64 3m43 h MET 133 N 0.06 0.27 0.00 1.92 0.00 -1.65 -3.41 114.93 112.11 3m43 h MET 133 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.66 3m43 h MET 133 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 31.60 31.90 3m43 h MET 133 CO 0.02 0.37 -0.30 1.19 0.00 0.00 0.00 176.91 178.19 3m43 n PHE 134 N -4.83 0.00 -0.06 -0.22 3.01 -1.24 -4.89 117.46 109.23 3m43 n PHE 134 Ca -0.04 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.29 3m43 n PHE 134 Cb 0.14 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 3m43 n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3m43 h ILE 135 N 0.00 1.34 -0.66 4.37 2.04 -1.67 -3.05 117.51 119.88 3m43 h ILE 135 Ca 0.00 -1.29 0.09 0.00 1.00 0.00 0.00 64.86 64.66 3m43 h ILE 135 Cb 0.30 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 3m43 h ILE 135 CO 0.00 0.38 0.31 -0.61 0.00 0.00 0.00 178.15 178.23 3m43 h GLN 136 N 0.01 0.53 0.00 2.37 4.15 -1.05 -1.85 115.11 119.26 3m43 h GLN 136 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3m43 h GLN 136 Cb 0.67 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3m43 h GLN 136 CO 0.04 0.35 0.00 0.78 -1.93 0.00 0.00 178.83 178.06 3m43 h GLY 137 N 0.54 0.00 0.24 2.39 0.00 -1.81 -2.95 103.07 101.48 3m43 h GLY 137 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3m43 h GLY 137 CO -0.26 0.00 -1.05 0.00 0.00 0.00 0.00 176.54 175.23 3m43 n ALA 138 N -1.93 4.14 0.03 3.60 0.00 -0.76 -4.69 120.51 120.90 3m43 n ALA 138 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 3m43 n ALA 138 Cb 0.31 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 3m43 n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m43 h ALA 139 N 2.81 -0.06 -0.67 0.00 0.00 -1.20 0.57 119.26 120.71 3m43 h ALA 139 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3m43 h ALA 139 Cb 0.60 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3m43 h ALA 139 CO 0.00 -0.57 0.40 -0.44 0.00 0.00 0.00 179.25 178.65 3m43 h ASP 140 N -0.13 0.81 -0.05 0.00 3.32 -1.84 -0.47 116.42 118.05 3m43 h ASP 140 Ca 0.05 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 3m43 h ASP 140 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3m43 h ASP 140 CO -0.12 0.63 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.67 3m43 h GLU 141 N 0.91 0.50 -0.50 3.56 4.81 -1.76 -0.92 114.58 121.18 3m43 h GLU 141 Ca 0.24 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3m43 h GLU 141 Cb -0.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3m43 h GLU 141 CO -0.05 0.74 0.04 0.82 -0.73 0.00 0.00 179.01 179.84 3m43 h ILE 142 N 0.44 1.26 -0.53 2.32 2.04 -0.52 0.04 117.51 122.56 3m43 h ILE 142 Ca 0.06 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3m43 h ILE 142 Cb 0.72 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3m43 h ILE 142 CO 0.06 0.36 0.34 0.00 0.00 0.00 0.00 178.15 178.90 3m43 h ALA 143 N 0.95 0.68 -0.71 1.87 0.00 -0.77 -0.88 119.26 120.41 3m43 h ALA 143 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3m43 h ALA 143 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3m43 h ALA 143 CO 0.02 0.14 0.27 0.00 0.00 0.00 0.00 179.25 179.67 3m43 h ARG 144 N 0.72 1.06 -0.60 0.00 3.08 -1.01 -1.53 114.38 116.10 3m43 h ARG 144 Ca 0.19 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3m43 h ARG 144 Cb -0.06 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 3m43 h ARG 144 CO -0.04 0.87 0.36 1.98 -1.07 0.00 0.00 179.97 182.07 3m43 h MET 145 N 1.03 0.68 -0.33 0.04 4.05 -0.55 -1.00 114.93 118.85 3m43 h MET 145 Ca 0.24 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.66 3m43 h MET 145 Cb 0.22 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 3m43 h MET 145 CO -0.02 0.45 0.09 0.78 0.23 0.00 0.00 176.91 178.45 3m43 h GLY 146 N 0.71 0.41 0.58 1.39 0.00 -0.48 -0.91 103.07 104.75 3m43 h GLY 146 Ca 0.24 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.60 3m43 h GLY 146 CO -0.11 0.00 0.35 -2.08 0.00 0.00 0.00 176.54 174.70 3m43 h VAL 147 N 0.22 0.91 0.00 4.60 2.07 -0.89 -0.33 116.25 122.83 3m43 h VAL 147 Ca 0.15 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3m43 h VAL 147 Cb 0.15 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3m43 h VAL 147 CO -0.18 0.11 0.00 0.47 0.02 0.00 0.00 177.57 177.99 3m43 n ASP 148 N -4.84 0.00 -0.49 0.57 8.00 -0.42 -1.94 116.55 117.45 3m43 n ASP 148 Ca 0.09 -0.79 0.05 0.00 0.71 0.00 0.00 54.79 54.85 3m43 n ASP 148 Cb 0.22 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.40 3m43 n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m43 n LEU 149 N -0.96 2.27 -0.69 0.64 4.77 -0.29 -4.98 117.00 117.75 3m43 n LEU 149 Ca 0.16 -1.41 -0.09 0.00 -0.03 0.00 0.00 56.01 54.64 3m43 n LEU 149 Cb 0.07 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3m43 n LEU 149 CO 0.12 0.50 -0.09 0.61 -1.33 0.00 0.00 177.39 177.21 3m43 n GLY 150 N 0.52 1.07 3.75 -0.72 0.00 -0.82 -4.99 105.19 104.01 3m43 n GLY 150 Ca 0.08 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3m43 n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m43 s VAL 151 N -2.31 2.54 -0.42 1.61 1.01 -0.29 -4.92 120.40 117.62 3m43 s VAL 151 Ca 0.00 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.52 3m43 s VAL 151 Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 3m43 s VAL 151 CO 0.00 0.08 0.36 0.29 0.00 0.00 0.00 175.10 175.83 3m43 n LYS 152 N 2.05 4.09 -4.53 2.72 4.76 -1.26 -4.66 118.16 121.33 3m43 n LYS 152 Ca 0.06 -0.10 -0.23 0.00 -2.87 0.00 0.00 58.31 55.17 3m43 n LYS 152 Cb 0.40 -0.88 -0.16 0.00 -1.84 0.00 0.00 35.03 32.54 3m43 n LYS 152 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3m43 s ASN 153 N -1.60 1.57 0.03 4.39 0.01 -1.26 -0.22 114.94 117.87 3m43 s ASN 153 Ca 0.04 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 3m43 s ASN 153 Cb 0.06 -0.58 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 3m43 s ASN 153 CO 0.28 0.06 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.54 3m43 s TYR 154 N 0.41 0.72 -0.17 2.20 1.51 0.28 -0.95 117.35 121.36 3m43 s TYR 154 Ca -0.08 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 3m43 s TYR 154 Cb -0.12 -0.43 -0.01 0.00 -0.11 0.00 0.00 41.96 41.28 3m43 s TYR 154 CO 0.02 -0.05 -0.10 0.08 -1.11 0.00 0.00 175.55 174.39 3m43 s VAL 155 N -1.05 3.09 0.46 0.71 1.01 0.11 -1.31 120.40 123.41 3m43 s VAL 155 Ca -0.06 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3m43 s VAL 155 Cb -0.08 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 34.01 3m43 s VAL 155 CO 0.00 0.49 0.44 0.61 0.00 0.00 0.00 175.10 176.64 3m43 n GLY 156 N 4.14 2.52 3.77 4.51 0.00 -0.45 -1.65 105.19 118.03 3m43 n GLY 156 Ca -0.18 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.24 3m43 n GLY 156 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m43 s PRO 157 N -3.95 2.93 0.04 1.61 0.02 -1.26 -4.49 135.00 129.89 3m43 s PRO 157 Ca 0.34 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 62.72 3m43 s PRO 157 Cb -0.03 -1.96 -0.28 0.00 0.02 0.00 0.00 34.50 32.25 3m43 s PRO 157 CO 0.21 -1.17 1.09 1.03 -0.33 0.00 0.00 177.00 177.83 3m43 h SER 158 N 0.43 0.83 -1.49 2.53 0.87 -1.89 -3.40 113.55 111.44 3m43 h SER 158 Ca -0.48 -0.82 -0.55 0.00 -1.23 0.00 0.00 61.79 58.71 3m43 h SER 158 Cb 1.26 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.89 3m43 h SER 158 CO 0.55 1.56 -0.46 0.42 -0.53 0.00 0.00 176.83 178.37 3m43 s THR 159 N -2.99 2.33 -0.27 2.23 -4.23 -1.26 -4.75 115.64 106.70 3m43 s THR 159 Ca -0.10 -1.61 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 3m43 s THR 159 Cb 0.05 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.97 3m43 s THR 159 CO 0.92 0.00 0.30 0.54 -0.54 0.00 0.00 174.62 175.84 3m43 n ARG 160 N -1.34 -1.80 -0.20 3.99 1.74 -1.26 -4.80 116.66 112.99 3m43 n ARG 160 Ca -0.00 1.71 0.17 0.00 -0.77 0.00 0.00 57.85 58.96 3m43 n ARG 160 Cb 0.64 -4.24 0.50 0.00 -1.02 0.00 0.00 32.46 28.35 3m43 n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3m43 h PRO 161 N 1.52 0.41 0.00 5.56 0.11 -1.95 0.12 132.00 137.77 3m43 h PRO 161 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3m43 h PRO 161 Cb 0.51 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 3m43 h PRO 161 CO 0.12 0.27 -0.10 1.05 -0.21 0.00 0.00 178.00 179.13 3m43 h GLU 162 N 0.42 0.00 -0.10 1.05 9.09 -2.00 -0.15 114.58 122.89 3m43 h GLU 162 Ca 0.41 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.64 3m43 h GLU 162 Cb 0.96 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 3m43 h GLU 162 CO -0.14 0.10 -0.69 0.00 0.05 0.00 0.00 179.01 178.33 3m43 h ARG 163 N 0.00 0.43 -0.50 1.06 2.47 -1.28 -2.68 114.38 113.88 3m43 h ARG 163 Ca -0.00 -0.33 -0.07 0.00 -1.26 0.00 0.00 59.98 58.32 3m43 h ARG 163 Cb 0.38 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 3m43 h ARG 163 CO 0.01 0.96 0.02 1.25 0.56 0.00 0.00 179.97 182.77 3m43 h LEU 164 N 0.30 0.79 -0.64 3.04 5.85 -0.96 -1.21 115.31 122.49 3m43 h LEU 164 Ca -0.02 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.37 3m43 h LEU 164 Cb 1.26 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3m43 h LEU 164 CO 0.12 0.84 -0.44 0.77 -0.34 0.00 0.00 178.44 179.39 3m43 h SER 165 N 0.77 0.60 -0.41 1.25 4.64 -1.28 -0.53 113.55 118.60 3m43 h SER 165 Ca 0.15 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3m43 h SER 165 Cb 0.44 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3m43 h SER 165 CO 0.02 0.96 0.17 -0.09 -0.87 0.00 0.00 176.83 177.01 3m43 h ARG 166 N 0.45 0.60 -0.20 4.77 9.65 -1.20 -0.76 114.38 127.69 3m43 h ARG 166 Ca 0.03 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3m43 h ARG 166 Cb 0.95 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 3m43 h ARG 166 CO 0.08 0.56 0.12 1.25 2.80 0.00 0.00 179.97 184.78 3m43 h LEU 167 N 0.51 0.24 -1.30 3.80 6.46 -1.03 -1.92 115.31 122.07 3m43 h LEU 167 Ca 0.14 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 3m43 h LEU 167 Cb 0.18 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 3m43 h LEU 167 CO -0.01 0.23 0.48 -0.09 -0.62 0.00 0.00 178.44 178.42 3m43 h ARG 168 N 0.24 0.93 -0.44 1.25 9.65 -0.97 -1.01 114.38 124.02 3m43 h ARG 168 Ca 0.07 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3m43 h ARG 168 Cb 0.03 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 3m43 h ARG 168 CO -0.01 0.62 0.27 1.49 2.80 0.00 0.00 179.97 185.13 3m43 h GLU 169 N 0.96 0.60 -0.31 0.20 4.81 -0.69 -1.48 114.58 118.67 3m43 h GLU 169 Ca 0.27 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3m43 h GLU 169 Cb -0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3m43 h GLU 169 CO -0.06 0.44 -0.12 0.82 -0.73 0.00 0.00 179.01 179.36 3m43 h ILE 170 N 0.59 1.29 0.00 2.32 2.04 -0.61 -3.27 117.51 119.86 3m43 h ILE 170 Ca 0.16 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3m43 h ILE 170 Cb -0.00 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3m43 h ILE 170 CO -0.03 0.39 -0.34 2.30 0.00 0.00 0.00 178.15 180.47 3m43 n ILE 171 N -4.41 0.41 0.00 -0.67 -5.35 -0.45 -4.93 119.36 103.95 3m43 n ILE 171 Ca -0.03 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 3m43 n ILE 171 Cb 0.36 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 3m43 n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m43 n GLY 172 N 1.35 0.15 0.07 3.28 0.00 -0.56 -4.39 105.19 105.09 3m43 n GLY 172 Ca 0.04 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.36 3m43 n GLY 172 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m43 n GLN 173 N 0.35 0.19 0.03 1.61 1.13 -1.26 -4.03 117.38 115.40 3m43 n GLN 173 Ca 0.00 0.13 -0.22 0.00 -1.94 0.00 0.00 57.00 54.97 3m43 n GLN 173 Cb 0.00 -1.70 -0.14 0.00 0.11 0.00 0.00 30.24 28.51 3m43 n GLN 173 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3m43 h ASP 174 N 0.00 0.46 -3.76 1.08 3.45 -1.95 -3.48 116.42 112.22 3m43 h ASP 174 Ca 0.00 -0.90 -0.55 0.00 0.43 0.00 0.00 57.03 56.01 3m43 h ASP 174 Cb 0.67 -0.15 0.18 0.00 -0.56 0.00 0.00 39.33 39.47 3m43 h ASP 174 CO 0.00 1.74 0.07 -1.20 -1.57 0.00 0.00 179.24 178.29 3m43 n SER 175 N -3.71 0.36 -4.69 6.45 7.64 -1.26 -4.91 113.62 113.51 3m43 n SER 175 Ca -0.27 0.65 -0.39 0.00 1.01 0.00 0.00 58.87 59.87 3m43 n SER 175 Cb 0.99 -1.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 3m43 n SER 175 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3m43 s PHE 176 N -1.86 3.45 -0.08 1.43 5.36 0.69 -4.97 117.98 122.00 3m43 s PHE 176 Ca 0.72 0.90 0.02 0.00 -0.96 0.00 0.00 56.93 57.62 3m43 s PHE 176 Cb -0.34 -2.67 0.01 0.00 -0.34 0.00 0.00 43.02 39.69 3m43 s PHE 176 CO 0.51 0.01 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.96 3m43 s LEU 177 N 1.22 1.72 0.11 6.12 2.96 -1.26 -0.55 118.68 128.99 3m43 s LEU 177 Ca 0.27 -0.36 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 3m43 s LEU 177 Cb -0.16 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 3m43 s LEU 177 CO 0.11 0.05 -0.25 0.27 -1.32 0.00 0.00 176.35 175.20 3m43 s ILE 178 N 0.68 2.10 -0.03 6.68 -4.36 -0.43 0.17 121.20 126.01 3m43 s ILE 178 Ca -0.14 -1.65 -0.14 0.00 -0.26 0.00 0.00 60.65 58.47 3m43 s ILE 178 Cb -0.16 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.71 3m43 s ILE 178 CO 0.04 0.09 0.30 -0.55 0.24 0.00 0.00 174.94 175.06 3m43 s SER 179 N -1.90 -0.21 -0.46 4.36 0.15 -0.98 -1.34 113.70 113.32 3m43 s SER 179 Ca 0.12 0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 3m43 s SER 179 Cb -0.10 0.37 -0.15 0.00 -1.71 0.00 0.00 66.02 64.43 3m43 s SER 179 CO 0.05 -0.39 3.27 -2.65 1.20 0.00 0.00 173.24 174.72 3m43 n PRO 180 N 1.56 2.55 0.00 5.44 -0.02 -1.26 -0.55 135.00 142.71 3m43 n PRO 180 Ca -0.20 -1.63 0.00 0.00 -2.02 0.00 0.00 63.50 59.65 3m43 n PRO 180 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3m43 n PRO 180 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3m43 n THR 192 N 2.34 0.00 1.89 3.45 -1.04 -1.26 -4.64 114.28 115.02 3m43 n THR 192 Ca 0.52 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.63 3m43 n THR 192 Cb 0.68 0.00 0.60 0.00 -1.82 0.00 0.00 70.33 69.80 3m43 n THR 192 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3m43 n LEU 193 N 0.00 0.00 0.18 -4.42 4.77 -1.26 -0.89 117.00 115.37 3m43 n LEU 193 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3m43 n LEU 193 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 3m43 n LEU 193 CO 0.00 0.00 0.62 0.03 -1.33 0.00 0.00 177.39 176.71 3m43 h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -2.02 -3.40 114.38 115.27 3m43 h ARG 194 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3m43 h ARG 194 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3m43 h ARG 194 CO 0.00 0.40 -1.20 1.19 -1.07 0.00 0.00 179.97 179.29 3m43 n PHE 195 N -3.39 0.00 -3.09 3.04 3.01 -0.87 -5.04 117.46 111.13 3m43 n PHE 195 Ca 0.01 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.14 3m43 n PHE 195 Cb 0.58 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.86 3m43 n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m43 s ALA 196 N -2.07 3.29 -0.03 4.37 0.00 -0.07 -4.87 121.76 122.38 3m43 s ALA 196 Ca -0.05 0.11 0.12 0.00 0.00 0.00 0.00 51.96 52.14 3m43 s ALA 196 Cb 0.01 -2.83 -0.11 0.00 0.00 0.00 0.00 23.12 20.19 3m43 s ALA 196 CO 0.07 0.30 1.20 -0.44 0.00 0.00 0.00 175.76 176.90 3m43 h ASP 197 N 2.32 0.00 -4.88 0.00 3.32 -0.59 -3.39 116.42 113.20 3m43 h ASP 197 Ca -0.48 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 3m43 h ASP 197 Cb 1.18 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.52 3m43 h ASP 197 CO 0.65 0.77 -0.41 0.00 -1.72 0.00 0.00 179.24 178.53 3m43 s ALA 198 N -2.81 -0.51 -0.09 3.45 0.00 -1.14 -4.75 121.76 115.90 3m43 s ALA 198 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 3m43 s ALA 198 Cb 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3m43 s ALA 198 CO 0.79 -0.22 0.04 0.00 0.00 0.00 0.00 175.76 176.38 3m43 s ALA 199 N -1.24 3.46 -0.19 0.00 0.00 -0.10 -2.33 121.76 121.37 3m43 s ALA 199 Ca -0.13 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 3m43 s ALA 199 Cb -0.06 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 3m43 s ALA 199 CO 0.02 0.60 0.28 0.42 0.00 0.00 0.00 175.76 177.09 3m43 s ILE 200 N -0.93 5.29 -0.03 0.00 1.01 0.28 -0.42 121.20 126.40 3m43 s ILE 200 Ca 0.14 0.49 0.03 0.00 0.00 0.00 0.00 60.65 61.32 3m43 s ILE 200 Cb -0.12 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 3m43 s ILE 200 CO 0.03 0.34 -0.13 -0.69 0.00 0.00 0.00 174.94 174.49 3m43 s VAL 201 N 0.84 1.07 0.00 2.92 1.01 0.00 -4.46 120.40 121.79 3m43 s VAL 201 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3m43 s VAL 201 Cb -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3m43 s VAL 201 CO 0.05 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3m43 n GLY 202 N 3.14 0.79 0.36 4.51 0.00 -1.26 -0.40 105.19 112.33 3m43 n GLY 202 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 3m43 n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3m43 h ARG 203 N 0.00 0.68 -0.13 1.61 3.08 -1.96 0.89 114.38 118.56 3m43 h ARG 203 Ca 0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3m43 h ARG 203 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3m43 h ARG 203 CO 0.00 0.45 0.25 0.77 -1.07 0.00 0.00 179.97 180.37 3m43 h SER 204 N 0.70 0.00 0.00 7.04 0.02 -1.98 -1.54 113.55 117.79 3m43 h SER 204 Ca 0.58 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.33 3m43 h SER 204 Cb 0.98 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 3m43 h SER 204 CO -0.37 0.00 -1.54 -0.38 -1.14 0.00 0.00 176.83 173.40 3m43 n ILE 205 N -3.38 1.24 1.13 3.27 5.41 0.22 -4.37 119.36 122.87 3m43 n ILE 205 Ca 0.01 -0.07 0.13 0.00 1.00 0.00 0.00 62.75 63.82 3m43 n ILE 205 Cb 0.34 -1.93 0.64 0.00 -0.71 0.00 0.00 39.64 37.99 3m43 n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3m43 n TYR 206 N -4.02 0.00 0.15 1.39 0.18 -0.67 -2.84 117.16 111.35 3m43 n TYR 206 Ca -0.27 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.59 3m43 n TYR 206 Cb 0.61 -0.40 -0.13 0.00 -0.38 0.00 0.00 39.34 39.04 3m43 n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3m43 n LEU 207 N -1.40 0.16 -4.70 -3.48 4.77 -0.59 -5.00 117.00 106.76 3m43 n LEU 207 Ca 0.10 -0.10 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3m43 n LEU 207 Cb 0.27 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3m43 n LEU 207 CO 0.24 0.04 0.81 0.00 -1.33 0.00 0.00 177.39 177.15 3m43 n ALA 208 N -1.97 0.73 0.21 -1.18 0.00 -1.13 -4.90 120.51 112.27 3m43 n ALA 208 Ca -0.02 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.40 3m43 n ALA 208 Cb 0.42 -2.27 0.46 0.00 0.00 0.00 0.00 19.45 18.05 3m43 n ALA 208 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3m43 h ASP 209 N 0.19 0.00 -2.86 0.00 3.58 -1.95 -3.34 116.42 112.05 3m43 h ASP 209 Ca -0.50 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.35 3m43 h ASP 209 Cb 1.33 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.99 3m43 h ASP 209 CO 0.51 0.29 -0.77 0.21 -2.88 0.00 0.00 179.24 176.60 3m43 s ASN 210 N -6.67 3.17 0.27 2.28 3.84 -1.26 -4.99 114.94 111.58 3m43 s ASN 210 Ca -0.02 -3.28 -0.01 0.00 0.21 0.00 0.00 52.86 49.76 3m43 s ASN 210 Cb 0.14 -1.01 0.60 0.00 -0.55 0.00 0.00 41.25 40.43 3m43 s ASN 210 CO 0.68 -0.16 1.67 -0.65 -2.79 0.00 0.00 177.10 175.86 3m43 h PRO 211 N 5.76 0.26 -0.40 0.43 0.11 -1.73 -0.31 132.00 136.12 3m43 h PRO 211 Ca 0.17 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.32 3m43 h PRO 211 Cb 0.85 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.85 3m43 h PRO 211 CO 0.52 0.17 0.08 0.00 -0.21 0.00 0.00 178.00 178.56 3m43 h ALA 212 N 1.70 0.43 -0.65 -0.75 0.00 -1.90 -1.29 119.26 116.79 3m43 h ALA 212 Ca 0.49 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 3m43 h ALA 212 Cb 0.92 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3m43 h ALA 212 CO -0.57 -0.33 0.06 0.00 0.00 0.00 0.00 179.25 178.41 3m43 h ALA 213 N 1.30 0.88 -0.22 0.00 0.00 -1.47 -2.00 119.26 117.76 3m43 h ALA 213 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3m43 h ALA 213 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3m43 h ALA 213 CO -0.25 0.67 0.12 0.00 0.00 0.00 0.00 179.25 179.79 3m43 h ALA 214 N 1.04 0.28 -0.29 0.00 0.00 -0.74 -0.45 119.26 119.09 3m43 h ALA 214 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3m43 h ALA 214 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3m43 h ALA 214 CO 0.02 -0.20 0.18 0.00 0.00 0.00 0.00 179.25 179.24 3m43 h ALA 215 N 1.02 0.36 -0.45 0.00 0.00 -1.18 -1.04 119.26 117.96 3m43 h ALA 215 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3m43 h ALA 215 Cb 0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3m43 h ALA 215 CO -0.01 -0.19 0.18 0.00 0.00 0.00 0.00 179.25 179.22 3m43 h ALA 216 N 1.12 0.55 -0.45 0.00 0.00 -1.13 -1.09 119.26 118.27 3m43 h ALA 216 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3m43 h ALA 216 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3m43 h ALA 216 CO -0.04 -0.21 0.22 0.78 0.00 0.00 0.00 179.25 180.01 3m43 h GLY 217 N 0.36 0.68 1.00 0.00 0.00 -0.76 -1.64 103.07 102.71 3m43 h GLY 217 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3m43 h GLY 217 CO -0.20 0.31 0.38 -2.22 0.00 0.00 0.00 176.54 174.81 3m43 h ILE 218 N 0.58 1.20 -0.35 2.60 2.04 -0.89 -2.27 117.51 120.42 3m43 h ILE 218 Ca 0.15 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3m43 h ILE 218 Cb 0.10 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3m43 h ILE 218 CO -0.02 0.21 0.12 0.40 0.00 0.00 0.00 178.15 178.86 3m43 h ILE 219 N 0.90 1.15 0.48 -0.67 2.04 -0.94 -1.96 117.51 118.52 3m43 h ILE 219 Ca 0.23 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3m43 h ILE 219 Cb 0.00 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3m43 h ILE 219 CO -0.04 0.18 -0.36 -0.33 0.00 0.00 0.00 178.15 177.59 3m43 h GLU 220 N 0.49 -0.80 -0.68 2.37 4.39 -0.70 -2.63 114.58 117.02 3m43 h GLU 220 Ca 0.12 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.89 3m43 h GLU 220 Cb 0.13 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 3m43 h GLU 220 CO -0.01 -0.53 0.45 0.66 -1.16 0.00 0.00 179.01 178.42 3m43 h SER 221 N -0.83 0.77 0.00 1.42 4.64 -1.37 -3.52 113.55 114.66 3m43 h SER 221 Ca -0.05 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3m43 h SER 221 Cb 0.71 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3m43 h SER 221 CO 0.01 0.55 0.00 -0.38 -0.87 0.00 0.00 176.83 176.14