#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m44 h VAL 6 N 0.00 1.12 0.00 1.55 3.04 -1.98 -3.04 116.25 116.95 3m44 h VAL 6 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 3m44 h VAL 6 Cb 0.00 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 3m44 h VAL 6 CO 0.00 0.12 -0.18 -0.90 -1.01 0.00 0.00 177.57 175.60 3m44 n ASP 7 N -4.45 0.26 -4.82 3.17 5.75 -1.26 -4.82 116.55 110.38 3m44 n ASP 7 Ca 0.04 0.26 -0.22 0.00 -0.01 0.00 0.00 54.79 54.87 3m44 n ASP 7 Cb 0.07 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 39.85 3m44 n ASP 7 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3m44 s VAL 8 N -3.02 3.45 0.51 2.12 -7.23 -1.15 -5.08 120.40 110.01 3m44 s VAL 8 Ca 0.12 -1.46 -0.22 0.00 -1.81 0.00 0.00 61.98 58.61 3m44 s VAL 8 Cb 0.18 -3.14 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 3m44 s VAL 8 CO 0.60 -0.19 1.32 0.00 -0.31 0.00 0.00 175.10 176.52 3m44 s MET 9 N -3.95 3.35 -0.28 4.82 0.23 -1.26 -4.88 119.30 117.33 3m44 s MET 9 Ca 0.40 2.14 -0.16 0.00 -1.03 0.00 0.00 55.69 57.04 3m44 s MET 9 Cb -0.05 -2.34 -0.03 0.00 -1.53 0.00 0.00 34.83 30.88 3m44 s MET 9 CO 0.25 -0.99 0.41 -0.51 -2.03 0.00 0.00 175.02 172.16 3m44 s ASP 10 N -1.01 6.30 -0.24 -1.18 1.01 -1.26 -5.01 116.67 115.28 3m44 s ASP 10 Ca 0.68 0.30 -0.10 0.00 0.71 0.00 0.00 52.55 54.15 3m44 s ASP 10 Cb -0.38 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3m44 s ASP 10 CO 0.45 -0.23 0.14 -0.69 0.21 0.00 0.00 175.17 175.05 3m44 s VAL 11 N 2.15 5.07 0.19 -1.27 1.01 -1.26 -5.03 120.40 121.26 3m44 s VAL 11 Ca 0.17 0.08 -0.32 0.00 0.00 0.00 0.00 61.98 61.91 3m44 s VAL 11 Cb -0.16 -3.37 -0.12 0.00 0.00 0.00 0.00 36.38 32.74 3m44 s VAL 11 CO 0.10 0.34 1.71 -0.32 0.00 0.00 0.00 175.10 176.93 3m44 s MET 12 N 1.24 4.14 -0.87 2.72 1.75 -1.26 -1.68 119.30 125.33 3m44 s MET 12 Ca 0.06 2.58 0.00 0.00 -1.25 0.00 0.00 55.69 57.08 3m44 s MET 12 Cb -0.14 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.39 3m44 s MET 12 CO 0.05 -0.74 0.00 0.09 -0.65 0.00 0.00 175.02 173.77 3m44 n ASN 13 N 4.15 -5.08 -2.20 1.11 3.02 -1.26 -2.91 115.26 112.09 3m44 n ASN 13 Ca 0.16 0.20 -0.19 0.00 -0.03 0.00 0.00 54.58 54.73 3m44 n ASN 13 Cb 0.36 -3.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.83 3m44 n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3m44 n ARG 14 N -0.51 -1.73 -3.85 3.52 1.74 -0.68 -4.95 116.66 110.21 3m44 n ARG 14 Ca -0.08 0.95 -0.26 0.00 -0.77 0.00 0.00 57.85 57.68 3m44 n ARG 14 Cb 0.51 -5.53 -0.17 0.00 -1.02 0.00 0.00 32.46 26.26 3m44 n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3m44 s LEU 15 N -5.57 1.20 -0.17 0.55 2.96 -1.15 -1.17 118.68 115.34 3m44 s LEU 15 Ca 0.00 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 3m44 s LEU 15 Cb 0.00 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 3m44 s LEU 15 CO 0.00 -0.18 0.10 -0.63 -1.32 0.00 0.00 176.35 174.32 3m44 s ILE 16 N 1.76 5.14 -0.23 6.68 1.01 0.72 -4.63 121.20 131.66 3m44 s ILE 16 Ca 0.03 0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 3m44 s ILE 16 Cb -0.14 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 3m44 s ILE 16 CO -0.07 0.50 0.78 -0.22 0.00 0.00 0.00 174.94 175.93 3m44 s LEU 17 N -0.08 4.10 -0.66 2.97 2.96 -0.83 -0.84 118.68 126.30 3m44 s LEU 17 Ca 0.09 0.99 -0.24 0.00 -0.22 0.00 0.00 54.13 54.75 3m44 s LEU 17 Cb -0.12 -3.11 0.06 0.00 0.50 0.00 0.00 46.19 43.52 3m44 s LEU 17 CO 0.00 -0.45 1.02 0.00 -1.32 0.00 0.00 176.35 175.61 3m44 s ALA 18 N 2.59 3.05 -1.05 5.97 0.00 0.04 -0.12 121.76 132.23 3m44 s ALA 18 Ca 0.33 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 3m44 s ALA 18 Cb -0.16 -3.92 0.17 0.00 0.00 0.00 0.00 23.12 19.21 3m44 s ALA 18 CO 0.09 -2.83 1.22 1.41 0.00 0.00 0.00 175.76 175.65 3m44 s MET 19 N 4.38 3.86 0.00 0.00 1.75 -0.10 -4.47 119.30 124.72 3m44 s MET 19 Ca 0.26 -2.28 0.23 0.00 -1.25 0.00 0.00 55.69 52.64 3m44 s MET 19 Cb -0.15 -4.91 0.44 0.00 2.84 0.00 0.00 34.83 33.05 3m44 s MET 19 CO 0.12 -1.69 1.41 -0.25 -0.65 0.00 0.00 175.02 173.96 3m44 n ASP 20 N 5.64 3.18 -4.76 1.11 10.43 -1.26 -4.44 116.55 126.46 3m44 n ASP 20 Ca 0.28 -1.96 -0.36 0.00 2.57 0.00 0.00 54.79 55.32 3m44 n ASP 20 Cb 0.45 -0.20 0.03 0.00 1.84 0.00 0.00 41.12 43.25 3m44 n ASP 20 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3m44 s LEU 21 N -1.58 3.72 0.00 0.64 1.43 -1.26 -4.77 118.68 116.86 3m44 s LEU 21 Ca 0.37 2.41 0.17 0.00 -1.03 0.00 0.00 54.13 56.05 3m44 s LEU 21 Cb 0.22 -4.53 -0.15 0.00 0.03 0.00 0.00 46.19 41.76 3m44 s LEU 21 CO 0.31 -1.51 0.75 0.23 0.23 0.00 0.00 176.35 176.37 3m44 n MET 22 N -1.40 1.44 -4.34 1.70 2.81 -1.26 -4.26 117.12 111.81 3m44 n MET 22 Ca 0.13 -0.15 -0.35 0.00 -1.81 0.00 0.00 57.70 55.52 3m44 n MET 22 Cb 0.49 -1.30 -0.10 0.00 -0.71 0.00 0.00 33.22 31.60 3m44 n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3m44 s ASN 23 N -2.50 5.19 0.22 7.83 4.22 -1.26 -4.63 114.94 124.01 3m44 s ASN 23 Ca 0.08 0.08 -0.09 0.00 -2.14 0.00 0.00 52.86 50.79 3m44 s ASN 23 Cb 0.13 -1.59 0.20 0.00 1.28 0.00 0.00 41.25 41.27 3m44 s ASN 23 CO 0.65 0.31 1.88 -0.09 -2.04 0.00 0.00 177.10 177.81 3m44 h ARG 24 N 5.66 1.02 0.06 3.55 2.43 -1.94 -1.80 114.38 123.36 3m44 h ARG 24 Ca -0.45 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3m44 h ARG 24 Cb 1.19 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3m44 h ARG 24 CO 0.58 0.67 -0.12 -0.44 -1.51 0.00 0.00 179.97 179.15 3m44 h ASP 25 N 1.05 -0.34 -0.71 -3.80 3.45 -2.00 -0.81 116.42 113.26 3m44 h ASP 25 Ca 0.30 0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.76 3m44 h ASP 25 Cb -0.07 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 3m44 h ASP 25 CO -0.08 -0.18 0.27 0.44 -1.57 0.00 0.00 179.24 178.12 3m44 h ASP 26 N -0.24 0.99 -0.22 6.45 3.32 -1.95 -2.33 116.42 122.44 3m44 h ASP 26 Ca 0.02 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3m44 h ASP 26 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3m44 h ASP 26 CO -0.08 0.90 0.09 0.00 -1.72 0.00 0.00 179.24 178.43 3m44 h ALA 27 N 1.13 0.28 -0.79 3.45 0.00 -1.10 -2.60 119.26 119.63 3m44 h ALA 27 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3m44 h ALA 27 Cb 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3m44 h ALA 27 CO -0.02 -0.13 0.36 -0.07 0.00 0.00 0.00 179.25 179.40 3m44 h LEU 28 N 0.20 1.04 -0.81 0.00 3.38 -1.09 -2.48 115.31 115.55 3m44 h LEU 28 Ca 0.07 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3m44 h LEU 28 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3m44 h LEU 28 CO -0.01 0.89 0.22 -0.09 0.09 0.00 0.00 178.44 179.54 3m44 h ARG 29 N 1.13 1.11 -0.07 1.13 2.43 -1.25 -2.29 114.38 116.57 3m44 h ARG 29 Ca 0.27 -0.24 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 3m44 h ARG 29 Cb 0.14 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3m44 h ARG 29 CO -0.03 0.95 -0.66 0.28 -1.51 0.00 0.00 179.97 179.00 3m44 h VAL 30 N 1.06 1.35 -0.36 0.20 2.07 -1.29 -3.05 116.25 116.23 3m44 h VAL 30 Ca 0.23 -1.98 -0.07 0.00 0.82 0.00 0.00 66.70 65.70 3m44 h VAL 30 Cb 0.30 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3m44 h VAL 30 CO -0.01 0.60 -0.05 0.74 0.02 0.00 0.00 177.57 178.87 3m44 h THR 31 N 0.17 1.27 -0.86 2.57 2.02 -1.39 -2.70 112.91 113.99 3m44 h THR 31 Ca -0.06 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.04 3m44 h THR 31 Cb 1.32 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 3m44 h THR 31 CO 0.13 0.36 0.57 1.23 0.37 0.00 0.00 175.52 178.18 3m44 h GLY 32 N 0.47 1.21 2.00 2.16 0.00 -1.52 -2.29 103.07 105.11 3m44 h GLY 32 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3m44 h GLY 32 CO 0.03 0.43 0.00 0.83 0.00 0.00 0.00 176.54 177.83 3m44 h GLU 33 N 1.15 0.00 -0.17 4.80 5.08 -1.37 -3.00 114.58 121.08 3m44 h GLU 33 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3m44 h GLU 33 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3m44 h GLU 33 CO -0.07 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.27 3m44 n VAL 34 N -2.99 0.56 0.33 3.13 0.24 -0.94 -4.40 118.33 114.26 3m44 n VAL 34 Ca 0.00 -0.78 0.21 0.00 -2.04 0.00 0.00 64.34 61.73 3m44 n VAL 34 Cb 0.26 0.80 1.11 0.00 -1.47 0.00 0.00 33.84 34.55 3m44 n VAL 34 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3m44 h ARG 35 N 1.74 0.00 0.00 7.34 9.65 -1.28 0.19 114.38 132.02 3m44 h ARG 35 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3m44 h ARG 35 Cb 0.56 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 3m44 h ARG 35 CO 0.00 0.00 -0.17 1.49 2.80 0.00 0.00 179.97 184.10 3m44 h GLU 36 N 0.00 0.00 0.00 0.20 4.81 -1.82 -3.32 114.58 114.45 3m44 h GLU 36 Ca -0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 3m44 h GLU 36 Cb 0.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3m44 h GLU 36 CO 0.00 0.17 -1.62 0.66 -0.73 0.00 0.00 179.01 177.49 3m44 n TYR 37 N -3.36 0.00 -5.09 0.92 4.01 0.43 -5.00 117.16 109.07 3m44 n TYR 37 Ca -0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 3m44 n TYR 37 Cb 0.38 -0.44 -0.16 0.00 -0.31 0.00 0.00 39.34 38.81 3m44 n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3m44 s ILE 38 N -2.22 1.79 -0.45 -0.72 1.01 0.13 -4.44 121.20 116.29 3m44 s ILE 38 Ca -0.07 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.70 3m44 s ILE 38 Cb 0.03 -1.51 0.07 0.00 0.01 0.00 0.00 42.46 41.06 3m44 s ILE 38 CO 0.34 0.50 0.86 -0.90 0.00 0.00 0.00 174.94 175.74 3m44 n ASP 39 N 2.95 1.83 -3.85 3.58 5.75 -1.26 -4.32 116.55 121.24 3m44 n ASP 39 Ca -0.17 -1.57 -0.25 0.00 -0.01 0.00 0.00 54.79 52.79 3m44 n ASP 39 Cb 0.52 -0.04 -0.17 0.00 -1.03 0.00 0.00 41.12 40.40 3m44 n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3m44 s THR 40 N -0.66 0.72 -0.07 2.12 2.01 -1.26 -0.26 115.64 118.23 3m44 s THR 40 Ca 0.07 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.01 3m44 s THR 40 Cb 0.04 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.75 3m44 s THR 40 CO 0.06 0.31 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.39 3m44 s VAL 41 N 1.77 1.89 -0.23 3.82 1.01 0.05 -1.96 120.40 126.74 3m44 s VAL 41 Ca 0.04 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 3m44 s VAL 41 Cb -0.13 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3m44 s VAL 41 CO -0.06 0.52 0.15 -0.75 0.00 0.00 0.00 175.10 174.96 3m44 s LYS 42 N 0.16 4.07 -0.00 2.72 2.20 0.83 -1.13 119.74 128.58 3m44 s LYS 42 Ca -0.11 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 55.30 3m44 s LYS 42 Cb -0.15 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3m44 s LYS 42 CO 0.06 0.09 -0.24 0.42 -0.36 0.00 0.00 175.35 175.32 3m44 s ILE 43 N 0.97 2.26 0.24 5.43 -1.09 -0.35 -0.93 121.20 127.73 3m44 s ILE 43 Ca 0.07 -1.13 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 3m44 s ILE 43 Cb -0.13 -1.83 -0.00 0.00 -1.58 0.00 0.00 42.46 38.92 3m44 s ILE 43 CO 0.04 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3m44 n GLY 44 N 2.20 3.88 0.25 6.18 0.00 -1.26 0.23 105.19 116.66 3m44 n GLY 44 Ca -0.16 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.59 3m44 n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3m44 h TYR 45 N 1.14 0.37 -0.56 1.61 0.99 -1.97 -2.67 116.97 115.88 3m44 h TYR 45 Ca -0.20 -0.05 0.09 0.00 2.00 0.00 0.00 58.73 60.57 3m44 h TYR 45 Cb 0.61 -0.10 -0.07 0.00 1.00 0.00 0.00 36.73 38.17 3m44 h TYR 45 CO 0.00 0.47 0.18 -1.35 -0.00 0.00 0.00 178.16 177.46 3m44 h PRO 46 N 0.33 0.34 -0.02 4.88 0.11 -1.94 0.17 132.00 135.86 3m44 h PRO 46 Ca 0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3m44 h PRO 46 Cb 0.43 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3m44 h PRO 46 CO 0.02 0.22 -0.04 1.25 -0.21 0.00 0.00 178.00 179.24 3m44 h LEU 47 N 0.35 0.08 -0.75 2.35 5.85 -1.72 -2.87 115.31 118.61 3m44 h LEU 47 Ca 0.28 -0.56 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 3m44 h LEU 47 Cb 0.36 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3m44 h LEU 47 CO -0.31 0.62 -0.51 -0.37 -0.34 0.00 0.00 178.44 177.53 3m44 h VAL 48 N -0.46 1.35 -0.12 1.05 -1.51 -1.21 -0.28 116.25 115.07 3m44 h VAL 48 Ca 0.00 -1.77 -0.12 0.00 -1.23 0.00 0.00 66.70 63.59 3m44 h VAL 48 Cb 0.61 1.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 3m44 h VAL 48 CO 0.01 0.53 -0.45 -0.07 -1.23 0.00 0.00 177.57 176.36 3m44 h LEU 49 N 0.23 0.30 -0.02 4.19 3.38 -0.77 0.19 115.31 122.80 3m44 h LEU 49 Ca 0.01 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.58 3m44 h LEU 49 Cb 0.98 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.67 3m44 h LEU 49 CO 0.08 0.71 -1.08 0.28 0.09 0.00 0.00 178.44 178.52 3m44 h SER 50 N 0.23 0.74 0.00 -0.43 0.02 -1.23 -3.39 113.55 109.49 3m44 h SER 50 Ca 0.02 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 3m44 h SER 50 Cb 0.88 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3m44 h SER 50 CO 0.07 1.44 -0.30 -0.62 -1.14 0.00 0.00 176.83 176.27 3m44 n GLU 51 N -3.78 4.98 0.00 3.45 -0.58 -0.15 -5.05 120.64 119.52 3m44 n GLU 51 Ca -0.10 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3m44 n GLU 51 Cb 0.91 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 3m44 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m44 n GLY 52 N 1.19 2.21 0.26 0.62 0.00 0.65 -4.69 105.19 105.42 3m44 n GLY 52 Ca 0.01 -1.75 0.17 0.00 0.00 0.00 0.00 46.02 44.45 3m44 n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3m44 h MET 53 N 0.00 0.00 -0.06 1.61 2.86 -1.94 -2.46 114.93 114.94 3m44 h MET 53 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3m44 h MET 53 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3m44 h MET 53 CO 0.00 0.00 0.13 -0.44 1.06 0.00 0.00 176.91 177.66 3m44 h ASP 54 N 0.00 0.00 0.13 1.22 3.32 -1.92 -2.21 116.42 116.96 3m44 h ASP 54 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3m44 h ASP 54 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3m44 h ASP 54 CO 0.00 0.00 -0.05 -0.29 -1.72 0.00 0.00 179.24 177.18 3m44 h ILE 55 N 0.00 0.58 0.00 0.35 2.10 -1.72 -2.53 117.51 116.30 3m44 h ILE 55 Ca 0.03 -0.20 -0.00 0.00 1.08 0.00 0.00 64.86 65.77 3m44 h ILE 55 Cb 0.29 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 3m44 h ILE 55 CO -0.00 0.05 -0.00 0.40 -1.08 0.00 0.00 178.15 177.51 3m44 h ILE 56 N 0.00 1.10 -0.34 2.19 2.04 -1.64 -1.36 117.51 119.50 3m44 h ILE 56 Ca -0.00 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 3m44 h ILE 56 Cb 0.12 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3m44 h ILE 56 CO 0.01 0.08 0.02 0.00 0.00 0.00 0.00 178.15 178.26 3m44 h ALA 57 N 0.85 1.40 -0.61 1.87 0.00 -1.55 -2.32 119.26 118.90 3m44 h ALA 57 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3m44 h ALA 57 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3m44 h ALA 57 CO 0.00 0.42 0.23 1.49 0.00 0.00 0.00 179.25 181.39 3m44 h GLU 58 N 0.50 0.92 -0.38 0.00 4.81 -1.15 0.12 114.58 119.42 3m44 h GLU 58 Ca 0.11 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3m44 h GLU 58 Cb 0.30 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3m44 h GLU 58 CO 0.01 0.80 0.21 0.74 -0.73 0.00 0.00 179.01 180.03 3m44 h PHE 59 N 0.86 0.52 -0.50 0.92 -1.00 -0.91 -0.69 116.94 116.13 3m44 h PHE 59 Ca 0.20 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.87 3m44 h PHE 59 Cb 0.23 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3m44 h PHE 59 CO 0.01 0.40 -0.08 0.00 -1.61 0.00 0.00 178.31 177.03 3m44 h ARG 60 N 0.48 0.94 0.00 1.51 3.08 -1.12 -0.71 114.38 118.56 3m44 h ARG 60 Ca 0.13 -0.34 -0.13 0.00 0.07 0.00 0.00 59.98 59.71 3m44 h ARG 60 Cb 0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3m44 h ARG 60 CO -0.02 1.00 -0.62 -0.22 -1.07 0.00 0.00 179.97 179.03 3m44 h LYS 61 N 0.80 0.00 0.02 0.04 3.64 -0.67 0.24 116.57 120.64 3m44 h LYS 61 Ca 0.13 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.22 3m44 h LYS 61 Cb 0.63 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 3m44 h LYS 61 CO 0.04 0.62 -1.66 0.00 -2.27 0.00 0.00 179.45 176.18 3m44 h ARG 62 N 0.00 0.04 0.00 1.90 3.08 -1.09 -3.41 114.38 114.90 3m44 h ARG 62 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3m44 h ARG 62 Cb 1.32 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.40 3m44 h ARG 62 CO 0.08 0.65 -0.26 1.19 -1.07 0.00 0.00 179.97 180.56 3m44 n PHE 63 N -3.14 0.00 -2.60 3.04 0.99 -0.28 -5.01 117.46 110.47 3m44 n PHE 63 Ca -0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.09 3m44 n PHE 63 Cb 1.04 -0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.53 3m44 n PHE 63 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3m44 n GLY 64 N 1.37 -0.39 3.93 1.37 0.00 0.86 -4.99 105.19 107.33 3m44 n GLY 64 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3m44 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m44 s ARG 66 N -3.76 4.60 -0.14 0.00 3.52 0.64 -4.50 118.95 119.31 3m44 s ARG 66 Ca 0.40 1.72 0.01 0.00 -0.13 0.00 0.00 55.73 57.72 3m44 s ARG 66 Cb -0.10 -3.11 -0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3m44 s ARG 66 CO 0.32 0.21 -0.16 0.42 -0.81 0.00 0.00 175.30 175.27 3m44 s ILE 67 N -1.24 2.62 -0.25 4.11 -1.09 -1.26 -0.77 121.20 123.33 3m44 s ILE 67 Ca 0.46 -0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 58.02 3m44 s ILE 67 Cb -0.30 -2.09 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 3m44 s ILE 67 CO 0.38 0.52 0.05 -0.63 -1.23 0.00 0.00 174.94 174.03 3m44 s ILE 68 N 0.68 4.13 -0.49 2.92 1.01 -0.29 -1.10 121.20 128.06 3m44 s ILE 68 Ca -0.08 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.08 3m44 s ILE 68 Cb -0.16 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.41 3m44 s ILE 68 CO 0.02 0.35 0.89 0.00 0.00 0.00 0.00 174.94 176.20 3m44 s ALA 69 N 1.59 3.23 -1.26 9.38 0.00 0.34 -1.22 121.76 133.82 3m44 s ALA 69 Ca 0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 3m44 s ALA 69 Cb -0.15 -3.62 0.15 0.00 0.00 0.00 0.00 23.12 19.49 3m44 s ALA 69 CO 0.02 -2.13 1.65 -3.47 0.00 0.00 0.00 175.76 171.83 3m44 n ASP 70 N 7.13 5.07 -0.56 0.00 -0.08 0.13 -1.21 116.55 127.04 3m44 n ASP 70 Ca 0.04 -3.00 0.09 0.00 -1.51 0.00 0.00 54.79 50.41 3m44 n ASP 70 Cb 0.48 -1.58 0.03 0.00 2.34 0.00 0.00 41.12 42.39 3m44 n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3m44 n PHE 71 N 5.59 0.00 -4.11 -0.67 0.99 -1.25 -4.18 117.46 113.83 3m44 n PHE 71 Ca 0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.50 3m44 n PHE 71 Cb 0.41 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.86 3m44 n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3m44 n LYS 72 N 0.37 -1.13 -1.71 -1.08 5.02 -0.49 -4.73 118.16 114.42 3m44 n LYS 72 Ca 0.09 0.17 -0.43 0.00 -2.02 0.00 0.00 58.31 56.13 3m44 n LYS 72 Cb 0.43 -3.43 -0.03 0.00 -0.02 0.00 0.00 35.03 31.98 3m44 n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m44 n VAL 73 N -4.68 0.07 -2.71 -0.18 0.31 -0.89 -4.39 118.33 105.86 3m44 n VAL 73 Ca -0.23 -0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.04 3m44 n VAL 73 Cb 0.64 -1.94 0.09 0.00 -0.91 0.00 0.00 33.84 31.71 3m44 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m44 n ALA 74 N 4.20 2.41 -4.04 3.52 0.00 -1.26 -0.97 120.51 124.36 3m44 n ALA 74 Ca 0.17 -1.94 -0.06 0.00 0.00 0.00 0.00 53.44 51.61 3m44 n ALA 74 Cb 0.34 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 3m44 n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3m44 n ASP 75 N -0.69 2.10 -4.74 0.00 -0.08 -1.26 -4.96 116.55 106.92 3m44 n ASP 75 Ca -0.02 -1.41 -0.30 0.00 -1.51 0.00 0.00 54.79 51.56 3m44 n ASP 75 Cb 0.84 0.05 0.12 0.00 2.34 0.00 0.00 41.12 44.48 3m44 n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3m44 s ILE 76 N -1.19 2.88 0.18 5.18 -4.36 -1.26 -4.70 121.20 117.92 3m44 s ILE 76 Ca 0.01 0.29 -0.14 0.00 -0.26 0.00 0.00 60.65 60.55 3m44 s ILE 76 Cb -0.00 -2.78 0.10 0.00 1.25 0.00 0.00 42.46 41.03 3m44 s ILE 76 CO 0.01 -0.37 1.71 -0.65 0.24 0.00 0.00 174.94 175.88 3m44 h PRO 77 N -1.40 0.20 -0.54 0.37 0.11 -1.88 0.57 132.00 129.43 3m44 h PRO 77 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3m44 h PRO 77 Cb 1.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3m44 h PRO 77 CO 0.54 0.13 0.11 1.49 -0.21 0.00 0.00 178.00 180.05 3m44 h GLU 78 N 0.21 0.84 -0.12 1.05 4.81 -1.94 -0.44 114.58 118.99 3m44 h GLU 78 Ca 0.24 -0.18 -0.23 0.00 -0.13 0.00 0.00 59.36 59.05 3m44 h GLU 78 Cb 0.32 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3m44 h GLU 78 CO -0.32 0.77 -0.83 1.15 -0.73 0.00 0.00 179.01 179.05 3m44 h THR 79 N 0.81 1.29 -0.82 0.32 2.02 -1.83 -2.80 112.91 111.89 3m44 h THR 79 Ca 0.17 -2.04 0.07 0.00 0.77 0.00 0.00 66.41 65.38 3m44 h THR 79 Cb 0.33 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 3m44 h THR 79 CO 0.00 0.64 0.49 0.78 0.37 0.00 0.00 175.52 177.81 3m44 h ASN 80 N 0.49 0.75 -0.51 4.18 4.21 -0.40 -0.21 115.58 124.09 3m44 h ASN 80 Ca -0.07 0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.50 3m44 h ASN 80 Cb 1.46 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.50 3m44 h ASN 80 CO 0.17 0.46 0.29 -0.08 -1.29 0.00 0.00 177.43 176.98 3m44 h GLU 81 N 0.87 0.56 -0.39 0.81 4.81 -0.99 -1.01 114.58 119.23 3m44 h GLU 81 Ca 0.37 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 3m44 h GLU 81 Cb 0.24 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3m44 h GLU 81 CO -0.20 0.37 -0.35 0.87 -0.73 0.00 0.00 179.01 178.97 3m44 h LYS 82 N 0.57 0.91 -0.15 1.92 1.57 -1.10 -0.06 116.57 120.24 3m44 h LYS 82 Ca 0.21 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3m44 h LYS 82 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3m44 h LYS 82 CO -0.11 1.11 0.08 0.82 -0.57 0.00 0.00 179.45 180.78 3m44 h ILE 83 N 0.75 1.10 -0.55 1.86 2.04 -0.87 -1.21 117.51 120.63 3m44 h ILE 83 Ca 0.07 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3m44 h ILE 83 Cb 0.93 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3m44 h ILE 83 CO 0.09 0.09 0.36 0.00 0.00 0.00 0.00 178.15 178.69 3m44 h ARG 85 N 0.73 0.49 -0.82 0.00 2.43 -0.83 0.44 114.38 116.82 3m44 h ARG 85 Ca 0.20 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3m44 h ARG 85 Cb -0.08 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 3m44 h ARG 85 CO -0.05 0.35 0.43 0.00 -1.51 0.00 0.00 179.97 179.19 3m44 h ALA 86 N 1.10 1.05 -0.28 2.80 0.00 -1.05 0.39 119.26 123.27 3m44 h ALA 86 Ca 0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3m44 h ALA 86 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3m44 h ALA 86 CO -0.03 0.58 -0.23 1.15 0.00 0.00 0.00 179.25 180.73 3m44 h THR 87 N 1.15 1.30 -0.28 0.00 2.02 -0.80 -1.90 112.91 114.40 3m44 h THR 87 Ca 0.28 -1.38 -0.13 0.00 0.77 0.00 0.00 66.41 65.96 3m44 h THR 87 Cb 0.07 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3m44 h THR 87 CO -0.04 0.44 -0.35 -0.26 0.37 0.00 0.00 175.52 175.67 3m44 h PHE 88 N 0.38 0.72 -0.41 3.16 0.04 -0.80 -2.49 116.94 117.54 3m44 h PHE 88 Ca 0.05 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 3m44 h PHE 88 Cb 0.79 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 3m44 h PHE 88 CO 0.07 0.89 0.17 0.87 -0.60 0.00 0.00 178.31 179.71 3m44 h LYS 89 N 0.52 0.58 0.00 1.51 1.57 -0.77 -0.21 116.57 119.77 3m44 h LYS 89 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3m44 h LYS 89 Cb 0.85 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3m44 h LYS 89 CO 0.07 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 3m44 n ALA 90 N -2.47 1.98 0.00 3.86 0.00 -0.73 -4.88 120.51 118.26 3m44 n ALA 90 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3m44 n ALA 90 Cb 0.14 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3m44 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m44 n GLY 91 N 0.44 0.73 3.77 0.00 0.00 -0.09 -3.65 105.19 106.39 3m44 n GLY 91 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3m44 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m44 n ALA 92 N -1.08 2.52 0.11 4.61 0.00 -0.96 -4.84 120.51 120.87 3m44 n ALA 92 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 3m44 n ALA 92 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.00 3m44 n ALA 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3m44 h ASP 93 N 3.79 0.00 -5.06 0.00 3.32 -1.47 -3.42 116.42 113.58 3m44 h ASP 93 Ca -0.49 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 3m44 h ASP 93 Cb 1.23 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 3m44 h ASP 93 CO 0.71 0.69 -0.01 0.00 -1.72 0.00 0.00 179.24 178.90 3m44 s ALA 94 N -2.94 -1.05 0.00 3.45 0.00 -1.05 -1.84 121.76 118.33 3m44 s ALA 94 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3m44 s ALA 94 Cb 0.09 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 3m44 s ALA 94 CO 0.77 -0.68 -0.02 -1.50 0.00 0.00 0.00 175.76 174.33 3m44 s ILE 95 N -3.80 0.16 -0.18 0.00 2.07 -0.61 -0.51 121.20 118.34 3m44 s ILE 95 Ca 0.03 -0.18 -0.13 0.00 -1.41 0.00 0.00 60.65 58.96 3m44 s ILE 95 Cb 0.01 -0.16 -0.05 0.00 0.13 0.00 0.00 42.46 42.40 3m44 s ILE 95 CO -0.12 -0.01 0.28 -0.63 -1.91 0.00 0.00 174.94 172.55 3m44 s ILE 96 N -0.20 5.31 -0.00 2.00 1.01 -0.35 -0.69 121.20 128.29 3m44 s ILE 96 Ca -0.01 0.50 0.04 0.00 0.00 0.00 0.00 60.65 61.19 3m44 s ILE 96 Cb -0.02 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3m44 s ILE 96 CO -0.00 0.37 -0.13 0.68 0.00 0.00 0.00 174.94 175.86 3m44 s VAL 97 N 0.63 1.05 0.49 2.92 -7.23 0.01 -1.39 120.40 116.88 3m44 s VAL 97 Ca 0.15 -0.64 -0.21 0.00 -1.81 0.00 0.00 61.98 59.47 3m44 s VAL 97 Cb -0.13 -0.89 -0.07 0.00 0.56 0.00 0.00 36.38 35.85 3m44 s VAL 97 CO 0.04 0.25 1.15 -1.00 -0.31 0.00 0.00 175.10 175.22 3m44 s HIS 98 N -0.40 2.79 -0.13 2.82 3.76 -0.14 -1.36 115.29 122.64 3m44 s HIS 98 Ca 0.04 1.54 0.22 0.00 -0.15 0.00 0.00 55.06 56.72 3m44 s HIS 98 Cb -0.06 -3.34 -0.18 0.00 1.11 0.00 0.00 32.58 30.12 3m44 s HIS 98 CO -0.00 -1.52 0.73 0.41 -0.85 0.00 0.00 174.74 173.51 3m44 n GLY 99 N 0.32 -1.21 0.26 -2.22 0.00 -1.24 -4.53 105.19 96.56 3m44 n GLY 99 Ca 0.09 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.84 3m44 n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3m44 h PHE 100 N 0.00 0.00 0.00 1.61 -5.15 -1.94 -0.04 116.94 111.42 3m44 h PHE 100 Ca -0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.75 3m44 h PHE 100 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.22 3m44 h PHE 100 CO 0.00 0.10 0.00 -2.30 -2.00 0.00 0.00 178.31 174.11 3m44 n PRO 101 N -4.03 0.49 0.00 6.09 -0.02 -1.26 -4.98 135.00 131.28 3m44 n PRO 101 Ca -0.02 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3m44 n PRO 101 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3m44 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m44 n GLY 102 N 0.24 0.50 0.24 -1.23 0.00 -0.03 -4.60 105.19 100.31 3m44 n GLY 102 Ca 0.13 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 3m44 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m44 h ALA 103 N 0.00 0.53 -0.41 4.61 0.00 -1.94 -2.63 119.26 119.41 3m44 h ALA 103 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3m44 h ALA 103 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3m44 h ALA 103 CO 0.00 0.68 0.03 -0.44 0.00 0.00 0.00 179.25 179.53 3m44 h ASP 104 N 0.60 0.60 -0.03 0.00 5.19 -1.99 0.16 116.42 120.96 3m44 h ASP 104 Ca 0.01 -0.12 -0.15 0.00 -0.62 0.00 0.00 57.03 56.15 3m44 h ASP 104 Cb 1.15 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 3m44 h ASP 104 CO 0.12 0.65 -0.50 0.28 -3.12 0.00 0.00 179.24 176.67 3m44 h SER 105 N 0.62 0.65 -0.23 6.45 0.02 -1.77 -2.24 113.55 117.05 3m44 h SER 105 Ca 0.13 -0.33 -0.17 0.00 -0.84 0.00 0.00 61.79 60.59 3m44 h SER 105 Cb 0.34 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3m44 h SER 105 CO 0.01 1.04 -0.51 0.58 -1.14 0.00 0.00 176.83 176.81 3m44 h VAL 106 N 0.47 1.30 -0.54 2.27 2.07 -1.08 -3.22 116.25 117.52 3m44 h VAL 106 Ca 0.02 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 3m44 h VAL 106 Cb 1.03 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 3m44 h VAL 106 CO 0.10 0.55 0.25 -0.09 0.02 0.00 0.00 177.57 178.39 3m44 h ARG 107 N 0.47 0.77 -0.96 1.57 2.43 -0.63 -1.14 114.38 116.89 3m44 h ARG 107 Ca 0.00 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3m44 h ARG 107 Cb 1.12 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.45 3m44 h ARG 107 CO 0.11 0.60 0.60 0.00 -1.51 0.00 0.00 179.97 179.78 3m44 h ALA 108 N 1.51 1.36 -0.32 2.80 0.00 -1.41 0.14 119.26 123.33 3m44 h ALA 108 Ca 0.19 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3m44 h ALA 108 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3m44 h ALA 108 CO -0.02 0.33 -0.17 0.00 0.00 0.00 0.00 179.25 179.38 3m44 h LEU 110 N 0.45 0.80 -0.26 0.00 3.38 -0.38 -1.30 115.31 118.00 3m44 h LEU 110 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3m44 h LEU 110 Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3m44 h LEU 110 CO 0.05 0.56 0.15 0.78 0.09 0.00 0.00 178.44 180.07 3m44 h ASN 111 N 0.93 0.31 -0.34 -0.43 2.35 -0.61 -0.04 115.58 117.76 3m44 h ASN 111 Ca 0.29 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 3m44 h ASN 111 Cb 0.02 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3m44 h ASN 111 CO -0.08 0.29 -0.41 0.58 -1.65 0.00 0.00 177.43 176.16 3m44 h VAL 112 N 0.32 1.27 -0.89 2.81 2.07 -1.29 -1.22 116.25 119.32 3m44 h VAL 112 Ca 0.09 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 66.05 3m44 h VAL 112 Cb 0.03 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3m44 h VAL 112 CO -0.02 0.53 0.59 0.00 0.02 0.00 0.00 177.57 178.69 3m44 h ALA 113 N 0.79 1.41 -0.15 1.67 0.00 -1.07 -0.43 119.26 121.49 3m44 h ALA 113 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3m44 h ALA 113 Cb 1.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3m44 h ALA 113 CO 0.10 0.52 0.02 1.49 0.00 0.00 0.00 179.25 181.38 3m44 h GLU 114 N 1.15 0.24 -0.82 0.00 4.57 -0.65 0.39 114.58 119.48 3m44 h GLU 114 Ca 0.34 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.54 3m44 h GLU 114 Cb -0.04 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.45 3m44 h GLU 114 CO -0.09 0.43 0.47 0.93 -1.18 0.00 0.00 179.01 179.57 3m44 h GLU 115 N 0.02 0.80 -0.02 1.92 5.08 -0.81 -3.17 114.58 118.40 3m44 h GLU 115 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m44 h GLU 115 Cb 0.30 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3m44 h GLU 115 CO 0.00 0.53 -0.10 -1.33 -1.00 0.00 0.00 179.01 177.11 3m44 n MET 116 N -4.72 1.87 -2.70 2.33 2.81 -0.21 -4.97 117.12 111.53 3m44 n MET 116 Ca 0.13 -1.60 -0.10 0.00 -1.81 0.00 0.00 57.70 54.32 3m44 n MET 116 Cb 0.24 -1.42 0.02 0.00 -0.71 0.00 0.00 33.22 31.36 3m44 n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m44 n GLY 117 N 1.25 0.22 0.98 3.03 0.00 -0.07 -5.05 105.19 105.55 3m44 n GLY 117 Ca 0.12 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 3m44 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m44 n ARG 118 N -2.21 1.63 -4.65 1.61 5.12 -0.07 -5.04 116.66 113.04 3m44 n ARG 118 Ca -0.03 -0.99 -0.26 0.00 -1.93 0.00 0.00 57.85 54.63 3m44 n ARG 118 Cb 0.54 0.25 -0.14 0.00 -1.16 0.00 0.00 32.46 31.95 3m44 n ARG 118 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3m44 s GLU 119 N -2.51 1.45 -0.14 5.56 0.41 -0.77 -4.56 118.70 118.14 3m44 s GLU 119 Ca 0.01 -1.01 -0.02 0.00 -0.41 0.00 0.00 54.97 53.54 3m44 s GLU 119 Cb -0.00 -1.60 -0.02 0.00 -1.78 0.00 0.00 34.13 30.72 3m44 s GLU 119 CO 0.01 0.41 -0.08 0.08 -0.49 0.00 0.00 175.26 175.18 3m44 s VAL 120 N -0.85 3.52 -0.19 2.63 1.01 -1.26 -1.57 120.40 123.70 3m44 s VAL 120 Ca 0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 3m44 s VAL 120 Cb -0.09 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3m44 s VAL 120 CO 0.02 0.51 0.04 -0.36 0.00 0.00 0.00 175.10 175.31 3m44 s PHE 121 N 0.31 3.16 -0.20 5.22 0.40 0.14 -4.06 117.98 122.95 3m44 s PHE 121 Ca -0.07 -0.11 -0.19 0.00 -0.60 0.00 0.00 56.93 55.97 3m44 s PHE 121 Cb -0.15 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 3m44 s PHE 121 CO 0.04 0.01 0.53 -1.17 0.70 0.00 0.00 175.22 175.33 3m44 s LEU 122 N 0.61 4.14 -0.42 -0.37 2.96 -0.20 -0.81 118.68 124.59 3m44 s LEU 122 Ca 0.02 0.68 -0.26 0.00 -0.22 0.00 0.00 54.13 54.35 3m44 s LEU 122 Cb -0.13 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.86 3m44 s LEU 122 CO 0.02 -0.19 0.96 -0.22 -1.32 0.00 0.00 176.35 175.59 3m44 s LEU 123 N 1.68 3.95 0.11 -0.68 2.96 -0.46 -0.70 118.68 125.54 3m44 s LEU 123 Ca 0.24 0.40 0.20 0.00 -0.22 0.00 0.00 54.13 54.76 3m44 s LEU 123 Cb -0.15 -3.28 -0.10 0.00 0.50 0.00 0.00 46.19 43.16 3m44 s LEU 123 CO 0.10 -0.98 0.87 0.35 -1.32 0.00 0.00 176.35 175.36 3m44 n THR 124 N 6.25 0.76 -3.62 3.68 -2.24 -0.68 -3.70 114.28 114.74 3m44 n THR 124 Ca 0.07 -0.60 -0.07 0.00 -2.27 0.00 0.00 64.05 61.18 3m44 n THR 124 Cb 0.48 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 3m44 n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3m44 s GLU 125 N -3.21 1.15 0.10 -0.78 2.12 -1.26 -4.25 118.70 112.57 3m44 s GLU 125 Ca -0.03 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.78 3m44 s GLU 125 Cb 0.10 0.46 -0.04 0.00 0.26 0.00 0.00 34.13 34.90 3m44 s GLU 125 CO 0.81 -0.52 -0.07 -1.64 -0.54 0.00 0.00 175.26 173.31 3m44 s MET 126 N -3.40 0.82 0.00 4.30 -1.94 -1.26 -4.51 119.30 113.31 3m44 s MET 126 Ca 0.07 -1.30 0.02 0.00 -1.71 0.00 0.00 55.69 52.78 3m44 s MET 126 Cb -0.02 -0.22 0.03 0.00 2.01 0.00 0.00 34.83 36.63 3m44 s MET 126 CO -0.04 -0.01 0.68 0.43 -0.01 0.00 0.00 175.02 176.07 3m44 n SER 127 N 0.06 1.41 -4.79 3.03 7.64 -1.26 -4.81 113.62 114.90 3m44 n SER 127 Ca -0.13 -1.30 -0.32 0.00 1.01 0.00 0.00 58.87 58.13 3m44 n SER 127 Cb 0.60 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.84 3m44 n SER 127 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3m44 s HIS 128 N -0.37 2.80 0.20 1.43 -3.43 -1.26 -4.92 115.29 109.75 3m44 s HIS 128 Ca 0.03 1.52 -0.12 0.00 -0.80 0.00 0.00 55.06 55.69 3m44 s HIS 128 Cb 0.02 -3.04 0.26 0.00 -1.43 0.00 0.00 32.58 28.39 3m44 s HIS 128 CO 0.03 -1.48 1.68 -1.35 -2.00 0.00 0.00 174.74 171.61 3m44 h PRO 129 N -0.32 0.13 0.00 -0.38 0.11 -2.06 -0.78 132.00 128.71 3m44 h PRO 129 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3m44 h PRO 129 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3m44 h PRO 129 CO 0.55 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 3m44 n GLY 130 N -1.34 -0.72 0.34 -0.55 0.00 -1.26 -2.56 105.19 99.10 3m44 n GLY 130 Ca 0.08 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.33 3m44 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m44 h ALA 131 N 2.17 1.01 0.00 4.61 0.00 -1.45 -2.23 119.26 123.36 3m44 h ALA 131 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3m44 h ALA 131 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3m44 h ALA 131 CO 0.00 0.00 -0.27 1.49 0.00 0.00 0.00 179.25 180.47 3m44 h GLU 132 N 0.00 0.00 -0.11 0.00 4.22 -1.70 -0.36 114.58 116.63 3m44 h GLU 132 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 3m44 h GLU 132 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3m44 h GLU 132 CO 0.00 0.27 0.03 0.52 -2.18 0.00 0.00 179.01 177.65 3m44 h MET 133 N 0.00 0.17 0.00 1.92 0.00 -1.66 -3.42 114.93 111.94 3m44 h MET 133 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 59.70 59.66 3m44 h MET 133 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.09 3m44 h MET 133 CO 0.03 0.34 -0.37 1.19 0.00 0.00 0.00 176.91 178.11 3m44 n PHE 134 N -4.87 0.00 -0.06 -0.22 3.01 -1.25 -4.90 117.46 109.18 3m44 n PHE 134 Ca -0.06 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.28 3m44 n PHE 134 Cb 0.15 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.55 3m44 n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3m44 h ILE 135 N 0.00 1.32 -0.72 4.37 2.04 -1.72 -3.16 117.51 119.64 3m44 h ILE 135 Ca 0.00 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.71 3m44 h ILE 135 Cb 0.37 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 3m44 h ILE 135 CO 0.00 0.35 0.45 1.56 0.00 0.00 0.00 178.15 180.51 3m44 h GLN 136 N -0.01 0.84 0.00 2.37 4.20 -1.32 -1.56 115.11 119.64 3m44 h GLN 136 Ca 0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3m44 h GLN 136 Cb 0.59 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 3m44 h GLN 136 CO 0.03 0.56 -0.01 0.78 -0.67 0.00 0.00 178.83 179.51 3m44 h GLY 137 N 0.87 0.00 0.28 3.46 0.00 -1.83 -2.78 103.07 103.07 3m44 h GLY 137 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3m44 h GLY 137 CO -0.12 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.62 3m44 n ALA 138 N -2.10 4.27 0.03 3.60 0.00 -0.65 -4.69 120.51 120.98 3m44 n ALA 138 Ca -0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 3m44 n ALA 138 Cb 0.27 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 3m44 n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m44 h ALA 139 N 3.06 0.00 -0.70 0.00 0.00 -1.09 0.64 119.26 121.17 3m44 h ALA 139 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3m44 h ALA 139 Cb 0.51 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3m44 h ALA 139 CO 0.00 -0.51 0.38 -0.44 0.00 0.00 0.00 179.25 178.67 3m44 h ASP 140 N -0.03 0.88 -0.22 0.00 3.32 -1.83 -0.20 116.42 118.34 3m44 h ASP 140 Ca 0.02 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 3m44 h ASP 140 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3m44 h ASP 140 CO -0.05 0.73 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.92 3m44 h GLU 141 N 0.96 0.67 -0.52 3.56 4.81 -1.77 -0.18 114.58 122.12 3m44 h GLU 141 Ca 0.25 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3m44 h GLU 141 Cb 0.05 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3m44 h GLU 141 CO -0.04 0.82 0.16 0.82 -0.73 0.00 0.00 179.01 180.04 3m44 h ILE 142 N 0.59 1.23 -0.48 2.32 2.04 -0.57 0.22 117.51 122.87 3m44 h ILE 142 Ca 0.09 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3m44 h ILE 142 Cb 0.67 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3m44 h ILE 142 CO 0.05 0.29 0.28 0.00 0.00 0.00 0.00 178.15 178.76 3m44 h ALA 143 N 1.02 0.61 -0.70 1.87 0.00 -0.68 -1.00 119.26 120.38 3m44 h ALA 143 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3m44 h ALA 143 Cb 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3m44 h ALA 143 CO -0.00 0.11 0.33 0.00 0.00 0.00 0.00 179.25 179.69 3m44 h ARG 144 N 0.63 1.01 -0.56 0.00 3.08 -0.83 -1.50 114.38 116.21 3m44 h ARG 144 Ca 0.17 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3m44 h ARG 144 Cb 0.02 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3m44 h ARG 144 CO -0.03 0.79 0.33 1.98 -1.07 0.00 0.00 179.97 181.97 3m44 h MET 145 N 1.00 0.76 -0.28 0.04 4.05 -0.52 -0.98 114.93 119.00 3m44 h MET 145 Ca 0.24 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.63 3m44 h MET 145 Cb 0.12 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 3m44 h MET 145 CO -0.03 0.55 0.04 0.78 0.23 0.00 0.00 176.91 178.48 3m44 h GLY 146 N 0.75 0.30 0.90 1.39 0.00 -0.64 -1.94 103.07 103.83 3m44 h GLY 146 Ca 0.20 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.57 3m44 h GLY 146 CO -0.04 -0.03 0.64 -2.08 0.00 0.00 0.00 176.54 175.03 3m44 h VAL 147 N 0.13 1.16 0.00 4.60 2.07 -0.93 0.24 116.25 123.53 3m44 h VAL 147 Ca 0.13 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3m44 h VAL 147 Cb 0.15 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3m44 h VAL 147 CO -0.19 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.09 3m44 n ASP 148 N -4.45 0.00 -0.22 0.57 8.00 -0.40 -2.06 116.55 117.99 3m44 n ASP 148 Ca 0.13 -1.39 0.03 0.00 0.71 0.00 0.00 54.79 54.27 3m44 n ASP 148 Cb 0.11 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 3m44 n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m44 n LEU 149 N -0.75 1.44 -0.38 0.64 4.77 -0.07 -4.98 117.00 117.66 3m44 n LEU 149 Ca 0.11 -0.99 -0.05 0.00 -0.03 0.00 0.00 56.01 55.06 3m44 n LEU 149 Cb 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3m44 n LEU 149 CO 0.08 0.30 -0.05 0.61 -1.33 0.00 0.00 177.39 177.01 3m44 n GLY 150 N 0.34 0.76 3.73 -0.72 0.00 -0.87 -4.99 105.19 103.44 3m44 n GLY 150 Ca 0.03 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3m44 n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m44 n VAL 151 N -2.81 0.65 0.36 1.61 0.31 -0.34 -4.91 118.33 113.20 3m44 n VAL 151 Ca -0.05 -0.16 0.06 0.00 -0.01 0.00 0.00 64.34 64.18 3m44 n VAL 151 Cb 0.19 -1.96 -0.08 0.00 -0.91 0.00 0.00 33.84 31.07 3m44 n VAL 151 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3m44 n LYS 152 N 2.81 1.87 -4.61 5.55 4.76 -1.26 -4.65 118.16 122.63 3m44 n LYS 152 Ca 0.11 -0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 3m44 n LYS 152 Cb 0.36 -1.18 -0.16 0.00 -1.84 0.00 0.00 35.03 32.21 3m44 n LYS 152 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3m44 s ASN 153 N -2.71 1.72 0.02 4.39 0.01 -1.26 -0.06 114.94 117.05 3m44 s ASN 153 Ca 0.01 -0.28 0.02 0.00 -0.71 0.00 0.00 52.86 51.90 3m44 s ASN 153 Cb 0.09 -0.57 -0.01 0.00 0.41 0.00 0.00 41.25 41.17 3m44 s ASN 153 CO 0.53 0.09 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.83 3m44 s TYR 154 N 0.29 0.59 -0.21 2.20 1.51 0.44 -1.04 117.35 121.12 3m44 s TYR 154 Ca -0.07 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.65 3m44 s TYR 154 Cb -0.12 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 3m44 s TYR 154 CO 0.02 -0.05 -0.03 0.08 -1.11 0.00 0.00 175.55 174.47 3m44 s VAL 155 N -0.77 3.60 0.27 0.71 1.01 0.12 -1.29 120.40 124.05 3m44 s VAL 155 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3m44 s VAL 155 Cb -0.06 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.72 3m44 s VAL 155 CO 0.00 0.43 0.31 0.61 0.00 0.00 0.00 175.10 176.45 3m44 n GLY 156 N 4.53 2.33 3.76 4.51 0.00 -0.38 -1.68 105.19 118.25 3m44 n GLY 156 Ca -0.18 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.26 3m44 n GLY 156 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m44 s PRO 157 N -3.18 3.39 0.02 1.61 0.02 -1.26 -4.63 135.00 130.96 3m44 s PRO 157 Ca 0.23 2.22 -0.20 0.00 0.02 0.00 0.00 61.00 63.27 3m44 s PRO 157 Cb -0.02 -2.40 -0.19 0.00 0.02 0.00 0.00 34.50 31.92 3m44 s PRO 157 CO 0.15 -0.99 1.20 1.03 -0.33 0.00 0.00 177.00 178.06 3m44 h SER 158 N 1.80 0.46 -1.43 2.53 0.87 -1.90 -3.40 113.55 112.48 3m44 h SER 158 Ca -0.51 -0.64 -0.47 0.00 -1.23 0.00 0.00 61.79 58.94 3m44 h SER 158 Cb 1.28 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 3m44 h SER 158 CO 0.59 1.03 -0.33 0.42 -0.53 0.00 0.00 176.83 178.01 3m44 s THR 159 N -3.67 2.70 -0.19 2.23 -4.23 -1.26 -4.66 115.64 106.56 3m44 s THR 159 Ca -0.14 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 3m44 s THR 159 Cb 0.04 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.96 3m44 s THR 159 CO 0.79 0.00 0.20 0.54 -0.54 0.00 0.00 174.62 175.61 3m44 n ARG 160 N -1.67 -1.26 -0.28 3.99 1.74 -1.26 -4.81 116.66 113.10 3m44 n ARG 160 Ca 0.05 1.35 0.09 0.00 -0.77 0.00 0.00 57.85 58.57 3m44 n ARG 160 Cb 0.61 -3.35 0.23 0.00 -1.02 0.00 0.00 32.46 28.94 3m44 n ARG 160 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3m44 h PRO 161 N 1.07 0.26 0.00 5.56 0.11 -1.95 0.13 132.00 137.17 3m44 h PRO 161 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3m44 h PRO 161 Cb 0.34 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3m44 h PRO 161 CO 0.08 0.17 0.00 1.05 -0.21 0.00 0.00 178.00 179.09 3m44 h GLU 162 N 0.27 0.00 0.06 1.05 9.09 -2.00 0.18 114.58 123.22 3m44 h GLU 162 Ca 0.48 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.66 3m44 h GLU 162 Cb 0.89 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 3m44 h GLU 162 CO -0.57 0.00 -1.07 0.00 0.05 0.00 0.00 179.01 177.42 3m44 h ARG 163 N 0.00 0.17 -0.41 1.06 2.47 -1.06 -3.06 114.38 113.55 3m44 h ARG 163 Ca 0.00 -0.26 -0.10 0.00 -1.26 0.00 0.00 59.98 58.36 3m44 h ARG 163 Cb 0.05 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 3m44 h ARG 163 CO 0.00 1.09 -0.14 -0.07 0.56 0.00 0.00 179.97 181.41 3m44 h LEU 164 N 0.06 0.75 -0.57 3.04 4.07 -0.61 -0.78 115.31 121.27 3m44 h LEU 164 Ca -0.07 -0.23 -0.11 0.00 0.08 0.00 0.00 57.88 57.55 3m44 h LEU 164 Cb 1.79 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 43.31 3m44 h LEU 164 CO 0.16 0.90 -0.07 -1.28 -1.08 0.00 0.00 178.44 177.08 3m44 h SER 165 N 0.68 1.04 -0.40 -0.43 0.87 -1.50 0.19 113.55 114.00 3m44 h SER 165 Ca 0.11 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 3m44 h SER 165 Cb 0.62 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3m44 h SER 165 CO 0.04 1.13 0.03 -0.09 -0.53 0.00 0.00 176.83 177.41 3m44 h ARG 166 N 0.93 0.69 -0.44 2.24 9.65 -1.40 -1.10 114.38 124.95 3m44 h ARG 166 Ca 0.15 -0.20 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3m44 h ARG 166 Cb 0.64 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 3m44 h ARG 166 CO 0.04 0.76 0.16 1.25 2.80 0.00 0.00 179.97 184.98 3m44 h LEU 167 N 0.53 0.62 -1.18 3.80 5.85 -0.94 -2.15 115.31 121.83 3m44 h LEU 167 Ca 0.12 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3m44 h LEU 167 Cb 0.43 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3m44 h LEU 167 CO 0.01 0.63 0.35 -0.09 -0.34 0.00 0.00 178.44 179.00 3m44 h ARG 168 N 0.57 0.92 -0.53 1.25 9.65 -0.83 -0.03 114.38 125.38 3m44 h ARG 168 Ca 0.15 -0.10 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 3m44 h ARG 168 Cb 0.21 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 3m44 h ARG 168 CO -0.01 0.69 0.27 1.49 2.80 0.00 0.00 179.97 185.21 3m44 h GLU 169 N 0.92 0.51 -0.17 0.20 4.81 -0.84 -1.10 114.58 118.91 3m44 h GLU 169 Ca 0.23 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3m44 h GLU 169 Cb 0.04 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3m44 h GLU 169 CO -0.04 0.34 -0.44 0.82 -0.73 0.00 0.00 179.01 178.96 3m44 h ILE 170 N 0.53 1.33 0.00 2.32 2.04 -0.60 -3.31 117.51 119.82 3m44 h ILE 170 Ca 0.23 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3m44 h ILE 170 Cb 0.14 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3m44 h ILE 170 CO -0.16 0.52 -0.41 2.30 0.00 0.00 0.00 178.15 180.40 3m44 n ILE 171 N -4.22 0.13 0.00 -0.67 -5.35 -0.14 -4.93 119.36 104.17 3m44 n ILE 171 Ca -0.06 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3m44 n ILE 171 Cb 0.56 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 3m44 n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m44 n GLY 172 N 1.45 -0.81 0.01 3.28 0.00 -0.42 -4.32 105.19 104.38 3m44 n GLY 172 Ca 0.05 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.52 3m44 n GLY 172 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m44 n GLN 173 N -0.90 0.03 0.04 1.61 1.13 -1.26 -4.09 117.38 113.94 3m44 n GLN 173 Ca 0.00 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.87 3m44 n GLN 173 Cb 0.00 -1.53 -0.14 0.00 0.11 0.00 0.00 30.24 28.68 3m44 n GLN 173 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3m44 h ASP 174 N 0.00 0.48 -4.25 1.08 3.32 -1.95 -3.48 116.42 111.62 3m44 h ASP 174 Ca 0.00 -0.83 -0.53 0.00 0.02 0.00 0.00 57.03 55.69 3m44 h ASP 174 Cb 0.53 -0.16 0.19 0.00 0.22 0.00 0.00 39.33 40.11 3m44 h ASP 174 CO 0.00 1.72 0.27 -0.44 -1.72 0.00 0.00 179.24 179.07 3m44 s SER 175 N -7.09 3.17 -0.17 6.45 0.01 -1.26 -4.91 113.70 109.91 3m44 s SER 175 Ca -0.17 2.25 -0.15 0.00 1.31 0.00 0.00 55.95 59.20 3m44 s SER 175 Cb 0.06 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3m44 s SER 175 CO 0.82 -2.94 0.33 0.12 0.41 0.00 0.00 173.24 171.99 3m44 s PHE 176 N -2.47 3.43 -0.08 2.43 5.36 0.91 -4.97 117.98 122.59 3m44 s PHE 176 Ca 0.69 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 57.29 3m44 s PHE 176 Cb -0.25 -2.41 0.02 0.00 -0.34 0.00 0.00 43.02 40.03 3m44 s PHE 176 CO 0.55 0.15 -0.12 -1.17 -1.46 0.00 0.00 175.22 173.17 3m44 s LEU 177 N 0.76 1.58 0.10 6.12 2.96 -1.26 -0.42 118.68 128.51 3m44 s LEU 177 Ca 0.18 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.86 3m44 s LEU 177 Cb -0.14 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3m44 s LEU 177 CO 0.06 0.00 -0.23 0.27 -1.32 0.00 0.00 176.35 175.13 3m44 s ILE 178 N 0.89 2.51 -0.01 6.68 -4.36 -0.41 0.34 121.20 126.83 3m44 s ILE 178 Ca -0.10 -1.53 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 3m44 s ILE 178 Cb -0.15 -2.10 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 3m44 s ILE 178 CO 0.01 0.18 0.05 -0.55 0.24 0.00 0.00 174.94 174.87 3m44 s SER 179 N -1.85 0.02 0.00 4.36 0.15 -0.85 -1.25 113.70 114.28 3m44 s SER 179 Ca 0.15 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.72 3m44 s SER 179 Cb -0.10 0.13 -0.00 0.00 -1.71 0.00 0.00 66.02 64.34 3m44 s SER 179 CO 0.07 -0.14 1.95 -2.65 1.20 0.00 0.00 173.24 173.66 3m44 n PRO 180 N 2.46 0.98 0.00 5.44 -0.02 -1.26 -0.74 135.00 141.86 3m44 n PRO 180 Ca -0.17 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3m44 n PRO 180 Cb 0.58 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 3m44 n PRO 180 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3m44 n THR 192 N 1.52 0.00 1.66 3.45 -1.04 -1.26 -4.41 114.28 114.20 3m44 n THR 192 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 3m44 n THR 192 Cb 0.49 0.00 0.80 0.00 -1.82 0.00 0.00 70.33 69.80 3m44 n THR 192 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3m44 n LEU 193 N 0.00 0.00 0.23 -4.42 4.77 -1.26 -0.82 117.00 115.50 3m44 n LEU 193 Ca 0.00 0.05 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 3m44 n LEU 193 Cb 0.00 -0.05 0.50 0.00 -2.33 0.00 0.00 43.42 41.54 3m44 n LEU 193 CO 0.00 -0.01 0.92 0.03 -1.33 0.00 0.00 177.39 177.00 3m44 h ARG 194 N 0.00 0.00 0.00 3.23 3.08 -2.03 -3.39 114.38 115.27 3m44 h ARG 194 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m44 h ARG 194 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3m44 h ARG 194 CO 0.00 0.00 -0.97 1.19 -1.07 0.00 0.00 179.97 179.12 3m44 n PHE 195 N -2.92 0.00 -3.27 3.04 3.01 -0.73 -5.05 117.46 111.54 3m44 n PHE 195 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.15 3m44 n PHE 195 Cb 0.36 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.78 3m44 n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m44 s ALA 196 N -1.97 3.46 -0.04 4.37 0.00 -0.00 -4.85 121.76 122.72 3m44 s ALA 196 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 51.96 52.00 3m44 s ALA 196 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 3m44 s ALA 196 CO 0.00 0.41 1.24 -0.44 0.00 0.00 0.00 175.76 176.97 3m44 h ASP 197 N 2.73 0.00 -5.03 0.00 3.32 -0.43 -3.40 116.42 113.60 3m44 h ASP 197 Ca -0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.47 3m44 h ASP 197 Cb 1.18 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.55 3m44 h ASP 197 CO 0.67 0.74 -0.29 0.00 -1.72 0.00 0.00 179.24 178.63 3m44 s ALA 198 N -2.83 -0.65 0.20 3.45 0.00 -1.15 -4.73 121.76 116.04 3m44 s ALA 198 Ca 0.01 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.12 3m44 s ALA 198 Cb 0.09 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3m44 s ALA 198 CO 0.79 -0.34 0.02 0.96 0.00 0.00 0.00 175.76 177.18 3m44 s ILE 199 N -2.08 3.71 -0.16 0.00 -4.36 -0.32 -2.00 121.20 116.00 3m44 s ILE 199 Ca -0.08 -1.55 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 3m44 s ILE 199 Cb -0.03 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.76 3m44 s ILE 199 CO -0.01 -0.20 -0.10 -0.63 0.24 0.00 0.00 174.94 174.25 3m44 s ILE 200 N -1.92 3.22 -0.08 8.37 1.01 0.08 -0.20 121.20 131.69 3m44 s ILE 200 Ca 0.29 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3m44 s ILE 200 Cb -0.08 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3m44 s ILE 200 CO 0.19 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.41 3m44 s ALA 201 N 0.71 2.28 0.00 9.38 0.00 -0.02 -4.58 121.76 129.52 3m44 s ALA 201 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3m44 s ALA 201 Cb -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3m44 s ALA 201 CO 0.02 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.57 3m44 n GLY 202 N 3.09 0.60 0.37 0.00 0.00 -1.26 -0.78 105.19 107.21 3m44 n GLY 202 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.86 3m44 n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3m44 h ARG 203 N 0.00 1.14 -0.35 1.61 3.08 -1.96 0.07 114.38 117.96 3m44 h ARG 203 Ca 0.00 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.08 3m44 h ARG 203 Cb 0.00 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3m44 h ARG 203 CO 0.00 0.75 0.57 0.77 -1.07 0.00 0.00 179.97 181.00 3m44 h SER 204 N 1.17 0.00 0.00 7.04 0.02 -1.96 -1.76 113.55 118.06 3m44 h SER 204 Ca 0.38 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3m44 h SER 204 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3m44 h SER 204 CO -0.12 0.00 -0.96 -0.38 -1.14 0.00 0.00 176.83 174.23 3m44 n ILE 205 N -3.31 1.23 0.64 3.27 5.41 -0.43 -4.40 119.36 121.77 3m44 n ILE 205 Ca 0.06 0.11 0.10 0.00 1.00 0.00 0.00 62.75 64.03 3m44 n ILE 205 Cb 0.72 -1.93 0.44 0.00 -0.71 0.00 0.00 39.64 38.16 3m44 n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3m44 n TYR 206 N -3.94 0.22 0.51 1.39 0.18 -0.12 -1.64 117.16 113.76 3m44 n TYR 206 Ca -0.15 0.08 0.08 0.00 1.88 0.00 0.00 57.90 59.79 3m44 n TYR 206 Cb 0.42 -0.63 0.10 0.00 -0.38 0.00 0.00 39.34 38.86 3m44 n TYR 206 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3m44 n LEU 207 N -1.69 2.58 -4.80 -3.48 4.77 -0.67 -5.01 117.00 108.70 3m44 n LEU 207 Ca 0.04 -1.19 -0.34 0.00 -0.03 0.00 0.00 56.01 54.50 3m44 n LEU 207 Cb 0.25 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3m44 n LEU 207 CO 0.20 0.50 0.73 0.00 -1.33 0.00 0.00 177.39 177.49 3m44 s ALA 208 N -1.32 2.77 0.15 -1.18 0.00 -0.65 -4.96 121.76 116.57 3m44 s ALA 208 Ca 0.22 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 3m44 s ALA 208 Cb 0.15 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3m44 s ALA 208 CO 0.21 -0.64 1.62 -0.44 0.00 0.00 0.00 175.76 176.51 3m44 h ASP 209 N 0.94 -0.90 -3.50 0.00 3.32 -1.94 -3.33 116.42 111.00 3m44 h ASP 209 Ca -0.48 0.15 -0.61 0.00 0.02 0.00 0.00 57.03 56.11 3m44 h ASP 209 Cb 1.23 0.41 -0.39 0.00 0.22 0.00 0.00 39.33 40.80 3m44 h ASP 209 CO 0.58 -0.31 -0.76 0.54 -1.72 0.00 0.00 179.24 177.56 3m44 s ASN 210 N -5.00 4.01 0.28 6.45 4.22 -1.26 -5.02 114.94 118.62 3m44 s ASN 210 Ca -0.15 -1.46 0.01 0.00 -2.14 0.00 0.00 52.86 49.12 3m44 s ASN 210 Cb 0.12 -1.15 0.60 0.00 1.28 0.00 0.00 41.25 42.10 3m44 s ASN 210 CO 0.67 -0.31 1.76 -0.65 -2.04 0.00 0.00 177.10 176.53 3m44 h PRO 211 N 7.94 0.62 -0.72 3.55 0.11 -1.74 -1.36 132.00 140.40 3m44 h PRO 211 Ca -0.14 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.02 3m44 h PRO 211 Cb 1.05 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.95 3m44 h PRO 211 CO 0.44 0.41 0.38 0.00 -0.21 0.00 0.00 178.00 179.03 3m44 h ALA 212 N 1.59 0.99 -0.38 -0.75 0.00 -1.90 0.68 119.26 119.50 3m44 h ALA 212 Ca 0.50 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.31 3m44 h ALA 212 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3m44 h ALA 212 CO -0.38 0.01 -0.32 0.00 0.00 0.00 0.00 179.25 178.56 3m44 h ALA 213 N 1.41 0.54 -0.08 0.00 0.00 -1.64 -2.04 119.26 117.45 3m44 h ALA 213 Ca 0.34 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3m44 h ALA 213 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3m44 h ALA 213 CO -0.24 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.50 3m44 h ALA 214 N 0.77 -0.05 -0.30 0.00 0.00 -0.57 0.20 119.26 119.32 3m44 h ALA 214 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3m44 h ALA 214 Cb 0.90 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3m44 h ALA 214 CO 0.08 -0.57 0.09 0.00 0.00 0.00 0.00 179.25 178.84 3m44 h ALA 215 N 0.91 0.33 -0.81 0.00 0.00 -0.90 -1.89 119.26 116.90 3m44 h ALA 215 Ca 0.07 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.14 3m44 h ALA 215 Cb 0.24 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3m44 h ALA 215 CO -0.17 -0.32 0.42 0.00 0.00 0.00 0.00 179.25 179.18 3m44 h ALA 216 N 1.20 1.17 0.21 0.00 0.00 -0.84 -1.39 119.26 119.60 3m44 h ALA 216 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3m44 h ALA 216 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3m44 h ALA 216 CO -0.15 -0.04 -0.10 0.78 0.00 0.00 0.00 179.25 179.74 3m44 h GLY 217 N 0.65 -0.29 0.66 0.00 0.00 -0.29 -1.92 103.07 101.88 3m44 h GLY 217 Ca 0.42 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.93 3m44 h GLY 217 CO -0.31 -0.11 0.47 -2.22 0.00 0.00 0.00 176.54 174.37 3m44 h ILE 218 N -0.38 0.98 -1.01 2.60 2.04 -0.99 -1.84 117.51 118.91 3m44 h ILE 218 Ca -0.03 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3m44 h ILE 218 Cb 0.29 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 3m44 h ILE 218 CO 0.05 0.15 0.67 0.40 0.00 0.00 0.00 178.15 179.42 3m44 h ILE 219 N 0.84 1.25 -0.65 -0.67 2.04 -1.09 -1.86 117.51 117.37 3m44 h ILE 219 Ca 0.36 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3m44 h ILE 219 Cb 0.23 -0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 3m44 h ILE 219 CO -0.20 0.25 0.24 -0.33 0.00 0.00 0.00 178.15 178.11 3m44 h GLU 220 N 1.36 0.96 0.00 2.37 4.39 -0.53 -1.31 114.58 121.82 3m44 h GLU 220 Ca 0.37 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 3m44 h GLU 220 Cb -0.14 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.34 3m44 h GLU 220 CO -0.08 0.80 -0.14 0.77 -1.16 0.00 0.00 179.01 179.20 3m44 h SER 221 N 0.94 0.00 -0.47 1.42 0.02 -0.90 -3.07 113.55 111.51 3m44 h SER 221 Ca 0.22 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.60 3m44 h SER 221 Cb 0.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3m44 h SER 221 CO -0.02 0.14 2.14 -0.38 -1.14 0.00 0.00 176.83 177.57 3m44 n ILE 222 N -4.01 4.18 -0.72 3.27 5.41 -0.50 -5.12 119.36 121.88 3m44 n ILE 222 Ca -0.02 -2.91 0.00 0.00 1.00 0.00 0.00 62.75 60.82 3m44 n ILE 222 Cb 0.22 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 36.95 3m44 n ILE 222 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84