#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i43 s ALA 51 N 0.00 1.76 0.23 2.98 0.00 -1.26 -5.05 121.76 120.41 1i43 s ALA 51 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1i43 s ALA 51 Cb 0.00 -0.29 0.23 0.00 0.00 0.00 0.00 23.12 23.06 1i43 s ALA 51 CO 0.00 0.37 1.57 0.66 0.00 0.00 0.00 175.76 178.37 1i43 h SER 52 N 4.52 0.46 0.24 0.00 4.64 -2.06 -2.89 113.55 118.46 1i43 h SER 52 Ca -0.44 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1i43 h SER 52 Cb 1.17 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1i43 h SER 52 CO 0.42 0.89 -0.01 2.22 -0.87 0.00 0.00 176.83 179.48 1i43 n PHE 53 N -3.97 0.00 -3.87 4.77 1.16 -1.26 -4.50 117.46 109.80 1i43 n PHE 53 Ca -0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.21 1i43 n PHE 53 Cb 0.56 -0.12 -0.13 0.00 -1.61 0.00 0.00 39.48 38.19 1i43 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i43 s LEU 54 N -2.25 4.69 0.00 5.98 1.43 -1.09 -4.92 118.68 122.52 1i43 s LEU 54 Ca 0.39 -1.79 0.06 0.00 -1.03 0.00 0.00 54.13 51.77 1i43 s LEU 54 Cb 0.21 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.76 1i43 s LEU 54 CO 0.41 -0.42 0.81 0.59 0.23 0.00 0.00 176.35 177.97 1i43 n ASN 55 N 4.54 1.77 -4.49 2.29 3.02 -1.26 -4.59 115.26 116.55 1i43 n ASN 55 Ca -0.05 -1.44 -0.32 0.00 -0.03 0.00 0.00 54.58 52.74 1i43 n ASN 55 Cb 0.42 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.44 1i43 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i43 s SER 56 N -0.65 4.02 0.23 6.41 0.15 -1.26 -5.03 113.70 117.57 1i43 s SER 56 Ca 0.09 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 1i43 s SER 56 Cb 0.06 -0.77 0.32 0.00 -1.71 0.00 0.00 66.02 63.91 1i43 s SER 56 CO 0.08 0.29 1.80 0.44 1.20 0.00 0.00 173.24 177.06 1i43 h ASP 57 N 4.81 0.59 -0.15 5.45 3.32 -1.99 -1.88 116.42 126.56 1i43 h ASP 57 Ca -0.47 0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.64 1i43 h ASP 57 Cb 1.16 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1i43 h ASP 57 CO 0.50 0.36 0.04 1.23 -1.72 0.00 0.00 179.24 179.64 1i43 h GLY 58 N 0.72 0.18 0.89 2.75 0.00 -1.98 0.60 103.07 106.22 1i43 h GLY 58 Ca 0.35 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1i43 h GLY 58 CO -0.22 0.01 0.65 1.76 0.00 0.00 0.00 176.54 178.75 1i43 h SER 59 N 0.11 1.09 0.44 0.19 0.02 -1.89 -2.79 113.55 110.73 1i43 h SER 59 Ca 0.07 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1i43 h SER 59 Cb 0.05 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1i43 h SER 59 CO -0.08 0.75 -0.21 0.58 -1.14 0.00 0.00 176.83 176.73 1i43 h VAL 60 N 1.27 0.54 0.00 2.27 2.07 -0.78 -1.54 116.25 120.09 1i43 h VAL 60 Ca 0.40 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1i43 h VAL 60 Cb -0.01 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1i43 h VAL 60 CO -0.12 0.05 0.37 0.00 0.02 0.00 0.00 177.57 177.89 1i43 h ALA 61 N -0.29 1.26 0.00 1.67 0.00 -0.64 0.64 119.26 121.91 1i43 h ALA 61 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1i43 h ALA 61 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1i43 h ALA 61 CO 0.10 -0.26 -0.96 -0.89 0.00 0.00 0.00 179.25 177.24 1i43 n ILE 62 N -2.11 1.48 1.12 0.00 5.41 -0.94 -4.19 119.36 120.13 1i43 n ILE 62 Ca -0.01 0.12 0.12 0.00 1.00 0.00 0.00 62.75 63.98 1i43 n ILE 62 Cb 0.39 -2.32 0.20 0.00 -0.71 0.00 0.00 39.64 37.20 1i43 n ILE 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1i43 n HIS 63 N -4.50 0.00 -1.75 1.39 8.25 -0.62 -4.87 115.22 113.12 1i43 n HIS 63 Ca -0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.88 1i43 n HIS 63 Cb 0.47 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 1i43 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i43 s ALA 64 N -2.59 3.20 0.00 -1.41 0.00 0.22 -1.76 121.76 119.41 1i43 s ALA 64 Ca 0.20 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1i43 s ALA 64 Cb 0.18 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1i43 s ALA 64 CO 0.59 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1i43 n GLY 65 N 5.00 0.66 2.06 0.00 0.00 -1.26 -4.01 105.19 107.64 1i43 n GLY 65 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1i43 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i43 n GLU 66 N -2.58 0.00 -0.36 1.61 1.02 -0.72 -4.67 120.64 114.94 1i43 n GLU 66 Ca 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 57.16 57.50 1i43 n GLU 66 Cb 0.00 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.15 1i43 n GLU 66 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i43 h ARG 67 N 0.00 0.04 0.00 3.49 9.65 -1.78 -0.85 114.38 124.93 1i43 h ARG 67 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1i43 h ARG 67 Cb 0.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1i43 h ARG 67 CO 0.00 0.03 -1.80 1.28 2.80 0.00 0.00 179.97 182.27 1i43 n LEU 68 N -4.22 0.19 0.00 3.80 4.77 -1.26 -5.07 117.00 115.20 1i43 n LEU 68 Ca 0.27 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1i43 n LEU 68 Cb 1.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.37 1i43 n LEU 68 CO 0.39 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1i43 n GLY 69 N 1.31 1.31 0.00 -0.72 0.00 -0.33 -5.07 105.19 101.70 1i43 n GLY 69 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1i43 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i43 n ARG 70 N -0.88 3.67 0.00 1.61 1.74 -1.26 -3.48 116.66 118.05 1i43 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1i43 n ARG 70 Cb 0.00 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 1i43 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i43 n GLY 71 N 0.00 3.07 2.94 -0.13 0.00 -1.26 -4.88 105.19 104.93 1i43 n GLY 71 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1i43 n GLY 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1i43 s ILE 72 N -1.82 2.80 0.21 -0.61 -1.16 -1.26 -5.09 121.20 114.27 1i43 s ILE 72 Ca 0.00 -3.76 -0.32 0.00 -0.51 0.00 0.00 60.65 56.07 1i43 s ILE 72 Cb 0.00 -2.89 -0.15 0.00 0.61 0.00 0.00 42.46 40.04 1i43 s ILE 72 CO 0.00 -0.90 1.27 0.52 -2.81 0.00 0.00 174.94 173.02 1i43 n VAL 73 N 2.59 0.98 -3.54 4.00 0.31 -1.26 -4.95 118.33 116.46 1i43 n VAL 73 Ca 0.12 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 1i43 n VAL 73 Cb 0.34 -1.15 -0.04 0.00 -0.91 0.00 0.00 33.84 32.08 1i43 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i43 s THR 74 N -0.17 0.00 -0.58 2.52 -4.23 -1.26 -5.01 115.64 106.91 1i43 s THR 74 Ca 0.70 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.36 1i43 s THR 74 Cb -0.75 -1.00 0.77 0.00 1.34 0.00 0.00 72.50 72.86 1i43 s THR 74 CO 0.51 0.00 1.69 -0.90 -0.54 0.00 0.00 174.62 175.38 1i43 n ASP 75 N 0.28 5.31 -4.85 3.99 5.75 -1.26 -4.93 116.55 120.85 1i43 n ASP 75 Ca -0.10 -2.74 -0.35 0.00 -0.01 0.00 0.00 54.79 51.59 1i43 n ASP 75 Cb 0.60 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 1i43 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i43 s ALA 76 N -2.41 3.58 0.10 2.12 0.00 -1.26 -5.01 121.76 118.88 1i43 s ALA 76 Ca 0.52 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 1i43 s ALA 76 Cb 0.38 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.94 1i43 s ALA 76 CO 0.19 0.47 1.52 0.82 0.00 0.00 0.00 175.76 178.76 1i43 h ILE 77 N 2.65 1.27 -2.82 0.00 2.04 -2.03 -3.45 117.51 115.16 1i43 h ILE 77 Ca -0.48 -0.99 -0.45 0.00 1.00 0.00 0.00 64.86 63.93 1i43 h ILE 77 Cb 1.19 1.32 0.08 0.00 -0.74 0.00 0.00 36.82 38.66 1i43 h ILE 77 CO 0.66 0.32 0.12 0.42 0.00 0.00 0.00 178.15 179.67 1i43 s THR 78 N -4.92 2.32 0.06 -0.27 -4.23 -1.26 -4.97 115.64 102.37 1i43 s THR 78 Ca -0.13 -0.49 -0.23 0.00 -1.18 0.00 0.00 61.69 59.66 1i43 s THR 78 Cb 0.08 -2.83 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 1i43 s THR 78 CO 0.77 0.00 0.68 -0.89 -0.54 0.00 0.00 174.62 174.64 1i43 s THR 79 N -3.11 4.72 0.12 3.99 2.01 -1.26 -5.05 115.64 117.06 1i43 s THR 79 Ca 0.63 1.46 -0.28 0.00 0.31 0.00 0.00 61.69 63.81 1i43 s THR 79 Cb -0.08 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 1i43 s THR 79 CO 0.43 0.44 0.87 -2.16 -0.69 0.00 0.00 174.62 173.51 1i43 s PRO 80 N -0.45 4.65 -0.18 4.92 0.05 -1.26 -5.03 135.00 137.70 1i43 s PRO 80 Ca 0.34 1.30 -0.28 0.00 0.05 0.00 0.00 61.00 62.42 1i43 s PRO 80 Cb -0.20 -3.34 -0.00 0.00 0.05 0.00 0.00 34.50 31.01 1i43 s PRO 80 CO 0.21 0.35 0.97 0.08 0.05 0.00 0.00 177.00 178.65 1i43 s VAL 81 N -0.41 4.77 -0.50 -0.36 1.01 -1.26 -4.45 120.40 119.21 1i43 s VAL 81 Ca 0.42 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 64.19 1i43 s VAL 81 Cb -0.23 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.02 1i43 s VAL 81 CO 0.28 -0.07 0.40 -0.69 0.00 0.00 0.00 175.10 175.02 1i43 s VAL 82 N 2.55 4.55 -1.20 2.92 1.01 -1.26 -5.00 120.40 123.96 1i43 s VAL 82 Ca 0.43 -1.70 -0.13 0.00 0.00 0.00 0.00 61.98 60.58 1i43 s VAL 82 Cb -0.16 -3.96 0.18 0.00 0.00 0.00 0.00 36.38 32.44 1i43 s VAL 82 CO 0.11 -0.81 1.41 0.59 0.00 0.00 0.00 175.10 176.41 1i43 n ASN 83 N 5.01 5.26 -4.08 3.32 3.02 -1.26 -4.77 115.26 121.76 1i43 n ASN 83 Ca -0.10 -2.99 -0.16 0.00 -0.03 0.00 0.00 54.58 51.30 1i43 n ASN 83 Cb 0.40 -1.55 -0.12 0.00 -0.61 0.00 0.00 39.78 37.90 1i43 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i43 s THR 84 N 1.20 0.74 -0.11 3.41 -1.32 -1.26 -5.03 115.64 113.26 1i43 s THR 84 Ca 0.41 -0.94 0.20 0.00 -1.21 0.00 0.00 61.69 60.16 1i43 s THR 84 Cb -0.03 -0.72 -0.24 0.00 -1.51 0.00 0.00 72.50 69.99 1i43 s THR 84 CO -0.01 -0.18 0.50 -1.54 -2.21 0.00 0.00 174.62 171.19 1i43 n SER 85 N 1.81 0.25 -3.62 8.08 3.41 -1.26 -4.73 113.62 117.56 1i43 n SER 85 Ca -0.20 0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.38 1i43 n SER 85 Cb 0.55 1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 65.68 1i43 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i43 s ALA 86 N -3.14 0.92 -0.02 7.33 0.00 -1.26 -1.10 121.76 124.49 1i43 s ALA 86 Ca -0.07 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.34 1i43 s ALA 86 Cb 0.11 1.27 0.01 0.00 0.00 0.00 0.00 23.12 24.50 1i43 s ALA 86 CO 0.86 -0.73 -0.07 0.71 0.00 0.00 0.00 175.76 176.53 1i43 s TYR 87 N -3.56 0.79 0.53 0.00 1.51 -0.52 -4.86 117.35 111.24 1i43 s TYR 87 Ca 0.33 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1i43 s TYR 87 Cb 0.02 -0.58 0.03 0.00 -0.11 0.00 0.00 41.96 41.32 1i43 s TYR 87 CO 0.18 -0.09 0.74 -0.59 -1.11 0.00 0.00 175.55 174.68 1i43 s PHE 88 N 0.27 2.87 0.02 2.71 -0.12 -1.26 -4.75 117.98 117.71 1i43 s PHE 88 Ca -0.04 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 56.84 1i43 s PHE 88 Cb -0.08 -2.68 -0.02 0.00 -0.63 0.00 0.00 43.02 39.61 1i43 s PHE 88 CO 0.00 -0.79 -0.15 -0.06 -0.05 0.00 0.00 175.22 174.17 1i43 s PHE 89 N -2.70 1.32 0.27 3.49 0.40 -1.26 -5.06 117.98 114.44 1i43 s PHE 89 Ca 0.57 -0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.59 1i43 s PHE 89 Cb -0.10 -0.81 0.38 0.00 0.51 0.00 0.00 43.02 43.00 1i43 s PHE 89 CO 0.38 0.01 1.76 -0.91 0.70 0.00 0.00 175.22 177.16 1i43 h ASN 90 N 5.33 0.65 -4.88 1.36 2.35 -2.00 -3.46 115.58 114.94 1i43 h ASN 90 Ca -0.37 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.14 1i43 h ASN 90 Cb 1.17 -0.17 -0.19 0.00 0.05 0.00 0.00 38.32 39.17 1i43 h ASN 90 CO 0.46 0.78 0.13 -1.59 -1.65 0.00 0.00 177.43 175.56 1i43 s LYS 91 N -4.83 0.99 0.55 0.81 -2.85 -1.26 -5.03 119.74 108.12 1i43 s LYS 91 Ca -0.08 0.30 0.42 0.00 -1.00 0.00 0.00 55.97 55.60 1i43 s LYS 91 Cb 0.14 0.47 1.62 0.00 -2.06 0.00 0.00 37.83 38.01 1i43 s LYS 91 CO 0.80 -0.29 1.71 1.15 0.10 0.00 0.00 175.35 178.83 1i43 h THR 92 N 3.21 0.25 0.39 3.79 2.02 -2.00 0.11 112.91 120.69 1i43 h THR 92 Ca -0.27 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1i43 h THR 92 Cb 1.15 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1i43 h THR 92 CO 0.35 0.00 -0.23 -1.28 0.37 0.00 0.00 175.52 174.74 1i43 h SER 93 N 0.00 -0.57 -0.30 4.18 0.87 -2.00 -1.78 113.55 113.96 1i43 h SER 93 Ca 0.71 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 61.29 1i43 h SER 93 Cb 2.86 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 64.97 1i43 h SER 93 CO -0.01 -0.37 0.14 -0.33 -0.53 0.00 0.00 176.83 175.72 1i43 h GLU 94 N -0.59 0.50 -0.28 2.24 5.08 -1.20 -1.29 114.58 119.04 1i43 h GLU 94 Ca -0.04 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1i43 h GLU 94 Cb 0.48 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1i43 h GLU 94 CO 0.05 0.43 0.12 1.25 -1.00 0.00 0.00 179.01 179.86 1i43 h LEU 95 N 0.50 0.17 -0.52 1.33 5.85 -1.03 0.08 115.31 121.68 1i43 h LEU 95 Ca 0.12 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1i43 h LEU 95 Cb 0.12 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1i43 h LEU 95 CO -0.01 0.13 0.29 0.40 -0.34 0.00 0.00 178.44 178.91 1i43 h ILE 96 N 0.27 1.18 -0.32 4.05 2.04 -0.66 -0.89 117.51 123.17 1i43 h ILE 96 Ca 0.12 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.60 1i43 h ILE 96 Cb 0.06 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 1i43 h ILE 96 CO -0.10 0.19 -0.23 0.44 0.00 0.00 0.00 178.15 178.45 1i43 h ASP 97 N 0.70 -0.75 -0.54 1.72 3.32 -0.42 0.31 116.42 120.77 1i43 h ASP 97 Ca 0.18 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.39 1i43 h ASP 97 Cb 0.04 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1i43 h ASP 97 CO -0.03 -0.26 0.35 0.15 -1.72 0.00 0.00 179.24 177.73 1i43 h PHE 98 N -0.20 0.67 0.00 4.55 3.57 -0.67 0.68 116.94 125.54 1i43 h PHE 98 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1i43 h PHE 98 Cb 0.45 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1i43 h PHE 98 CO -0.42 0.42 -0.07 0.87 -2.23 0.00 0.00 178.31 176.87 1i43 h LYS 99 N 0.72 0.00 -0.60 1.11 1.79 0.24 -1.69 116.57 118.14 1i43 h LYS 99 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1i43 h LYS 99 Cb -0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1i43 h LYS 99 CO -0.05 0.07 0.00 0.39 -1.08 0.00 0.00 179.45 178.79 1i43 n GLU 100 N -4.06 4.75 -2.21 3.15 1.02 0.96 -4.94 120.64 119.31 1i43 n GLU 100 Ca -0.03 -3.04 -0.19 0.00 -0.02 0.00 0.00 57.16 53.89 1i43 n GLU 100 Cb 0.16 -2.24 -0.02 0.00 -0.02 0.00 0.00 31.44 29.32 1i43 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i43 n LYS 101 N 0.62 -1.47 -0.00 3.49 4.01 -0.64 -4.88 118.16 119.29 1i43 n LYS 101 Ca 0.27 0.95 0.08 0.00 -0.51 0.00 0.00 58.31 59.11 1i43 n LYS 101 Cb 1.16 -5.46 -0.10 0.00 -0.51 0.00 0.00 35.03 30.12 1i43 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i43 n ARG 102 N -2.74 1.10 -4.06 1.97 1.74 0.15 -4.98 116.66 109.84 1i43 n ARG 102 Ca -0.22 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.78 1i43 n ARG 102 Cb 0.66 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 1i43 n ARG 102 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i43 s ARG 103 N -2.70 0.53 -0.05 5.56 3.52 -1.20 -4.88 118.95 119.73 1i43 s ARG 103 Ca 0.06 -1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 54.62 1i43 s ARG 103 Cb 0.13 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 1i43 s ARG 103 CO 0.73 -0.08 0.11 0.00 -0.81 0.00 0.00 175.30 175.25 1i43 s ALA 104 N -3.02 3.70 -0.26 6.12 0.00 -1.26 -4.44 121.76 122.60 1i43 s ALA 104 Ca -0.01 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1i43 s ALA 104 Cb 0.01 -1.73 0.18 0.00 0.00 0.00 0.00 23.12 21.58 1i43 s ALA 104 CO -0.06 0.67 1.27 0.45 0.00 0.00 0.00 175.76 178.09 1i43 s SER 105 N -1.48 -0.12 0.12 0.00 0.15 -1.26 -5.01 113.70 106.10 1i43 s SER 105 Ca 0.20 0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.23 1i43 s SER 105 Cb -0.12 0.10 0.41 0.00 -1.71 0.00 0.00 66.02 64.70 1i43 s SER 105 CO 0.11 -0.11 1.38 0.49 1.20 0.00 0.00 173.24 176.31 1i43 n PHE 106 N 0.60 0.58 0.00 3.44 3.72 -1.26 -4.93 117.46 119.60 1i43 n PHE 106 Ca -0.03 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1i43 n PHE 106 Cb 0.59 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1i43 n PHE 106 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1i43 n GLU 107 N -2.10 0.00 -4.35 -1.08 2.13 -1.26 -4.52 120.64 109.46 1i43 n GLU 107 Ca 0.04 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.61 1i43 n GLU 107 Cb 0.43 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.02 1i43 n GLU 107 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i43 s TYR 108 N 0.00 1.98 0.56 4.31 5.04 -1.26 -1.43 117.35 126.55 1i43 s TYR 108 Ca 0.00 -0.42 0.32 0.00 -2.44 0.00 0.00 57.07 54.54 1i43 s TYR 108 Cb 0.00 -1.03 1.87 0.00 0.35 0.00 0.00 41.96 43.15 1i43 s TYR 108 CO 0.00 0.33 2.24 0.78 -1.34 0.00 0.00 175.55 177.56 1i43 h GLY 109 N 3.57 0.00 1.72 8.97 0.00 -1.33 -1.58 103.07 114.42 1i43 h GLY 109 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1i43 h GLY 109 CO 0.45 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.86 1i43 n ARG 110 N -3.63 0.23 -0.12 4.80 0.63 -1.26 -3.11 116.66 114.20 1i43 n ARG 110 Ca -0.03 0.06 0.06 0.00 -0.92 0.00 0.00 57.85 57.02 1i43 n ARG 110 Cb 0.11 -1.50 0.12 0.00 0.45 0.00 0.00 32.46 31.65 1i43 n ARG 110 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1i43 n TYR 111 N -1.36 0.32 0.00 -0.14 4.01 -0.60 -4.70 117.16 114.69 1i43 n TYR 111 Ca 0.10 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1i43 n TYR 111 Cb 0.23 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1i43 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i43 n GLY 112 N 0.58 2.95 3.64 2.72 0.00 -1.18 -4.92 105.19 108.97 1i43 n GLY 112 Ca 0.10 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1i43 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i43 s ASN 113 N 0.00 -0.71 0.19 1.61 3.84 -1.26 -4.47 114.94 114.14 1i43 s ASN 113 Ca 0.00 1.26 -0.13 0.00 0.21 0.00 0.00 52.86 54.21 1i43 s ASN 113 Cb 0.00 1.29 0.21 0.00 -0.55 0.00 0.00 41.25 42.20 1i43 s ASN 113 CO 0.00 -0.21 1.69 1.55 -2.79 0.00 0.00 177.10 177.34 1i43 h PRO 114 N 5.51 0.16 0.00 0.43 0.13 -1.96 -0.07 132.00 136.19 1i43 h PRO 114 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1i43 h PRO 114 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1i43 h PRO 114 CO 0.11 0.10 0.00 -2.37 -0.23 0.00 0.00 178.00 175.61 1i43 n THR 115 N -5.19 0.25 -0.11 1.56 5.66 -1.26 -3.34 114.28 111.85 1i43 n THR 115 Ca 0.06 0.06 -0.21 0.00 -3.05 0.00 0.00 64.05 60.91 1i43 n THR 115 Cb 0.28 -0.68 -0.12 0.00 -1.55 0.00 0.00 70.33 68.26 1i43 n THR 115 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i43 n THR 116 N -1.26 1.55 0.03 1.09 -1.04 -0.19 -4.33 114.28 110.13 1i43 n THR 116 Ca 0.12 -0.52 0.11 0.00 -2.04 0.00 0.00 64.05 61.71 1i43 n THR 116 Cb 0.17 -1.59 0.55 0.00 -1.82 0.00 0.00 70.33 67.65 1i43 n THR 116 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1i43 h VAL 117 N -0.22 0.93 -0.46 12.58 -1.51 -1.14 -0.60 116.25 125.82 1i43 h VAL 117 Ca -0.56 -0.09 0.04 0.00 -1.23 0.00 0.00 66.70 64.86 1i43 h VAL 117 Cb 1.84 0.64 -0.04 0.00 -2.13 0.00 0.00 31.29 31.60 1i43 h VAL 117 CO -0.13 0.05 0.22 0.58 -1.23 0.00 0.00 177.57 177.06 1i43 h VAL 118 N 0.26 0.94 -0.02 7.19 2.07 -1.75 0.39 116.25 125.34 1i43 h VAL 118 Ca 0.18 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1i43 h VAL 118 Cb 0.39 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1i43 h VAL 118 CO -0.04 0.08 -0.36 0.25 0.02 0.00 0.00 177.57 177.53 1i43 h LEU 119 N 0.43 0.03 -0.03 2.57 5.85 -1.34 0.20 115.31 123.03 1i43 h LEU 119 Ca 0.20 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1i43 h LEU 119 Cb 0.13 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1i43 h LEU 119 CO -0.16 0.39 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.00 1i43 h GLU 120 N 0.03 0.05 -0.53 1.25 5.08 -0.19 -2.02 114.58 118.25 1i43 h GLU 120 Ca 0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1i43 h GLU 120 Cb 0.65 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1i43 h GLU 120 CO 0.05 0.37 0.07 0.93 -1.00 0.00 0.00 179.01 179.43 1i43 h GLU 121 N -0.28 0.90 0.07 2.33 5.08 -0.05 -1.39 114.58 121.25 1i43 h GLU 121 Ca 0.01 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1i43 h GLU 121 Cb 0.35 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1i43 h GLU 121 CO 0.00 0.89 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.35 1i43 h LYS 122 N 0.78 -0.50 -0.13 2.33 3.64 -0.55 -0.34 116.57 121.79 1i43 h LYS 122 Ca 0.16 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1i43 h LYS 122 Cb 0.44 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1i43 h LYS 122 CO 0.01 -0.34 -0.23 0.82 -2.27 0.00 0.00 179.45 177.45 1i43 h ILE 123 N -0.52 1.22 -0.50 2.00 2.04 -1.34 -2.32 117.51 118.09 1i43 h ILE 123 Ca 0.04 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 1i43 h ILE 123 Cb 0.58 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1i43 h ILE 123 CO -0.23 0.32 0.19 0.28 0.00 0.00 0.00 178.15 178.71 1i43 h SER 124 N 0.21 0.67 -0.15 1.72 0.02 -0.45 -1.92 113.55 113.65 1i43 h SER 124 Ca 0.04 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1i43 h SER 124 Cb 0.53 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1i43 h SER 124 CO 0.04 0.61 -0.21 0.00 -1.14 0.00 0.00 176.83 176.13 1i43 h ALA 125 N 1.48 0.22 -0.30 3.77 0.00 -0.54 0.26 119.26 124.16 1i43 h ALA 125 Ca 0.17 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1i43 h ALA 125 Cb 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1i43 h ALA 125 CO -0.01 0.17 0.12 -0.07 0.00 0.00 0.00 179.25 179.46 1i43 h LEU 126 N 0.02 0.15 -0.00 0.00 3.38 -1.23 -1.45 115.31 116.18 1i43 h LEU 126 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i43 h LEU 126 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1i43 h LEU 126 CO 0.05 0.12 -0.00 -0.62 0.09 0.00 0.00 178.44 178.08 1i43 n GLU 127 N -5.00 0.17 -2.36 1.13 -0.58 -0.74 -4.89 120.64 108.35 1i43 n GLU 127 Ca -0.00 -0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1i43 n GLU 127 Cb 0.10 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1i43 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i43 n GLY 128 N 1.42 -0.22 3.93 0.62 0.00 -0.38 -4.74 105.19 105.82 1i43 n GLY 128 Ca 0.10 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1i43 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i43 s ALA 129 N -2.77 3.34 0.05 4.61 0.00 0.76 -5.01 121.76 122.74 1i43 s ALA 129 Ca 0.04 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.18 1i43 s ALA 129 Cb -0.02 -2.51 -0.23 0.00 0.00 0.00 0.00 23.12 20.37 1i43 s ALA 129 CO 0.04 -0.99 1.01 1.49 0.00 0.00 0.00 175.76 177.31 1i43 h GLU 130 N -0.30 0.03 -1.71 0.00 4.81 -1.81 -3.43 114.58 112.17 1i43 h GLU 130 Ca -0.45 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1i43 h GLU 130 Cb 1.29 0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.46 1i43 h GLU 130 CO 0.59 0.83 0.41 0.45 -0.73 0.00 0.00 179.01 180.57 1i43 s SER 131 N -6.52 -0.48 0.00 1.04 0.15 -0.89 -4.79 113.70 102.21 1i43 s SER 131 Ca -0.02 0.61 0.05 0.00 0.70 0.00 0.00 55.95 57.28 1i43 s SER 131 Cb 0.09 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 1i43 s SER 131 CO 0.83 -0.39 -0.15 -0.89 1.20 0.00 0.00 173.24 173.84 1i43 s THR 132 N -0.88 1.18 -0.06 6.45 2.01 -1.26 -1.63 115.64 121.45 1i43 s THR 132 Ca -0.04 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.26 1i43 s THR 132 Cb -0.01 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1i43 s THR 132 CO 0.03 0.25 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.82 1i43 s LEU 133 N -0.57 2.59 -0.08 4.42 2.96 0.11 -4.81 118.68 123.30 1i43 s LEU 133 Ca 0.05 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1i43 s LEU 133 Cb -0.06 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1i43 s LEU 133 CO -0.00 0.31 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.42 1i43 s LEU 134 N -0.53 2.61 0.46 -0.68 1.43 -1.26 -1.86 118.68 118.85 1i43 s LEU 134 Ca 0.07 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1i43 s LEU 134 Cb -0.11 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1i43 s LEU 134 CO 0.01 0.26 0.08 -0.04 0.23 0.00 0.00 176.35 176.90 1i43 s MET 135 N -0.25 2.07 0.47 1.70 -1.94 -1.00 -4.57 119.30 115.78 1i43 s MET 135 Ca 0.01 -2.30 0.12 0.00 -1.71 0.00 0.00 55.69 51.81 1i43 s MET 135 Cb -0.13 -0.98 1.09 0.00 2.01 0.00 0.00 34.83 36.82 1i43 s MET 135 CO 0.03 -0.46 2.10 0.00 -0.01 0.00 0.00 175.02 176.68 1i43 h ALA 136 N 1.56 1.86 -2.65 3.03 0.00 -0.86 0.21 119.26 122.42 1i43 h ALA 136 Ca -0.38 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1i43 h ALA 136 Cb 1.29 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1i43 h ALA 136 CO 0.63 0.12 0.38 -1.54 0.00 0.00 0.00 179.25 178.84 1i43 s SER 137 N -6.92 -0.17 0.13 0.00 1.04 -1.26 -2.89 113.70 103.63 1i43 s SER 137 Ca -0.06 -0.57 -0.19 0.00 0.48 0.00 0.00 55.95 55.60 1i43 s SER 137 Cb 0.17 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.85 1i43 s SER 137 CO 0.70 -1.14 1.78 1.23 0.98 0.00 0.00 173.24 176.79 1i43 h GLY 138 N 2.00 0.33 0.59 7.32 0.00 -1.79 -1.91 103.07 109.61 1i43 h GLY 138 Ca -0.23 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.06 1i43 h GLY 138 CO 0.27 0.12 0.51 -0.33 0.00 0.00 0.00 176.54 177.10 1i43 h MET 139 N 0.31 0.85 -0.67 4.80 2.86 -1.92 -0.87 114.93 120.29 1i43 h MET 139 Ca 0.09 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1i43 h MET 139 Cb -0.03 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.38 1i43 h MET 139 CO -0.02 0.56 0.38 0.00 1.06 0.00 0.00 176.91 178.89 1i43 h ALA 141 N 1.33 -0.93 0.19 0.00 0.00 -0.43 -0.68 119.26 118.74 1i43 h ALA 141 Ca 0.29 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1i43 h ALA 141 Cb 0.15 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1i43 h ALA 141 CO -0.17 -1.00 -0.26 0.77 0.00 0.00 0.00 179.25 178.59 1i43 h SER 142 N -0.97 -0.72 -0.23 0.00 0.02 -1.22 0.51 113.55 110.94 1i43 h SER 142 Ca -0.09 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1i43 h SER 142 Cb 0.72 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 63.45 1i43 h SER 142 CO 0.16 -0.36 -0.52 0.74 -1.14 0.00 0.00 176.83 175.70 1i43 h THR 143 N -0.51 0.03 -0.71 -2.27 2.02 -0.86 0.25 112.91 110.87 1i43 h THR 143 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1i43 h THR 143 Cb 0.50 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1i43 h THR 143 CO -0.10 0.00 0.37 0.58 0.37 0.00 0.00 175.52 176.73 1i43 h VAL 144 N -0.50 1.22 -0.90 3.16 2.07 -1.05 -0.97 116.25 119.29 1i43 h VAL 144 Ca 0.06 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1i43 h VAL 144 Cb 0.65 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1i43 h VAL 144 CO -0.49 0.25 0.52 -0.03 0.02 0.00 0.00 177.57 177.84 1i43 h MET 145 N 0.98 1.24 0.13 1.57 -1.53 -0.31 -1.25 114.93 115.76 1i43 h MET 145 Ca 0.25 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.37 1i43 h MET 145 Cb 0.07 -0.25 0.00 0.00 -0.55 0.00 0.00 31.60 30.87 1i43 h MET 145 CO -0.04 0.88 -0.06 -0.07 0.14 0.00 0.00 176.91 177.76 1i43 h LEU 146 N 1.25 -0.15 -2.81 3.39 3.38 -0.12 -1.96 115.31 118.28 1i43 h LEU 146 Ca 0.32 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i43 h LEU 146 Cb -0.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1i43 h LEU 146 CO -0.06 0.23 0.01 -0.07 0.09 0.00 0.00 178.44 178.64 1i43 h LEU 147 N -0.56 0.00 0.03 1.67 3.38 -1.04 -2.30 115.31 116.50 1i43 h LEU 147 Ca -0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 1i43 h LEU 147 Cb 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1i43 h LEU 147 CO 0.03 0.00 -2.29 0.00 0.09 0.00 0.00 178.44 176.27 1i43 n ALA 148 N -2.04 1.31 0.02 1.53 0.00 -0.49 -4.69 120.51 116.15 1i43 n ALA 148 Ca -0.03 -0.98 -0.22 0.00 0.00 0.00 0.00 53.44 52.21 1i43 n ALA 148 Cb 0.07 -0.32 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 1i43 n ALA 148 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i43 h LEU 149 N 0.02 0.44 -9.00 0.00 3.38 -1.22 -3.46 115.31 105.48 1i43 h LEU 149 Ca -0.51 -0.91 -0.59 0.00 0.09 0.00 0.00 57.88 55.96 1i43 h LEU 149 Cb 1.99 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.52 1i43 h LEU 149 CO -0.01 1.78 0.63 -0.69 0.09 0.00 0.00 178.44 180.24 1i43 s VAL 150 N -2.54 4.70 0.79 1.22 1.01 -0.88 -5.04 120.40 119.67 1i43 s VAL 150 Ca -0.21 1.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 1i43 s VAL 150 Cb 0.06 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.25 1i43 s VAL 150 CO 0.78 -0.24 1.11 -2.84 0.00 0.00 0.00 175.10 173.91 1i43 s PRO 151 N 3.16 2.15 0.42 2.72 0.02 -1.26 -4.80 135.00 137.42 1i43 s PRO 151 Ca 0.39 0.46 -0.26 0.00 0.02 0.00 0.00 61.00 61.61 1i43 s PRO 151 Cb -0.14 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1i43 s PRO 151 CO 0.10 -1.53 1.43 0.00 -0.33 0.00 0.00 177.00 176.66 1i43 s ALA 152 N -3.29 3.36 0.00 -1.55 0.00 -1.26 -1.55 121.76 117.46 1i43 s ALA 152 Ca 0.61 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1i43 s ALA 152 Cb -0.13 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1i43 s ALA 152 CO 0.53 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1i43 n GLY 153 N 0.56 1.71 3.60 0.00 0.00 0.05 -4.88 105.19 106.24 1i43 n GLY 153 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1i43 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i43 s GLY 154 N -2.00 1.55 0.07 -0.02 0.00 -0.60 -4.60 107.32 101.73 1i43 s GLY 154 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 44.72 44.30 1i43 s GLY 154 CO 0.00 0.21 -0.23 -1.58 0.00 0.00 0.00 173.10 171.50 1i43 s HIS 155 N -2.86 2.41 0.13 1.90 5.65 -1.26 -0.80 115.29 120.47 1i43 s HIS 155 Ca 0.67 -0.34 0.07 0.00 0.25 0.00 0.00 55.06 55.72 1i43 s HIS 155 Cb -0.17 -1.37 -0.04 0.00 -1.18 0.00 0.00 32.58 29.81 1i43 s HIS 155 CO 0.58 0.24 -0.18 -1.50 -0.65 0.00 0.00 174.74 173.24 1i43 s ILE 156 N -0.94 1.61 -0.06 0.89 2.07 0.18 -1.42 121.20 123.52 1i43 s ILE 156 Ca 0.14 -1.72 0.02 0.00 -1.41 0.00 0.00 60.65 57.68 1i43 s ILE 156 Cb -0.10 -1.62 0.01 0.00 0.13 0.00 0.00 42.46 40.88 1i43 s ILE 156 CO 0.05 -0.27 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.01 1i43 s VAL 157 N -1.77 1.09 0.27 4.00 1.01 -0.74 -0.33 120.40 123.93 1i43 s VAL 157 Ca 0.10 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1i43 s VAL 157 Cb -0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1i43 s VAL 157 CO 0.05 0.35 0.40 0.42 0.00 0.00 0.00 175.10 176.32 1i43 s THR 158 N 0.68 0.00 0.53 3.92 -4.23 -0.69 -0.28 115.64 115.57 1i43 s THR 158 Ca -0.14 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1i43 s THR 158 Cb -0.16 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.29 1i43 s THR 158 CO 0.03 0.00 0.78 0.42 -0.54 0.00 0.00 174.62 175.31 1i43 s THR 159 N -3.72 3.29 -0.47 3.99 -4.23 -1.25 -0.37 115.64 112.87 1i43 s THR 159 Ca 0.29 -0.47 0.26 0.00 -1.18 0.00 0.00 61.69 60.59 1i43 s THR 159 Cb 0.01 -3.25 0.31 0.00 1.34 0.00 0.00 72.50 70.91 1i43 s THR 159 CO 0.13 -0.20 1.75 0.71 -0.54 0.00 0.00 174.62 176.48 1i43 h THR 160 N 0.10 0.00 -0.44 3.99 1.35 -1.33 -3.09 112.91 113.49 1i43 h THR 160 Ca -0.44 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1i43 h THR 160 Cb 1.28 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1i43 h THR 160 CO 0.56 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.30 1i43 n ASP 161 N -2.62 2.56 -4.52 5.36 9.92 -1.26 -4.98 116.55 121.01 1i43 n ASP 161 Ca 0.04 -1.96 -0.39 0.00 -0.53 0.00 0.00 54.79 51.95 1i43 n ASP 161 Cb 0.40 -0.29 0.04 0.00 -0.64 0.00 0.00 41.12 40.62 1i43 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i43 n TYR 163 N -1.50 2.36 -0.18 0.00 9.36 -1.26 -4.77 117.16 121.16 1i43 n TYR 163 Ca 0.12 0.19 -0.05 0.00 3.32 0.00 0.00 57.90 61.48 1i43 n TYR 163 Cb 0.46 -2.58 -0.04 0.00 -0.63 0.00 0.00 39.34 36.54 1i43 n TYR 163 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1i43 h ARG 164 N 6.53 -0.00 -0.79 2.98 2.43 -1.94 0.60 114.38 124.19 1i43 h ARG 164 Ca -0.45 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.87 1i43 h ARG 164 Cb 1.25 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.70 1i43 h ARG 164 CO 0.91 -0.00 0.33 0.87 -1.51 0.00 0.00 179.97 180.56 1i43 h LYS 165 N -0.00 0.45 -0.50 0.20 6.56 -1.99 0.13 116.57 121.42 1i43 h LYS 165 Ca 0.07 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.58 1i43 h LYS 165 Cb 0.18 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1i43 h LYS 165 CO -0.41 0.30 0.10 1.15 -2.06 0.00 0.00 179.45 178.53 1i43 h THR 166 N 0.46 1.22 -0.33 -0.16 2.02 -1.66 -1.74 112.91 112.72 1i43 h THR 166 Ca 0.44 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1i43 h THR 166 Cb 0.69 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1i43 h THR 166 CO -0.42 0.30 0.16 -0.09 0.37 0.00 0.00 175.52 175.84 1i43 h ARG 167 N 0.74 0.48 -0.22 6.66 9.65 0.14 -2.01 114.38 129.82 1i43 h ARG 167 Ca 0.16 -0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1i43 h ARG 167 Cb 0.30 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 1i43 h ARG 167 CO 0.00 0.45 -0.02 0.82 2.80 0.00 0.00 179.97 184.02 1i43 h ILE 168 N 0.40 0.82 -0.63 1.20 2.04 -0.61 -0.40 117.51 120.33 1i43 h ILE 168 Ca 0.11 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1i43 h ILE 168 Cb 0.13 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1i43 h ILE 168 CO -0.01 0.01 0.30 0.15 0.00 0.00 0.00 178.15 178.59 1i43 h PHE 169 N 0.04 0.54 0.00 1.37 3.57 -1.12 0.23 116.94 121.56 1i43 h PHE 169 Ca 0.10 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 1i43 h PHE 169 Cb 0.14 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1i43 h PHE 169 CO -0.20 0.21 -0.47 0.82 -2.23 0.00 0.00 178.31 176.44 1i43 h ILE 170 N 0.54 1.21 -0.01 1.41 2.04 -0.86 -1.13 117.51 120.71 1i43 h ILE 170 Ca 0.30 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1i43 h ILE 170 Cb 0.29 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1i43 h ILE 170 CO -0.24 0.46 -0.34 -0.62 0.00 0.00 0.00 178.15 177.41 1i43 n GLU 171 N -3.79 1.18 0.00 2.37 1.02 -0.20 -4.25 120.64 116.96 1i43 n GLU 171 Ca -0.01 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 1i43 n GLU 171 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1i43 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i43 n THR 172 N -0.14 0.00 -0.09 2.62 -2.24 -0.00 -4.84 114.28 109.59 1i43 n THR 172 Ca 0.11 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.70 1i43 n THR 172 Cb 0.43 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1i43 n THR 172 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i43 n ILE 173 N -0.58 0.99 -0.15 2.28 2.08 -0.46 -4.60 119.36 118.93 1i43 n ILE 173 Ca 0.00 -0.27 0.03 0.00 0.56 0.00 0.00 62.75 63.07 1i43 n ILE 173 Cb 0.03 -1.68 0.32 0.00 -0.75 0.00 0.00 39.64 37.56 1i43 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1i43 h LEU 174 N -0.58 0.71 -1.86 1.39 3.38 -1.67 -1.96 115.31 114.72 1i43 h LEU 174 Ca -0.45 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1i43 h LEU 174 Cb 1.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1i43 h LEU 174 CO -0.26 0.50 0.21 1.55 0.09 0.00 0.00 178.44 180.53 1i43 h PRO 175 N 0.83 0.17 -0.30 1.13 0.13 -1.74 0.13 132.00 132.35 1i43 h PRO 175 Ca 0.26 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.46 1i43 h PRO 175 Cb 0.01 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 1i43 h PRO 175 CO -0.07 0.11 0.26 0.87 -0.23 0.00 0.00 178.00 178.95 1i43 h LYS 176 N 0.18 0.00 -0.64 0.86 1.57 -1.60 0.56 116.57 117.49 1i43 h LYS 176 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1i43 h LYS 176 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1i43 h LYS 176 CO -0.02 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.53 1i43 n MET 177 N -4.09 3.16 -0.97 3.15 0.00 -0.01 -4.90 117.12 113.46 1i43 n MET 177 Ca 0.04 -2.48 0.00 0.00 0.00 0.00 0.00 57.70 55.27 1i43 n MET 177 Cb 0.42 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1i43 n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i43 n GLY 178 N 1.19 0.96 3.68 3.03 0.00 0.20 -0.77 105.19 113.48 1i43 n GLY 178 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1i43 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i43 s ILE 179 N -3.86 3.96 0.11 -0.61 1.01 -0.97 -3.34 121.20 117.51 1i43 s ILE 179 Ca 0.00 1.29 0.04 0.00 0.00 0.00 0.00 60.65 61.98 1i43 s ILE 179 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1i43 s ILE 179 CO 0.00 -0.03 0.08 0.28 0.00 0.00 0.00 174.94 175.27 1i43 s THR 180 N 2.63 4.40 0.10 2.92 -1.32 0.02 -3.59 115.64 120.80 1i43 s THR 180 Ca 0.61 -0.92 0.06 0.00 -1.21 0.00 0.00 61.69 60.22 1i43 s THR 180 Cb -0.28 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.52 1i43 s THR 180 CO 0.23 0.05 -0.14 0.00 -2.21 0.00 0.00 174.62 172.55 1i43 s ALA 181 N -1.49 1.37 -0.15 11.08 0.00 -1.26 0.47 121.76 131.78 1i43 s ALA 181 Ca 0.29 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1i43 s ALA 181 Cb -0.11 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1i43 s ALA 181 CO 0.22 0.12 -0.15 0.99 0.00 0.00 0.00 175.76 176.93 1i43 s THR 182 N -1.86 1.62 -0.26 0.00 2.01 0.55 -4.91 115.64 112.78 1i43 s THR 182 Ca 0.05 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.29 1i43 s THR 182 Cb -0.06 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1i43 s THR 182 CO 0.03 0.47 0.13 -0.69 -0.69 0.00 0.00 174.62 173.86 1i43 s VAL 183 N 1.39 4.80 0.34 3.82 1.01 -1.26 -1.70 120.40 128.81 1i43 s VAL 183 Ca 0.03 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1i43 s VAL 183 Cb -0.13 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1i43 s VAL 183 CO -0.10 0.30 -0.05 0.27 0.00 0.00 0.00 175.10 175.52 1i43 s ILE 184 N 1.68 2.39 0.37 2.22 -4.36 0.50 -4.84 121.20 119.16 1i43 s ILE 184 Ca 0.07 -2.11 -0.25 0.00 -0.26 0.00 0.00 60.65 58.09 1i43 s ILE 184 Cb -0.16 -2.71 -0.09 0.00 1.25 0.00 0.00 42.46 40.75 1i43 s ILE 184 CO 0.07 -0.20 1.08 -0.62 0.24 0.00 0.00 174.94 175.51 1i43 s ASP 185 N -3.65 6.85 0.29 4.36 2.15 -1.26 -0.86 116.67 124.54 1i43 s ASP 185 Ca 0.33 2.13 0.03 0.00 0.43 0.00 0.00 52.55 55.48 1i43 s ASP 185 Cb 0.02 -2.60 0.71 0.00 -0.30 0.00 0.00 42.92 40.75 1i43 s ASP 185 CO 0.18 -0.43 1.69 -0.65 -0.17 0.00 0.00 175.17 175.78 1i43 h PRO 186 N 2.84 0.35 0.21 4.34 0.11 -1.94 -2.58 132.00 135.32 1i43 h PRO 186 Ca -0.48 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.29 1i43 h PRO 186 Cb 1.22 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.27 1i43 h PRO 186 CO 0.63 0.23 -1.44 0.00 -0.21 0.00 0.00 178.00 177.22 1i43 h ALA 187 N 1.71 -0.04 -0.36 -0.75 0.00 -1.92 -3.45 119.26 114.45 1i43 h ALA 187 Ca 0.55 -0.90 -0.24 0.00 0.00 0.00 0.00 54.91 54.32 1i43 h ALA 187 Cb 1.05 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1i43 h ALA 187 CO -0.55 0.83 1.10 -3.47 0.00 0.00 0.00 179.25 177.16 1i43 n ASP 188 N -3.64 0.62 0.09 0.00 -0.08 -0.97 -4.71 116.55 107.85 1i43 n ASP 188 Ca -0.15 -0.86 -0.01 0.00 -1.51 0.00 0.00 54.79 52.26 1i43 n ASP 188 Cb 1.08 -1.19 -0.04 0.00 2.34 0.00 0.00 41.12 43.30 1i43 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i43 h VAL 189 N 7.50 0.96 -0.62 5.18 2.07 -1.86 -3.26 116.25 126.23 1i43 h VAL 189 Ca -0.03 -2.46 -0.10 0.00 0.82 0.00 0.00 66.70 64.94 1i43 h VAL 189 Cb 1.12 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1i43 h VAL 189 CO 1.28 0.55 0.02 1.23 0.02 0.00 0.00 177.57 180.66 1i43 h GLY 190 N 3.44 1.18 1.15 2.17 0.00 -1.98 -1.49 103.07 107.53 1i43 h GLY 190 Ca -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 1i43 h GLY 190 CO 0.08 0.79 0.39 0.00 0.00 0.00 0.00 176.54 177.79 1i43 h ALA 191 N 1.00 1.22 -0.17 3.60 0.00 -1.95 0.21 119.26 123.16 1i43 h ALA 191 Ca 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1i43 h ALA 191 Cb 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1i43 h ALA 191 CO 0.03 0.61 0.00 1.25 0.00 0.00 0.00 179.25 181.14 1i43 h LEU 192 N 1.10 0.30 -1.07 0.00 5.85 -1.54 0.10 115.31 120.05 1i43 h LEU 192 Ca 0.27 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1i43 h LEU 192 Cb 0.08 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1i43 h LEU 192 CO -0.04 0.53 0.30 -0.08 -0.34 0.00 0.00 178.44 178.82 1i43 h GLU 193 N 0.06 0.96 0.39 1.25 4.81 -0.95 0.27 114.58 121.37 1i43 h GLU 193 Ca 0.05 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1i43 h GLU 193 Cb 0.38 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1i43 h GLU 193 CO 0.01 0.75 -0.19 1.25 -0.73 0.00 0.00 179.01 180.10 1i43 h LEU 194 N 0.95 -0.45 -1.01 1.64 5.85 -0.82 -2.83 115.31 118.64 1i43 h LEU 194 Ca 0.23 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.98 1i43 h LEU 194 Cb 0.13 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.18 1i43 h LEU 194 CO -0.03 -0.06 0.62 0.00 -0.34 0.00 0.00 178.44 178.64 1i43 h ALA 195 N -0.53 1.60 -0.16 1.25 0.00 -0.82 0.28 119.26 120.89 1i43 h ALA 195 Ca -0.05 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1i43 h ALA 195 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1i43 h ALA 195 CO 0.09 0.08 0.13 -0.07 0.00 0.00 0.00 179.25 179.48 1i43 h LEU 196 N 0.87 0.00 0.02 0.00 -0.00 -0.36 -3.09 115.31 112.75 1i43 h LEU 196 Ca 0.54 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 58.05 1i43 h LEU 196 Cb 0.71 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.32 1i43 h LEU 196 CO -0.33 0.00 -2.11 0.59 -0.00 0.00 0.00 178.44 176.59 1i43 n ASN 197 N -4.25 1.97 0.00 -0.43 3.02 0.78 -4.57 115.26 111.78 1i43 n ASN 197 Ca 0.01 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1i43 n ASN 197 Cb 0.25 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1i43 n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i43 n GLN 198 N -3.93 0.00 -2.32 3.52 6.02 -0.03 -4.77 117.38 115.87 1i43 n GLN 198 Ca -0.43 0.18 -0.25 0.00 -0.01 0.00 0.00 57.00 56.49 1i43 n GLN 198 Cb 0.89 -1.02 0.07 0.00 1.02 0.00 0.00 30.24 31.20 1i43 n GLN 198 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1i43 s LYS 199 N -1.06 2.18 -0.70 -1.09 3.01 -1.17 -5.02 119.74 115.88 1i43 s LYS 199 Ca 0.00 -0.45 -0.18 0.00 -1.01 0.00 0.00 55.97 54.33 1i43 s LYS 199 Cb 0.00 -2.24 0.14 0.00 -1.01 0.00 0.00 37.83 34.71 1i43 s LYS 199 CO 0.00 -1.18 0.77 0.21 0.51 0.00 0.00 175.35 175.67 1i43 s LYS 200 N -5.15 3.26 0.12 1.68 2.20 -1.26 -4.62 119.74 115.98 1i43 s LYS 200 Ca 0.60 -1.69 -0.31 0.00 -0.36 0.00 0.00 55.97 54.21 1i43 s LYS 200 Cb -0.10 -4.42 -0.09 0.00 -1.51 0.00 0.00 37.83 31.71 1i43 s LYS 200 CO 0.43 -1.51 1.49 0.08 -0.36 0.00 0.00 175.35 175.49 1i43 s VAL 201 N 2.02 3.03 -0.10 4.02 1.01 -1.26 -4.23 120.40 124.89 1i43 s VAL 201 Ca 0.16 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 1i43 s VAL 201 Cb -0.18 -3.45 -0.27 0.00 0.00 0.00 0.00 36.38 32.48 1i43 s VAL 201 CO -0.00 0.04 0.47 0.78 0.00 0.00 0.00 175.10 176.39 1i43 h ASN 202 N 7.05 0.46 -3.90 3.32 -0.26 -1.60 -3.35 115.58 117.30 1i43 h ASN 202 Ca -0.42 -0.92 -0.02 0.00 -0.56 0.00 0.00 56.30 54.38 1i43 h ASN 202 Cb 1.20 -0.15 -0.22 0.00 -1.06 0.00 0.00 38.32 38.10 1i43 h ASN 202 CO 0.89 1.80 0.19 -0.22 -1.06 0.00 0.00 177.43 179.03 1i43 s LEU 203 N -7.22 -0.70 -0.26 1.61 0.20 -1.24 -1.88 118.68 109.18 1i43 s LEU 203 Ca -0.21 1.33 -0.08 0.00 0.69 0.00 0.00 54.13 55.86 1i43 s LEU 203 Cb 0.06 2.38 -0.03 0.00 -0.43 0.00 0.00 46.19 48.16 1i43 s LEU 203 CO 0.79 -0.24 0.10 0.12 -0.29 0.00 0.00 176.35 176.82 1i43 s PHE 204 N 0.30 3.12 -0.07 5.38 5.36 0.53 -1.80 117.98 130.81 1i43 s PHE 204 Ca 0.00 -0.33 0.05 0.00 -0.96 0.00 0.00 56.93 55.69 1i43 s PHE 204 Cb -0.05 -2.28 -0.01 0.00 -0.34 0.00 0.00 43.02 40.35 1i43 s PHE 204 CO 0.00 -0.33 -0.24 0.12 -1.46 0.00 0.00 175.22 173.31 1i43 s PHE 205 N 1.64 2.49 0.10 10.12 5.36 0.61 -1.58 117.98 136.73 1i43 s PHE 205 Ca 0.06 -0.83 -0.26 0.00 -0.96 0.00 0.00 56.93 54.95 1i43 s PHE 205 Cb -0.15 -1.64 0.08 0.00 -0.34 0.00 0.00 43.02 40.96 1i43 s PHE 205 CO 0.05 -0.28 0.78 -0.08 -1.46 0.00 0.00 175.22 174.23 1i43 s THR 206 N 0.01 0.00 0.23 0.12 -1.32 -0.78 -4.11 115.64 109.79 1i43 s THR 206 Ca -0.09 -0.17 0.07 0.00 -1.21 0.00 0.00 61.69 60.30 1i43 s THR 206 Cb -0.15 -1.21 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 1i43 s THR 206 CO 0.05 0.00 0.11 -1.83 -2.21 0.00 0.00 174.62 170.74 1i43 s GLU 207 N -3.43 2.68 -0.30 7.08 -1.05 -1.26 -0.55 118.70 121.86 1i43 s GLU 207 Ca 0.05 -1.13 -0.08 0.00 -0.15 0.00 0.00 54.97 53.66 1i43 s GLU 207 Cb -0.01 -2.44 0.18 0.00 -0.44 0.00 0.00 34.13 31.41 1i43 s GLU 207 CO -0.08 0.41 0.81 0.45 0.95 0.00 0.00 175.26 177.81 1i43 s SER 208 N -3.57 -0.93 1.12 0.83 0.15 -1.13 -4.32 113.70 105.84 1i43 s SER 208 Ca 0.31 0.72 -0.15 0.00 0.70 0.00 0.00 55.95 57.53 1i43 s SER 208 Cb -0.08 1.84 0.19 0.00 -1.71 0.00 0.00 66.02 66.26 1i43 s SER 208 CO 0.22 -0.18 0.62 -2.65 1.20 0.00 0.00 173.24 172.46 1i43 n PRO 209 N 5.39 -1.84 -3.71 5.44 -0.02 -1.26 -4.45 135.00 134.55 1i43 n PRO 209 Ca -0.05 -0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 60.72 1i43 n PRO 209 Cb 0.52 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1i43 n PRO 209 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1i43 s THR 210 N -2.36 4.29 -0.11 3.45 2.01 0.36 -4.72 115.64 118.55 1i43 s THR 210 Ca 0.63 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1i43 s THR 210 Cb -0.20 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1i43 s THR 210 CO 0.65 -0.22 -0.14 0.21 -0.69 0.00 0.00 174.62 174.44 1i43 s ASN 211 N -4.06 3.99 0.00 3.53 2.47 -1.26 -0.03 114.94 119.58 1i43 s ASN 211 Ca 0.40 -0.31 0.22 0.00 0.42 0.00 0.00 52.86 53.60 1i43 s ASN 211 Cb -0.09 -1.46 0.32 0.00 -1.45 0.00 0.00 41.25 38.58 1i43 s ASN 211 CO 0.29 0.20 1.31 -0.81 -3.72 0.00 0.00 177.10 174.37 1i43 n PRO 212 N 3.29 2.33 -0.32 0.43 -0.04 -1.26 -4.76 135.00 134.67 1i43 n PRO 212 Ca -0.18 -2.09 0.05 0.00 -0.04 0.00 0.00 63.50 61.24 1i43 n PRO 212 Cb 0.53 -1.47 0.19 0.00 -0.04 0.00 0.00 33.50 32.71 1i43 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i43 n PHE 213 N 1.37 0.78 -4.37 0.54 3.72 -1.25 -4.59 117.46 113.66 1i43 n PHE 213 Ca 0.16 -0.32 -0.35 0.00 -0.05 0.00 0.00 57.45 56.90 1i43 n PHE 213 Cb 0.58 -0.13 -0.09 0.00 -0.94 0.00 0.00 39.48 38.89 1i43 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i43 n LEU 214 N 0.53 -0.91 -4.78 4.37 4.77 0.96 -4.78 117.00 117.17 1i43 n LEU 214 Ca 0.14 -1.25 -0.37 0.00 -0.03 0.00 0.00 56.01 54.50 1i43 n LEU 214 Cb 0.51 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1i43 n LEU 214 CO 0.13 0.34 0.76 -0.13 -1.33 0.00 0.00 177.39 177.16 1i43 s ARG 215 N -7.28 4.13 0.15 3.23 1.81 -1.25 -4.26 118.95 115.47 1i43 s ARG 215 Ca 0.27 1.58 0.09 0.00 -1.72 0.00 0.00 55.73 55.95 1i43 s ARG 215 Cb -0.16 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.74 1i43 s ARG 215 CO 1.00 -0.19 -0.13 0.00 -0.68 0.00 0.00 175.30 175.30 1i43 s VAL 217 N -1.44 1.99 -0.94 0.00 1.01 -1.26 -4.71 120.40 115.05 1i43 s VAL 217 Ca 0.22 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1i43 s VAL 217 Cb -0.10 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1i43 s VAL 217 CO 0.13 0.55 2.06 -0.62 0.00 0.00 0.00 175.10 177.22 1i43 s ASP 218 N 0.00 4.72 0.17 3.32 -1.08 -1.26 -4.78 116.67 117.76 1i43 s ASP 218 Ca -0.08 -0.71 -0.19 0.00 -0.52 0.00 0.00 52.55 51.05 1i43 s ASP 218 Cb -0.15 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 38.84 1i43 s ASP 218 CO 0.05 -3.20 1.64 0.40 0.52 0.00 0.00 175.17 174.58 1i43 h ILE 219 N 7.13 0.44 -0.55 4.11 2.04 -1.96 0.28 117.51 129.00 1i43 h ILE 219 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1i43 h ILE 219 Cb 0.99 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1i43 h ILE 219 CO 1.15 0.00 0.20 -0.08 0.00 0.00 0.00 178.15 179.42 1i43 h GLU 220 N -0.11 0.36 0.43 2.37 4.81 -1.86 0.62 114.58 121.21 1i43 h GLU 220 Ca 0.19 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1i43 h GLU 220 Cb 0.41 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1i43 h GLU 220 CO -0.47 0.24 -0.21 1.25 -0.73 0.00 0.00 179.01 179.10 1i43 h LEU 221 N 0.38 -0.49 -0.99 1.64 5.85 -1.73 -2.90 115.31 117.07 1i43 h LEU 221 Ca 0.27 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.29 1i43 h LEU 221 Cb 0.31 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.33 1i43 h LEU 221 CO -0.28 -0.19 0.55 0.58 -0.34 0.00 0.00 178.44 178.75 1i43 h VAL 222 N -0.89 0.39 -0.07 1.05 2.07 -0.91 0.15 116.25 118.03 1i43 h VAL 222 Ca -0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1i43 h VAL 222 Cb 0.44 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1i43 h VAL 222 CO 0.10 0.07 0.04 0.28 0.02 0.00 0.00 177.57 178.08 1i43 h SER 223 N 0.41 0.06 0.06 0.57 0.02 -0.90 -2.22 113.55 111.55 1i43 h SER 223 Ca 0.68 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.66 1i43 h SER 223 Cb 1.46 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.95 1i43 h SER 223 CO -0.56 0.05 -0.23 0.50 -1.14 0.00 0.00 176.83 175.44 1i43 h LYS 224 N 0.08 -0.38 -0.46 3.45 3.64 -0.50 0.22 116.57 122.62 1i43 h LYS 224 Ca 0.03 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1i43 h LYS 224 Cb -0.00 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1i43 h LYS 224 CO -0.01 -0.26 0.04 -0.07 -2.27 0.00 0.00 179.45 176.88 1i43 h LEU 225 N -0.40 -0.11 0.43 5.20 3.38 -1.32 -1.32 115.31 121.16 1i43 h LEU 225 Ca 0.04 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1i43 h LEU 225 Cb 0.45 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1i43 h LEU 225 CO -0.17 -0.02 -0.21 0.00 0.09 0.00 0.00 178.44 178.13 1i43 h HIS 227 N -0.73 0.00 -0.12 0.00 3.86 -0.74 0.26 115.15 117.68 1i43 h HIS 227 Ca -0.06 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.01 1i43 h HIS 227 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1i43 h HIS 227 CO -0.01 0.00 -0.53 1.49 0.86 0.00 0.00 177.93 179.74 1i43 h GLU 228 N 0.00 0.34 -0.46 2.45 4.81 -0.92 -3.09 114.58 117.71 1i43 h GLU 228 Ca 0.07 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1i43 h GLU 228 Cb 0.60 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1i43 h GLU 228 CO -0.00 0.79 0.00 1.63 -0.73 0.00 0.00 179.01 180.70 1i43 n LYS 229 N -3.94 2.50 -0.70 1.92 4.76 0.79 -4.96 118.16 118.53 1i43 n LYS 229 Ca -0.02 -2.30 0.00 0.00 -2.87 0.00 0.00 58.31 53.11 1i43 n LYS 229 Cb 0.57 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1i43 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i43 n GLY 230 N 1.36 0.79 3.81 0.72 0.00 -0.47 -4.88 105.19 106.52 1i43 n GLY 230 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1i43 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i43 s ALA 231 N -2.99 2.37 0.07 4.61 0.00 -0.79 -4.92 121.76 120.11 1i43 s ALA 231 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1i43 s ALA 231 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1i43 s ALA 231 CO 0.00 -1.60 0.02 -0.51 0.00 0.00 0.00 175.76 173.68 1i43 s LEU 232 N -5.71 3.57 -0.14 0.00 1.43 -0.79 -4.06 118.68 112.98 1i43 s LEU 232 Ca 0.60 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1i43 s LEU 232 Cb -0.14 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1i43 s LEU 232 CO 0.54 0.20 -0.18 -0.69 0.23 0.00 0.00 176.35 176.45 1i43 s VAL 233 N -1.28 2.43 -0.11 -1.59 1.01 -1.26 0.20 120.40 119.81 1i43 s VAL 233 Ca 0.25 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1i43 s VAL 233 Cb -0.12 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1i43 s VAL 233 CO 0.17 0.53 -0.07 0.00 0.00 0.00 0.00 175.10 175.73 1i43 s ILE 235 N 1.67 3.92 -0.97 0.00 -1.09 -0.06 -1.87 121.20 122.81 1i43 s ILE 235 Ca 0.04 -0.38 -0.13 0.00 -2.23 0.00 0.00 60.65 57.95 1i43 s ILE 235 Cb -0.13 -2.64 0.23 0.00 -1.58 0.00 0.00 42.46 38.34 1i43 s ILE 235 CO -0.07 0.58 0.97 -0.62 -1.23 0.00 0.00 174.94 174.56 1i43 s ASP 236 N -0.54 6.98 0.00 3.58 -1.08 0.28 -1.40 116.67 124.49 1i43 s ASP 236 Ca 0.08 -2.99 0.00 0.00 -0.52 0.00 0.00 52.55 49.13 1i43 s ASP 236 Cb -0.12 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1i43 s ASP 236 CO 0.02 -0.52 0.82 0.61 0.52 0.00 0.00 175.17 176.62 1i43 n GLY 237 N 3.65 1.73 0.32 2.66 0.00 -0.96 -2.85 105.19 109.75 1i43 n GLY 237 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1i43 n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i43 h THR 238 N 0.07 0.00 -0.75 2.61 2.02 -1.88 0.17 112.91 115.15 1i43 h THR 238 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1i43 h THR 238 Cb 0.82 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1i43 h THR 238 CO 0.00 0.00 0.49 -0.26 0.37 0.00 0.00 175.52 176.12 1i43 h PHE 239 N -0.48 0.79 0.25 3.16 0.04 -1.84 -3.15 116.94 115.70 1i43 h PHE 239 Ca -0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1i43 h PHE 239 Cb 0.50 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1i43 h PHE 239 CO -0.42 0.41 -0.12 0.00 -0.60 0.00 0.00 178.31 177.58 1i43 h ALA 240 N 1.60 -0.34 0.00 2.45 0.00 -1.64 -3.42 119.26 117.92 1i43 h ALA 240 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1i43 h ALA 240 Cb 0.29 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i43 h ALA 240 CO -0.11 -0.45 0.00 2.41 0.00 0.00 0.00 179.25 181.09 1i43 n THR 241 N -5.04 -0.53 0.00 0.00 -1.04 0.56 -3.84 114.28 104.39 1i43 n THR 241 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1i43 n THR 241 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1i43 n THR 241 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i43 n PRO 242 N 0.24 0.00 0.02 -2.82 -0.04 -1.26 -1.74 135.00 129.40 1i43 n PRO 242 Ca 0.00 0.32 -0.18 0.00 -0.04 0.00 0.00 63.50 63.60 1i43 n PRO 242 Cb 0.00 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 31.80 1i43 n PRO 242 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1i43 h LEU 243 N 0.00 0.36 0.00 1.53 3.38 -1.93 -3.37 115.31 115.28 1i43 h LEU 243 Ca 0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1i43 h LEU 243 Cb 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1i43 h LEU 243 CO 0.00 1.61 -0.19 0.78 0.09 0.00 0.00 178.44 180.73 1i43 h ASN 244 N 0.06 0.00 -4.44 -0.43 2.35 -1.44 -3.46 115.58 108.23 1i43 h ASN 244 Ca -0.36 -0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.39 1i43 h ASN 244 Cb 2.04 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 40.20 1i43 h ASN 244 CO 0.11 0.03 0.44 0.00 -1.65 0.00 0.00 177.43 176.36 1i43 s GLN 245 N -3.14 0.76 -0.70 0.81 -2.07 -1.16 -1.40 119.66 112.76 1i43 s GLN 245 Ca 0.09 0.09 0.05 0.00 -1.82 0.00 0.00 55.36 53.77 1i43 s GLN 245 Cb 0.11 0.36 0.19 0.00 -1.09 0.00 0.00 33.01 32.58 1i43 s GLN 245 CO 0.64 -0.26 0.56 1.63 -1.32 0.00 0.00 175.29 176.54 1i43 n LYS 246 N 0.60 2.01 -0.29 9.60 4.76 -1.26 -4.41 118.16 129.16 1i43 n LYS 246 Ca -0.12 -4.54 0.19 0.00 -2.87 0.00 0.00 58.31 50.97 1i43 n LYS 246 Cb 0.58 -2.29 0.47 0.00 -1.84 0.00 0.00 35.03 31.96 1i43 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i43 h ALA 247 N 5.15 2.12 -0.32 7.82 0.00 -1.94 0.24 119.26 132.32 1i43 h ALA 247 Ca 0.16 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1i43 h ALA 247 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1i43 h ALA 247 CO 0.75 -0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.46 1i43 h LEU 248 N 0.47 0.46 -0.11 0.00 3.38 -1.85 -1.72 115.31 115.94 1i43 h LEU 248 Ca 0.53 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 1i43 h LEU 248 Cb 1.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1i43 h LEU 248 CO -0.25 0.53 -0.43 0.00 0.09 0.00 0.00 178.44 178.38 1i43 h ALA 249 N 1.53 0.74 -0.00 1.53 0.00 -0.86 -3.14 119.26 119.06 1i43 h ALA 249 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1i43 h ALA 249 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1i43 h ALA 249 CO 0.01 0.54 -0.02 1.28 0.00 0.00 0.00 179.25 181.06 1i43 n LEU 250 N -3.24 0.15 0.00 0.00 4.77 -0.71 -4.90 117.00 113.08 1i43 n LEU 250 Ca 0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1i43 n LEU 250 Cb 0.69 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i43 n LEU 250 CO 0.39 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1i43 n GLY 251 N 1.19 1.91 3.51 -0.72 0.00 -1.09 -3.39 105.19 106.60 1i43 n GLY 251 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1i43 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i43 n ALA 252 N 0.00 -0.84 0.04 4.61 0.00 -0.70 -4.93 120.51 118.68 1i43 n ALA 252 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1i43 n ALA 252 Cb 0.00 -1.91 -0.14 0.00 0.00 0.00 0.00 19.45 17.40 1i43 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i43 h ASP 253 N 0.20 0.50 -4.31 0.00 3.32 -1.29 -3.42 116.42 111.41 1i43 h ASP 253 Ca -0.46 -0.91 -0.31 0.00 0.02 0.00 0.00 57.03 55.37 1i43 h ASP 253 Cb 1.38 -0.16 -0.25 0.00 0.22 0.00 0.00 39.33 40.52 1i43 h ASP 253 CO 0.47 1.75 -0.75 -0.76 -1.72 0.00 0.00 179.24 178.23 1i43 s LEU 254 N -7.34 2.13 -0.11 1.55 1.43 -0.61 -4.10 118.68 111.63 1i43 s LEU 254 Ca -0.19 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1i43 s LEU 254 Cb 0.05 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 46.05 1i43 s LEU 254 CO 0.81 -0.05 -0.08 0.54 0.23 0.00 0.00 176.35 177.79 1i43 s VAL 255 N -0.72 1.04 0.10 -1.59 0.11 -0.35 -0.88 120.40 118.11 1i43 s VAL 255 Ca -0.03 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 58.81 1i43 s VAL 255 Cb -0.06 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1i43 s VAL 255 CO 0.00 0.37 -0.25 -1.48 -3.33 0.00 0.00 175.10 170.40 1i43 s LEU 256 N 1.57 2.34 0.00 2.54 0.05 -0.50 -0.81 118.68 123.87 1i43 s LEU 256 Ca 0.03 -0.67 0.01 0.00 0.05 0.00 0.00 54.13 53.54 1i43 s LEU 256 Cb -0.13 -1.29 -0.00 0.00 -2.05 0.00 0.00 46.19 42.72 1i43 s LEU 256 CO -0.07 0.21 0.03 1.41 -0.55 0.00 0.00 176.35 177.37 1i43 n HIS 257 N 1.16 0.13 -3.52 3.48 8.25 -0.47 -2.26 115.22 122.00 1i43 n HIS 257 Ca -0.17 -0.70 -0.28 0.00 -0.26 0.00 0.00 57.72 56.31 1i43 n HIS 257 Cb 0.53 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1i43 n HIS 257 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1i43 s SER 258 N -1.70 2.66 0.65 0.41 0.15 -1.26 -2.75 113.70 111.86 1i43 s SER 258 Ca 0.04 -2.72 0.19 0.00 0.70 0.00 0.00 55.95 54.16 1i43 s SER 258 Cb 0.00 -0.62 0.96 0.00 -1.71 0.00 0.00 66.02 64.65 1i43 s SER 258 CO 0.03 -0.23 1.52 0.00 1.20 0.00 0.00 173.24 175.76 1i43 h ALA 259 N 6.33 1.87 0.00 5.45 0.00 -1.77 0.29 119.26 131.43 1i43 h ALA 259 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i43 h ALA 259 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1i43 h ALA 259 CO 0.38 -0.78 0.17 1.15 0.00 0.00 0.00 179.25 180.17 1i43 h THR 260 N 0.00 0.00 0.00 0.00 2.02 -1.74 0.92 112.91 114.10 1i43 h THR 260 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1i43 h THR 260 Cb 1.47 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1i43 h THR 260 CO -0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1i43 n LYS 261 N -2.87 0.00 -0.02 6.66 4.76 0.10 -4.70 118.16 122.09 1i43 n LYS 261 Ca -0.02 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.26 1i43 n LYS 261 Cb 0.23 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.32 1i43 n LYS 261 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1i43 h PHE 262 N 0.00 0.60 -0.60 2.13 0.04 -1.75 -1.89 116.94 115.47 1i43 h PHE 262 Ca 0.00 -0.28 0.10 0.00 2.80 0.00 0.00 57.97 60.59 1i43 h PHE 262 Cb 0.00 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 37.99 1i43 h PHE 262 CO 0.00 1.06 0.20 -0.07 -0.60 0.00 0.00 178.31 178.89 1i43 h LEU 263 N -0.02 0.15 -0.02 1.54 3.38 -1.82 -1.95 115.31 116.57 1i43 h LEU 263 Ca -0.04 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1i43 h LEU 263 Cb 1.14 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.98 1i43 h LEU 263 CO 0.10 0.09 -0.44 1.23 0.09 0.00 0.00 178.44 179.50 1i43 h GLY 264 N 0.36 0.37 0.00 0.83 0.00 -0.92 -3.31 103.07 100.40 1i43 h GLY 264 Ca 0.31 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1i43 h GLY 264 CO -0.34 0.55 0.00 0.61 0.00 0.00 0.00 176.54 177.36 1i43 n GLY 265 N 0.97 0.26 0.00 4.60 0.00 -0.71 -4.43 105.19 105.88 1i43 n GLY 265 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1i43 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i43 n HIS 266 N -2.04 0.00 -3.83 1.61 8.25 -1.26 -1.72 115.22 116.22 1i43 n HIS 266 Ca 0.00 -0.34 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 1i43 n HIS 266 Cb 0.06 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.16 1i43 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i43 n ASN 267 N -0.34 -2.54 -0.43 0.41 3.02 -1.26 -4.85 115.26 109.26 1i43 n ASN 267 Ca 0.00 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1i43 n ASN 267 Cb 0.23 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 1i43 n ASN 267 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1i43 n ASP 268 N -2.95 0.00 -3.61 6.41 5.75 -1.26 -5.10 116.55 115.79 1i43 n ASP 268 Ca -0.16 -1.82 -0.09 0.00 -0.01 0.00 0.00 54.79 52.71 1i43 n ASP 268 Cb 0.61 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.48 1i43 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i43 s VAL 269 N 0.00 0.00 0.14 2.12 0.11 -1.26 -5.11 120.40 116.41 1i43 s VAL 269 Ca 0.00 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1i43 s VAL 269 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1i43 s VAL 269 CO 0.00 0.00 0.09 -0.76 -3.33 0.00 0.00 175.10 171.10 1i43 s LEU 270 N -0.45 3.69 -0.27 2.54 1.43 -1.26 -4.28 118.68 120.07 1i43 s LEU 270 Ca 0.01 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1i43 s LEU 270 Cb -0.03 -2.33 0.18 0.00 0.03 0.00 0.00 46.19 44.05 1i43 s LEU 270 CO -0.03 0.10 1.31 0.00 0.23 0.00 0.00 176.35 177.96 1i43 s ALA 271 N -1.64 -2.09 0.21 4.21 0.00 -1.14 -4.72 121.76 116.59 1i43 s ALA 271 Ca 0.30 1.85 0.07 0.00 0.00 0.00 0.00 51.96 54.17 1i43 s ALA 271 Cb -0.10 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1i43 s ALA 271 CO 0.22 -0.26 0.08 0.20 0.00 0.00 0.00 175.76 176.00 1i43 s GLY 272 N -1.08 1.62 -0.03 0.00 0.00 0.06 -2.30 107.32 105.60 1i43 s GLY 272 Ca 0.07 -1.41 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 1i43 s GLY 272 CO -0.06 -1.44 0.07 0.00 0.00 0.00 0.00 173.10 171.66 1i43 s ILE 274 N 0.51 -0.40 0.03 0.00 1.01 -0.78 -1.37 121.20 120.20 1i43 s ILE 274 Ca -0.04 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.82 1i43 s ILE 274 Cb -0.06 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1i43 s ILE 274 CO -0.02 0.00 -0.23 -0.44 0.00 0.00 0.00 174.94 174.25 1i43 s SER 275 N 2.40 2.72 0.00 3.58 0.01 0.01 0.07 113.70 122.49 1i43 s SER 275 Ca 0.04 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1i43 s SER 275 Cb -0.13 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1i43 s SER 275 CO -0.10 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1i43 n GLY 276 N 1.94 -0.81 3.77 3.44 0.00 -0.65 -1.21 105.19 111.67 1i43 n GLY 276 Ca -0.17 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1i43 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i43 s PRO 277 N -0.76 3.19 0.10 1.61 0.04 -1.26 -2.10 135.00 135.82 1i43 s PRO 277 Ca 0.00 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 1i43 s PRO 277 Cb 0.00 -1.98 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 1i43 s PRO 277 CO 0.00 -0.99 1.60 1.25 0.04 0.00 0.00 177.00 178.91 1i43 h LEU 278 N 0.97 -1.04 -1.37 -3.56 6.46 -1.89 0.68 115.31 115.56 1i43 h LEU 278 Ca -0.50 0.09 0.41 0.00 -0.12 0.00 0.00 57.88 57.76 1i43 h LEU 278 Cb 1.27 0.36 -0.13 0.00 -0.73 0.00 0.00 40.66 41.43 1i43 h LEU 278 CO 0.56 -0.51 0.80 0.50 -0.62 0.00 0.00 178.44 179.17 1i43 h LYS 279 N -0.74 0.13 0.00 1.25 3.64 -2.00 0.60 116.57 119.45 1i43 h LYS 279 Ca -0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1i43 h LYS 279 Cb 0.68 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1i43 h LYS 279 CO -0.09 0.09 -0.55 -0.07 -2.27 0.00 0.00 179.45 176.55 1i43 h LEU 280 N 0.13 0.00 -2.01 5.20 3.38 -1.78 -3.34 115.31 116.89 1i43 h LEU 280 Ca 0.79 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.78 1i43 h LEU 280 Cb 2.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 43.11 1i43 h LEU 280 CO -0.42 0.86 0.37 1.62 0.09 0.00 0.00 178.44 180.95 1i43 h VAL 281 N -1.00 0.70 -0.34 1.22 3.04 -0.56 -1.03 116.25 118.29 1i43 h VAL 281 Ca -0.06 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.50 1i43 h VAL 281 Cb 0.59 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 1i43 h VAL 281 CO -0.04 0.00 -0.31 0.77 -1.01 0.00 0.00 177.57 176.98 1i43 h SER 282 N 0.00 0.76 -0.49 3.17 4.64 -1.07 -1.71 113.55 118.85 1i43 h SER 282 Ca 0.23 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1i43 h SER 282 Cb 0.97 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 1i43 h SER 282 CO -0.00 1.02 0.25 -0.33 -0.87 0.00 0.00 176.83 176.90 1i43 h GLU 283 N 0.62 0.73 -0.13 4.77 4.39 -1.30 -1.20 114.58 122.47 1i43 h GLU 283 Ca 0.07 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.51 1i43 h GLU 283 Cb 0.84 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1i43 h GLU 283 CO 0.07 0.57 -0.58 0.82 -1.16 0.00 0.00 179.01 178.74 1i43 h ILE 284 N 0.74 1.34 -0.51 3.13 2.04 -1.44 -3.11 117.51 119.70 1i43 h ILE 284 Ca 0.18 -1.86 0.05 0.00 1.00 0.00 0.00 64.86 64.23 1i43 h ILE 284 Cb 0.08 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1i43 h ILE 284 CO -0.02 0.57 0.34 -0.09 0.00 0.00 0.00 178.15 178.95 1i43 h ARG 285 N 0.26 0.50 -0.45 2.37 2.43 -0.79 0.12 114.38 118.81 1i43 h ARG 285 Ca -0.04 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1i43 h ARG 285 Cb 1.22 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1i43 h ARG 285 CO 0.12 0.33 0.12 -0.91 -1.51 0.00 0.00 179.97 178.12 1i43 h ASN 286 N 0.51 0.68 0.90 -3.80 4.21 -1.17 0.23 115.58 117.14 1i43 h ASN 286 Ca 0.21 -0.22 -0.11 0.00 1.21 0.00 0.00 56.30 57.39 1i43 h ASN 286 Cb 0.21 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 1i43 h ASN 286 CO -0.06 0.73 -0.54 0.25 -1.29 0.00 0.00 177.43 176.52 1i43 h LEU 287 N 0.60 0.00 -0.48 1.61 5.85 -1.36 -2.99 115.31 118.54 1i43 h LEU 287 Ca 0.14 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1i43 h LEU 287 Cb 0.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1i43 h LEU 287 CO -0.00 0.54 0.19 -0.74 -0.34 0.00 0.00 178.44 178.08 1i43 h HIS 288 N 0.00 0.73 0.00 1.25 2.76 -0.15 -0.75 115.15 118.99 1i43 h HIS 288 Ca -0.01 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1i43 h HIS 288 Cb 1.13 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1i43 h HIS 288 CO 0.00 0.62 0.00 0.72 -1.30 0.00 0.00 177.93 177.97 1i43 n HIS 289 N -4.57 0.00 -0.09 5.26 8.25 0.01 -1.01 115.22 123.07 1i43 n HIS 289 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.31 1i43 n HIS 289 Cb 0.16 -0.38 -0.07 0.00 1.12 0.00 0.00 29.99 30.82 1i43 n HIS 289 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i43 n ILE 290 N -1.38 0.94 0.30 1.59 5.41 -0.74 -4.50 119.36 120.98 1i43 n ILE 290 Ca 0.01 -0.27 0.18 0.00 1.00 0.00 0.00 62.75 63.68 1i43 n ILE 290 Cb 0.04 -1.56 0.83 0.00 -0.71 0.00 0.00 39.64 38.24 1i43 n ILE 290 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1i43 h LEU 291 N -0.45 0.00 -2.83 1.39 3.38 -0.94 -3.47 115.31 112.38 1i43 h LEU 291 Ca -0.42 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.38 1i43 h LEU 291 Cb 1.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.19 1i43 h LEU 291 CO -0.21 0.00 -0.39 0.61 0.09 0.00 0.00 178.44 178.54 1i43 n GLY 292 N -0.33 -1.25 1.77 0.83 0.00 -0.18 -4.93 105.19 101.09 1i43 n GLY 292 Ca -0.00 0.51 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 1i43 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i43 n GLY 293 N -1.72 5.77 3.60 -0.02 0.00 -1.26 -5.06 105.19 106.50 1i43 n GLY 293 Ca -0.10 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 1i43 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i43 n ALA 294 N -0.91 0.07 -2.70 4.61 0.00 -1.26 -0.30 120.51 120.01 1i43 n ALA 294 Ca 0.44 0.25 -0.37 0.00 0.00 0.00 0.00 53.44 53.76 1i43 n ALA 294 Cb 0.92 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 1i43 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i43 s LEU 295 N -0.31 4.32 0.16 0.00 2.96 -1.26 -4.40 118.68 120.15 1i43 s LEU 295 Ca 0.63 0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 54.82 1i43 s LEU 295 Cb -0.58 -2.36 -0.08 0.00 0.50 0.00 0.00 46.19 43.68 1i43 s LEU 295 CO 0.57 0.20 1.26 0.21 -1.32 0.00 0.00 176.35 177.28 1i43 s ASN 296 N -0.13 6.98 0.42 3.68 3.84 -1.26 -4.89 114.94 123.59 1i43 s ASN 296 Ca 0.18 2.26 0.23 0.00 0.21 0.00 0.00 52.86 55.73 1i43 s ASN 296 Cb -0.14 -2.60 1.21 0.00 -0.55 0.00 0.00 41.25 39.18 1i43 s ASN 296 CO 0.06 -0.48 1.74 -0.65 -2.79 0.00 0.00 177.10 174.98 1i43 h PRO 297 N 5.79 0.28 -0.17 0.43 0.11 -1.96 0.36 132.00 136.85 1i43 h PRO 297 Ca -0.44 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1i43 h PRO 297 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1i43 h PRO 297 CO 0.78 0.19 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.60 1i43 h ASN 298 N 0.29 0.30 -0.05 -2.05 2.35 -1.92 -1.88 115.58 112.63 1i43 h ASN 298 Ca 0.64 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 56.17 1i43 h ASN 298 Cb 1.79 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 40.09 1i43 h ASN 298 CO -0.29 0.56 -0.45 0.00 -1.65 0.00 0.00 177.43 175.59 1i43 h ALA 299 N 1.47 0.12 -0.98 -0.83 0.00 -0.71 -2.77 119.26 115.56 1i43 h ALA 299 Ca 0.04 -0.50 0.17 0.00 0.00 0.00 0.00 54.91 54.62 1i43 h ALA 299 Cb 0.59 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1i43 h ALA 299 CO 0.04 0.28 0.61 0.00 0.00 0.00 0.00 179.25 180.19 1i43 h ALA 300 N 0.39 1.72 -0.13 0.00 0.00 -0.94 -0.84 119.26 119.46 1i43 h ALA 300 Ca -0.04 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1i43 h ALA 300 Cb 1.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1i43 h ALA 300 CO 0.09 -0.04 -0.73 -0.92 0.00 0.00 0.00 179.25 177.65 1i43 h TYR 301 N 0.77 0.83 -0.17 0.00 3.20 -1.34 -1.66 116.97 118.60 1i43 h TYR 301 Ca 0.53 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1i43 h TYR 301 Cb 0.81 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1i43 h TYR 301 CO -0.00 1.15 0.05 -0.07 -1.64 0.00 0.00 178.16 177.65 1i43 h LEU 302 N 0.43 0.21 0.19 2.82 3.38 -0.88 0.68 115.31 122.14 1i43 h LEU 302 Ca -0.04 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.60 1i43 h LEU 302 Cb 1.33 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 42.04 1i43 h LEU 302 CO 0.14 0.21 -1.48 0.40 0.09 0.00 0.00 178.44 177.81 1i43 h ILE 303 N 0.24 1.26 -0.86 1.22 2.04 -1.23 -1.67 117.51 118.50 1i43 h ILE 303 Ca 0.06 -2.78 0.01 0.00 1.00 0.00 0.00 64.86 63.15 1i43 h ILE 303 Cb 0.08 2.93 -0.04 0.00 -0.74 0.00 0.00 36.82 39.05 1i43 h ILE 303 CO -0.00 0.84 0.56 0.40 0.00 0.00 0.00 178.15 179.94 1i43 h ILE 304 N 0.11 1.23 0.10 -0.67 2.04 -0.73 -0.76 117.51 118.83 1i43 h ILE 304 Ca -0.24 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1i43 h ILE 304 Cb 2.09 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1i43 h ILE 304 CO 0.22 0.22 -0.05 -0.09 0.00 0.00 0.00 178.15 178.46 1i43 h ARG 305 N 1.17 -0.12 -0.39 2.37 2.43 -0.92 -3.11 114.38 115.80 1i43 h ARG 305 Ca 0.31 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.54 1i43 h ARG 305 Cb -0.11 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1i43 h ARG 305 CO -0.07 0.21 0.26 0.78 -1.51 0.00 0.00 179.97 179.65 1i43 h GLY 306 N -0.47 0.41 2.00 2.80 0.00 -1.08 -1.24 103.07 105.48 1i43 h GLY 306 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1i43 h GLY 306 CO 0.02 0.11 0.00 -0.33 0.00 0.00 0.00 176.54 176.35 1i43 h MET 307 N 0.34 0.00 0.00 4.80 2.86 -1.08 -2.82 114.93 119.04 1i43 h MET 307 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1i43 h MET 307 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1i43 h MET 307 CO -0.04 0.00 0.00 0.87 1.06 0.00 0.00 176.91 178.80 1i43 h LYS 308 N 0.00 0.00 0.00 1.72 1.79 -1.19 -1.59 116.57 117.30 1i43 h LYS 308 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1i43 h LYS 308 Cb 0.48 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.04 1i43 h LYS 308 CO 0.00 0.00 -0.50 0.25 -1.08 0.00 0.00 179.45 178.12 1i43 n THR 309 N -2.56 1.37 0.07 -0.16 -2.24 -1.06 -4.80 114.28 104.89 1i43 n THR 309 Ca -0.01 -2.12 -0.03 0.00 -2.27 0.00 0.00 64.05 59.62 1i43 n THR 309 Cb 0.10 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 1i43 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i43 h LEU 310 N 0.64 -0.20 -0.92 3.22 5.85 -1.34 -1.16 115.31 121.39 1i43 h LEU 310 Ca -0.05 0.01 0.27 0.00 0.84 0.00 0.00 57.88 58.95 1i43 h LEU 310 Cb 1.25 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.19 1i43 h LEU 310 CO 0.02 -0.12 0.32 1.12 -0.34 0.00 0.00 178.44 179.45 1i43 h HIS 311 N -0.19 0.50 0.20 1.25 2.07 -1.90 0.17 115.15 117.26 1i43 h HIS 311 Ca -0.02 0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.54 1i43 h HIS 311 Cb 0.15 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.06 1i43 h HIS 311 CO 0.05 -0.22 -0.10 -0.07 -3.07 0.00 0.00 177.93 174.52 1i43 h LEU 312 N 0.22 -0.23 0.15 6.12 3.38 -1.89 0.01 115.31 123.07 1i43 h LEU 312 Ca 0.62 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 1i43 h LEU 312 Cb 1.31 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1i43 h LEU 312 CO -0.66 -0.11 -0.07 0.03 0.09 0.00 0.00 178.44 177.71 1i43 h ARG 313 N -0.33 -0.20 -0.18 1.13 3.08 0.32 -2.66 114.38 115.55 1i43 h ARG 313 Ca -0.03 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1i43 h ARG 313 Cb 0.25 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1i43 h ARG 313 CO 0.05 -0.07 -0.12 0.28 -1.07 0.00 0.00 179.97 179.04 1i43 h VAL 314 N -0.27 0.66 -0.59 2.04 2.07 -0.76 -1.13 116.25 118.26 1i43 h VAL 314 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1i43 h VAL 314 Cb 0.21 0.66 -0.12 0.00 -1.52 0.00 0.00 31.29 30.53 1i43 h VAL 314 CO 0.03 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.96 1i43 h GLN 315 N -0.11 -0.08 -0.35 1.57 4.20 -0.86 0.31 115.11 119.79 1i43 h GLN 315 Ca 0.11 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1i43 h GLN 315 Cb 0.27 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1i43 h GLN 315 CO -0.25 -0.05 -0.13 0.37 -0.67 0.00 0.00 178.83 178.10 1i43 h GLN 316 N -0.08 0.71 -0.58 1.46 5.75 -1.16 -3.00 115.11 118.21 1i43 h GLN 316 Ca 0.27 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1i43 h GLN 316 Cb 0.50 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1i43 h GLN 316 CO -0.64 0.89 0.22 1.96 -2.65 0.00 0.00 178.83 178.60 1i43 h GLN 317 N 0.49 0.88 -0.94 1.69 4.20 -0.46 -1.83 115.11 119.13 1i43 h GLN 317 Ca 0.08 -0.17 0.15 0.00 0.06 0.00 0.00 58.65 58.78 1i43 h GLN 317 Cb 0.65 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 1i43 h GLN 317 CO 0.04 0.76 0.60 -0.91 -0.67 0.00 0.00 178.83 178.65 1i43 h ASN 318 N 0.81 0.72 0.11 1.46 2.35 -0.36 -0.00 115.58 120.67 1i43 h ASN 318 Ca 0.19 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1i43 h ASN 318 Cb 0.22 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1i43 h ASN 318 CO -0.01 0.34 -0.05 0.28 -1.65 0.00 0.00 177.43 176.34 1i43 h SER 319 N 0.75 -0.12 -0.97 5.81 0.02 -1.30 -2.69 113.55 115.05 1i43 h SER 319 Ca 0.49 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 61.76 1i43 h SER 319 Cb 0.74 0.03 -0.16 0.00 0.14 0.00 0.00 62.40 63.16 1i43 h SER 319 CO -0.25 -0.00 0.41 0.74 -1.14 0.00 0.00 176.83 176.58 1i43 h THR 320 N -0.31 0.18 0.72 -2.27 2.02 -1.26 0.15 112.91 112.15 1i43 h THR 320 Ca -0.01 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1i43 h THR 320 Cb 0.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1i43 h THR 320 CO 0.02 0.03 -0.41 0.00 0.37 0.00 0.00 175.52 175.53 1i43 h ALA 321 N 1.89 -1.24 0.23 6.16 0.00 -1.07 0.05 119.26 125.27 1i43 h ALA 321 Ca 0.70 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1i43 h ALA 321 Cb 1.63 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.90 1i43 h ALA 321 CO -0.71 -1.19 -0.38 1.25 0.00 0.00 0.00 179.25 178.22 1i43 h LEU 322 N -1.05 -1.09 -0.64 0.00 5.85 -0.70 0.15 115.31 117.84 1i43 h LEU 322 Ca -0.10 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.85 1i43 h LEU 322 Cb 0.83 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 42.12 1i43 h LEU 322 CO 0.12 -0.45 -0.10 0.03 -0.34 0.00 0.00 178.44 177.71 1i43 h ARG 323 N -0.64 0.04 -0.14 1.25 3.08 -1.10 0.11 114.38 116.97 1i43 h ARG 323 Ca -0.03 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1i43 h ARG 323 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1i43 h ARG 323 CO -0.13 0.03 -0.26 0.52 -1.07 0.00 0.00 179.97 179.06 1i43 h MET 324 N 0.04 0.25 0.76 0.04 2.86 -0.78 -2.65 114.93 115.45 1i43 h MET 324 Ca 0.32 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1i43 h MET 324 Cb 0.51 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1i43 h MET 324 CO -0.62 0.50 -0.49 0.00 1.06 0.00 0.00 176.91 177.36 1i43 h ALA 325 N 1.51 -1.26 -0.10 6.32 0.00 0.19 -0.17 119.26 125.75 1i43 h ALA 325 Ca 0.04 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1i43 h ALA 325 Cb 0.58 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1i43 h ALA 325 CO 0.04 -1.23 -0.46 0.93 0.00 0.00 0.00 179.25 178.53 1i43 h GLU 326 N -1.17 -0.53 -0.87 0.00 5.08 -1.32 0.20 114.58 115.97 1i43 h GLU 326 Ca -0.10 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.52 1i43 h GLU 326 Cb 0.95 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.18 1i43 h GLU 326 CO 0.09 -0.35 0.23 0.82 -1.00 0.00 0.00 179.01 178.79 1i43 h ILE 327 N -0.55 0.33 -0.60 3.13 2.04 -1.40 0.33 117.51 120.80 1i43 h ILE 327 Ca 0.06 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1i43 h ILE 327 Cb 0.66 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1i43 h ILE 327 CO -0.39 0.04 0.03 -0.07 0.00 0.00 0.00 178.15 177.76 1i43 h LEU 328 N 0.22 1.00 -0.52 1.44 3.38 0.78 -2.07 115.31 119.54 1i43 h LEU 328 Ca 0.54 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1i43 h LEU 328 Cb 1.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1i43 h LEU 328 CO -0.64 1.05 0.30 -0.08 0.09 0.00 0.00 178.44 179.16 1i43 h GLU 329 N 0.93 0.71 0.00 1.13 4.81 0.25 -2.26 114.58 120.15 1i43 h GLU 329 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1i43 h GLU 329 Cb 0.51 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1i43 h GLU 329 CO 0.02 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 1i43 n ALA 330 N -2.28 1.89 -1.91 2.92 0.00 -0.08 -4.80 120.51 116.26 1i43 n ALA 330 Ca 0.02 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1i43 n ALA 330 Cb 0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1i43 n ALA 330 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1i43 s HIS 331 N -3.21 3.26 0.24 0.00 5.04 -0.79 -4.93 115.29 114.90 1i43 s HIS 331 Ca 0.07 1.36 0.25 0.00 -1.54 0.00 0.00 55.06 55.20 1i43 s HIS 331 Cb 0.11 -3.56 1.09 0.00 0.04 0.00 0.00 32.58 30.25 1i43 s HIS 331 CO 0.46 -1.62 1.90 -1.00 -2.34 0.00 0.00 174.74 172.14 1i43 h PRO 332 N 4.59 0.00 -0.01 2.88 0.13 -1.87 -2.90 132.00 134.83 1i43 h PRO 332 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1i43 h PRO 332 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1i43 h PRO 332 CO 0.72 0.20 -0.16 1.63 -0.23 0.00 0.00 178.00 180.16 1i43 n LYS 333 N -3.49 1.09 -3.59 0.86 5.02 -1.26 -4.73 118.16 112.05 1i43 n LYS 333 Ca -0.01 -0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 55.26 1i43 n LYS 333 Cb 0.37 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 1i43 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i43 s VAL 334 N -2.34 4.52 0.04 -0.18 1.01 -1.09 -0.47 120.40 121.89 1i43 s VAL 334 Ca 0.29 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 1i43 s VAL 334 Cb 0.20 -3.57 -0.16 0.00 0.00 0.00 0.00 36.38 32.85 1i43 s VAL 334 CO 0.46 -0.29 1.47 -0.09 0.00 0.00 0.00 175.10 176.64 1i43 h ARG 335 N 8.44 0.12 -3.38 2.72 2.43 -1.13 -3.45 114.38 120.12 1i43 h ARG 335 Ca -0.25 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.75 1i43 h ARG 335 Cb 1.10 -0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 30.44 1i43 h ARG 335 CO 0.69 0.38 -0.42 -1.58 -1.51 0.00 0.00 179.97 177.53 1i43 s HIS 336 N -5.00 -0.02 -0.04 2.20 5.04 -1.14 -4.97 115.29 111.36 1i43 s HIS 336 Ca -0.14 -0.03 0.02 0.00 -1.54 0.00 0.00 55.06 53.36 1i43 s HIS 336 Cb 0.04 -0.01 0.01 0.00 0.04 0.00 0.00 32.58 32.67 1i43 s HIS 336 CO 0.69 -0.33 -0.08 0.08 -2.34 0.00 0.00 174.74 172.77 1i43 s VAL 337 N -1.44 0.74 -0.22 0.89 1.01 -1.26 0.42 120.40 120.54 1i43 s VAL 337 Ca -0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1i43 s VAL 337 Cb -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1i43 s VAL 337 CO 0.02 0.25 -0.01 -0.31 0.00 0.00 0.00 175.10 175.05 1i43 s TYR 338 N 0.55 3.00 -0.30 5.22 1.51 0.23 -4.89 117.35 122.67 1i43 s TYR 338 Ca -0.09 -0.70 -0.15 0.00 -1.01 0.00 0.00 57.07 55.12 1i43 s TYR 338 Cb -0.12 -2.11 0.17 0.00 -0.11 0.00 0.00 41.96 39.79 1i43 s TYR 338 CO 0.01 -0.42 1.03 -0.47 -1.11 0.00 0.00 175.55 174.59 1i43 s TYR 339 N 1.33 -0.60 0.47 2.71 5.04 -1.26 -2.68 117.35 122.36 1i43 s TYR 339 Ca 0.04 0.99 0.29 0.00 -2.44 0.00 0.00 57.07 55.95 1i43 s TYR 339 Cb -0.14 0.34 1.36 0.00 0.35 0.00 0.00 41.96 43.87 1i43 s TYR 339 CO -0.00 -0.30 1.76 -1.35 -1.34 0.00 0.00 175.55 174.31 1i43 h PRO 340 N 7.49 0.17 0.00 4.97 0.11 -1.85 0.15 132.00 143.05 1i43 h PRO 340 Ca -0.15 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 1i43 h PRO 340 Cb 1.12 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1i43 h PRO 340 CO 0.07 0.11 -0.17 0.78 -0.21 0.00 0.00 178.00 178.58 1i43 h GLY 341 N 0.17 0.00 -1.74 -0.55 0.00 -1.94 -3.42 103.07 95.58 1i43 h GLY 341 Ca 0.63 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.47 1i43 h GLY 341 CO -0.18 0.00 0.38 1.08 0.00 0.00 0.00 176.54 177.82 1i43 s LEU 342 N -7.52 3.52 0.44 3.11 1.43 0.54 -4.95 118.68 115.25 1i43 s LEU 342 Ca -0.03 1.81 0.24 0.00 -1.03 0.00 0.00 54.13 55.12 1i43 s LEU 342 Cb 0.13 -4.53 0.45 0.00 0.03 0.00 0.00 46.19 42.27 1i43 s LEU 342 CO 0.62 -1.12 1.65 1.56 0.23 0.00 0.00 176.35 179.29 1i43 h GLN 343 N 0.51 0.00 0.00 1.70 4.20 -1.85 -3.14 115.11 116.52 1i43 h GLN 343 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1i43 h GLN 343 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1i43 h GLN 343 CO 0.58 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.61 1i43 n SER 344 N -3.07 0.00 -4.72 1.46 3.41 -1.26 -4.82 113.62 104.62 1i43 n SER 344 Ca 0.04 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 1i43 n SER 344 Cb 0.50 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1i43 n SER 344 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1i43 s HIS 345 N -2.69 3.58 0.27 7.33 5.04 -1.19 -4.95 115.29 122.68 1i43 s HIS 345 Ca 0.22 1.54 -0.05 0.00 -1.54 0.00 0.00 55.06 55.23 1i43 s HIS 345 Cb 0.17 -3.25 0.53 0.00 0.04 0.00 0.00 32.58 30.07 1i43 s HIS 345 CO 0.42 -0.56 1.60 -1.35 -2.34 0.00 0.00 174.74 172.51 1i43 h PRO 346 N 6.54 0.05 -0.54 2.88 0.11 -1.92 -0.70 132.00 138.41 1i43 h PRO 346 Ca -0.42 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 1i43 h PRO 346 Cb 1.22 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 1i43 h PRO 346 CO 0.77 0.03 0.15 -0.85 -0.21 0.00 0.00 178.00 177.89 1i43 n GLU 347 N -5.45 2.82 -0.32 1.05 0.00 -1.26 -4.65 120.64 112.82 1i43 n GLU 347 Ca 0.17 -3.05 0.26 0.00 0.00 0.00 0.00 57.16 54.53 1i43 n GLU 347 Cb 0.56 -2.01 0.56 0.00 0.00 0.00 0.00 31.44 30.55 1i43 n GLU 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1i43 h HIS 348 N 1.78 0.52 -0.16 -1.84 2.76 -1.37 0.58 115.15 117.41 1i43 h HIS 348 Ca 0.23 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.30 1i43 h HIS 348 Cb 1.99 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.79 1i43 h HIS 348 CO 1.06 0.04 -0.42 1.12 -1.30 0.00 0.00 177.93 178.43 1i43 h HIS 349 N 0.30 0.45 0.04 5.26 2.07 -1.82 -0.14 115.15 121.30 1i43 h HIS 349 Ca 0.59 -0.13 -0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1i43 h HIS 349 Cb 1.68 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 31.56 1i43 h HIS 349 CO -0.00 0.74 -0.02 0.82 -3.07 0.00 0.00 177.93 176.39 1i43 h ILE 350 N 0.31 1.34 -0.63 6.12 2.04 -0.32 -2.36 117.51 124.02 1i43 h ILE 350 Ca 0.03 -1.47 0.11 0.00 1.00 0.00 0.00 64.86 64.53 1i43 h ILE 350 Cb 0.87 2.28 -0.09 0.00 -0.74 0.00 0.00 36.82 39.15 1i43 h ILE 350 CO 0.07 0.36 0.18 0.00 0.00 0.00 0.00 178.15 178.76 1i43 h ALA 351 N 0.14 0.79 0.00 1.87 0.00 -0.83 0.98 119.26 122.20 1i43 h ALA 351 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1i43 h ALA 351 Cb 0.63 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1i43 h ALA 351 CO 0.01 -0.27 -0.13 -0.22 0.00 0.00 0.00 179.25 178.64 1i43 h LYS 352 N 0.32 0.00 0.00 0.00 3.64 -1.03 0.21 116.57 119.72 1i43 h LYS 352 Ca 0.33 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.45 1i43 h LYS 352 Cb 0.48 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1i43 h LYS 352 CO -0.38 0.13 -1.47 -0.22 -2.27 0.00 0.00 179.45 175.23 1i43 h LYS 353 N 0.00 0.01 -0.06 1.90 3.64 -0.34 -3.38 116.57 118.34 1i43 h LYS 353 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1i43 h LYS 353 Cb 0.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1i43 h LYS 353 CO 0.02 0.68 0.00 0.00 -2.27 0.00 0.00 179.45 177.88 1i43 n GLN 354 N -3.16 0.70 -4.34 1.90 10.64 -0.03 -5.02 117.38 118.07 1i43 n GLN 354 Ca -0.11 -1.18 -0.24 0.00 -1.83 0.00 0.00 57.00 53.64 1i43 n GLN 354 Cb 1.02 -1.17 -0.12 0.00 -0.86 0.00 0.00 30.24 29.11 1i43 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i43 s MET 355 N -0.75 1.30 -0.00 2.61 -1.94 0.73 -4.61 119.30 116.63 1i43 s MET 355 Ca 0.11 -1.37 0.10 0.00 -1.71 0.00 0.00 55.69 52.82 1i43 s MET 355 Cb 0.07 -1.49 -0.12 0.00 2.01 0.00 0.00 34.83 35.31 1i43 s MET 355 CO 0.11 0.32 0.42 0.25 -0.01 0.00 0.00 175.02 176.10 1i43 n THR 356 N 0.51 0.00 -4.09 2.05 -2.24 -0.49 -4.71 114.28 105.30 1i43 n THR 356 Ca -0.15 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.23 1i43 n THR 356 Cb 0.56 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.67 1i43 n THR 356 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1i43 s GLY 357 N -2.09 1.44 -0.06 3.38 0.00 -1.25 -5.04 107.32 103.69 1i43 s GLY 357 Ca 0.03 -1.49 0.12 0.00 0.00 0.00 0.00 44.72 43.37 1i43 s GLY 357 CO 0.42 -1.00 1.10 0.69 0.00 0.00 0.00 173.10 174.32 1i43 n PHE 358 N -0.54 0.00 -0.14 1.90 3.72 -1.26 -4.95 117.46 116.19 1i43 n PHE 358 Ca 0.01 -0.56 0.02 0.00 -0.05 0.00 0.00 57.45 56.87 1i43 n PHE 358 Cb 0.62 -0.12 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1i43 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i43 n GLY 359 N -0.41 -1.56 0.42 1.37 0.00 -1.26 -4.67 105.19 99.09 1i43 n GLY 359 Ca 0.08 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.65 1i43 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i43 n GLY 360 N -1.76 1.02 3.83 -0.02 0.00 -1.26 -4.14 105.19 102.85 1i43 n GLY 360 Ca -0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1i43 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i43 s ALA 361 N -0.86 3.70 -0.07 4.61 0.00 -1.26 -2.23 121.76 125.65 1i43 s ALA 361 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 1i43 s ALA 361 Cb 0.08 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.88 1i43 s ALA 361 CO 0.12 0.46 0.14 0.08 0.00 0.00 0.00 175.76 176.56 1i43 s VAL 362 N -0.95 -0.11 0.07 0.00 1.01 -0.41 -4.95 120.40 115.06 1i43 s VAL 362 Ca 0.23 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1i43 s VAL 362 Cb -0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1i43 s VAL 362 CO 0.12 0.10 -0.06 -0.44 0.00 0.00 0.00 175.10 174.82 1i43 s SER 363 N 1.53 4.65 0.08 3.32 0.01 -1.09 -0.39 113.70 121.81 1i43 s SER 363 Ca -0.05 -0.25 -0.26 0.00 1.31 0.00 0.00 55.95 56.70 1i43 s SER 363 Cb -0.12 -1.02 0.07 0.00 0.21 0.00 0.00 66.02 65.16 1i43 s SER 363 CO -0.06 0.21 0.65 0.72 0.41 0.00 0.00 173.24 175.17 1i43 s PHE 364 N -1.17 -0.57 -0.14 2.43 -0.71 -0.70 0.77 117.98 117.89 1i43 s PHE 364 Ca 0.21 0.59 -0.03 0.00 -1.04 0.00 0.00 56.93 56.66 1i43 s PHE 364 Cb -0.11 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1i43 s PHE 364 CO 0.13 -0.75 -0.03 -1.21 -1.34 0.00 0.00 175.22 172.03 1i43 s GLU 365 N -2.83 3.55 0.43 1.99 2.02 0.17 -0.77 118.70 123.26 1i43 s GLU 365 Ca -0.03 -0.50 -0.09 0.00 0.02 0.00 0.00 54.97 54.38 1i43 s GLU 365 Cb -0.01 -2.90 -0.06 0.00 0.10 0.00 0.00 34.13 31.27 1i43 s GLU 365 CO -0.05 0.33 0.78 0.08 0.02 0.00 0.00 175.26 176.42 1i43 s VAL 366 N 0.13 4.82 -1.44 2.63 1.01 -1.18 -0.67 120.40 125.70 1i43 s VAL 366 Ca -0.01 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1i43 s VAL 366 Cb -0.13 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.53 1i43 s VAL 366 CO 0.03 -0.62 2.26 -0.67 0.00 0.00 0.00 175.10 176.09 1i43 n ASP 367 N -1.58 5.00 0.00 3.32 2.03 0.38 -4.55 116.55 121.15 1i43 n ASP 367 Ca 0.02 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.45 1i43 n ASP 367 Cb 0.54 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 1i43 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i43 n GLY 368 N 3.62 2.71 2.43 0.27 0.00 -1.26 -5.03 105.19 107.92 1i43 n GLY 368 Ca 0.53 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1i43 n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i43 n ASP 369 N 0.00 2.29 -0.24 1.61 5.75 -1.26 -4.81 116.55 119.89 1i43 n ASP 369 Ca 0.00 -2.52 0.01 0.00 -0.01 0.00 0.00 54.79 52.27 1i43 n ASP 369 Cb 0.00 0.42 0.08 0.00 -1.03 0.00 0.00 41.12 40.58 1i43 n ASP 369 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1i43 h LEU 370 N 0.00 -0.68 0.16 -2.12 7.12 -1.99 0.32 115.31 118.12 1i43 h LEU 370 Ca -0.26 0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 1i43 h LEU 370 Cb 0.86 0.45 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1i43 h LEU 370 CO 0.43 -0.24 -0.08 -0.07 -0.13 0.00 0.00 178.44 178.36 1i43 h LEU 371 N -0.01 -0.18 0.17 2.25 -0.00 -1.96 -2.51 115.31 113.07 1i43 h LEU 371 Ca 0.34 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1i43 h LEU 371 Cb 0.52 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 1i43 h LEU 371 CO -0.73 0.10 -0.12 0.74 -0.00 0.00 0.00 178.44 178.43 1i43 h THR 372 N -0.48 0.74 -0.83 0.22 2.02 -1.77 -1.55 112.91 111.26 1i43 h THR 372 Ca -0.02 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.31 1i43 h THR 372 Cb 0.37 0.74 -0.10 0.00 -1.74 0.00 0.00 68.15 67.43 1i43 h THR 372 CO 0.04 0.00 0.40 0.74 0.37 0.00 0.00 175.52 177.07 1i43 h THR 373 N -0.29 0.69 -0.41 3.16 2.02 -0.46 0.14 112.91 117.76 1i43 h THR 373 Ca -0.01 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.99 1i43 h THR 373 Cb 0.25 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1i43 h THR 373 CO 0.00 0.10 0.25 0.00 0.37 0.00 0.00 175.52 176.25 1i43 h ALA 374 N 1.57 0.52 -0.62 6.16 0.00 -1.03 -1.17 119.26 124.68 1i43 h ALA 374 Ca 0.46 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.53 1i43 h ALA 374 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1i43 h ALA 374 CO -0.38 -0.06 0.50 -0.22 0.00 0.00 0.00 179.25 179.08 1i43 h LYS 375 N 0.52 0.00 0.11 0.00 3.64 0.27 -0.05 116.57 121.05 1i43 h LYS 375 Ca 0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1i43 h LYS 375 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1i43 h LYS 375 CO -0.06 0.00 -0.05 0.35 -2.27 0.00 0.00 179.45 177.42 1i43 h PHE 376 N 0.00 -0.13 -0.29 1.91 3.57 -0.61 -3.00 116.94 118.39 1i43 h PHE 376 Ca 0.30 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1i43 h PHE 376 Cb 1.29 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1i43 h PHE 376 CO 0.00 0.37 0.16 -0.39 -2.23 0.00 0.00 178.31 176.22 1i43 h VAL 377 N -0.84 1.09 0.00 1.41 -1.51 -1.10 -0.73 116.25 114.57 1i43 h VAL 377 Ca -0.01 -0.23 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1i43 h VAL 377 Cb 0.57 0.70 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1i43 h VAL 377 CO 0.02 0.10 -0.13 0.44 -1.23 0.00 0.00 177.57 176.77 1i43 h ASP 378 N 0.39 0.00 0.94 4.19 5.19 -1.10 -2.67 116.42 123.37 1i43 h ASP 378 Ca 0.10 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.31 1i43 h ASP 378 Cb 0.01 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 1i43 h ASP 378 CO -0.02 0.13 -0.96 0.00 -3.12 0.00 0.00 179.24 175.27 1i43 h ALA 379 N 1.87 0.41 -2.71 3.45 0.00 -0.98 -3.46 119.26 117.84 1i43 h ALA 379 Ca -0.00 -0.87 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 1i43 h ALA 379 Cb 0.54 -0.15 0.17 0.00 0.00 0.00 0.00 17.79 18.36 1i43 h ALA 379 CO 0.02 1.19 -0.01 1.28 0.00 0.00 0.00 179.25 181.73 1i43 n LEU 380 N -3.41 2.98 0.00 0.00 4.77 -1.01 -4.85 117.00 115.49 1i43 n LEU 380 Ca -0.00 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1i43 n LEU 380 Cb 0.90 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1i43 n LEU 380 CO 0.47 -2.22 -0.21 0.29 -1.33 0.00 0.00 177.39 174.39 1i43 n LYS 381 N -1.15 2.99 -0.09 3.23 5.02 -1.26 -4.90 118.16 121.99 1i43 n LYS 381 Ca 0.13 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1i43 n LYS 381 Cb 0.48 -0.65 -0.06 0.00 -0.02 0.00 0.00 35.03 34.79 1i43 n LYS 381 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i43 n ILE 382 N -0.86 1.48 -1.94 -0.18 5.41 -1.26 -4.98 119.36 117.02 1i43 n ILE 382 Ca 0.00 0.06 -0.32 0.00 1.00 0.00 0.00 62.75 63.49 1i43 n ILE 382 Cb 0.00 -2.21 0.02 0.00 -0.71 0.00 0.00 39.64 36.74 1i43 n ILE 382 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1i43 s PRO 383 N -2.38 3.22 0.13 0.38 0.04 -1.26 -4.74 135.00 130.39 1i43 s PRO 383 Ca -0.24 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.88 1i43 s PRO 383 Cb 0.05 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1i43 s PRO 383 CO 0.40 -0.89 0.43 0.71 0.04 0.00 0.00 177.00 177.70 1i43 s TYR 384 N -2.56 3.52 -0.79 0.56 2.02 -0.04 -4.82 117.35 115.25 1i43 s TYR 384 Ca 0.63 0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 57.88 1i43 s TYR 384 Cb -0.16 -2.15 0.10 0.00 -0.40 0.00 0.00 41.96 39.35 1i43 s TYR 384 CO 0.40 0.44 1.04 0.42 -1.57 0.00 0.00 175.55 176.28 1i43 s ILE 385 N -1.56 4.53 0.23 2.71 1.01 -1.26 -0.63 121.20 126.22 1i43 s ILE 385 Ca 0.38 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 1i43 s ILE 385 Cb -0.13 -4.73 0.05 0.00 0.01 0.00 0.00 42.46 37.66 1i43 s ILE 385 CO 0.21 -1.47 0.86 0.00 0.00 0.00 0.00 174.94 174.53 1i43 s ALA 386 N 3.38 -1.40 1.00 9.38 0.00 -0.85 -4.97 121.76 128.30 1i43 s ALA 386 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1i43 s ALA 386 Cb -0.11 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1i43 s ALA 386 CO 0.00 -1.04 0.00 -2.30 0.00 0.00 0.00 175.76 172.42 1i43 n PRO 387 N -0.49 0.64 -1.30 0.00 -0.02 -1.26 -4.41 135.00 128.16 1i43 n PRO 387 Ca -0.05 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.60 1i43 n PRO 387 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.03 1i43 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i43 n SER 388 N -0.72 -7.64 -3.61 2.55 2.88 -1.26 -4.96 113.62 100.86 1i43 n SER 388 Ca 0.00 0.64 -0.01 0.00 -1.33 0.00 0.00 58.87 58.17 1i43 n SER 388 Cb 0.00 -4.07 -0.01 0.00 -0.75 0.00 0.00 64.21 59.38 1i43 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i43 s PHE 389 N -2.45 -0.05 0.00 0.66 -0.12 -1.26 -4.94 117.98 109.81 1i43 s PHE 389 Ca 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1i43 s PHE 389 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1i43 s PHE 389 CO 0.00 -0.14 0.00 0.41 -0.05 0.00 0.00 175.22 175.44 1i43 n GLY 390 N -0.25 2.32 3.91 1.99 0.00 -1.26 -4.24 105.19 107.65 1i43 n GLY 390 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1i43 n GLY 390 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i43 s GLY 391 N -2.38 1.64 0.34 -0.02 0.00 -1.26 -4.39 107.32 101.25 1i43 s GLY 391 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1i43 s GLY 391 CO 0.00 -0.25 1.97 0.00 0.00 0.00 0.00 173.10 174.82 1i43 s GLU 393 N -5.78 4.67 0.39 0.00 8.01 -1.26 0.31 118.70 125.04 1i43 s GLU 393 Ca -0.10 1.55 -0.24 0.00 0.01 0.00 0.00 54.97 56.19 1i43 s GLU 393 Cb 0.18 -3.34 -0.10 0.00 -4.31 0.00 0.00 34.13 26.57 1i43 s GLU 393 CO 0.78 0.19 0.99 -1.12 0.01 0.00 0.00 175.26 176.10 1i43 s SER 394 N -0.11 6.95 0.06 -0.19 0.01 -1.26 -4.34 113.70 114.82 1i43 s SER 394 Ca 0.47 1.87 0.03 0.00 1.31 0.00 0.00 55.95 59.64 1i43 s SER 394 Cb -0.26 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 1i43 s SER 394 CO 0.32 -0.35 -0.09 -0.63 0.41 0.00 0.00 173.24 172.89 1i43 s ILE 395 N -1.81 0.71 0.06 1.44 1.01 -0.06 -0.86 121.20 121.68 1i43 s ILE 395 Ca 0.57 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1i43 s ILE 395 Cb -0.17 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1i43 s ILE 395 CO 0.22 -0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.00 1i43 s VAL 396 N -1.69 0.40 -0.21 2.92 1.01 0.20 0.17 120.40 123.20 1i43 s VAL 396 Ca -0.05 -1.72 -0.36 0.00 0.00 0.00 0.00 61.98 59.85 1i43 s VAL 396 Cb -0.08 -1.40 0.14 0.00 0.00 0.00 0.00 36.38 35.04 1i43 s VAL 396 CO 0.00 -0.87 1.24 1.51 0.00 0.00 0.00 175.10 176.98 1i43 s ASP 397 N -2.74 -0.12 -0.63 3.32 -4.77 -1.09 -2.00 116.67 108.65 1i43 s ASP 397 Ca 0.05 -0.00 -0.06 0.00 -3.30 0.00 0.00 52.55 49.24 1i43 s ASP 397 Cb 0.04 0.12 0.16 0.00 -1.09 0.00 0.00 42.92 42.16 1i43 s ASP 397 CO -0.07 -0.20 0.48 -1.10 0.70 0.00 0.00 175.17 174.98 1i43 s GLN 398 N -2.36 2.73 0.34 2.11 -0.21 -1.26 -1.82 119.66 119.19 1i43 s GLN 398 Ca 0.10 -2.34 0.22 0.00 0.02 0.00 0.00 55.36 53.36 1i43 s GLN 398 Cb -0.01 -3.90 1.21 0.00 1.00 0.00 0.00 33.01 31.31 1i43 s GLN 398 CO -0.04 -1.20 1.34 -2.30 -2.12 0.00 0.00 175.29 170.98 1i43 n PRO 399 N 3.91 -0.04 -0.09 2.91 -0.02 -1.26 0.15 135.00 140.56 1i43 n PRO 399 Ca 0.06 1.13 -0.06 0.00 -2.02 0.00 0.00 63.50 62.61 1i43 n PRO 399 Cb 0.40 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1i43 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i43 h ALA 400 N 1.56 0.19 0.11 3.55 0.00 -1.84 -0.56 119.26 122.26 1i43 h ALA 400 Ca 0.74 0.13 -0.21 0.00 0.00 0.00 0.00 54.91 55.56 1i43 h ALA 400 Cb 2.15 0.28 0.01 0.00 0.00 0.00 0.00 17.79 20.22 1i43 h ALA 400 CO -0.54 -0.48 -1.04 0.82 0.00 0.00 0.00 179.25 178.01 1i43 h ILE 401 N -0.03 1.30 0.27 0.00 2.04 0.11 -1.57 117.51 119.63 1i43 h ILE 401 Ca 0.16 -2.45 -0.01 0.00 1.00 0.00 0.00 64.86 63.56 1i43 h ILE 401 Cb 0.27 2.96 -0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1i43 h ILE 401 CO -0.35 0.68 -0.16 0.24 0.00 0.00 0.00 178.15 178.56 1i43 h MET 402 N -0.42 -0.40 0.00 2.37 2.86 -0.50 -3.32 114.93 115.52 1i43 h MET 402 Ca -0.21 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1i43 h MET 402 Cb 1.63 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1i43 h MET 402 CO 0.08 -0.27 0.00 0.43 1.06 0.00 0.00 176.91 178.22 1i43 n SER 403 N -5.29 1.75 -0.13 1.22 7.64 -0.25 -4.75 113.62 113.80 1i43 n SER 403 Ca -0.09 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1i43 n SER 403 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1i43 n SER 403 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1i43 n TYR 404 N -0.43 0.00 0.30 1.43 4.02 -0.99 -4.83 117.16 116.66 1i43 n TYR 404 Ca 0.00 -0.06 0.17 0.00 -0.01 0.00 0.00 57.90 58.00 1i43 n TYR 404 Cb 0.27 -0.02 0.94 0.00 -0.02 0.00 0.00 39.34 40.50 1i43 n TYR 404 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1i43 h TRP 405 N 0.00 0.00 0.00 -0.72 -0.00 -1.39 -1.72 115.95 112.13 1i43 h TRP 405 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1i43 h TRP 405 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.23 1i43 h TRP 405 CO 0.03 0.03 0.00 -0.40 -0.00 0.00 0.00 178.44 178.10 1i43 n ASP 406 N -3.54 0.42 -4.95 2.65 5.75 -1.26 -4.77 116.55 110.85 1i43 n ASP 406 Ca -0.02 0.60 -0.21 0.00 -0.01 0.00 0.00 54.79 55.14 1i43 n ASP 406 Cb 0.13 -0.69 -0.02 0.00 -1.03 0.00 0.00 41.12 39.51 1i43 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i43 s LEU 407 N -3.91 4.20 0.43 -2.12 1.43 -0.65 -5.10 118.68 112.97 1i43 s LEU 407 Ca 0.06 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 1i43 s LEU 407 Cb 0.10 -2.76 -0.10 0.00 0.03 0.00 0.00 46.19 43.46 1i43 s LEU 407 CO 0.36 -0.10 0.97 -0.94 0.23 0.00 0.00 176.35 176.88 1i43 s SER 408 N -3.97 6.85 0.41 2.29 1.04 -1.26 -4.82 113.70 114.24 1i43 s SER 408 Ca 0.35 1.76 0.24 0.00 0.48 0.00 0.00 55.95 58.78 1i43 s SER 408 Cb -0.09 -2.55 1.28 0.00 0.10 0.00 0.00 66.02 64.76 1i43 s SER 408 CO 0.28 -0.43 1.68 -0.61 0.98 0.00 0.00 173.24 175.15 1i43 h GLN 409 N 1.96 0.21 -0.09 4.02 4.15 -1.96 0.24 115.11 123.64 1i43 h GLN 409 Ca -0.49 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 58.78 1i43 h GLN 409 Cb 1.19 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.84 1i43 h GLN 409 CO 0.61 0.14 -0.48 0.66 -1.93 0.00 0.00 178.83 177.82 1i43 h SER 410 N 0.21 0.59 0.38 -0.69 4.64 -1.99 -2.38 113.55 114.31 1i43 h SER 410 Ca 0.73 -0.65 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1i43 h SER 410 Cb 2.10 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 1i43 h SER 410 CO -0.40 1.14 -0.24 0.44 -0.87 0.00 0.00 176.83 176.90 1i43 h ASP 411 N 0.07 0.00 0.06 4.97 3.32 -1.03 -1.44 116.42 122.37 1i43 h ASP 411 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1i43 h ASP 411 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1i43 h ASP 411 CO 0.10 0.24 -0.03 0.03 -1.72 0.00 0.00 179.24 177.86 1i43 h ARG 412 N 0.00 -0.08 0.00 3.56 3.08 -0.75 -3.08 114.38 117.12 1i43 h ARG 412 Ca -0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1i43 h ARG 412 Cb 0.49 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1i43 h ARG 412 CO 0.03 0.42 -0.08 0.00 -1.07 0.00 0.00 179.97 179.26 1i43 h ALA 413 N 0.24 1.61 0.00 0.04 0.00 -1.25 -1.31 119.26 118.58 1i43 h ALA 413 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i43 h ALA 413 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i43 h ALA 413 CO 0.01 0.11 0.24 -0.22 0.00 0.00 0.00 179.25 179.39 1i43 h LYS 414 N 0.00 0.00 -0.50 0.00 3.64 -1.16 -2.22 116.57 116.33 1i43 h LYS 414 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1i43 h LYS 414 Cb 0.18 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.60 1i43 h LYS 414 CO 0.01 0.00 -1.00 0.66 -2.27 0.00 0.00 179.45 176.85 1i43 n TYR 415 N -2.54 1.64 0.00 1.91 4.01 -0.50 -5.01 117.16 116.66 1i43 n TYR 415 Ca -0.02 -2.07 0.00 0.00 -0.16 0.00 0.00 57.90 55.66 1i43 n TYR 415 Cb 0.28 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1i43 n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i43 n GLY 416 N -0.59 2.40 3.63 2.72 0.00 -0.84 -4.97 105.19 107.54 1i43 n GLY 416 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1i43 n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i43 s ILE 417 N -0.43 3.40 0.12 -0.61 -1.09 -1.19 -4.94 121.20 116.46 1i43 s ILE 417 Ca 0.00 0.46 0.07 0.00 -2.23 0.00 0.00 60.65 58.95 1i43 s ILE 417 Cb 0.00 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 1i43 s ILE 417 CO 0.00 -0.16 -0.09 -0.04 -1.23 0.00 0.00 174.94 173.42 1i43 s MET 418 N 4.96 2.14 0.00 2.79 -1.94 -1.26 -3.60 119.30 122.39 1i43 s MET 418 Ca 0.81 -1.06 0.05 0.00 -1.71 0.00 0.00 55.69 53.78 1i43 s MET 418 Cb -0.31 -2.29 0.25 0.00 2.01 0.00 0.00 34.83 34.49 1i43 s MET 418 CO 0.33 0.49 0.98 -0.25 -0.01 0.00 0.00 175.02 176.56 1i43 n ASP 419 N 0.55 0.00 0.03 3.03 9.92 -1.26 -1.58 116.55 127.25 1i43 n ASP 419 Ca -0.13 0.20 -0.22 0.00 -0.53 0.00 0.00 54.79 54.11 1i43 n ASP 419 Cb 0.53 -0.27 -0.14 0.00 -0.64 0.00 0.00 41.12 40.59 1i43 n ASP 419 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1i43 h ASN 420 N 0.00 0.50 -2.20 -2.24 -0.26 -1.87 -3.34 115.58 106.17 1i43 h ASN 420 Ca 0.00 -0.94 -0.63 0.00 -0.56 0.00 0.00 56.30 54.17 1i43 h ASN 420 Cb 0.04 -0.16 0.08 0.00 -1.06 0.00 0.00 38.32 37.22 1i43 h ASN 420 CO 0.00 1.82 0.36 -0.11 -1.06 0.00 0.00 177.43 178.45 1i43 n LEU 421 N -3.56 2.03 -3.73 1.61 7.94 -0.61 -3.13 117.00 117.55 1i43 n LEU 421 Ca -0.29 1.14 -0.22 0.00 -1.11 0.00 0.00 56.01 55.54 1i43 n LEU 421 Cb 1.05 -1.29 -0.18 0.00 0.53 0.00 0.00 43.42 43.54 1i43 n LEU 421 CO 0.46 -1.06 -0.36 -0.69 -1.11 0.00 0.00 177.39 174.63 1i43 s VAL 422 N -0.21 0.16 -0.27 1.96 1.01 0.05 -4.31 120.40 118.80 1i43 s VAL 422 Ca 0.71 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 1i43 s VAL 422 Cb -0.78 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1i43 s VAL 422 CO 0.52 0.23 0.29 -0.60 0.00 0.00 0.00 175.10 175.53 1i43 s ARG 423 N 2.06 4.00 -0.20 2.72 3.52 -0.76 -1.72 118.95 128.58 1i43 s ARG 423 Ca 0.05 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.50 1i43 s ARG 423 Cb -0.12 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1i43 s ARG 423 CO -0.04 -0.20 -0.05 0.12 -0.81 0.00 0.00 175.30 174.32 1i43 s PHE 424 N 1.82 2.96 -0.54 5.12 2.19 0.47 -2.68 117.98 127.33 1i43 s PHE 424 Ca 0.12 -0.72 -0.11 0.00 0.33 0.00 0.00 56.93 56.55 1i43 s PHE 424 Cb -0.16 -2.05 0.14 0.00 -1.31 0.00 0.00 43.02 39.64 1i43 s PHE 424 CO 0.10 -0.38 0.44 0.45 1.83 0.00 0.00 175.22 177.66 1i43 s SER 425 N 1.09 5.92 -0.03 6.13 0.15 0.13 -1.28 113.70 125.80 1i43 s SER 425 Ca 0.01 -2.03 -0.30 0.00 0.70 0.00 0.00 55.95 54.33 1i43 s SER 425 Cb -0.15 -2.08 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1i43 s SER 425 CO -0.00 -0.70 1.63 -0.36 1.20 0.00 0.00 173.24 175.01 1i43 s PHE 426 N 1.19 2.11 0.00 3.44 0.08 -0.95 -0.89 117.98 122.97 1i43 s PHE 426 Ca 0.07 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.38 1i43 s PHE 426 Cb -0.25 -3.90 0.00 0.00 -0.57 0.00 0.00 43.02 38.30 1i43 s PHE 426 CO -0.01 -3.75 0.00 0.41 -0.10 0.00 0.00 175.22 171.77 1i43 n GLY 427 N 4.07 -1.08 0.00 4.36 0.00 -1.26 -4.85 105.19 106.43 1i43 n GLY 427 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1i43 n GLY 427 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i43 n VAL 428 N 0.00 0.00 -0.58 1.61 3.14 0.15 -4.57 118.33 118.09 1i43 n VAL 428 Ca 0.00 -0.34 -0.27 0.00 -2.96 0.00 0.00 64.34 60.77 1i43 n VAL 428 Cb 0.00 1.28 0.18 0.00 -1.06 0.00 0.00 33.84 34.23 1i43 n VAL 428 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1i43 n GLU 429 N -0.09 -2.16 -2.39 1.45 4.71 -1.26 -4.87 120.64 116.03 1i43 n GLU 429 Ca 0.00 -0.63 -0.42 0.00 -0.01 0.00 0.00 57.16 56.11 1i43 n GLU 429 Cb 0.07 -1.64 -0.03 0.00 -1.01 0.00 0.00 31.44 28.83 1i43 n GLU 429 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1i43 s ASP 430 N -2.00 7.07 0.18 1.62 2.15 -1.26 -4.94 116.67 119.49 1i43 s ASP 430 Ca 0.50 2.14 -0.23 0.00 0.43 0.00 0.00 52.55 55.39 1i43 s ASP 430 Cb -0.10 -2.59 0.08 0.00 -0.30 0.00 0.00 42.92 40.01 1i43 s ASP 430 CO 0.54 -0.42 1.58 0.15 -0.17 0.00 0.00 175.17 176.84 1i43 h PHE 431 N 5.98 -1.11 -0.61 -5.34 3.57 -1.98 -1.45 116.94 116.00 1i43 h PHE 431 Ca -0.43 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.27 1i43 h PHE 431 Cb 1.21 0.57 -0.10 0.00 2.79 0.00 0.00 35.95 40.42 1i43 h PHE 431 CO 0.64 -0.41 0.03 -0.44 -2.23 0.00 0.00 178.31 175.91 1i43 h ASP 432 N -0.20 -0.20 -0.74 0.41 3.32 -1.98 0.49 116.42 117.50 1i43 h ASP 432 Ca 0.20 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.40 1i43 h ASP 432 Cb 0.56 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1i43 h ASP 432 CO -0.68 -0.09 0.49 0.44 -1.72 0.00 0.00 179.24 177.69 1i43 h ASP 433 N 0.15 0.85 0.07 6.45 3.32 -1.68 -0.35 116.42 125.23 1i43 h ASP 433 Ca 0.32 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1i43 h ASP 433 Cb 0.52 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1i43 h ASP 433 CO -0.50 0.62 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.54 1i43 h LEU 434 N 1.00 -0.08 -0.08 1.55 3.38 -0.56 -2.38 115.31 118.13 1i43 h LEU 434 Ca 0.27 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1i43 h LEU 434 Cb -0.11 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1i43 h LEU 434 CO -0.06 0.40 -0.45 0.50 0.09 0.00 0.00 178.44 178.92 1i43 h LYS 435 N -0.59 -0.53 -0.83 1.13 3.64 0.05 0.80 116.57 120.24 1i43 h LYS 435 Ca -0.01 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 1i43 h LYS 435 Cb 0.50 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.34 1i43 h LYS 435 CO 0.02 -0.35 0.39 0.00 -2.27 0.00 0.00 179.45 177.23 1i43 h ALA 436 N -0.03 1.25 0.26 5.00 0.00 -1.13 0.51 119.26 125.12 1i43 h ALA 436 Ca 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1i43 h ALA 436 Cb 0.65 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1i43 h ALA 436 CO -0.37 -0.18 -0.12 0.22 0.00 0.00 0.00 179.25 178.80 1i43 h ASP 437 N 0.53 -0.29 -0.52 0.00 3.58 -0.66 0.12 116.42 119.17 1i43 h ASP 437 Ca 0.47 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.91 1i43 h ASP 437 Cb 0.73 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 1i43 h ASP 437 CO -0.41 -0.15 0.29 0.40 -2.88 0.00 0.00 179.24 176.49 1i43 h ILE 438 N -0.41 1.02 0.64 2.25 2.04 -0.01 0.38 117.51 123.42 1i43 h ILE 438 Ca -0.04 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1i43 h ILE 438 Cb 0.31 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1i43 h ILE 438 CO 0.06 0.11 -0.31 -0.07 0.00 0.00 0.00 178.15 177.93 1i43 h LEU 439 N 0.58 -0.73 -0.98 1.44 3.38 -0.82 0.41 115.31 118.59 1i43 h LEU 439 Ca 0.21 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.41 1i43 h LEU 439 Cb 0.06 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 1i43 h LEU 439 CO -0.12 -0.43 0.55 -0.61 0.09 0.00 0.00 178.44 177.92 1i43 h GLN 440 N -1.01 0.54 -0.29 1.13 -0.00 -0.65 0.33 115.11 115.17 1i43 h GLN 440 Ca -0.09 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.45 1i43 h GLN 440 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.05 1i43 h GLN 440 CO 0.14 0.36 -0.13 0.00 0.00 0.00 0.00 178.83 179.20 1i43 h ALA 441 N 1.72 0.41 0.00 3.38 0.00 -0.60 -2.97 119.26 121.19 1i43 h ALA 441 Ca 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1i43 h ALA 441 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1i43 h ALA 441 CO -0.48 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.34 1i43 n LEU 442 N -4.42 1.98 0.00 0.00 4.77 0.14 -2.20 117.00 117.27 1i43 n LEU 442 Ca -0.03 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1i43 n LEU 442 Cb 0.37 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1i43 n LEU 442 CO 0.42 0.34 0.08 0.47 -1.33 0.00 0.00 177.39 177.36 1i43 n ASP 443 N 0.79 0.33 -0.57 -1.43 9.92 -1.11 -4.73 116.55 119.75 1i43 n ASP 443 Ca 0.00 -0.95 0.09 0.00 -0.53 0.00 0.00 54.79 53.40 1i43 n ASP 443 Cb 0.31 0.02 0.03 0.00 -0.64 0.00 0.00 41.12 40.84 1i43 n ASP 443 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i43 n SER 444 N -0.02 2.13 0.00 -2.24 7.64 -0.93 -5.12 113.62 115.07 1i43 n SER 444 Ca 0.00 -1.56 0.06 0.00 1.01 0.00 0.00 58.87 58.37 1i43 n SER 444 Cb 0.15 0.26 0.35 0.00 -1.01 0.00 0.00 64.21 63.96 1i43 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65