#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 s ALA 51 N 0.00 3.88 -0.22 2.98 0.00 -1.26 -5.09 121.76 122.06 1i41 s ALA 51 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 1i41 s ALA 51 Cb 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 23.12 23.15 1i41 s ALA 51 CO 0.00 -0.10 0.15 -1.13 0.00 0.00 0.00 175.76 174.69 1i41 n SER 52 N -1.32 1.87 -0.28 0.00 3.41 -1.26 -4.14 113.62 111.91 1i41 n SER 52 Ca -0.17 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1i41 n SER 52 Cb 0.66 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1i41 n SER 52 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1i41 n PHE 53 N -4.41 0.00 -3.56 7.33 1.16 -1.26 -3.98 117.46 112.75 1i41 n PHE 53 Ca -0.35 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 54.94 1i41 n PHE 53 Cb 0.71 -0.02 -0.12 0.00 -1.61 0.00 0.00 39.48 38.44 1i41 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i41 s LEU 54 N -0.45 1.75 -0.19 5.98 1.43 -1.26 -4.96 118.68 120.98 1i41 s LEU 54 Ca 0.00 -2.47 0.09 0.00 -1.03 0.00 0.00 54.13 50.72 1i41 s LEU 54 Cb 0.00 -0.67 -0.22 0.00 0.03 0.00 0.00 46.19 45.33 1i41 s LEU 54 CO 0.00 -0.27 0.10 0.59 0.23 0.00 0.00 176.35 176.99 1i41 n ASN 55 N 3.69 1.03 -4.80 2.29 3.02 -1.26 -4.70 115.26 114.53 1i41 n ASN 55 Ca 0.13 0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 1i41 n ASN 55 Cb 0.37 0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.64 1i41 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i41 s SER 56 N -6.10 7.13 0.12 6.41 0.15 -1.26 -4.98 113.70 115.18 1i41 s SER 56 Ca -0.19 1.60 -0.24 0.00 0.70 0.00 0.00 55.95 57.82 1i41 s SER 56 Cb 0.07 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1i41 s SER 56 CO 0.75 -0.06 1.66 0.44 1.20 0.00 0.00 173.24 177.22 1i41 h ASP 57 N 3.08 -0.55 -0.53 5.45 3.32 -1.99 -1.96 116.42 123.23 1i41 h ASP 57 Ca -0.48 0.09 0.11 0.00 0.02 0.00 0.00 57.03 56.77 1i41 h ASP 57 Cb 1.19 0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.88 1i41 h ASP 57 CO 0.65 -0.24 -0.14 1.23 -1.72 0.00 0.00 179.24 179.01 1i41 h GLY 58 N -0.28 0.36 0.63 2.75 0.00 -1.99 0.39 103.07 104.94 1i41 h GLY 58 Ca 0.07 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.68 1i41 h GLY 58 CO -0.21 -0.21 0.64 1.76 0.00 0.00 0.00 176.54 178.52 1i41 h SER 59 N -0.01 0.99 0.81 0.19 0.02 -1.87 -1.66 113.55 112.01 1i41 h SER 59 Ca 0.26 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1i41 h SER 59 Cb 0.40 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1i41 h SER 59 CO -0.56 0.59 -0.39 0.58 -1.14 0.00 0.00 176.83 175.92 1i41 h VAL 60 N 1.10 0.00 -1.18 2.27 2.07 0.06 -2.02 116.25 118.55 1i41 h VAL 60 Ca 0.45 -0.21 0.45 0.00 0.82 0.00 0.00 66.70 68.21 1i41 h VAL 60 Cb 0.29 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.90 1i41 h VAL 60 CO -0.21 0.00 0.70 0.00 0.02 0.00 0.00 177.57 178.08 1i41 n ALA 61 N -2.70 1.18 0.08 1.67 0.00 0.11 0.24 120.51 121.10 1i41 n ALA 61 Ca -0.13 0.95 -0.04 0.00 0.00 0.00 0.00 53.44 54.21 1i41 n ALA 61 Cb 0.43 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1i41 n ALA 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1i41 h ILE 62 N 0.00 0.00 -0.42 0.00 2.04 -1.14 -3.37 117.51 114.62 1i41 h ILE 62 Ca 0.86 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 66.19 1i41 h ILE 62 Cb 2.52 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1i41 h ILE 62 CO -0.63 0.00 0.00 1.41 0.00 0.00 0.00 178.15 178.93 1i41 n HIS 63 N -4.22 0.55 -1.89 1.37 8.25 -0.62 -4.89 115.22 113.77 1i41 n HIS 63 Ca -0.03 -0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 56.72 1i41 n HIS 63 Cb 0.11 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 1i41 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i41 s ALA 64 N -1.45 3.41 -0.85 -1.41 0.00 0.65 -2.41 121.76 119.70 1i41 s ALA 64 Ca 0.32 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1i41 s ALA 64 Cb 0.17 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1i41 s ALA 64 CO 0.23 -1.76 0.26 0.41 0.00 0.00 0.00 175.76 174.90 1i41 n GLY 65 N 4.58 0.01 2.08 0.00 0.00 -1.26 -4.21 105.19 106.39 1i41 n GLY 65 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1i41 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i41 n GLU 66 N -2.40 0.00 -0.33 1.61 1.02 -1.01 -4.78 120.64 114.74 1i41 n GLU 66 Ca -0.08 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.22 1i41 n GLU 66 Cb 0.57 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.34 1i41 n GLU 66 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i41 h ARG 67 N 0.00 0.50 0.01 3.49 9.65 -1.85 -2.44 114.38 123.73 1i41 h ARG 67 Ca 0.00 -0.03 -0.25 0.00 -1.10 0.00 0.00 59.98 58.60 1i41 h ARG 67 Cb 0.00 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1i41 h ARG 67 CO 0.00 0.33 -1.33 -0.07 2.80 0.00 0.00 179.97 181.70 1i41 h LEU 68 N 0.52 0.02 0.00 3.80 3.38 -1.93 -3.49 115.31 117.61 1i41 h LEU 68 Ca 0.61 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1i41 h LEU 68 Cb 1.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1i41 h LEU 68 CO -0.49 1.03 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1i41 n GLY 69 N 1.46 1.61 0.00 0.83 0.00 -0.92 -5.08 105.19 103.10 1i41 n GLY 69 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1i41 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i41 n ARG 70 N -0.40 2.30 -0.03 1.61 1.74 -1.26 -3.94 116.66 116.68 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1i41 n ARG 70 Cb 0.00 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i41 n GLY 71 N 1.79 0.95 2.42 -0.13 0.00 -1.26 -4.92 105.19 104.04 1i41 n GLY 71 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1i41 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i41 n ILE 72 N -2.00 0.30 -1.62 -0.61 3.06 -1.26 -5.11 119.36 112.12 1i41 n ILE 72 Ca 0.00 -4.29 -0.63 0.00 -2.50 0.00 0.00 62.75 55.32 1i41 n ILE 72 Cb 0.00 -1.95 -0.09 0.00 0.54 0.00 0.00 39.64 38.14 1i41 n ILE 72 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1i41 n VAL 73 N 1.74 0.00 -3.57 9.51 0.31 -1.26 -4.98 118.33 120.09 1i41 n VAL 73 Ca 0.25 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.43 1i41 n VAL 73 Cb 0.46 -0.25 -0.06 0.00 -0.91 0.00 0.00 33.84 33.07 1i41 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i41 s THR 74 N 1.51 0.00 -0.29 2.52 -4.23 -1.26 -5.00 115.64 108.89 1i41 s THR 74 Ca 0.97 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.51 1i41 s THR 74 Cb -1.38 -1.00 0.42 0.00 1.34 0.00 0.00 72.50 71.89 1i41 s THR 74 CO 0.69 0.00 1.56 -0.90 -0.54 0.00 0.00 174.62 175.43 1i41 n ASP 75 N 1.51 3.50 -4.90 3.99 5.75 -1.26 -4.88 116.55 120.25 1i41 n ASP 75 Ca -0.16 -2.98 -0.30 0.00 -0.01 0.00 0.00 54.79 51.34 1i41 n ASP 75 Cb 0.56 -0.71 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1i41 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i41 s ALA 76 N -2.06 3.74 -0.09 2.12 0.00 -1.26 -5.03 121.76 119.19 1i41 s ALA 76 Ca 0.35 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 1i41 s ALA 76 Cb 0.30 -2.16 -0.12 0.00 0.00 0.00 0.00 23.12 21.13 1i41 s ALA 76 CO 0.07 0.50 0.54 0.82 0.00 0.00 0.00 175.76 177.69 1i41 h ILE 77 N 1.75 0.70 -4.42 0.00 2.04 -2.03 -3.47 117.51 112.09 1i41 h ILE 77 Ca -0.47 -1.31 -0.46 0.00 1.00 0.00 0.00 64.86 63.62 1i41 h ILE 77 Cb 1.18 1.26 0.12 0.00 -0.74 0.00 0.00 36.82 38.63 1i41 h ILE 77 CO 0.70 0.21 0.35 0.42 0.00 0.00 0.00 178.15 179.83 1i41 s THR 78 N -2.53 2.02 0.08 -0.27 -4.23 -1.26 -4.99 115.64 104.46 1i41 s THR 78 Ca -0.09 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.19 1i41 s THR 78 Cb -0.00 -2.87 -0.07 0.00 1.34 0.00 0.00 72.50 70.90 1i41 s THR 78 CO 0.34 -0.01 0.70 -0.89 -0.54 0.00 0.00 174.62 174.23 1i41 s THR 79 N -3.42 4.64 0.01 3.99 2.01 -1.26 -5.03 115.64 116.58 1i41 s THR 79 Ca 0.63 1.52 -0.30 0.00 0.31 0.00 0.00 61.69 63.85 1i41 s THR 79 Cb -0.13 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1i41 s THR 79 CO 0.51 0.46 0.97 -2.16 -0.69 0.00 0.00 174.62 173.71 1i41 s PRO 80 N -0.64 4.57 -0.32 4.92 0.05 -1.26 -5.00 135.00 137.31 1i41 s PRO 80 Ca 0.35 1.40 -0.29 0.00 0.05 0.00 0.00 61.00 62.51 1i41 s PRO 80 Cb -0.21 -3.45 0.01 0.00 0.05 0.00 0.00 34.50 30.90 1i41 s PRO 80 CO 0.22 -0.02 1.26 0.08 0.05 0.00 0.00 177.00 178.59 1i41 s VAL 81 N 0.91 4.19 -0.46 -0.36 1.01 -1.26 -4.51 120.40 119.92 1i41 s VAL 81 Ca 0.51 1.34 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 1i41 s VAL 81 Cb -0.21 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1i41 s VAL 81 CO 0.28 -0.52 0.41 -0.69 0.00 0.00 0.00 175.10 174.58 1i41 s VAL 82 N 4.32 5.17 -1.14 2.92 1.01 -1.26 -5.00 120.40 126.41 1i41 s VAL 82 Ca 0.54 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1i41 s VAL 82 Cb -0.15 -4.10 0.26 0.00 0.00 0.00 0.00 36.38 32.39 1i41 s VAL 82 CO 0.23 -0.54 1.46 0.59 0.00 0.00 0.00 175.10 176.84 1i41 n ASN 83 N 5.38 5.82 -4.27 3.32 3.02 -1.26 -4.76 115.26 122.51 1i41 n ASN 83 Ca -0.11 -3.22 -0.20 0.00 -0.03 0.00 0.00 54.58 51.03 1i41 n ASN 83 Cb 0.45 -1.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.14 1i41 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i41 s THR 84 N -1.35 1.50 -1.01 3.41 -1.32 -1.26 -5.02 115.64 110.59 1i41 s THR 84 Ca 0.34 -1.72 0.18 0.00 -1.21 0.00 0.00 61.69 59.28 1i41 s THR 84 Cb 0.01 -1.59 -0.16 0.00 -1.51 0.00 0.00 72.50 69.25 1i41 s THR 84 CO 0.03 -0.33 0.80 -1.54 -2.21 0.00 0.00 174.62 171.38 1i41 n SER 85 N 0.59 1.02 -3.46 8.08 3.41 -1.26 -4.76 113.62 117.24 1i41 n SER 85 Ca -0.16 -1.01 -0.10 0.00 -0.26 0.00 0.00 58.87 57.34 1i41 n SER 85 Cb 0.56 0.91 -0.02 0.00 -0.26 0.00 0.00 64.21 65.40 1i41 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i41 s ALA 86 N -2.62 -1.71 -0.05 7.33 0.00 -1.26 -2.74 121.76 120.70 1i41 s ALA 86 Ca 0.08 0.76 0.05 0.00 0.00 0.00 0.00 51.96 52.85 1i41 s ALA 86 Cb 0.14 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1i41 s ALA 86 CO 0.70 -0.72 -0.20 0.71 0.00 0.00 0.00 175.76 176.25 1i41 s TYR 87 N -3.40 2.56 0.44 0.00 1.51 -0.22 -4.93 117.35 113.30 1i41 s TYR 87 Ca 0.03 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 1i41 s TYR 87 Cb -0.01 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.30 1i41 s TYR 87 CO -0.11 -0.01 0.61 1.97 -1.11 0.00 0.00 175.55 176.90 1i41 n PHE 88 N 2.62 -2.50 -4.06 2.71 1.16 -1.26 -4.72 117.46 111.42 1i41 n PHE 88 Ca -0.17 -1.58 -0.09 0.00 -1.87 0.00 0.00 57.45 53.75 1i41 n PHE 88 Cb 0.52 -0.42 -0.10 0.00 -1.61 0.00 0.00 39.48 37.86 1i41 n PHE 88 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1i41 s PHE 89 N -1.72 0.48 -0.36 2.97 0.40 -1.26 -5.04 117.98 113.44 1i41 s PHE 89 Ca 0.46 -0.80 0.22 0.00 -0.60 0.00 0.00 56.93 56.21 1i41 s PHE 89 Cb -0.04 -0.33 0.22 0.00 0.51 0.00 0.00 43.02 43.38 1i41 s PHE 89 CO 0.29 -0.26 1.42 -0.91 0.70 0.00 0.00 175.22 176.47 1i41 h ASN 90 N 3.80 0.00 -3.93 1.36 2.35 -2.01 -3.48 115.58 113.68 1i41 h ASN 90 Ca -0.34 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.55 1i41 h ASN 90 Cb 1.17 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.31 1i41 h ASN 90 CO 0.54 0.03 0.66 -1.59 -1.65 0.00 0.00 177.43 175.42 1i41 s LYS 91 N -3.24 0.46 0.29 0.81 -2.85 -1.26 -5.03 119.74 108.92 1i41 s LYS 91 Ca 0.05 0.07 0.03 0.00 -1.00 0.00 0.00 55.97 55.11 1i41 s LYS 91 Cb 0.06 0.22 0.72 0.00 -2.06 0.00 0.00 37.83 36.77 1i41 s LYS 91 CO 0.71 -0.15 1.68 1.15 0.10 0.00 0.00 175.35 178.83 1i41 h THR 92 N 2.37 0.42 -0.50 3.79 2.02 -2.00 -1.26 112.91 117.74 1i41 h THR 92 Ca -0.15 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 66.98 1i41 h THR 92 Cb 1.17 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 1i41 h THR 92 CO 0.28 0.06 -0.51 -1.28 0.37 0.00 0.00 175.52 174.45 1i41 h SER 93 N 0.32 -1.72 0.02 4.18 0.87 -2.00 -0.68 113.55 114.55 1i41 h SER 93 Ca 0.55 0.25 0.02 0.00 -1.23 0.00 0.00 61.79 61.38 1i41 h SER 93 Cb 1.08 0.73 -0.03 0.00 -0.44 0.00 0.00 62.40 63.75 1i41 h SER 93 CO -0.57 -0.37 -0.14 -0.33 -0.53 0.00 0.00 176.83 174.89 1i41 h GLU 94 N -0.31 -0.23 -0.83 2.24 5.08 -1.65 -1.97 114.58 116.91 1i41 h GLU 94 Ca 0.12 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.70 1i41 h GLU 94 Cb 0.57 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.73 1i41 h GLU 94 CO -0.65 -0.16 0.02 1.25 -1.00 0.00 0.00 179.01 178.47 1i41 h LEU 95 N -0.24 -0.37 -0.02 1.33 5.85 -1.03 0.72 115.31 121.54 1i41 h LEU 95 Ca 0.04 0.22 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1i41 h LEU 95 Cb 0.29 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1i41 h LEU 95 CO -0.12 -0.22 -0.10 0.40 -0.34 0.00 0.00 178.44 178.06 1i41 h ILE 96 N 0.09 0.73 -0.51 4.05 2.04 -0.58 0.15 117.51 123.48 1i41 h ILE 96 Ca 0.47 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.42 1i41 h ILE 96 Cb 0.86 0.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 1i41 h ILE 96 CO -0.74 0.00 -0.36 0.44 0.00 0.00 0.00 178.15 177.50 1i41 h ASP 97 N -0.17 -1.21 0.08 1.72 3.32 0.10 0.44 116.42 120.71 1i41 h ASP 97 Ca 0.05 0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.33 1i41 h ASP 97 Cb 0.23 0.57 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1i41 h ASP 97 CO -0.12 -0.32 -0.25 0.15 -1.72 0.00 0.00 179.24 176.98 1i41 h PHE 98 N -0.22 -0.67 -0.20 4.55 3.57 -0.16 0.10 116.94 123.91 1i41 h PHE 98 Ca 0.20 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1i41 h PHE 98 Cb 0.55 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1i41 h PHE 98 CO -0.61 -0.35 0.22 0.87 -2.23 0.00 0.00 178.31 176.21 1i41 h LYS 99 N -0.43 0.00 -0.64 1.11 1.79 0.75 0.11 116.57 119.26 1i41 h LYS 99 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1i41 h LYS 99 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1i41 h LYS 99 CO -0.17 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.59 1i41 n GLU 100 N -3.83 3.79 -3.56 3.15 1.02 0.14 -4.94 120.64 116.41 1i41 n GLU 100 Ca 0.02 -2.69 -0.21 0.00 -0.02 0.00 0.00 57.16 54.26 1i41 n GLU 100 Cb 0.35 -1.94 0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1i41 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i41 n LYS 101 N 0.91 -6.91 -0.00 3.49 4.01 0.38 -4.89 118.16 115.15 1i41 n LYS 101 Ca 0.24 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.85 1i41 n LYS 101 Cb 0.90 -5.78 -0.00 0.00 -0.51 0.00 0.00 35.03 29.64 1i41 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i41 n ARG 102 N -4.52 5.87 -4.31 1.97 1.74 0.23 -5.01 116.66 112.63 1i41 n ARG 102 Ca -0.15 -0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.77 1i41 n ARG 102 Cb 0.62 -0.59 -0.10 0.00 -1.02 0.00 0.00 32.46 31.37 1i41 n ARG 102 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i41 s ARG 103 N -1.18 1.40 -0.06 5.56 3.52 -1.22 -4.86 118.95 122.12 1i41 s ARG 103 Ca 0.00 -1.76 0.06 0.00 -0.13 0.00 0.00 55.73 53.90 1i41 s ARG 103 Cb 0.00 -0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.20 1i41 s ARG 103 CO 0.02 -0.32 -0.24 0.00 -0.81 0.00 0.00 175.30 173.95 1i41 s ALA 104 N -3.79 2.05 -0.28 6.12 0.00 -1.26 -4.58 121.76 120.02 1i41 s ALA 104 Ca 0.38 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 1i41 s ALA 104 Cb 0.07 -0.64 0.15 0.00 0.00 0.00 0.00 23.12 22.70 1i41 s ALA 104 CO 0.14 0.39 1.17 0.45 0.00 0.00 0.00 175.76 177.91 1i41 s SER 105 N -0.12 -0.30 0.43 0.00 0.15 -1.26 -5.01 113.70 107.58 1i41 s SER 105 Ca -0.04 0.56 0.28 0.00 0.70 0.00 0.00 55.95 57.45 1i41 s SER 105 Cb -0.13 0.56 0.95 0.00 -1.71 0.00 0.00 66.02 65.68 1i41 s SER 105 CO 0.03 -0.12 1.81 -0.26 1.20 0.00 0.00 173.24 175.90 1i41 h PHE 106 N 3.66 0.00 0.00 3.44 0.04 -1.93 -3.46 116.94 118.68 1i41 h PHE 106 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1i41 h PHE 106 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1i41 h PHE 106 CO 0.28 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 176.08 1i41 n GLU 107 N -2.84 0.00 -4.36 1.51 2.13 -1.26 -4.50 120.64 111.32 1i41 n GLU 107 Ca 0.02 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.54 1i41 n GLU 107 Cb 0.37 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.97 1i41 n GLU 107 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i41 s TYR 108 N 0.00 2.71 0.44 4.31 5.04 -1.26 -1.06 117.35 127.52 1i41 s TYR 108 Ca 0.00 -0.17 0.11 0.00 -2.44 0.00 0.00 57.07 54.57 1i41 s TYR 108 Cb 0.00 -1.46 0.98 0.00 0.35 0.00 0.00 41.96 41.83 1i41 s TYR 108 CO 0.00 0.38 2.05 0.78 -1.34 0.00 0.00 175.55 177.42 1i41 h GLY 109 N 3.95 0.48 2.00 8.97 0.00 -1.71 -0.99 103.07 115.77 1i41 h GLY 109 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1i41 h GLY 109 CO 0.51 0.14 0.00 -2.13 0.00 0.00 0.00 176.54 175.06 1i41 n ARG 110 N -4.48 0.18 -0.00 4.80 0.63 -1.26 -1.99 116.66 114.54 1i41 n ARG 110 Ca 0.04 0.52 0.10 0.00 -0.92 0.00 0.00 57.85 57.60 1i41 n ARG 110 Cb 0.17 -1.93 -0.11 0.00 0.45 0.00 0.00 32.46 31.04 1i41 n ARG 110 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1i41 n TYR 111 N -2.28 0.03 0.00 -0.14 4.01 -0.38 -4.78 117.16 113.61 1i41 n TYR 111 Ca 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1i41 n TYR 111 Cb 0.15 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1i41 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 112 N 1.42 1.72 3.55 2.72 0.00 -0.84 -4.98 105.19 108.78 1i41 n GLY 112 Ca 0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1i41 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i41 s ASN 113 N 0.00 -0.78 0.38 1.61 3.84 -1.26 -4.37 114.94 114.36 1i41 s ASN 113 Ca 0.00 1.34 0.09 0.00 0.21 0.00 0.00 52.86 54.50 1i41 s ASN 113 Cb 0.00 1.27 0.84 0.00 -0.55 0.00 0.00 41.25 42.81 1i41 s ASN 113 CO 0.00 -0.23 1.95 1.55 -2.79 0.00 0.00 177.10 177.58 1i41 h PRO 114 N 6.33 0.63 0.00 0.43 0.13 -1.96 0.26 132.00 137.81 1i41 h PRO 114 Ca -0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1i41 h PRO 114 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1i41 h PRO 114 CO 0.16 0.41 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1i41 h THR 115 N 0.65 0.00 0.00 1.56 1.03 -1.89 -3.31 112.91 110.95 1i41 h THR 115 Ca 0.32 -0.56 -0.07 0.00 -0.01 0.00 0.00 66.41 66.09 1i41 h THR 115 Cb 0.41 1.50 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1i41 h THR 115 CO -0.11 0.00 -0.75 0.41 -0.01 0.00 0.00 175.52 175.06 1i41 n THR 116 N -2.66 1.45 -0.43 0.00 -1.04 -0.06 -4.28 114.28 107.27 1i41 n THR 116 Ca 0.03 0.14 0.37 0.00 -2.04 0.00 0.00 64.05 62.56 1i41 n THR 116 Cb 0.38 -2.29 0.63 0.00 -1.82 0.00 0.00 70.33 67.23 1i41 n THR 116 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1i41 n VAL 117 N -4.56 -0.25 0.15 12.58 0.24 -0.41 -0.25 118.33 125.83 1i41 n VAL 117 Ca -0.15 1.72 -0.12 0.00 -2.04 0.00 0.00 64.34 63.75 1i41 n VAL 117 Cb 0.39 -2.82 -0.07 0.00 -1.47 0.00 0.00 33.84 29.87 1i41 n VAL 117 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1i41 h VAL 118 N 0.00 0.00 -0.93 3.34 2.07 -1.74 0.13 116.25 119.12 1i41 h VAL 118 Ca 0.83 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.53 1i41 h VAL 118 Cb 2.62 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 1i41 h VAL 118 CO -0.47 0.00 0.60 0.25 0.02 0.00 0.00 177.57 177.97 1i41 h LEU 119 N -0.63 0.59 0.42 2.57 5.85 -0.83 0.20 115.31 123.48 1i41 h LEU 119 Ca -0.03 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1i41 h LEU 119 Cb 0.58 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1i41 h LEU 119 CO -0.12 0.25 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.54 1i41 h GLU 120 N 0.60 -0.74 -0.75 1.25 5.08 -0.40 -0.68 114.58 118.93 1i41 h GLU 120 Ca 0.49 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.95 1i41 h GLU 120 Cb 0.96 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1i41 h GLU 120 CO -0.24 -0.49 0.50 0.93 -1.00 0.00 0.00 179.01 178.70 1i41 h GLU 121 N -0.77 0.86 0.37 2.33 5.08 -0.02 -0.44 114.58 121.99 1i41 h GLU 121 Ca -0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1i41 h GLU 121 Cb 0.65 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1i41 h GLU 121 CO -0.01 0.57 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.95 1i41 h LYS 122 N 0.88 -0.75 -0.65 2.33 3.64 -0.25 0.87 116.57 122.64 1i41 h LYS 122 Ca 0.31 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.83 1i41 h LYS 122 Cb 0.11 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 1i41 h LYS 122 CO -0.09 -0.50 0.30 0.82 -2.27 0.00 0.00 179.45 177.71 1i41 h ILE 123 N -0.77 0.83 -0.51 2.00 2.04 -0.84 -1.05 117.51 119.21 1i41 h ILE 123 Ca -0.05 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1i41 h ILE 123 Cb 0.68 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 1i41 h ILE 123 CO -0.06 0.10 -0.32 0.28 0.00 0.00 0.00 178.15 178.14 1i41 h SER 124 N 0.52 -1.11 -0.15 1.72 0.02 -0.53 -0.11 113.55 113.92 1i41 h SER 124 Ca 0.32 0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.52 1i41 h SER 124 Cb 0.34 0.54 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 1i41 h SER 124 CO -0.27 -0.31 -0.13 0.00 -1.14 0.00 0.00 176.83 174.99 1i41 h ALA 125 N 0.91 -0.01 0.18 3.77 0.00 0.40 0.46 119.26 124.96 1i41 h ALA 125 Ca 0.21 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1i41 h ALA 125 Cb 0.54 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1i41 h ALA 125 CO -0.62 -0.57 -0.45 -0.07 0.00 0.00 0.00 179.25 177.54 1i41 h LEU 126 N -0.14 -1.34 0.00 0.00 3.38 -0.20 0.51 115.31 117.52 1i41 h LEU 126 Ca 0.10 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i41 h LEU 126 Cb 0.28 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1i41 h LEU 126 CO -0.24 -0.51 0.00 -0.62 0.09 0.00 0.00 178.44 177.17 1i41 n GLU 127 N -5.07 0.17 -3.23 1.13 -0.58 -0.22 -4.84 120.64 108.00 1i41 n GLU 127 Ca -0.08 0.16 -0.19 0.00 -0.42 0.00 0.00 57.16 56.63 1i41 n GLU 127 Cb 0.37 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 1i41 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i41 n GLY 128 N 0.03 -0.27 3.98 0.62 0.00 0.12 -4.76 105.19 104.92 1i41 n GLY 128 Ca 0.07 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1i41 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 129 N -3.20 3.79 -0.02 4.61 0.00 0.93 -4.99 121.76 122.89 1i41 s ALA 129 Ca 0.41 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 1i41 s ALA 129 Cb -0.18 -2.06 -0.33 0.00 0.00 0.00 0.00 23.12 20.56 1i41 s ALA 129 CO 0.50 -1.12 0.79 1.49 0.00 0.00 0.00 175.76 177.43 1i41 h GLU 130 N -0.25 0.45 -2.74 0.00 4.81 -1.82 -3.43 114.58 111.60 1i41 h GLU 130 Ca -0.39 -0.77 -0.04 0.00 -0.13 0.00 0.00 59.36 58.03 1i41 h GLU 130 Cb 1.28 0.28 -0.15 0.00 0.63 0.00 0.00 28.75 30.80 1i41 h GLU 130 CO 0.47 1.37 0.13 0.45 -0.73 0.00 0.00 179.01 180.69 1i41 s SER 131 N -7.40 -0.52 0.07 1.04 0.15 -0.87 -4.85 113.70 101.31 1i41 s SER 131 Ca -0.13 0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.75 1i41 s SER 131 Cb 0.05 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1i41 s SER 131 CO 0.89 -0.80 -0.12 -0.89 1.20 0.00 0.00 173.24 173.51 1i41 s THR 132 N -2.78 0.94 0.14 6.45 2.01 -1.26 -1.64 115.64 119.51 1i41 s THR 132 Ca -0.04 -1.28 0.11 0.00 0.31 0.00 0.00 61.69 60.79 1i41 s THR 132 Cb -0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1i41 s THR 132 CO -0.04 -0.30 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.11 1i41 s LEU 133 N -1.78 2.37 -0.14 4.42 2.96 0.27 -4.87 118.68 121.90 1i41 s LEU 133 Ca -0.03 -0.76 -0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1i41 s LEU 133 Cb -0.09 -1.23 0.03 0.00 0.50 0.00 0.00 46.19 45.39 1i41 s LEU 133 CO 0.02 0.17 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.38 1i41 s LEU 134 N -2.17 1.46 0.00 -0.68 1.43 -1.26 -1.10 118.68 116.36 1i41 s LEU 134 Ca 0.15 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1i41 s LEU 134 Cb -0.10 -0.93 0.08 0.00 0.03 0.00 0.00 46.19 45.27 1i41 s LEU 134 CO 0.07 -0.14 0.59 0.23 0.23 0.00 0.00 176.35 177.34 1i41 n MET 135 N 4.88 0.46 0.21 1.70 2.81 -0.73 -4.34 117.12 122.10 1i41 n MET 135 Ca -0.13 -1.95 0.12 0.00 -1.81 0.00 0.00 57.70 53.93 1i41 n MET 135 Cb 0.49 -0.29 0.18 0.00 -0.71 0.00 0.00 33.22 32.89 1i41 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i41 h ALA 136 N -0.13 0.98 -2.14 3.04 0.00 -1.51 -2.80 119.26 116.69 1i41 h ALA 136 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1i41 h ALA 136 Cb 0.82 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 1i41 h ALA 136 CO 0.25 0.00 0.43 -1.54 0.00 0.00 0.00 179.25 178.39 1i41 s SER 137 N -6.05 -0.44 0.13 0.00 1.04 -1.26 -3.19 113.70 103.93 1i41 s SER 137 Ca 0.07 0.21 -0.29 0.00 0.48 0.00 0.00 55.95 56.42 1i41 s SER 137 Cb 0.06 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 1i41 s SER 137 CO 0.67 -0.59 1.58 1.23 0.98 0.00 0.00 173.24 177.11 1i41 h GLY 138 N 2.29 -0.72 -0.59 7.32 0.00 -1.84 -0.83 103.07 108.70 1i41 h GLY 138 Ca -0.23 0.54 0.25 0.00 0.00 0.00 0.00 47.33 47.89 1i41 h GLY 138 CO 0.33 -0.21 0.20 -0.33 0.00 0.00 0.00 176.54 176.52 1i41 h MET 139 N -0.47 0.14 -0.10 4.80 2.86 -1.94 0.29 114.93 120.51 1i41 h MET 139 Ca 0.08 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1i41 h MET 139 Cb 0.63 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 1i41 h MET 139 CO -0.43 0.09 -0.21 0.00 1.06 0.00 0.00 176.91 177.42 1i41 h ALA 141 N 0.70 -0.67 -0.48 0.00 0.00 -0.06 0.49 119.26 119.24 1i41 h ALA 141 Ca 0.09 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1i41 h ALA 141 Cb 0.41 0.71 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 1i41 h ALA 141 CO -0.26 -0.74 -0.27 0.66 0.00 0.00 0.00 179.25 178.64 1i41 h SER 142 N -0.27 -0.90 -0.07 0.00 4.64 -1.35 0.39 113.55 115.98 1i41 h SER 142 Ca 0.01 0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1i41 h SER 142 Cb 0.30 0.46 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 1i41 h SER 142 CO -0.16 -0.28 -0.21 0.74 -0.87 0.00 0.00 176.83 176.06 1i41 h THR 143 N -0.16 0.00 -0.34 2.95 2.02 -0.49 0.11 112.91 116.99 1i41 h THR 143 Ca 0.21 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.47 1i41 h THR 143 Cb 0.50 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.84 1i41 h THR 143 CO -0.57 0.00 -0.13 0.58 0.37 0.00 0.00 175.52 175.77 1i41 h VAL 144 N -0.21 0.56 -0.51 3.16 2.07 0.46 -1.60 116.25 120.19 1i41 h VAL 144 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1i41 h VAL 144 Cb 0.26 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 1i41 h VAL 144 CO -0.18 0.00 -0.23 -0.03 0.02 0.00 0.00 177.57 177.15 1i41 h MET 145 N -0.06 -0.10 0.87 1.57 4.05 0.31 0.35 114.93 121.92 1i41 h MET 145 Ca 0.17 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 1i41 h MET 145 Cb 0.32 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1i41 h MET 145 CO -0.39 -0.07 -0.42 -0.07 0.23 0.00 0.00 176.91 176.19 1i41 h LEU 146 N -0.11 -0.99 -1.95 3.39 3.38 -0.24 -0.78 115.31 118.00 1i41 h LEU 146 Ca 0.24 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.46 1i41 h LEU 146 Cb 0.48 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1i41 h LEU 146 CO -0.58 -0.68 0.61 -0.07 0.09 0.00 0.00 178.44 177.81 1i41 h LEU 147 N -1.23 0.00 0.16 1.67 3.38 -0.84 -0.62 115.31 117.83 1i41 h LEU 147 Ca -0.12 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.52 1i41 h LEU 147 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1i41 h LEU 147 CO 0.20 0.00 -1.65 0.00 0.09 0.00 0.00 178.44 177.08 1i41 h ALA 148 N 1.49 0.20 0.05 1.53 0.00 0.08 -3.42 119.26 119.20 1i41 h ALA 148 Ca 0.36 -1.12 -0.36 0.00 0.00 0.00 0.00 54.91 53.79 1i41 h ALA 148 Cb 1.59 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1i41 h ALA 148 CO -0.00 1.07 -2.04 1.28 0.00 0.00 0.00 179.25 179.56 1i41 n LEU 149 N -3.53 2.45 -4.63 0.00 4.77 -0.33 -4.87 117.00 110.85 1i41 n LEU 149 Ca -0.21 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1i41 n LEU 149 Cb 1.06 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1i41 n LEU 149 CO 0.51 0.71 1.30 -0.69 -1.33 0.00 0.00 177.39 177.89 1i41 s VAL 150 N -2.50 3.81 1.02 4.08 1.01 -0.31 -5.00 120.40 122.52 1i41 s VAL 150 Ca -0.29 0.93 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 1i41 s VAL 150 Cb 0.08 -3.80 0.20 0.00 0.00 0.00 0.00 36.38 32.87 1i41 s VAL 150 CO 0.65 -0.30 1.10 -2.84 0.00 0.00 0.00 175.10 173.70 1i41 s PRO 151 N 4.45 0.23 0.26 2.72 0.02 -1.26 -4.81 135.00 136.61 1i41 s PRO 151 Ca 0.67 0.42 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 1i41 s PRO 151 Cb -0.24 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1i41 s PRO 151 CO 0.27 -2.84 1.35 0.00 -0.33 0.00 0.00 177.00 175.45 1i41 s ALA 152 N -2.99 3.55 0.00 -1.55 0.00 -1.26 -2.17 121.76 117.33 1i41 s ALA 152 Ca 0.66 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1i41 s ALA 152 Cb -0.18 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1i41 s ALA 152 CO 0.57 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1i41 n GLY 153 N 1.82 1.85 3.59 0.00 0.00 0.35 -4.94 105.19 107.86 1i41 n GLY 153 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1i41 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 154 N -2.00 1.56 0.20 -0.02 0.00 -0.92 -4.58 107.32 101.56 1i41 s GLY 154 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 44.72 44.60 1i41 s GLY 154 CO 0.00 0.45 -0.07 -1.58 0.00 0.00 0.00 173.10 171.90 1i41 s HIS 155 N -2.71 2.65 0.04 1.90 5.65 -1.26 -2.06 115.29 119.50 1i41 s HIS 155 Ca 0.67 -0.22 -0.03 0.00 0.25 0.00 0.00 55.06 55.73 1i41 s HIS 155 Cb -0.22 -1.26 -0.02 0.00 -1.18 0.00 0.00 32.58 29.90 1i41 s HIS 155 CO 0.61 0.55 0.03 -1.50 -0.65 0.00 0.00 174.74 173.78 1i41 s ILE 156 N -1.89 0.16 -0.10 0.89 2.07 -0.43 -1.08 121.20 120.82 1i41 s ILE 156 Ca 0.27 -1.28 0.01 0.00 -1.41 0.00 0.00 60.65 58.24 1i41 s ILE 156 Cb -0.08 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.56 1i41 s ILE 156 CO 0.17 -0.71 -0.11 -0.69 -1.91 0.00 0.00 174.94 171.69 1i41 s VAL 157 N -2.81 1.20 0.28 4.00 1.01 -0.85 -0.98 120.40 122.24 1i41 s VAL 157 Ca -0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1i41 s VAL 157 Cb -0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1i41 s VAL 157 CO -0.06 0.38 0.10 0.42 0.00 0.00 0.00 175.10 175.95 1i41 s THR 158 N 1.20 0.63 0.65 3.92 -4.23 -0.56 -0.26 115.64 116.99 1i41 s THR 158 Ca -0.04 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1i41 s THR 158 Cb -0.14 -2.64 0.07 0.00 1.34 0.00 0.00 72.50 71.13 1i41 s THR 158 CO -0.03 0.00 0.92 0.42 -0.54 0.00 0.00 174.62 175.39 1i41 s THR 159 N -3.66 2.40 -0.04 3.99 -4.23 -1.25 -1.71 115.64 111.15 1i41 s THR 159 Ca 0.37 -0.49 0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1i41 s THR 159 Cb 0.08 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.92 1i41 s THR 159 CO 0.14 0.00 1.29 0.71 -0.54 0.00 0.00 174.62 176.22 1i41 h THR 160 N -0.34 1.18 -0.68 3.99 1.35 -1.51 -3.35 112.91 113.55 1i41 h THR 160 Ca -0.42 -2.72 -0.39 0.00 -0.55 0.00 0.00 66.41 62.33 1i41 h THR 160 Cb 1.30 2.57 -0.16 0.00 -1.73 0.00 0.00 68.15 70.12 1i41 h THR 160 CO 0.52 0.67 0.42 0.47 -0.25 0.00 0.00 175.52 177.36 1i41 n ASP 161 N -3.24 6.52 -4.75 5.36 9.92 -1.26 -4.96 116.55 124.15 1i41 n ASP 161 Ca -0.01 -3.14 -0.30 0.00 -0.53 0.00 0.00 54.79 50.81 1i41 n ASP 161 Cb 0.84 -1.11 0.12 0.00 -0.64 0.00 0.00 41.12 40.33 1i41 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i41 s TYR 163 N -3.00 3.73 0.00 0.00 5.04 -1.26 -4.84 117.35 117.01 1i41 s TYR 163 Ca 0.62 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 57.00 1i41 s TYR 163 Cb -0.17 -3.09 0.00 0.00 0.35 0.00 0.00 41.96 39.05 1i41 s TYR 163 CO 0.56 0.09 0.05 -2.13 -1.34 0.00 0.00 175.55 172.78 1i41 n ARG 164 N 3.37 0.00 -0.20 4.97 3.00 -1.26 -0.97 116.66 125.57 1i41 n ARG 164 Ca 0.04 0.05 -0.02 0.00 -0.00 0.00 0.00 57.85 57.92 1i41 n ARG 164 Cb 0.50 -0.10 0.05 0.00 0.00 0.00 0.00 32.46 32.91 1i41 n ARG 164 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1i41 h LYS 165 N 0.00 -0.04 -1.01 -0.14 6.56 -1.97 0.12 116.57 120.08 1i41 h LYS 165 Ca 0.00 0.00 0.25 0.00 -1.06 0.00 0.00 60.65 59.84 1i41 h LYS 165 Cb 0.00 0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 31.55 1i41 h LYS 165 CO 0.00 -0.03 0.61 1.15 -2.06 0.00 0.00 179.45 179.12 1i41 h THR 166 N -0.04 0.54 0.46 -0.16 2.02 -1.45 -1.82 112.91 112.46 1i41 h THR 166 Ca 0.28 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1i41 h THR 166 Cb 0.48 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1i41 h THR 166 CO -0.64 0.10 -0.22 -0.09 0.37 0.00 0.00 175.52 175.04 1i41 h ARG 167 N 0.55 -0.59 -1.00 6.66 9.65 0.20 -3.07 114.38 126.79 1i41 h ARG 167 Ca 0.64 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.67 1i41 h ARG 167 Cb 1.27 0.13 -0.14 0.00 -1.39 0.00 0.00 29.97 29.85 1i41 h ARG 167 CO -0.44 -0.39 -0.50 -0.89 2.80 0.00 0.00 179.97 180.55 1i41 n ILE 168 N -3.66 -0.61 -0.26 1.20 5.41 -0.73 -0.52 119.36 120.19 1i41 n ILE 168 Ca -0.08 2.38 -0.05 0.00 1.00 0.00 0.00 62.75 66.00 1i41 n ILE 168 Cb 0.24 -3.03 0.00 0.00 -0.71 0.00 0.00 39.64 36.15 1i41 n ILE 168 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1i41 h PHE 169 N 0.00 -1.09 -0.19 1.39 3.57 -1.49 0.96 116.94 120.09 1i41 h PHE 169 Ca 0.24 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1i41 h PHE 169 Cb 0.49 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1i41 h PHE 169 CO -0.96 -0.40 0.06 0.82 -2.23 0.00 0.00 178.31 175.60 1i41 h ILE 170 N -0.13 1.09 0.00 1.41 2.04 -0.70 0.17 117.51 121.40 1i41 h ILE 170 Ca 0.25 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1i41 h ILE 170 Cb 0.56 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1i41 h ILE 170 CO -0.78 0.11 -0.84 -0.62 0.00 0.00 0.00 178.15 176.02 1i41 n GLU 171 N -4.44 0.30 0.00 2.37 1.02 0.16 -4.28 120.64 115.77 1i41 n GLU 171 Ca -0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1i41 n GLU 171 Cb 0.13 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1i41 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i41 n THR 172 N -2.06 0.00 -0.03 2.62 -2.24 0.28 -4.77 114.28 108.09 1i41 n THR 172 Ca 0.02 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1i41 n THR 172 Cb 0.44 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1i41 n THR 172 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i41 h ILE 173 N 0.00 0.00 -0.96 2.28 1.08 -0.80 -3.38 117.51 115.73 1i41 h ILE 173 Ca 0.00 -0.49 0.28 0.00 -0.39 0.00 0.00 64.86 64.25 1i41 h ILE 173 Cb 0.89 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.47 1i41 h ILE 173 CO 0.00 0.00 0.06 0.18 -0.69 0.00 0.00 178.15 177.70 1i41 n LEU 174 N -3.37 -0.08 0.28 1.44 4.77 -1.00 0.13 117.00 119.18 1i41 n LEU 174 Ca -0.00 1.63 0.18 0.00 -0.03 0.00 0.00 56.01 57.79 1i41 n LEU 174 Cb 0.01 -0.61 0.91 0.00 -2.33 0.00 0.00 43.42 41.40 1i41 n LEU 174 CO 0.00 -1.66 1.15 1.55 -1.33 0.00 0.00 177.39 177.10 1i41 h PRO 175 N 0.00 0.00 0.00 3.23 0.13 -1.73 0.39 132.00 134.01 1i41 h PRO 175 Ca 0.60 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.69 1i41 h PRO 175 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1i41 h PRO 175 CO -0.89 0.00 -0.21 0.87 -0.23 0.00 0.00 178.00 177.54 1i41 h LYS 176 N 0.00 0.00 -0.64 0.86 1.57 0.97 -0.31 116.57 119.02 1i41 h LYS 176 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1i41 h LYS 176 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1i41 h LYS 176 CO -0.00 0.21 0.00 -1.33 -0.57 0.00 0.00 179.45 177.76 1i41 n MET 177 N -3.88 3.66 -1.20 3.15 2.81 0.13 -4.90 117.12 116.89 1i41 n MET 177 Ca -0.02 -2.61 -0.07 0.00 -1.81 0.00 0.00 57.70 53.19 1i41 n MET 177 Cb 0.30 -1.91 -0.03 0.00 -0.71 0.00 0.00 33.22 30.87 1i41 n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i41 n GLY 178 N 0.96 0.85 3.54 3.03 0.00 -0.13 -0.49 105.19 112.94 1i41 n GLY 178 Ca 0.23 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1i41 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 179 N -2.00 4.35 0.34 -0.61 1.01 -1.00 -3.44 121.20 119.84 1i41 s ILE 179 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 1i41 s ILE 179 Cb 0.00 -4.55 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 1i41 s ILE 179 CO 0.00 -1.10 0.64 0.28 0.00 0.00 0.00 174.94 174.76 1i41 s THR 180 N 4.06 4.94 0.09 2.92 -1.32 -0.88 -3.69 115.64 121.77 1i41 s THR 180 Ca 0.34 0.24 0.01 0.00 -1.21 0.00 0.00 61.69 61.07 1i41 s THR 180 Cb -0.11 -3.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.09 1i41 s THR 180 CO 0.21 -0.42 -0.06 0.00 -2.21 0.00 0.00 174.62 172.14 1i41 s ALA 181 N -2.22 0.92 -0.11 11.08 0.00 -1.26 -1.32 121.76 128.85 1i41 s ALA 181 Ca 0.46 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1i41 s ALA 181 Cb -0.10 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1i41 s ALA 181 CO 0.31 -0.24 -0.22 0.99 0.00 0.00 0.00 175.76 176.61 1i41 s THR 182 N -3.59 1.93 -0.40 0.00 2.01 -0.15 -4.94 115.64 110.50 1i41 s THR 182 Ca 0.11 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1i41 s THR 182 Cb 0.05 -1.69 0.07 0.00 0.01 0.00 0.00 72.50 70.94 1i41 s THR 182 CO -0.05 0.53 0.22 -0.69 -0.69 0.00 0.00 174.62 173.94 1i41 s VAL 183 N 0.59 4.07 0.34 3.82 1.01 -1.26 -1.50 120.40 127.47 1i41 s VAL 183 Ca -0.13 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 60.55 1i41 s VAL 183 Cb -0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1i41 s VAL 183 CO 0.04 -0.44 0.26 0.27 0.00 0.00 0.00 175.10 175.23 1i41 s ILE 184 N 1.40 3.35 0.35 2.22 -4.36 -0.69 -4.83 121.20 118.64 1i41 s ILE 184 Ca 0.02 -1.45 -0.25 0.00 -0.26 0.00 0.00 60.65 58.72 1i41 s ILE 184 Cb -0.22 -3.12 -0.10 0.00 1.25 0.00 0.00 42.46 40.26 1i41 s ILE 184 CO 0.02 -0.16 0.95 -0.62 0.24 0.00 0.00 174.94 175.36 1i41 s ASP 185 N -3.97 7.23 0.25 4.36 2.15 -1.26 -1.28 116.67 124.15 1i41 s ASP 185 Ca 0.41 1.80 -0.05 0.00 0.43 0.00 0.00 52.55 55.13 1i41 s ASP 185 Cb -0.05 -2.57 0.48 0.00 -0.30 0.00 0.00 42.92 40.48 1i41 s ASP 185 CO 0.26 -0.15 1.66 -0.65 -0.17 0.00 0.00 175.17 176.12 1i41 h PRO 186 N 2.82 0.19 -0.00 4.34 0.11 -1.94 -2.64 132.00 134.87 1i41 h PRO 186 Ca -0.47 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1i41 h PRO 186 Cb 1.19 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1i41 h PRO 186 CO 0.64 0.13 -0.66 0.00 -0.21 0.00 0.00 178.00 177.90 1i41 h ALA 187 N 1.66 0.08 -0.06 -0.75 0.00 -1.93 -3.43 119.26 114.84 1i41 h ALA 187 Ca 0.43 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1i41 h ALA 187 Cb 0.76 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1i41 h ALA 187 CO -0.58 0.40 0.45 -3.47 0.00 0.00 0.00 179.25 176.05 1i41 n ASP 188 N -4.17 -0.01 0.10 0.00 -0.08 -1.00 -4.66 116.55 106.73 1i41 n ASP 188 Ca -0.10 -1.97 -0.03 0.00 -1.51 0.00 0.00 54.79 51.18 1i41 n ASP 188 Cb 0.70 -1.26 0.18 0.00 2.34 0.00 0.00 41.12 43.08 1i41 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i41 h VAL 189 N 6.87 1.36 -0.04 5.18 2.07 -1.83 -3.12 116.25 126.75 1i41 h VAL 189 Ca 0.00 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.79 1i41 h VAL 189 Cb 1.00 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 1i41 h VAL 189 CO 1.02 0.52 -0.28 1.23 0.02 0.00 0.00 177.57 180.08 1i41 h GLY 190 N 1.40 -0.42 0.08 2.17 0.00 -1.97 0.30 103.07 104.62 1i41 h GLY 190 Ca 0.00 0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.82 1i41 h GLY 190 CO 0.08 -0.22 0.19 0.00 0.00 0.00 0.00 176.54 176.59 1i41 h ALA 191 N 0.40 0.89 0.59 3.60 0.00 -1.94 0.32 119.26 123.12 1i41 h ALA 191 Ca 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1i41 h ALA 191 Cb 0.51 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1i41 h ALA 191 CO -0.27 -0.29 -0.30 1.25 0.00 0.00 0.00 179.25 179.64 1i41 h LEU 192 N 0.31 -0.72 -1.45 0.00 5.85 -1.20 0.18 115.31 118.29 1i41 h LEU 192 Ca 0.38 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.30 1i41 h LEU 192 Cb 0.60 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1i41 h LEU 192 CO -0.44 -0.50 0.56 -0.08 -0.34 0.00 0.00 178.44 177.64 1i41 h GLU 193 N -0.81 0.49 0.40 1.25 4.81 0.74 0.10 114.58 121.55 1i41 h GLU 193 Ca -0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1i41 h GLU 193 Cb 0.63 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1i41 h GLU 193 CO 0.12 0.32 -0.19 1.25 -0.73 0.00 0.00 179.01 179.78 1i41 h LEU 194 N 0.50 -0.45 -0.98 1.64 5.85 0.16 -3.12 115.31 118.91 1i41 h LEU 194 Ca 0.44 -0.09 0.21 0.00 0.84 0.00 0.00 57.88 59.28 1i41 h LEU 194 Cb 0.94 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.97 1i41 h LEU 194 CO -0.17 -0.02 0.56 0.00 -0.34 0.00 0.00 178.44 178.47 1i41 h ALA 195 N -0.84 1.65 -0.94 1.25 0.00 -0.16 0.48 119.26 120.71 1i41 h ALA 195 Ca -0.05 0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.16 1i41 h ALA 195 Cb 0.51 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1i41 h ALA 195 CO 0.09 -0.18 0.60 -0.07 0.00 0.00 0.00 179.25 179.69 1i41 h LEU 196 N 0.63 0.56 0.04 0.00 -0.00 -0.78 -2.15 115.31 113.60 1i41 h LEU 196 Ca 0.59 0.06 -0.33 0.00 -0.00 0.00 0.00 57.88 58.20 1i41 h LEU 196 Cb 1.03 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.60 1i41 h LEU 196 CO -0.44 0.23 -1.95 0.59 -0.00 0.00 0.00 178.44 176.86 1i41 n ASN 197 N -4.59 1.24 0.04 -0.43 3.02 0.14 -4.56 115.26 110.12 1i41 n ASN 197 Ca 0.20 0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.99 1i41 n ASN 197 Cb 0.63 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 1i41 n ASN 197 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1i41 h GLN 198 N 0.02 -0.10 0.00 3.52 4.20 -0.14 -3.46 115.11 119.15 1i41 h GLN 198 Ca -0.39 0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.02 1i41 h GLN 198 Cb 2.04 0.02 0.02 0.00 0.30 0.00 0.00 27.48 29.86 1i41 h GLN 198 CO 0.06 -0.06 -0.04 1.63 -0.67 0.00 0.00 178.83 179.74 1i41 n LYS 199 N -2.28 0.74 -3.50 1.46 4.01 -0.86 -5.06 118.16 112.67 1i41 n LYS 199 Ca -0.01 -2.02 -0.42 0.00 -0.51 0.00 0.00 58.31 55.35 1i41 n LYS 199 Cb 0.04 -0.16 -0.05 0.00 -0.51 0.00 0.00 35.03 34.35 1i41 n LYS 199 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i41 s LYS 200 N -3.70 3.16 0.00 1.97 2.36 -1.26 -4.66 119.74 117.60 1i41 s LYS 200 Ca 0.39 -2.52 -0.30 0.00 -2.55 0.00 0.00 55.97 50.99 1i41 s LYS 200 Cb -0.03 -4.12 -0.06 0.00 -1.05 0.00 0.00 37.83 32.57 1i41 s LYS 200 CO 0.25 -1.24 1.48 0.08 1.55 0.00 0.00 175.35 177.47 1i41 s VAL 201 N 0.02 3.57 0.03 4.02 1.01 -1.26 -4.04 120.40 123.74 1i41 s VAL 201 Ca 0.18 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1i41 s VAL 201 Cb -0.14 -3.60 -0.23 0.00 0.00 0.00 0.00 36.38 32.40 1i41 s VAL 201 CO -0.07 -0.02 0.96 0.78 0.00 0.00 0.00 175.10 176.76 1i41 h ASN 202 N 8.16 0.10 -3.16 3.32 4.21 -1.46 -3.35 115.58 123.39 1i41 h ASN 202 Ca -0.39 -0.14 0.06 0.00 1.21 0.00 0.00 56.30 57.05 1i41 h ASN 202 Cb 1.18 -0.03 -0.26 0.00 -1.12 0.00 0.00 38.32 38.09 1i41 h ASN 202 CO 0.92 1.11 0.44 -0.22 -1.29 0.00 0.00 177.43 178.39 1i41 s LEU 203 N -6.56 -0.47 -0.21 1.61 0.20 -1.25 -2.58 118.68 109.43 1i41 s LEU 203 Ca -0.04 0.88 -0.09 0.00 0.69 0.00 0.00 54.13 55.58 1i41 s LEU 203 Cb 0.09 1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 47.69 1i41 s LEU 203 CO 0.83 -0.15 0.12 0.12 -0.29 0.00 0.00 176.35 176.97 1i41 s PHE 204 N 0.33 3.33 -0.03 5.38 5.36 0.66 -2.01 117.98 131.00 1i41 s PHE 204 Ca 0.02 0.21 0.02 0.00 -0.96 0.00 0.00 56.93 56.22 1i41 s PHE 204 Cb -0.05 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 1i41 s PHE 204 CO -0.07 0.18 -0.08 0.12 -1.46 0.00 0.00 175.22 173.91 1i41 s PHE 205 N 0.55 0.92 0.06 10.12 5.36 0.64 -0.43 117.98 135.19 1i41 s PHE 205 Ca 0.06 -0.23 -0.28 0.00 -0.96 0.00 0.00 56.93 55.53 1i41 s PHE 205 Cb -0.12 -0.66 0.09 0.00 -0.34 0.00 0.00 43.02 41.99 1i41 s PHE 205 CO 0.00 -0.10 1.05 -0.08 -1.46 0.00 0.00 175.22 174.62 1i41 s THR 206 N 0.24 0.00 -0.03 0.12 -1.32 -0.55 -3.75 115.64 110.35 1i41 s THR 206 Ca -0.04 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1i41 s THR 206 Cb -0.09 -1.74 -0.03 0.00 -1.51 0.00 0.00 72.50 69.13 1i41 s THR 206 CO 0.00 0.00 -0.07 -1.83 -2.21 0.00 0.00 174.62 170.51 1i41 s GLU 207 N -2.98 2.63 -0.20 7.08 -1.05 -1.26 -0.30 118.70 122.63 1i41 s GLU 207 Ca 0.11 -0.65 -0.05 0.00 -0.15 0.00 0.00 54.97 54.24 1i41 s GLU 207 Cb 0.00 -2.53 0.10 0.00 -0.44 0.00 0.00 34.13 31.26 1i41 s GLU 207 CO -0.02 0.63 0.36 0.45 0.95 0.00 0.00 175.26 177.63 1i41 s SER 208 N -1.10 0.17 1.18 0.83 0.15 -1.20 -3.70 113.70 110.03 1i41 s SER 208 Ca 0.15 0.55 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 1i41 s SER 208 Cb -0.11 1.06 0.28 0.00 -1.71 0.00 0.00 66.02 65.53 1i41 s SER 208 CO 0.04 -0.26 0.92 -2.65 1.20 0.00 0.00 173.24 172.49 1i41 n PRO 209 N 5.37 -2.44 -2.96 5.44 -0.02 -1.26 -4.45 135.00 134.69 1i41 n PRO 209 Ca -0.06 -0.68 -0.20 0.00 -2.02 0.00 0.00 63.50 60.54 1i41 n PRO 209 Cb 0.50 -2.12 0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1i41 n PRO 209 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i41 s THR 210 N -2.39 2.32 -0.06 3.45 -1.32 0.18 -4.70 115.64 113.13 1i41 s THR 210 Ca 0.68 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 1i41 s THR 210 Cb -0.24 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1i41 s THR 210 CO 0.65 0.00 -0.16 0.21 -2.21 0.00 0.00 174.62 173.11 1i41 s ASN 211 N -4.61 2.15 0.00 8.08 3.04 -1.23 -1.47 114.94 120.91 1i41 s ASN 211 Ca 0.61 -0.36 0.21 0.00 0.04 0.00 0.00 52.86 53.35 1i41 s ASN 211 Cb -0.07 -0.81 0.28 0.00 -1.54 0.00 0.00 41.25 39.12 1i41 s ASN 211 CO 0.39 0.11 1.26 -0.81 -3.04 0.00 0.00 177.10 175.00 1i41 n PRO 212 N 3.45 2.16 -0.05 0.43 -0.04 -1.26 -4.55 135.00 135.15 1i41 n PRO 212 Ca -0.20 -1.98 0.04 0.00 -0.04 0.00 0.00 63.50 61.32 1i41 n PRO 212 Cb 0.52 -1.43 0.19 0.00 -0.04 0.00 0.00 33.50 32.74 1i41 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i41 n PHE 213 N 1.25 0.12 -4.06 0.54 3.72 -1.26 -4.57 117.46 113.21 1i41 n PHE 213 Ca 0.15 -0.06 -0.33 0.00 -0.05 0.00 0.00 57.45 57.15 1i41 n PHE 213 Cb 0.54 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.04 1i41 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i41 n LEU 214 N -0.26 -1.09 -4.74 4.37 4.77 -0.54 -4.71 117.00 114.80 1i41 n LEU 214 Ca 0.07 -0.86 -0.34 0.00 -0.03 0.00 0.00 56.01 54.85 1i41 n LEU 214 Cb 0.11 -1.75 0.07 0.00 -2.33 0.00 0.00 43.42 39.52 1i41 n LEU 214 CO 0.05 0.15 0.78 -0.13 -1.33 0.00 0.00 177.39 176.92 1i41 s ARG 215 N -6.73 2.47 0.08 3.23 1.81 -1.26 -4.07 118.95 114.48 1i41 s ARG 215 Ca 0.66 1.65 0.09 0.00 -1.72 0.00 0.00 55.73 56.41 1i41 s ARG 215 Cb -0.37 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.21 1i41 s ARG 215 CO 0.81 -1.56 -0.24 0.00 -0.68 0.00 0.00 175.30 173.63 1i41 s VAL 217 N -0.97 3.46 -0.75 0.00 1.01 -1.26 -4.68 120.40 117.21 1i41 s VAL 217 Ca 0.10 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1i41 s VAL 217 Cb -0.10 -2.50 -0.21 0.00 0.00 0.00 0.00 36.38 33.57 1i41 s VAL 217 CO 0.04 0.49 1.88 -0.67 0.00 0.00 0.00 175.10 176.84 1i41 n ASP 218 N 3.74 2.02 -0.31 3.32 -0.08 -1.26 -4.76 116.55 119.22 1i41 n ASP 218 Ca -0.18 -2.60 -0.07 0.00 -1.51 0.00 0.00 54.79 50.43 1i41 n ASP 218 Cb 0.52 -1.25 -0.06 0.00 2.34 0.00 0.00 41.12 42.67 1i41 n ASP 218 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i41 n ILE 219 N 7.39 -0.49 -0.13 5.18 5.41 -1.26 -0.61 119.36 134.86 1i41 n ILE 219 Ca 0.46 1.82 -0.06 0.00 1.00 0.00 0.00 62.75 65.97 1i41 n ILE 219 Cb 0.44 -2.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 1i41 n ILE 219 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1i41 h GLU 220 N 0.00 -0.19 0.06 0.38 4.81 -1.86 0.26 114.58 118.04 1i41 h GLU 220 Ca 0.15 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1i41 h GLU 220 Cb 0.34 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1i41 h GLU 220 CO -0.72 -0.12 -0.05 1.25 -0.73 0.00 0.00 179.01 178.64 1i41 h LEU 221 N -0.19 -0.14 -0.83 1.64 5.85 -1.17 -1.78 115.31 118.69 1i41 h LEU 221 Ca 0.19 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.05 1i41 h LEU 221 Cb 0.50 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.44 1i41 h LEU 221 CO -0.53 -0.07 -0.38 0.58 -0.34 0.00 0.00 178.44 177.70 1i41 h VAL 222 N -0.10 0.06 -0.69 1.05 2.07 -1.14 0.37 116.25 117.87 1i41 h VAL 222 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.65 1i41 h VAL 222 Cb 0.09 0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 29.79 1i41 h VAL 222 CO -0.00 0.00 -0.17 0.28 0.02 0.00 0.00 177.57 177.70 1i41 h SER 223 N -0.07 -0.63 0.05 0.57 0.02 -0.39 -0.09 113.55 113.01 1i41 h SER 223 Ca 0.29 0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.47 1i41 h SER 223 Cb 0.57 0.42 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1i41 h SER 223 CO -0.86 -0.22 -0.27 0.50 -1.14 0.00 0.00 176.83 174.83 1i41 h LYS 224 N 0.00 -0.42 0.62 3.45 3.64 0.61 -0.71 116.57 123.76 1i41 h LYS 224 Ca 0.33 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1i41 h LYS 224 Cb 0.51 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1i41 h LYS 224 CO -0.70 -0.28 -0.49 -0.07 -2.27 0.00 0.00 179.45 175.63 1i41 h LEU 225 N -0.44 -1.31 -0.58 5.20 3.38 -0.44 -2.62 115.31 118.51 1i41 h LEU 225 Ca 0.05 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1i41 h LEU 225 Cb 0.50 0.41 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 1i41 h LEU 225 CO -0.20 -0.69 0.02 0.00 0.09 0.00 0.00 178.44 177.66 1i41 h HIS 227 N 0.14 0.00 0.00 0.00 3.86 -1.03 0.13 115.15 118.25 1i41 h HIS 227 Ca 0.30 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.41 1i41 h HIS 227 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1i41 h HIS 227 CO -0.33 0.01 -0.48 1.49 0.86 0.00 0.00 177.93 179.48 1i41 h GLU 228 N 0.00 0.00 -0.53 2.45 4.81 -0.44 -3.12 114.58 117.74 1i41 h GLU 228 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1i41 h GLU 228 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1i41 h GLU 228 CO 0.00 0.48 0.00 1.63 -0.73 0.00 0.00 179.01 180.39 1i41 n LYS 229 N -3.57 2.80 -0.84 1.92 4.76 -0.06 -4.96 118.16 118.21 1i41 n LYS 229 Ca -0.00 -2.35 0.00 0.00 -2.87 0.00 0.00 58.31 53.09 1i41 n LYS 229 Cb 0.58 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1i41 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i41 n GLY 230 N 1.06 0.91 3.81 0.72 0.00 -0.87 -4.88 105.19 105.95 1i41 n GLY 230 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1i41 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 231 N -3.61 2.76 -0.00 4.61 0.00 -0.64 -4.93 121.76 119.95 1i41 s ALA 231 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1i41 s ALA 231 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1i41 s ALA 231 CO 0.00 -0.85 0.11 -0.51 0.00 0.00 0.00 175.76 174.51 1i41 s LEU 232 N -4.70 4.04 -0.15 0.00 1.43 -1.06 -4.05 118.68 114.19 1i41 s LEU 232 Ca 0.62 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1i41 s LEU 232 Cb -0.15 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1i41 s LEU 232 CO 0.41 0.27 -0.12 -0.69 0.23 0.00 0.00 176.35 176.45 1i41 s VAL 233 N -1.24 3.10 -0.11 -1.59 1.01 -1.26 0.24 120.40 120.55 1i41 s VAL 233 Ca 0.24 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1i41 s VAL 233 Cb -0.12 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1i41 s VAL 233 CO 0.16 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.64 1i41 s ILE 235 N 1.22 3.43 -1.09 0.00 -1.09 -0.07 -1.48 121.20 122.11 1i41 s ILE 235 Ca -0.03 -0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 57.74 1i41 s ILE 235 Cb -0.14 -2.42 0.27 0.00 -1.58 0.00 0.00 42.46 38.59 1i41 s ILE 235 CO -0.04 0.56 1.10 -0.62 -1.23 0.00 0.00 174.94 174.70 1i41 s ASP 236 N -0.26 7.27 0.00 3.58 -1.08 0.59 -1.31 116.67 125.46 1i41 s ASP 236 Ca 0.03 -3.51 0.00 0.00 -0.52 0.00 0.00 52.55 48.55 1i41 s ASP 236 Cb -0.13 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1i41 s ASP 236 CO 0.03 -0.32 0.38 0.61 0.52 0.00 0.00 175.17 176.38 1i41 n GLY 237 N 2.85 0.91 0.40 2.66 0.00 -1.01 -3.22 105.19 107.78 1i41 n GLY 237 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1i41 n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i41 h THR 238 N 0.00 0.00 -0.32 2.61 2.02 -1.87 0.16 112.91 115.52 1i41 h THR 238 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1i41 h THR 238 Cb 0.32 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1i41 h THR 238 CO 0.00 0.00 0.15 -0.26 0.37 0.00 0.00 175.52 175.78 1i41 h PHE 239 N -0.02 0.43 0.29 3.16 0.04 -1.84 -3.24 116.94 115.75 1i41 h PHE 239 Ca 0.15 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 1i41 h PHE 239 Cb 0.40 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1i41 h PHE 239 CO -1.01 0.32 -0.14 0.00 -0.60 0.00 0.00 178.31 176.88 1i41 h ALA 240 N 1.73 -0.64 0.00 2.45 0.00 -1.00 -3.41 119.26 118.39 1i41 h ALA 240 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i41 h ALA 240 Cb 0.05 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1i41 h ALA 240 CO -0.02 -0.62 0.00 2.41 0.00 0.00 0.00 179.25 181.03 1i41 n THR 241 N -3.71 -0.18 0.00 0.00 -1.04 -0.10 -4.10 114.28 105.15 1i41 n THR 241 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1i41 n THR 241 Cb 0.15 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1i41 n THR 241 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i41 n PRO 242 N 1.71 0.00 -0.02 -2.82 -0.04 -1.26 -1.14 135.00 131.43 1i41 n PRO 242 Ca 0.00 0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.55 1i41 n PRO 242 Cb 0.00 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.74 1i41 n PRO 242 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i41 n LEU 243 N -1.18 1.62 -0.30 1.53 4.77 -1.26 -4.22 117.00 117.95 1i41 n LEU 243 Ca 0.00 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1i41 n LEU 243 Cb 0.08 -0.37 0.46 0.00 -2.33 0.00 0.00 43.42 41.26 1i41 n LEU 243 CO 0.00 0.61 0.75 0.59 -1.33 0.00 0.00 177.39 178.01 1i41 n ASN 244 N -3.21 1.11 -3.64 -1.43 3.02 -0.29 -4.82 115.26 105.99 1i41 n ASN 244 Ca -0.25 -1.06 -0.02 0.00 -0.03 0.00 0.00 54.58 53.22 1i41 n ASN 244 Cb 1.05 0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 40.26 1i41 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 s GLN 245 N -2.33 0.07 -0.63 3.52 -2.07 -1.15 -1.86 119.66 115.21 1i41 s GLN 245 Ca 0.30 0.01 0.05 0.00 -1.82 0.00 0.00 55.36 53.89 1i41 s GLN 245 Cb 0.20 0.03 0.16 0.00 -1.09 0.00 0.00 33.01 32.31 1i41 s GLN 245 CO 0.45 -0.02 0.43 0.15 -1.32 0.00 0.00 175.29 174.98 1i41 s LYS 246 N -1.16 2.13 0.27 9.60 -0.14 -1.26 -4.32 119.74 124.86 1i41 s LYS 246 Ca 0.09 -3.02 -0.02 0.00 -1.36 0.00 0.00 55.97 51.66 1i41 s LYS 246 Cb -0.01 -3.07 0.58 0.00 -1.68 0.00 0.00 37.83 33.65 1i41 s LYS 246 CO -0.07 -1.27 1.67 0.00 -0.76 0.00 0.00 175.35 174.92 1i41 h ALA 247 N 5.62 1.12 -0.97 5.17 0.00 -1.94 0.64 119.26 128.90 1i41 h ALA 247 Ca 0.13 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1i41 h ALA 247 Cb 0.80 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1i41 h ALA 247 CO 0.65 -0.37 0.63 -0.07 0.00 0.00 0.00 179.25 180.09 1i41 h LEU 248 N 0.27 0.99 -0.46 0.00 3.38 -1.87 -1.22 115.31 116.40 1i41 h LEU 248 Ca 0.48 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.33 1i41 h LEU 248 Cb 0.88 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1i41 h LEU 248 CO -0.56 0.62 -0.24 0.00 0.09 0.00 0.00 178.44 178.35 1i41 h ALA 249 N 1.48 0.64 0.00 1.53 0.00 -1.20 -2.43 119.26 119.29 1i41 h ALA 249 Ca 0.42 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1i41 h ALA 249 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1i41 h ALA 249 CO -0.17 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.01 1i41 n LEU 250 N -4.12 0.00 0.00 0.00 4.77 -0.70 -4.82 117.00 112.13 1i41 n LEU 250 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1i41 n LEU 250 Cb 0.47 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1i41 n LEU 250 CO 0.47 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1i41 n GLY 251 N -0.26 2.27 3.50 -0.72 0.00 -0.91 -3.68 105.19 105.38 1i41 n GLY 251 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1i41 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 252 N -0.28 -0.91 -0.00 4.61 0.00 -0.55 -4.92 120.51 118.45 1i41 n ALA 252 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 1i41 n ALA 252 Cb 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 19.45 17.44 1i41 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i41 h ASP 253 N 0.63 0.30 -3.77 0.00 3.32 -1.61 -3.40 116.42 111.88 1i41 h ASP 253 Ca -0.44 -0.92 -0.28 0.00 0.02 0.00 0.00 57.03 55.41 1i41 h ASP 253 Cb 1.39 -0.10 -0.29 0.00 0.22 0.00 0.00 39.33 40.55 1i41 h ASP 253 CO 0.50 1.19 -0.74 -0.76 -1.72 0.00 0.00 179.24 177.71 1i41 s LEU 254 N -8.13 1.90 -0.11 1.55 1.43 -0.40 -4.19 118.68 110.72 1i41 s LEU 254 Ca -0.15 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1i41 s LEU 254 Cb -0.00 -0.13 0.01 0.00 0.03 0.00 0.00 46.19 46.10 1i41 s LEU 254 CO 0.77 0.01 -0.19 0.54 0.23 0.00 0.00 176.35 177.72 1i41 s VAL 255 N 0.08 1.78 0.19 -1.59 0.11 -0.73 -0.90 120.40 119.33 1i41 s VAL 255 Ca -0.00 -0.83 0.11 0.00 -2.93 0.00 0.00 61.98 58.33 1i41 s VAL 255 Cb -0.02 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.20 1i41 s VAL 255 CO -0.00 0.50 -0.22 -1.48 -3.33 0.00 0.00 175.10 170.56 1i41 s LEU 256 N 0.72 2.44 0.15 2.54 0.05 -0.43 -1.06 118.68 123.09 1i41 s LEU 256 Ca -0.11 -0.87 0.01 0.00 0.05 0.00 0.00 54.13 53.20 1i41 s LEU 256 Cb -0.16 -1.07 -0.04 0.00 -2.05 0.00 0.00 46.19 42.87 1i41 s LEU 256 CO 0.02 0.07 0.01 -1.00 -0.55 0.00 0.00 176.35 174.90 1i41 s HIS 257 N -1.82 1.04 -0.84 3.48 3.76 0.76 -2.41 115.29 119.26 1i41 s HIS 257 Ca 0.20 -1.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.01 1i41 s HIS 257 Cb -0.07 -0.60 0.21 0.00 1.11 0.00 0.00 32.58 33.23 1i41 s HIS 257 CO 0.09 -0.32 0.71 0.45 -0.85 0.00 0.00 174.74 174.82 1i41 s SER 258 N -3.11 5.76 0.10 1.40 0.15 -1.26 -1.79 113.70 114.94 1i41 s SER 258 Ca 0.22 -3.64 0.03 0.00 0.70 0.00 0.00 55.95 53.26 1i41 s SER 258 Cb 0.07 -1.87 0.15 0.00 -1.71 0.00 0.00 66.02 62.66 1i41 s SER 258 CO 0.02 -0.19 0.84 0.00 1.20 0.00 0.00 173.24 175.11 1i41 n ALA 259 N 2.41 0.43 0.14 5.45 0.00 0.08 -0.40 120.51 128.62 1i41 n ALA 259 Ca 0.20 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.77 1i41 n ALA 259 Cb 0.37 -0.46 0.61 0.00 0.00 0.00 0.00 19.45 19.97 1i41 n ALA 259 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i41 h THR 260 N 0.00 0.94 0.00 0.00 2.02 -1.73 -1.43 112.91 112.71 1i41 h THR 260 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1i41 h THR 260 Cb 0.67 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1i41 h THR 260 CO 0.00 0.02 0.00 0.29 0.37 0.00 0.00 175.52 176.20 1i41 n LYS 261 N -4.49 0.00 0.00 6.66 4.76 0.47 -4.53 118.16 121.03 1i41 n LYS 261 Ca 0.02 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.33 1i41 n LYS 261 Cb 0.23 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.33 1i41 n LYS 261 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1i41 h PHE 262 N 0.00 -0.07 -0.68 2.13 0.04 -1.75 0.12 116.94 116.73 1i41 h PHE 262 Ca 0.00 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.91 1i41 h PHE 262 Cb 0.00 0.02 -0.13 0.00 2.20 0.00 0.00 35.95 38.05 1i41 h PHE 262 CO 0.00 0.48 -0.15 -0.07 -0.60 0.00 0.00 178.31 177.97 1i41 h LEU 263 N -0.71 -0.60 0.25 1.54 3.38 -1.85 -0.13 115.31 117.19 1i41 h LEU 263 Ca -0.01 0.20 -0.33 0.00 0.09 0.00 0.00 57.88 57.83 1i41 h LEU 263 Cb 0.59 0.41 0.04 0.00 0.09 0.00 0.00 40.66 41.78 1i41 h LEU 263 CO 0.01 -0.22 -1.48 1.23 0.09 0.00 0.00 178.44 178.08 1i41 h GLY 264 N 0.01 0.60 -2.29 0.83 0.00 -1.38 -3.24 103.07 97.59 1i41 h GLY 264 Ca 0.33 -1.52 -0.17 0.00 0.00 0.00 0.00 47.33 45.97 1i41 h GLY 264 CO -0.69 1.33 -0.17 0.61 0.00 0.00 0.00 176.54 177.62 1i41 n GLY 265 N 1.73 0.45 0.00 4.60 0.00 0.42 -4.63 105.19 107.77 1i41 n GLY 265 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1i41 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i41 n HIS 266 N -1.97 0.00 -3.64 1.61 8.25 -1.26 -1.43 115.22 116.78 1i41 n HIS 266 Ca -0.09 -0.16 -0.21 0.00 -0.26 0.00 0.00 57.72 57.00 1i41 n HIS 266 Cb 0.36 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.50 1i41 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i41 n ASN 267 N -0.16 -2.21 -1.12 0.41 3.02 -1.26 -4.83 115.26 109.11 1i41 n ASN 267 Ca 0.00 -0.74 -0.02 0.00 -0.03 0.00 0.00 54.58 53.79 1i41 n ASN 267 Cb 0.23 -4.41 -0.02 0.00 -0.61 0.00 0.00 39.78 34.97 1i41 n ASN 267 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1i41 n ASP 268 N -3.05 -0.06 -3.65 6.41 5.75 -1.26 -5.11 116.55 115.58 1i41 n ASP 268 Ca -0.23 -1.92 -0.04 0.00 -0.01 0.00 0.00 54.79 52.59 1i41 n ASP 268 Cb 0.65 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.67 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i41 s VAL 269 N 0.00 0.00 0.14 2.12 0.11 -1.26 -5.10 120.40 116.40 1i41 s VAL 269 Ca 0.13 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 1i41 s VAL 269 Cb 0.15 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1i41 s VAL 269 CO -0.07 0.00 0.14 -0.76 -3.33 0.00 0.00 175.10 171.08 1i41 s LEU 270 N 0.14 3.88 -0.30 2.54 1.43 -1.26 -4.29 118.68 120.82 1i41 s LEU 270 Ca 0.06 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 1i41 s LEU 270 Cb -0.05 -2.51 0.21 0.00 0.03 0.00 0.00 46.19 43.87 1i41 s LEU 270 CO -0.14 0.10 1.29 0.00 0.23 0.00 0.00 176.35 177.83 1i41 s ALA 271 N -1.65 -2.63 0.37 4.21 0.00 -1.19 -4.69 121.76 116.18 1i41 s ALA 271 Ca 0.31 1.94 0.03 0.00 0.00 0.00 0.00 51.96 54.24 1i41 s ALA 271 Cb -0.11 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1i41 s ALA 271 CO 0.24 -0.29 0.55 0.20 0.00 0.00 0.00 175.76 176.46 1i41 s GLY 272 N 0.92 1.47 -0.28 0.00 0.00 -1.06 -0.74 107.32 107.64 1i41 s GLY 272 Ca -0.06 -1.16 -0.17 0.00 0.00 0.00 0.00 44.72 43.33 1i41 s GLY 272 CO -0.10 -1.06 0.73 0.00 0.00 0.00 0.00 173.10 172.67 1i41 s ILE 274 N 1.43 0.70 0.14 0.00 1.01 -0.26 -0.17 121.20 124.05 1i41 s ILE 274 Ca -0.08 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.44 1i41 s ILE 274 Cb -0.05 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1i41 s ILE 274 CO -0.17 0.26 -0.21 -0.44 0.00 0.00 0.00 174.94 174.39 1i41 s SER 275 N 0.87 2.73 0.00 3.58 0.01 -0.23 0.93 113.70 121.60 1i41 s SER 275 Ca -0.12 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1i41 s SER 275 Cb -0.15 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1i41 s SER 275 CO 0.01 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1i41 n GLY 276 N 0.71 -1.01 3.77 3.44 0.00 -0.65 -1.77 105.19 109.67 1i41 n GLY 276 Ca -0.16 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1i41 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i41 s PRO 277 N -1.44 3.88 0.05 1.61 0.04 -1.26 -2.05 135.00 135.83 1i41 s PRO 277 Ca 0.00 1.91 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 1i41 s PRO 277 Cb 0.00 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1i41 s PRO 277 CO 0.00 -0.48 1.28 1.25 0.04 0.00 0.00 177.00 179.08 1i41 h LEU 278 N 2.39 -0.80 -1.65 -3.56 6.46 -1.89 -0.32 115.31 115.94 1i41 h LEU 278 Ca -0.49 0.08 0.49 0.00 -0.12 0.00 0.00 57.88 57.84 1i41 h LEU 278 Cb 1.25 0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 41.38 1i41 h LEU 278 CO 0.61 -0.28 1.17 1.17 -0.62 0.00 0.00 178.44 180.49 1i41 n LYS 279 N -3.96 -0.01 0.00 1.25 4.81 -1.26 -0.91 118.16 118.08 1i41 n LYS 279 Ca -0.04 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1i41 n LYS 279 Cb 0.21 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1i41 n LYS 279 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1i41 n LEU 280 N -3.88 0.62 -0.33 3.14 4.77 -0.65 -4.08 117.00 116.60 1i41 n LEU 280 Ca 0.39 0.19 0.22 0.00 -0.03 0.00 0.00 56.01 56.78 1i41 n LEU 280 Cb 1.71 -0.32 0.42 0.00 -2.33 0.00 0.00 43.42 42.91 1i41 n LEU 280 CO 0.35 -0.32 0.94 1.62 -1.33 0.00 0.00 177.39 178.64 1i41 h VAL 281 N 0.00 0.05 -0.58 4.08 3.04 -0.63 0.42 116.25 122.63 1i41 h VAL 281 Ca 0.00 -0.01 0.08 0.00 -1.01 0.00 0.00 66.70 65.76 1i41 h VAL 281 Cb 0.00 0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 29.22 1i41 h VAL 281 CO 0.00 0.01 0.23 0.77 -1.01 0.00 0.00 177.57 177.57 1i41 h SER 282 N 0.04 0.26 -0.51 3.17 4.64 -1.25 0.23 113.55 120.13 1i41 h SER 282 Ca 0.71 0.07 0.15 0.00 -0.47 0.00 0.00 61.79 62.24 1i41 h SER 282 Cb 1.67 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.77 1i41 h SER 282 CO -0.82 0.16 0.41 -0.33 -0.87 0.00 0.00 176.83 175.38 1i41 h GLU 283 N 0.43 0.00 0.16 4.77 4.39 -0.30 -0.25 114.58 123.77 1i41 h GLU 283 Ca 0.28 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.73 1i41 h GLU 283 Cb 0.31 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1i41 h GLU 283 CO -0.27 0.00 -1.18 0.82 -1.16 0.00 0.00 179.01 177.22 1i41 h ILE 284 N 0.00 1.29 -0.49 3.13 2.04 -0.59 -3.28 117.51 119.60 1i41 h ILE 284 Ca 0.24 -2.53 0.14 0.00 1.00 0.00 0.00 64.86 63.72 1i41 h ILE 284 Cb 1.06 3.00 -0.02 0.00 -0.74 0.00 0.00 36.82 40.12 1i41 h ILE 284 CO -0.00 0.74 0.36 -0.09 0.00 0.00 0.00 178.15 179.15 1i41 h ARG 285 N -0.22 0.00 0.28 2.37 2.43 0.69 0.16 114.38 120.09 1i41 h ARG 285 Ca -0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1i41 h ARG 285 Cb 1.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1i41 h ARG 285 CO 0.15 0.00 -0.13 -0.91 -1.51 0.00 0.00 179.97 177.57 1i41 h ASN 286 N 0.00 -0.32 0.14 -3.80 2.35 -1.38 -1.24 115.58 111.33 1i41 h ASN 286 Ca 0.23 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1i41 h ASN 286 Cb 0.94 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 1i41 h ASN 286 CO -0.00 0.09 -0.12 0.25 -1.65 0.00 0.00 177.43 176.00 1i41 h LEU 287 N -0.80 0.00 -1.21 1.61 5.85 -1.40 -0.28 115.31 119.09 1i41 h LEU 287 Ca -0.04 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1i41 h LEU 287 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1i41 h LEU 287 CO 0.06 0.12 -0.39 -0.74 -0.34 0.00 0.00 178.44 177.15 1i41 h HIS 288 N 0.00 0.00 0.00 1.25 2.76 -0.56 -1.60 115.15 117.00 1i41 h HIS 288 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1i41 h HIS 288 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1i41 h HIS 288 CO 0.00 0.39 0.00 0.72 -1.30 0.00 0.00 177.93 177.74 1i41 n HIS 289 N -4.06 0.00 -0.01 5.26 8.25 -0.12 -2.19 115.22 122.35 1i41 n HIS 289 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1i41 n HIS 289 Cb 0.43 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.48 1i41 n HIS 289 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i41 n ILE 290 N -1.04 0.45 0.12 1.59 5.41 -0.73 -4.56 119.36 120.60 1i41 n ILE 290 Ca 0.13 0.01 0.08 0.00 1.00 0.00 0.00 62.75 63.98 1i41 n ILE 290 Cb 0.08 -1.59 0.45 0.00 -0.71 0.00 0.00 39.64 37.86 1i41 n ILE 290 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i41 n LEU 291 N -3.29 0.43 -3.66 1.39 4.77 -0.68 -4.86 117.00 111.09 1i41 n LEU 291 Ca -0.08 0.70 -0.25 0.00 -0.03 0.00 0.00 56.01 56.35 1i41 n LEU 291 Cb 0.48 -0.75 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1i41 n LEU 291 CO 0.01 -0.84 -0.08 0.61 -1.33 0.00 0.00 177.39 175.76 1i41 n GLY 292 N -1.34 -1.16 2.17 -0.72 0.00 -0.93 -4.89 105.19 98.32 1i41 n GLY 292 Ca -0.01 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1i41 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 293 N -1.74 6.16 3.64 -0.02 0.00 -1.26 -5.04 105.19 106.93 1i41 n GLY 293 Ca -0.17 -2.51 -0.41 0.00 0.00 0.00 0.00 46.02 42.92 1i41 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 294 N -0.80 0.55 -2.57 4.61 0.00 -1.26 -1.59 120.51 119.45 1i41 n ALA 294 Ca 0.52 0.26 -0.38 0.00 0.00 0.00 0.00 53.44 53.84 1i41 n ALA 294 Cb 0.82 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 1i41 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i41 s LEU 295 N -0.86 4.41 0.30 0.00 2.96 -1.26 -4.46 118.68 119.77 1i41 s LEU 295 Ca 0.62 0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 55.14 1i41 s LEU 295 Cb -0.55 -2.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.45 1i41 s LEU 295 CO 0.57 0.23 1.09 0.21 -1.32 0.00 0.00 176.35 177.14 1i41 s ASN 296 N -0.55 7.18 0.16 3.68 3.84 -1.26 -4.91 114.94 123.08 1i41 s ASN 296 Ca 0.24 2.24 -0.23 0.00 0.21 0.00 0.00 52.86 55.32 1i41 s ASN 296 Cb -0.16 -2.62 0.05 0.00 -0.55 0.00 0.00 41.25 37.97 1i41 s ASN 296 CO 0.12 -0.21 1.60 -0.65 -2.79 0.00 0.00 177.10 175.18 1i41 h PRO 297 N 3.60 -0.25 -0.63 0.43 0.11 -1.97 -1.16 132.00 132.13 1i41 h PRO 297 Ca -0.47 0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.78 1i41 h PRO 297 Cb 1.21 0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.26 1i41 h PRO 297 CO 0.66 -0.17 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.22 1i41 h ASN 298 N -0.26 -0.59 -0.33 -2.05 2.35 -1.93 0.14 115.58 112.91 1i41 h ASN 298 Ca 0.16 0.19 0.03 0.00 -0.55 0.00 0.00 56.30 56.14 1i41 h ASN 298 Cb 0.53 0.39 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1i41 h ASN 298 CO -0.50 -0.21 0.13 0.00 -1.65 0.00 0.00 177.43 175.20 1i41 h ALA 299 N 1.63 0.39 -0.53 -0.83 0.00 -1.70 -2.05 119.26 116.17 1i41 h ALA 299 Ca 0.30 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1i41 h ALA 299 Cb 0.46 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1i41 h ALA 299 CO -0.65 -0.26 0.02 0.00 0.00 0.00 0.00 179.25 178.36 1i41 h ALA 300 N 1.20 0.52 0.02 0.00 0.00 0.34 -1.98 119.26 119.36 1i41 h ALA 300 Ca 0.15 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1i41 h ALA 300 Cb 0.10 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1i41 h ALA 300 CO -0.14 -0.37 -0.10 -0.92 0.00 0.00 0.00 179.25 177.72 1i41 h TYR 301 N 0.14 -0.25 -1.02 0.00 3.20 -0.32 -1.62 116.97 117.10 1i41 h TYR 301 Ca 0.27 0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.40 1i41 h TYR 301 Cb 0.41 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.68 1i41 h TYR 301 CO -0.31 -0.15 0.64 -0.07 -1.64 0.00 0.00 178.16 176.63 1i41 h LEU 302 N -0.18 0.56 -0.12 2.82 3.38 -0.72 0.34 115.31 121.39 1i41 h LEU 302 Ca 0.03 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1i41 h LEU 302 Cb 0.22 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1i41 h LEU 302 CO -0.09 0.11 -0.15 0.40 0.09 0.00 0.00 178.44 178.80 1i41 h ILE 303 N 0.49 1.36 -0.52 1.22 5.03 -0.97 0.78 117.51 124.90 1i41 h ILE 303 Ca 0.61 -1.35 0.09 0.00 -0.12 0.00 0.00 64.86 64.09 1i41 h ILE 303 Cb 1.36 1.97 -0.07 0.00 -3.03 0.00 0.00 36.82 37.04 1i41 h ILE 303 CO -0.37 0.39 0.12 0.40 -0.68 0.00 0.00 178.15 178.01 1i41 h ILE 304 N -0.08 0.72 -0.72 -0.67 2.04 0.25 0.32 117.51 119.37 1i41 h ILE 304 Ca 0.02 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1i41 h ILE 304 Cb 0.70 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1i41 h ILE 304 CO 0.04 0.05 0.20 -0.09 0.00 0.00 0.00 178.15 178.34 1i41 h ARG 305 N 0.26 1.14 -0.39 2.37 2.43 -0.38 -2.82 114.38 116.98 1i41 h ARG 305 Ca 0.26 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1i41 h ARG 305 Cb 0.35 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1i41 h ARG 305 CO -0.33 0.98 0.03 0.78 -1.51 0.00 0.00 179.97 179.93 1i41 h GLY 306 N 1.10 0.73 2.00 2.80 0.00 0.59 -2.56 103.07 107.72 1i41 h GLY 306 Ca 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1i41 h GLY 306 CO -0.00 0.47 0.00 1.03 0.00 0.00 0.00 176.54 178.04 1i41 n MET 307 N -4.49 0.00 0.27 4.80 2.81 0.10 -2.03 117.12 118.58 1i41 n MET 307 Ca -0.01 0.35 0.11 0.00 -1.81 0.00 0.00 57.70 56.34 1i41 n MET 307 Cb 0.26 -1.51 0.73 0.00 -0.71 0.00 0.00 33.22 31.99 1i41 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i41 h LYS 308 N 0.00 0.00 -0.42 0.03 1.79 -1.21 -2.20 116.57 114.56 1i41 h LYS 308 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1i41 h LYS 308 Cb 0.16 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.50 1i41 h LYS 308 CO 0.00 0.05 -0.82 0.25 -1.08 0.00 0.00 179.45 177.84 1i41 n THR 309 N -4.13 1.93 0.31 -0.16 -2.24 -0.86 -4.67 114.28 104.47 1i41 n THR 309 Ca -0.03 -3.38 -0.13 0.00 -2.27 0.00 0.00 64.05 58.25 1i41 n THR 309 Cb 0.13 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 1i41 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i41 h LEU 310 N 1.84 -0.74 -0.33 3.22 5.85 -1.44 -2.22 115.31 121.50 1i41 h LEU 310 Ca 0.11 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1i41 h LEU 310 Cb 1.39 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.54 1i41 h LEU 310 CO 0.39 -0.50 -0.39 1.12 -0.34 0.00 0.00 178.44 178.72 1i41 h HIS 311 N -0.82 -1.11 -0.69 1.25 2.07 -1.90 -0.56 115.15 113.39 1i41 h HIS 311 Ca -0.08 0.06 0.14 0.00 -2.85 0.00 0.00 60.37 57.64 1i41 h HIS 311 Cb 0.64 0.53 -0.13 0.00 2.57 0.00 0.00 27.41 31.02 1i41 h HIS 311 CO 0.05 -0.43 -0.20 -0.07 -3.07 0.00 0.00 177.93 174.21 1i41 h LEU 312 N -0.34 -0.74 0.61 6.12 3.38 -1.93 0.11 115.31 122.52 1i41 h LEU 312 Ca 0.13 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1i41 h LEU 312 Cb 0.58 0.46 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1i41 h LEU 312 CO -0.51 -0.25 -0.29 0.03 0.09 0.00 0.00 178.44 177.51 1i41 h ARG 313 N -0.03 -0.79 -0.19 1.13 3.08 -0.63 -2.98 114.38 113.97 1i41 h ARG 313 Ca 0.32 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.48 1i41 h ARG 313 Cb 0.52 0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 1i41 h ARG 313 CO -0.72 -0.49 -0.31 0.28 -1.07 0.00 0.00 179.97 177.66 1i41 h VAL 314 N -0.92 0.30 -0.64 2.04 2.07 -0.49 -1.90 116.25 116.71 1i41 h VAL 314 Ca -0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1i41 h VAL 314 Cb 0.66 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1i41 h VAL 314 CO 0.14 0.00 -0.38 1.56 0.02 0.00 0.00 177.57 178.91 1i41 h GLN 315 N -0.35 -0.01 -0.29 1.57 4.20 -0.81 0.71 115.11 120.13 1i41 h GLN 315 Ca 0.11 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.89 1i41 h GLN 315 Cb 0.53 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 1i41 h GLN 315 CO -0.39 -0.00 -0.11 0.37 -0.67 0.00 0.00 178.83 178.03 1i41 h GLN 316 N -0.01 -0.05 -0.66 1.46 5.75 -1.32 -1.99 115.11 118.29 1i41 h GLN 316 Ca 0.10 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1i41 h GLN 316 Cb 0.27 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1i41 h GLN 316 CO -0.60 -0.03 0.39 1.96 -2.65 0.00 0.00 178.83 177.89 1i41 h GLN 317 N -0.05 0.90 -0.98 1.69 4.20 -0.43 -1.53 115.11 118.92 1i41 h GLN 317 Ca 0.15 -0.09 0.17 0.00 0.06 0.00 0.00 58.65 58.94 1i41 h GLN 317 Cb 0.27 -0.19 -0.10 0.00 0.30 0.00 0.00 27.48 27.77 1i41 h GLN 317 CO -0.33 0.66 0.59 -0.91 -0.67 0.00 0.00 178.83 178.16 1i41 h ASN 318 N 0.90 0.78 0.00 1.46 2.35 0.11 -1.04 115.58 120.13 1i41 h ASN 318 Ca 0.24 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1i41 h ASN 318 Cb -0.01 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1i41 h ASN 318 CO -0.04 0.31 0.00 -1.20 -1.65 0.00 0.00 177.43 174.85 1i41 n SER 319 N -4.75 0.00 -0.22 5.81 7.64 -0.85 -2.92 113.62 118.32 1i41 n SER 319 Ca 0.22 0.51 -0.01 0.00 1.01 0.00 0.00 58.87 60.59 1i41 n SER 319 Cb 0.51 -0.31 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1i41 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i41 n THR 320 N -1.42 -0.31 0.02 0.44 -1.04 -0.63 -0.11 114.28 111.23 1i41 n THR 320 Ca 0.00 1.35 -0.04 0.00 -2.04 0.00 0.00 64.05 63.32 1i41 n THR 320 Cb 0.00 -1.77 -0.02 0.00 -1.82 0.00 0.00 70.33 66.71 1i41 n THR 320 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i41 h ALA 321 N 0.75 -0.63 -0.20 2.41 0.00 -1.32 0.34 119.26 120.61 1i41 h ALA 321 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i41 h ALA 321 Cb 0.34 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1i41 h ALA 321 CO -0.57 -0.67 0.00 -0.11 0.00 0.00 0.00 179.25 177.90 1i41 n LEU 322 N -3.21 0.00 -0.28 0.00 7.94 0.85 0.17 117.00 122.47 1i41 n LEU 322 Ca -0.02 0.97 0.04 0.00 -1.11 0.00 0.00 56.01 55.88 1i41 n LEU 322 Cb 0.10 -0.47 0.12 0.00 0.53 0.00 0.00 43.42 43.70 1i41 n LEU 322 CO 0.03 -0.47 0.72 0.03 -1.11 0.00 0.00 177.39 176.60 1i41 h ARG 323 N 0.00 0.01 -0.37 1.96 3.08 -1.21 0.78 114.38 118.63 1i41 h ARG 323 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1i41 h ARG 323 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1i41 h ARG 323 CO 0.00 0.01 -0.02 0.52 -1.07 0.00 0.00 179.97 179.41 1i41 h MET 324 N 0.02 0.59 0.24 0.04 2.86 0.85 -1.96 114.93 117.58 1i41 h MET 324 Ca 0.40 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1i41 h MET 324 Cb 0.65 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1i41 h MET 324 CO -0.81 0.63 -0.18 0.00 1.06 0.00 0.00 176.91 177.61 1i41 h ALA 325 N 1.42 -0.98 -0.79 6.32 0.00 0.83 -1.00 119.26 125.06 1i41 h ALA 325 Ca 0.12 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1i41 h ALA 325 Cb 0.39 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1i41 h ALA 325 CO 0.02 -0.97 -0.45 0.93 0.00 0.00 0.00 179.25 178.78 1i41 h GLU 326 N -0.41 -0.11 -0.81 0.00 5.08 -0.99 0.30 114.58 117.65 1i41 h GLU 326 Ca -0.03 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1i41 h GLU 326 Cb 0.34 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 1i41 h GLU 326 CO 0.01 -0.07 0.28 0.82 -1.00 0.00 0.00 179.01 179.05 1i41 h ILE 327 N -0.11 0.52 0.19 3.13 2.04 -1.21 -1.79 117.51 120.27 1i41 h ILE 327 Ca 0.23 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1i41 h ILE 327 Cb 0.54 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1i41 h ILE 327 CO -0.83 0.06 -0.09 -0.07 0.00 0.00 0.00 178.15 177.22 1i41 h LEU 328 N 0.35 -0.21 -1.21 1.44 3.38 0.94 -2.49 115.31 117.52 1i41 h LEU 328 Ca 0.47 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.53 1i41 h LEU 328 Cb 0.83 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1i41 h LEU 328 CO -0.50 0.02 0.63 -0.08 0.09 0.00 0.00 178.44 178.59 1i41 h GLU 329 N -0.44 0.55 0.00 1.13 4.81 -0.40 0.54 114.58 120.77 1i41 h GLU 329 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1i41 h GLU 329 Cb 0.34 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1i41 h GLU 329 CO 0.04 0.36 0.00 0.00 -0.73 0.00 0.00 179.01 178.68 1i41 h ALA 330 N 1.64 1.00 -2.84 2.92 0.00 -1.22 -3.45 119.26 117.31 1i41 h ALA 330 Ca 0.57 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.96 1i41 h ALA 330 Cb 1.18 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.02 1i41 h ALA 330 CO -0.33 0.00 0.65 -1.58 0.00 0.00 0.00 179.25 177.98 1i41 s HIS 331 N -3.30 3.10 0.22 0.00 5.65 0.19 -4.94 115.29 116.21 1i41 s HIS 331 Ca 0.06 1.36 -0.03 0.00 0.25 0.00 0.00 55.06 56.71 1i41 s HIS 331 Cb 0.09 -3.67 0.22 0.00 -1.18 0.00 0.00 32.58 28.04 1i41 s HIS 331 CO 0.57 -1.89 1.62 -1.00 -0.65 0.00 0.00 174.74 173.39 1i41 h PRO 332 N 3.84 0.66 0.00 2.88 0.13 -1.88 -2.94 132.00 134.70 1i41 h PRO 332 Ca -0.48 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1i41 h PRO 332 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1i41 h PRO 332 CO 0.68 0.88 0.00 1.63 -0.23 0.00 0.00 178.00 180.97 1i41 n LYS 333 N -4.08 0.05 -3.24 0.86 5.02 -1.26 -4.60 118.16 110.92 1i41 n LYS 333 Ca -0.01 0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1i41 n LYS 333 Cb 0.47 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1i41 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i41 s VAL 334 N -3.04 4.99 0.12 -0.18 1.01 -1.11 -0.60 120.40 121.58 1i41 s VAL 334 Ca 0.11 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1i41 s VAL 334 Cb 0.14 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1i41 s VAL 334 CO 0.44 -0.62 1.57 -0.09 0.00 0.00 0.00 175.10 176.40 1i41 h ARG 335 N 8.86 0.63 -3.32 2.72 2.43 -1.71 -3.45 114.38 120.54 1i41 h ARG 335 Ca -0.27 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1i41 h ARG 335 Cb 1.10 -0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 30.44 1i41 h ARG 335 CO 0.89 0.72 -0.17 -1.58 -1.51 0.00 0.00 179.97 178.32 1i41 s HIS 336 N -5.06 -0.15 -0.02 2.20 2.46 -1.15 -5.00 115.29 108.57 1i41 s HIS 336 Ca -0.13 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.35 1i41 s HIS 336 Cb 0.09 0.16 0.03 0.00 -0.13 0.00 0.00 32.58 32.74 1i41 s HIS 336 CO 0.78 -0.59 0.02 0.08 -2.47 0.00 0.00 174.74 172.56 1i41 s VAL 337 N -3.09 -0.01 -0.22 0.89 1.01 -1.26 -1.72 120.40 115.99 1i41 s VAL 337 Ca -0.01 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1i41 s VAL 337 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1i41 s VAL 337 CO -0.07 0.10 0.02 -0.31 0.00 0.00 0.00 175.10 174.84 1i41 s TYR 338 N 1.10 3.04 -0.30 5.22 1.51 0.26 -4.84 117.35 123.35 1i41 s TYR 338 Ca -0.09 -0.55 -0.15 0.00 -1.01 0.00 0.00 57.07 55.26 1i41 s TYR 338 Cb -0.13 -2.15 0.16 0.00 -0.11 0.00 0.00 41.96 39.73 1i41 s TYR 338 CO -0.03 -0.35 1.00 -0.47 -1.11 0.00 0.00 175.55 174.59 1i41 s TYR 339 N 1.34 -0.60 0.64 2.71 5.04 -1.26 -2.63 117.35 122.58 1i41 s TYR 339 Ca 0.04 1.10 0.35 0.00 -2.44 0.00 0.00 57.07 56.13 1i41 s TYR 339 Cb -0.15 0.36 1.92 0.00 0.35 0.00 0.00 41.96 44.45 1i41 s TYR 339 CO 0.01 -0.30 2.14 -1.35 -1.34 0.00 0.00 175.55 174.71 1i41 h PRO 340 N 6.86 0.00 0.00 4.97 0.11 -1.86 -1.33 132.00 140.75 1i41 h PRO 340 Ca -0.21 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.78 1i41 h PRO 340 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1i41 h PRO 340 CO 0.13 0.00 -0.58 0.78 -0.21 0.00 0.00 178.00 178.12 1i41 h GLY 341 N 0.00 0.00 -1.93 -0.55 0.00 -1.94 -3.41 103.07 95.24 1i41 h GLY 341 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.88 1i41 h GLY 341 CO -0.00 0.00 0.39 1.08 0.00 0.00 0.00 176.54 178.00 1i41 s LEU 342 N -7.16 3.70 0.36 3.11 1.43 -0.50 -4.94 118.68 114.67 1i41 s LEU 342 Ca 0.00 1.89 0.18 0.00 -1.03 0.00 0.00 54.13 55.18 1i41 s LEU 342 Cb 0.11 -4.55 0.57 0.00 0.03 0.00 0.00 46.19 42.35 1i41 s LEU 342 CO 0.74 -0.96 1.68 1.56 0.23 0.00 0.00 176.35 179.60 1i41 h GLN 343 N 1.07 0.00 0.00 1.70 4.20 -1.87 -2.92 115.11 117.29 1i41 h GLN 343 Ca -0.48 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 1i41 h GLN 343 Cb 1.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1i41 h GLN 343 CO 0.58 0.40 -0.05 0.66 -0.67 0.00 0.00 178.83 179.75 1i41 h SER 344 N 0.00 0.00 -2.82 1.46 4.64 -1.92 -3.45 113.55 111.46 1i41 h SER 344 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 0.99 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.11 1i41 h SER 344 CO 0.05 0.05 0.88 -2.28 -0.87 0.00 0.00 176.83 174.67 1i41 s HIS 345 N -3.85 2.91 0.30 4.77 5.04 -1.10 -4.92 115.29 118.44 1i41 s HIS 345 Ca -0.01 0.61 0.03 0.00 -1.54 0.00 0.00 55.06 54.15 1i41 s HIS 345 Cb 0.11 -3.88 0.76 0.00 0.04 0.00 0.00 32.58 29.61 1i41 s HIS 345 CO 0.54 -3.30 1.60 -1.35 -2.34 0.00 0.00 174.74 169.89 1i41 h PRO 346 N 7.27 0.08 -0.53 2.88 0.11 -1.91 -1.08 132.00 138.83 1i41 h PRO 346 Ca -0.42 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.44 1i41 h PRO 346 Cb 1.20 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1i41 h PRO 346 CO 0.91 0.05 0.13 -0.85 -0.21 0.00 0.00 178.00 178.04 1i41 n GLU 347 N -5.37 2.24 -0.33 1.05 0.00 -1.26 -4.70 120.64 112.28 1i41 n GLU 347 Ca 0.23 -3.10 0.12 0.00 0.00 0.00 0.00 57.16 54.41 1i41 n GLU 347 Cb 0.75 -1.94 0.34 0.00 0.00 0.00 0.00 31.44 30.59 1i41 n GLU 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1i41 h HIS 348 N 1.26 0.98 0.00 -1.84 2.76 -1.43 0.16 115.15 117.03 1i41 h HIS 348 Ca 0.29 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.44 1i41 h HIS 348 Cb 1.98 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.63 1i41 h HIS 348 CO 1.12 0.29 -0.26 1.12 -1.30 0.00 0.00 177.93 178.90 1i41 h HIS 349 N 0.76 0.00 0.11 5.26 2.07 -1.84 0.12 115.15 121.65 1i41 h HIS 349 Ca 0.52 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.88 1i41 h HIS 349 Cb 0.80 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.80 1i41 h HIS 349 CO -0.00 0.26 -0.72 0.82 -3.07 0.00 0.00 177.93 175.22 1i41 h ILE 350 N 0.00 1.52 -0.48 6.12 2.04 -1.18 -2.77 117.51 122.76 1i41 h ILE 350 Ca -0.00 -2.49 0.06 0.00 1.00 0.00 0.00 64.86 63.43 1i41 h ILE 350 Cb 0.50 3.19 -0.06 0.00 -0.74 0.00 0.00 36.82 39.71 1i41 h ILE 350 CO 0.03 0.69 0.17 0.00 0.00 0.00 0.00 178.15 179.05 1i41 h ALA 351 N 0.05 0.58 0.00 1.87 0.00 -0.68 0.68 119.26 121.76 1i41 h ALA 351 Ca -0.13 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1i41 h ALA 351 Cb 1.54 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1i41 h ALA 351 CO 0.12 -0.22 -0.06 -0.22 0.00 0.00 0.00 179.25 178.87 1i41 h LYS 352 N 0.34 0.00 0.00 0.00 3.64 -0.83 0.15 116.57 119.87 1i41 h LYS 352 Ca 0.23 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.35 1i41 h LYS 352 Cb 0.24 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1i41 h LYS 352 CO -0.24 0.06 -1.77 1.17 -2.27 0.00 0.00 179.45 176.40 1i41 n LYS 353 N -3.77 0.64 -0.00 1.90 4.81 -0.03 -4.51 118.16 117.20 1i41 n LYS 353 Ca -0.02 0.19 0.04 0.00 -0.87 0.00 0.00 58.31 57.65 1i41 n LYS 353 Cb 0.15 -1.73 -0.06 0.00 0.02 0.00 0.00 35.03 33.41 1i41 n LYS 353 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i41 n GLN 354 N -2.90 3.09 -3.85 1.64 10.64 0.02 -5.03 117.38 120.99 1i41 n GLN 354 Ca -0.17 -0.02 -0.22 0.00 -1.83 0.00 0.00 57.00 54.75 1i41 n GLN 354 Cb 0.99 -1.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.32 1i41 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i41 s MET 355 N -2.05 2.44 0.00 2.61 -1.94 0.50 -4.60 119.30 116.27 1i41 s MET 355 Ca 0.02 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 52.41 1i41 s MET 355 Cb 0.07 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.66 1i41 s MET 355 CO 0.38 -0.08 0.00 0.25 -0.01 0.00 0.00 175.02 175.56 1i41 n THR 356 N -1.37 0.00 -4.11 2.05 -2.24 -0.78 -4.76 114.28 103.09 1i41 n THR 356 Ca 0.00 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.32 1i41 n THR 356 Cb 0.62 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 1i41 n THR 356 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1i41 s GLY 357 N -0.96 1.55 -0.15 3.38 0.00 -1.26 -5.04 107.32 104.84 1i41 s GLY 357 Ca 0.00 -1.56 0.20 0.00 0.00 0.00 0.00 44.72 43.36 1i41 s GLY 357 CO 0.00 -1.04 1.16 0.69 0.00 0.00 0.00 173.10 173.91 1i41 n PHE 358 N -0.56 0.73 -4.47 1.90 3.72 -1.26 -4.96 117.46 112.56 1i41 n PHE 358 Ca 0.01 -1.39 0.01 0.00 -0.05 0.00 0.00 57.45 56.04 1i41 n PHE 358 Cb 0.62 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1i41 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i41 n GLY 359 N -0.27 -1.30 0.00 1.37 0.00 -1.26 -4.56 105.19 99.17 1i41 n GLY 359 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1i41 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 360 N -0.23 1.32 3.70 -0.02 0.00 -1.26 -3.86 105.19 104.83 1i41 n GLY 360 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1i41 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 361 N -0.64 3.53 -0.09 4.61 0.00 -1.26 -1.78 121.76 126.13 1i41 s ALA 361 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1i41 s ALA 361 Cb 0.00 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1i41 s ALA 361 CO 0.00 -0.10 -0.05 0.08 0.00 0.00 0.00 175.76 175.69 1i41 s VAL 362 N 0.87 0.75 -0.07 0.00 1.01 0.74 -4.92 120.40 118.77 1i41 s VAL 362 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1i41 s VAL 362 Cb -0.15 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1i41 s VAL 362 CO 0.08 0.32 0.05 -0.44 0.00 0.00 0.00 175.10 175.10 1i41 s SER 363 N 1.71 5.55 -0.27 3.32 0.01 -1.08 0.45 113.70 123.38 1i41 s SER 363 Ca 0.03 0.20 -0.23 0.00 1.31 0.00 0.00 55.95 57.25 1i41 s SER 363 Cb -0.13 -1.61 0.08 0.00 0.21 0.00 0.00 66.02 64.57 1i41 s SER 363 CO -0.06 0.36 0.78 0.72 0.41 0.00 0.00 173.24 175.44 1i41 s PHE 364 N -0.99 -0.77 0.13 2.43 -0.71 0.31 0.92 117.98 119.29 1i41 s PHE 364 Ca 0.16 1.80 -0.19 0.00 -1.04 0.00 0.00 56.93 57.66 1i41 s PHE 364 Cb -0.12 0.34 -0.07 0.00 -1.21 0.00 0.00 43.02 41.97 1i41 s PHE 364 CO 0.06 -0.37 0.61 -1.21 -1.34 0.00 0.00 175.22 172.96 1i41 s GLU 365 N 0.58 4.19 0.09 1.99 2.02 -0.70 -0.94 118.70 125.93 1i41 s GLU 365 Ca -0.01 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1i41 s GLU 365 Cb -0.05 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1i41 s GLU 365 CO -0.04 0.55 0.24 0.08 0.02 0.00 0.00 175.26 176.11 1i41 s VAL 366 N -1.27 5.36 -1.34 2.63 1.01 -1.19 -2.29 120.40 123.31 1i41 s VAL 366 Ca 0.34 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1i41 s VAL 366 Cb -0.18 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1i41 s VAL 366 CO 0.20 0.08 2.07 -0.67 0.00 0.00 0.00 175.10 176.78 1i41 n ASP 367 N 0.10 3.97 0.00 3.32 2.03 0.23 -4.67 116.55 121.52 1i41 n ASP 367 Ca -0.05 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.42 1i41 n ASP 367 Cb 0.52 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 1i41 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i41 n GLY 368 N 4.52 1.97 2.11 0.27 0.00 -1.26 -5.02 105.19 107.78 1i41 n GLY 368 Ca 0.51 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1i41 n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i41 n ASP 369 N 0.00 1.27 0.00 1.61 5.75 -1.26 -4.79 116.55 119.13 1i41 n ASP 369 Ca 0.00 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 1i41 n ASP 369 Cb 0.00 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1i41 n ASP 369 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1i41 n LEU 370 N 0.00 0.00 -0.19 -2.12 -0.00 -1.26 0.12 117.00 113.55 1i41 n LEU 370 Ca -0.04 0.72 0.23 0.00 -0.00 0.00 0.00 56.01 56.91 1i41 n LEU 370 Cb 0.38 -0.28 0.61 0.00 -0.00 0.00 0.00 43.42 44.13 1i41 n LEU 370 CO 0.20 -0.28 1.23 -0.07 -0.00 0.00 0.00 177.39 178.48 1i41 h LEU 371 N 0.00 0.22 0.10 -1.96 -0.00 -1.97 0.39 115.31 112.09 1i41 h LEU 371 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1i41 h LEU 371 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1i41 h LEU 371 CO 0.00 0.09 -0.05 0.74 -0.00 0.00 0.00 178.44 179.22 1i41 h THR 372 N 0.22 1.11 -0.80 0.22 2.02 -1.04 -2.00 112.91 112.63 1i41 h THR 372 Ca 0.43 -1.25 0.08 0.00 0.77 0.00 0.00 66.41 66.44 1i41 h THR 372 Cb 1.35 1.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.54 1i41 h THR 372 CO -0.10 0.28 0.47 0.74 0.37 0.00 0.00 175.52 177.28 1i41 h THR 373 N -0.76 0.96 -0.34 3.16 2.02 0.18 -1.16 112.91 116.97 1i41 h THR 373 Ca -0.01 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1i41 h THR 373 Cb 0.57 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1i41 h THR 373 CO 0.02 0.15 0.17 0.00 0.37 0.00 0.00 175.52 176.23 1i41 h ALA 374 N 1.42 0.42 -0.99 6.16 0.00 -0.99 -0.86 119.26 124.41 1i41 h ALA 374 Ca 0.37 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.50 1i41 h ALA 374 Cb 0.27 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 1i41 h ALA 374 CO -0.21 -0.21 0.62 -0.22 0.00 0.00 0.00 179.25 179.23 1i41 h LYS 375 N 0.35 0.60 0.31 0.00 3.64 -0.44 -0.34 116.57 120.69 1i41 h LYS 375 Ca 0.14 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1i41 h LYS 375 Cb 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1i41 h LYS 375 CO -0.10 0.40 -0.15 0.35 -2.27 0.00 0.00 179.45 177.67 1i41 h PHE 376 N 0.62 -0.39 -0.94 1.91 3.57 -0.59 -2.35 116.94 118.77 1i41 h PHE 376 Ca 0.56 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.24 1i41 h PHE 376 Cb 1.07 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.86 1i41 h PHE 376 CO -0.00 -0.24 0.60 -0.39 -2.23 0.00 0.00 178.31 176.05 1i41 h VAL 377 N -0.43 0.72 -0.03 1.41 -1.51 -1.11 0.36 116.25 115.67 1i41 h VAL 377 Ca -0.04 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 1i41 h VAL 377 Cb 0.32 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.55 1i41 h VAL 377 CO 0.07 0.11 -0.05 0.44 -1.23 0.00 0.00 177.57 176.91 1i41 h ASP 378 N 0.60 0.04 0.77 4.19 5.19 -0.99 -2.07 116.42 124.15 1i41 h ASP 378 Ca 0.50 -0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.78 1i41 h ASP 378 Cb 0.98 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 1i41 h ASP 378 CO -0.25 0.09 -0.62 0.00 -3.12 0.00 0.00 179.24 175.34 1i41 h ALA 379 N 1.92 0.87 -2.56 3.45 0.00 0.28 -3.45 119.26 119.77 1i41 h ALA 379 Ca 0.01 -0.57 -0.57 0.00 0.00 0.00 0.00 54.91 53.78 1i41 h ALA 379 Cb 0.11 -0.10 0.13 0.00 0.00 0.00 0.00 17.79 17.93 1i41 h ALA 379 CO 0.01 0.78 0.31 1.28 0.00 0.00 0.00 179.25 181.62 1i41 n LEU 380 N -3.64 3.30 -0.03 0.00 4.77 -0.78 -4.84 117.00 115.77 1i41 n LEU 380 Ca -0.01 1.06 -0.01 0.00 -0.03 0.00 0.00 56.01 57.02 1i41 n LEU 380 Cb 0.65 -1.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.25 1i41 n LEU 380 CO 0.42 -1.13 -0.72 0.29 -1.33 0.00 0.00 177.39 174.91 1i41 n LYS 381 N 0.04 1.87 -0.09 3.23 4.76 -1.26 -4.85 118.16 121.86 1i41 n LYS 381 Ca 0.08 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.38 1i41 n LYS 381 Cb 0.40 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 32.32 1i41 n LYS 381 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1i41 n ILE 382 N -2.16 1.46 -1.75 -0.18 5.41 -1.26 -4.95 119.36 115.94 1i41 n ILE 382 Ca -0.10 0.11 -0.35 0.00 1.00 0.00 0.00 62.75 63.41 1i41 n ILE 382 Cb 0.60 -2.26 0.06 0.00 -0.71 0.00 0.00 39.64 37.34 1i41 n ILE 382 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1i41 s PRO 383 N -2.33 2.63 0.08 0.38 0.04 -1.26 -4.76 135.00 129.78 1i41 s PRO 383 Ca -0.21 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 1i41 s PRO 383 Cb 0.04 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1i41 s PRO 383 CO 0.36 -1.44 0.44 0.71 0.04 0.00 0.00 177.00 177.11 1i41 s TYR 384 N -1.92 3.62 -0.55 0.56 2.02 -0.06 -4.82 117.35 116.20 1i41 s TYR 384 Ca 0.74 0.90 -0.23 0.00 -0.37 0.00 0.00 57.07 58.11 1i41 s TYR 384 Cb -0.27 -2.24 0.05 0.00 -0.40 0.00 0.00 41.96 39.10 1i41 s TYR 384 CO 0.39 0.52 0.87 0.42 -1.57 0.00 0.00 175.55 176.19 1i41 s ILE 385 N -1.35 4.49 0.08 2.71 1.01 -1.26 -0.92 121.20 125.96 1i41 s ILE 385 Ca 0.32 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.74 1i41 s ILE 385 Cb -0.15 -4.50 0.09 0.00 0.01 0.00 0.00 42.46 37.91 1i41 s ILE 385 CO 0.17 -1.08 1.11 0.00 0.00 0.00 0.00 174.94 175.14 1i41 s ALA 386 N 3.66 -1.91 1.00 9.38 0.00 -0.74 -4.97 121.76 128.18 1i41 s ALA 386 Ca 0.26 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1i41 s ALA 386 Cb -0.14 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1i41 s ALA 386 CO 0.17 -1.05 0.00 -2.30 0.00 0.00 0.00 175.76 172.57 1i41 n PRO 387 N -0.49 0.52 -1.25 0.00 -0.02 -1.26 -4.42 135.00 128.08 1i41 n PRO 387 Ca -0.07 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.58 1i41 n PRO 387 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.05 1i41 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i41 n SER 388 N -0.91 -7.43 -3.64 2.55 2.88 -1.26 -4.95 113.62 100.87 1i41 n SER 388 Ca 0.00 0.60 -0.02 0.00 -1.33 0.00 0.00 58.87 58.12 1i41 n SER 388 Cb 0.00 -3.84 -0.02 0.00 -0.75 0.00 0.00 64.21 59.60 1i41 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i41 s PHE 389 N -2.33 -0.01 0.00 0.66 -0.12 -1.26 -4.92 117.98 110.00 1i41 s PHE 389 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1i41 s PHE 389 Cb 0.00 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1i41 s PHE 389 CO 0.00 -0.01 0.00 0.41 -0.05 0.00 0.00 175.22 175.57 1i41 n GLY 390 N -0.04 0.32 3.94 1.99 0.00 -1.26 -4.20 105.19 105.93 1i41 n GLY 390 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1i41 n GLY 390 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 391 N -1.51 1.65 0.41 -0.02 0.00 -1.26 -4.29 107.32 102.30 1i41 s GLY 391 Ca 0.00 -1.00 0.16 0.00 0.00 0.00 0.00 44.72 43.88 1i41 s GLY 391 CO 0.00 -0.75 1.87 0.00 0.00 0.00 0.00 173.10 174.21 1i41 s GLU 393 N -5.45 4.71 0.32 0.00 8.01 -1.26 -0.80 118.70 124.24 1i41 s GLU 393 Ca -0.08 1.53 -0.27 0.00 0.01 0.00 0.00 54.97 56.16 1i41 s GLU 393 Cb 0.22 -3.33 -0.09 0.00 -4.31 0.00 0.00 34.13 26.62 1i41 s GLU 393 CO 0.78 0.25 0.99 -1.12 0.01 0.00 0.00 175.26 176.17 1i41 s SER 394 N -0.32 7.25 0.02 -0.19 0.01 -1.26 -4.44 113.70 114.77 1i41 s SER 394 Ca 0.46 1.96 0.02 0.00 1.31 0.00 0.00 55.95 59.70 1i41 s SER 394 Cb -0.26 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 1i41 s SER 394 CO 0.32 -0.13 -0.07 -0.63 0.41 0.00 0.00 173.24 173.14 1i41 s ILE 395 N -1.49 0.51 0.11 1.44 1.01 -0.81 -0.88 121.20 121.09 1i41 s ILE 395 Ca 0.50 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1i41 s ILE 395 Cb -0.22 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1i41 s ILE 395 CO 0.28 -0.12 -0.09 0.68 0.00 0.00 0.00 174.94 175.69 1i41 s VAL 396 N -0.76 0.96 -0.05 2.92 -7.23 -0.10 -0.70 120.40 115.45 1i41 s VAL 396 Ca -0.04 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 1i41 s VAL 396 Cb -0.06 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.41 1i41 s VAL 396 CO 0.00 -0.68 0.91 1.51 -0.31 0.00 0.00 175.10 176.52 1i41 s ASP 397 N -2.80 -0.38 -0.78 4.85 -4.77 -1.13 -1.79 116.67 109.87 1i41 s ASP 397 Ca 0.10 0.14 -0.06 0.00 -3.30 0.00 0.00 52.55 49.44 1i41 s ASP 397 Cb 0.01 0.37 0.20 0.00 -1.09 0.00 0.00 42.92 42.41 1i41 s ASP 397 CO -0.01 -0.55 0.66 -1.58 0.70 0.00 0.00 175.17 174.40 1i41 s GLN 398 N -2.49 3.13 0.21 2.11 0.74 -1.26 -1.96 119.66 120.14 1i41 s GLN 398 Ca 0.02 -2.78 0.11 0.00 0.05 0.00 0.00 55.36 52.76 1i41 s GLN 398 Cb -0.01 -4.02 0.74 0.00 1.10 0.00 0.00 33.01 30.82 1i41 s GLN 398 CO -0.05 -1.23 0.91 -2.30 -0.55 0.00 0.00 175.29 172.07 1i41 n PRO 399 N 3.21 -0.04 -0.14 1.67 -0.02 -1.26 0.64 135.00 139.07 1i41 n PRO 399 Ca 0.14 0.80 -0.04 0.00 -2.02 0.00 0.00 63.50 62.39 1i41 n PRO 399 Cb 0.40 -1.42 0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1i41 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i41 h ALA 400 N 1.15 0.30 0.00 3.55 0.00 -1.83 -1.17 119.26 121.27 1i41 h ALA 400 Ca 0.47 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 55.41 1i41 h ALA 400 Cb 1.23 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1i41 h ALA 400 CO -0.46 -0.45 -0.95 0.82 0.00 0.00 0.00 179.25 178.22 1i41 h ILE 401 N 0.00 0.65 -1.11 0.00 2.04 -0.12 -0.19 117.51 118.79 1i41 h ILE 401 Ca 0.21 -1.80 0.32 0.00 1.00 0.00 0.00 64.86 64.59 1i41 h ILE 401 Cb 0.33 1.55 -0.11 0.00 -0.74 0.00 0.00 36.82 37.84 1i41 h ILE 401 CO -0.46 0.22 0.70 -0.03 0.00 0.00 0.00 178.15 178.58 1i41 h MET 402 N -1.00 0.29 0.00 2.37 4.05 -0.85 -3.20 114.93 116.60 1i41 h MET 402 Ca -0.22 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.12 1i41 h MET 402 Cb 1.02 -0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 31.64 1i41 h MET 402 CO -0.13 0.19 -0.45 0.43 0.23 0.00 0.00 176.91 177.18 1i41 n SER 403 N -4.73 0.05 -0.01 1.39 7.64 -0.47 -4.90 113.62 112.59 1i41 n SER 403 Ca 0.30 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1i41 n SER 403 Cb 1.05 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1i41 n SER 403 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1i41 n TYR 404 N 0.11 0.00 0.32 1.43 4.02 -1.04 -4.89 117.16 117.12 1i41 n TYR 404 Ca -0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.97 1i41 n TYR 404 Cb 0.75 0.09 0.50 0.00 -0.02 0.00 0.00 39.34 40.66 1i41 n TYR 404 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1i41 n TRP 405 N 0.00 0.75 1.28 -0.72 -0.00 -0.10 -1.75 117.44 116.89 1i41 n TRP 405 Ca 0.00 0.32 0.13 0.00 -0.00 0.00 0.00 57.50 57.95 1i41 n TRP 405 Cb 0.50 -1.02 0.66 0.00 -0.00 0.00 0.00 31.31 31.46 1i41 n TRP 405 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1i41 n ASP 406 N -2.21 0.00 -4.74 5.87 5.75 -1.26 -4.81 116.55 115.15 1i41 n ASP 406 Ca 0.01 -0.20 -0.23 0.00 -0.01 0.00 0.00 54.79 54.36 1i41 n ASP 406 Cb 0.17 -0.24 -0.06 0.00 -1.03 0.00 0.00 41.12 39.96 1i41 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i41 s LEU 407 N -2.48 3.23 0.49 -2.12 1.43 -0.72 -5.13 118.68 113.39 1i41 s LEU 407 Ca 0.27 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1i41 s LEU 407 Cb 0.17 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.63 1i41 s LEU 407 CO 0.37 -0.38 0.94 -0.94 0.23 0.00 0.00 176.35 176.57 1i41 s SER 408 N -3.88 6.60 0.42 2.29 1.04 -1.26 -4.82 113.70 114.08 1i41 s SER 408 Ca 0.39 1.47 0.21 0.00 0.48 0.00 0.00 55.95 58.51 1i41 s SER 408 Cb -0.01 -2.47 1.18 0.00 0.10 0.00 0.00 66.02 64.82 1i41 s SER 408 CO 0.23 -0.54 1.76 -0.61 0.98 0.00 0.00 173.24 175.05 1i41 h GLN 409 N 1.00 0.31 0.01 4.02 5.75 -1.97 0.37 115.11 124.60 1i41 h GLN 409 Ca -0.47 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1i41 h GLN 409 Cb 1.19 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1i41 h GLN 409 CO 0.62 0.21 -0.01 0.66 -2.65 0.00 0.00 178.83 177.66 1i41 h SER 410 N 0.32 -0.02 0.16 -0.69 4.64 -1.99 -2.86 113.55 113.11 1i41 h SER 410 Ca 0.61 -0.73 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1i41 h SER 410 Cb 1.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1i41 h SER 410 CO -0.28 0.74 -0.05 0.44 -0.87 0.00 0.00 176.83 176.81 1i41 h ASP 411 N -0.80 0.00 0.09 4.97 3.32 -1.55 -2.19 116.42 120.26 1i41 h ASP 411 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1i41 h ASP 411 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1i41 h ASP 411 CO 0.00 0.05 -0.05 0.03 -1.72 0.00 0.00 179.24 177.56 1i41 h ARG 412 N 0.00 -0.12 0.00 3.56 3.08 -0.35 -2.97 114.38 117.58 1i41 h ARG 412 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1i41 h ARG 412 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1i41 h ARG 412 CO 0.01 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1i41 h ALA 413 N 0.11 1.00 0.00 0.04 0.00 -1.22 -1.81 119.26 117.39 1i41 h ALA 413 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i41 h ALA 413 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1i41 h ALA 413 CO 0.02 0.00 0.29 -0.22 0.00 0.00 0.00 179.25 179.34 1i41 h LYS 414 N 0.00 0.00 -1.22 0.00 3.64 -1.24 -2.42 116.57 115.33 1i41 h LYS 414 Ca 0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.99 1i41 h LYS 414 Cb 0.04 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.46 1i41 h LYS 414 CO 0.00 0.00 -1.19 0.66 -2.27 0.00 0.00 179.45 176.65 1i41 n TYR 415 N -2.35 0.99 0.00 1.91 4.01 -0.68 -4.98 117.16 116.06 1i41 n TYR 415 Ca -0.01 -3.02 0.00 0.00 -0.16 0.00 0.00 57.90 54.71 1i41 n TYR 415 Cb 0.32 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1i41 n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 416 N 0.01 0.00 3.60 2.72 0.00 -0.91 -4.88 105.19 105.73 1i41 n GLY 416 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1i41 n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 417 N -0.63 3.20 0.26 -0.61 -1.09 -1.22 -4.95 121.20 116.15 1i41 s ILE 417 Ca 0.00 0.21 0.08 0.00 -2.23 0.00 0.00 60.65 58.71 1i41 s ILE 417 Cb 0.00 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1i41 s ILE 417 CO 0.00 -0.15 0.09 -0.04 -1.23 0.00 0.00 174.94 173.60 1i41 s MET 418 N 5.95 2.59 0.08 2.79 -1.94 -1.26 -3.59 119.30 123.91 1i41 s MET 418 Ca 0.92 -1.25 0.21 0.00 -1.71 0.00 0.00 55.69 53.86 1i41 s MET 418 Cb -0.30 -2.35 0.84 0.00 2.01 0.00 0.00 34.83 35.04 1i41 s MET 418 CO 0.35 0.38 1.64 -0.25 -0.01 0.00 0.00 175.02 177.13 1i41 n ASP 419 N -1.01 0.23 -0.01 3.03 9.92 -1.26 -2.58 116.55 124.87 1i41 n ASP 419 Ca -0.07 0.55 -0.15 0.00 -0.53 0.00 0.00 54.79 54.58 1i41 n ASP 419 Cb 0.58 -0.60 -0.14 0.00 -0.64 0.00 0.00 41.12 40.32 1i41 n ASP 419 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1i41 n ASN 420 N -1.75 1.51 -4.70 -2.24 4.13 -1.26 -4.14 115.26 106.82 1i41 n ASN 420 Ca 0.04 0.29 -0.63 0.00 1.68 0.00 0.00 54.58 55.96 1i41 n ASN 420 Cb 0.24 -0.45 -0.09 0.00 -1.54 0.00 0.00 39.78 37.94 1i41 n ASN 420 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1i41 n LEU 421 N -3.26 1.42 -4.09 3.41 7.94 -1.07 -3.17 117.00 118.18 1i41 n LEU 421 Ca -0.25 1.15 -0.24 0.00 -1.11 0.00 0.00 56.01 55.55 1i41 n LEU 421 Cb 1.05 -0.98 -0.16 0.00 0.53 0.00 0.00 43.42 43.86 1i41 n LEU 421 CO 0.44 -0.87 -0.48 -0.69 -1.11 0.00 0.00 177.39 174.67 1i41 s VAL 422 N 2.61 1.21 -0.30 1.96 1.01 -0.11 -4.15 120.40 122.62 1i41 s VAL 422 Ca 1.00 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1i41 s VAL 422 Cb -1.31 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 34.06 1i41 s VAL 422 CO 0.72 0.36 0.03 -0.60 0.00 0.00 0.00 175.10 175.60 1i41 s ARG 423 N 0.11 2.63 -0.28 2.72 3.52 -0.83 -0.53 118.95 126.29 1i41 s ARG 423 Ca -0.04 -1.14 -0.09 0.00 -0.13 0.00 0.00 55.73 54.32 1i41 s ARG 423 Cb -0.11 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1i41 s ARG 423 CO 0.02 -0.57 0.14 0.12 -0.81 0.00 0.00 175.30 174.20 1i41 s PHE 424 N 1.33 3.16 -0.64 5.12 2.19 0.17 -2.82 117.98 126.50 1i41 s PHE 424 Ca -0.02 -0.30 -0.13 0.00 0.33 0.00 0.00 56.93 56.80 1i41 s PHE 424 Cb -0.19 -2.33 0.16 0.00 -1.31 0.00 0.00 43.02 39.35 1i41 s PHE 424 CO -0.00 -0.34 0.56 0.45 1.83 0.00 0.00 175.22 177.72 1i41 s SER 425 N 1.66 6.22 0.24 6.13 0.15 0.12 -0.19 113.70 128.03 1i41 s SER 425 Ca 0.06 -2.23 -0.31 0.00 0.70 0.00 0.00 55.95 54.17 1i41 s SER 425 Cb -0.16 -2.14 -0.11 0.00 -1.71 0.00 0.00 66.02 61.89 1i41 s SER 425 CO 0.07 -0.68 1.63 -0.36 1.20 0.00 0.00 173.24 175.10 1i41 s PHE 426 N 0.90 2.88 0.00 3.44 0.08 -0.73 -1.92 117.98 122.63 1i41 s PHE 426 Ca 0.10 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.74 1i41 s PHE 426 Cb -0.21 -4.06 0.00 0.00 -0.57 0.00 0.00 43.02 38.18 1i41 s PHE 426 CO -0.02 -3.80 0.00 0.41 -0.10 0.00 0.00 175.22 171.70 1i41 n GLY 427 N 3.15 0.40 0.00 4.36 0.00 -1.26 -4.78 105.19 107.06 1i41 n GLY 427 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1i41 n GLY 427 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i41 n VAL 428 N 0.00 0.00 -0.73 1.61 0.31 0.02 -4.56 118.33 114.98 1i41 n VAL 428 Ca 0.00 -0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 63.75 1i41 n VAL 428 Cb 0.00 1.31 0.15 0.00 -0.91 0.00 0.00 33.84 34.39 1i41 n VAL 428 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i41 n GLU 429 N -0.19 -0.96 -1.88 5.55 4.71 -1.26 -4.85 120.64 121.75 1i41 n GLU 429 Ca 0.00 -0.25 -0.41 0.00 -0.01 0.00 0.00 57.16 56.49 1i41 n GLU 429 Cb 0.08 -1.77 -0.01 0.00 -1.01 0.00 0.00 31.44 28.73 1i41 n GLU 429 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1i41 s ASP 430 N -1.92 6.45 0.10 1.62 2.15 -1.26 -4.88 116.67 118.94 1i41 s ASP 430 Ca 0.56 2.95 -0.33 0.00 0.43 0.00 0.00 52.55 56.17 1i41 s ASP 430 Cb -0.16 -2.66 -0.13 0.00 -0.30 0.00 0.00 42.92 39.67 1i41 s ASP 430 CO 0.67 -0.79 1.58 0.15 -0.17 0.00 0.00 175.17 176.61 1i41 h PHE 431 N 3.24 -1.27 -0.70 -5.34 3.57 -2.00 -1.59 116.94 112.85 1i41 h PHE 431 Ca -0.50 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.16 1i41 h PHE 431 Cb 1.23 0.53 -0.10 0.00 2.79 0.00 0.00 35.95 40.41 1i41 h PHE 431 CO 0.54 -0.56 0.22 -0.44 -2.23 0.00 0.00 178.31 175.84 1i41 h ASP 432 N -0.76 0.13 -0.25 0.41 3.32 -1.99 0.26 116.42 117.55 1i41 h ASP 432 Ca -0.00 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1i41 h ASP 432 Cb 0.74 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 1i41 h ASP 432 CO -0.20 0.04 -0.09 0.44 -1.72 0.00 0.00 179.24 177.72 1i41 h ASP 433 N 0.35 -0.30 0.49 6.45 3.32 -1.82 0.35 116.42 125.26 1i41 h ASP 433 Ca 0.38 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 1i41 h ASP 433 Cb 0.59 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1i41 h ASP 433 CO -0.43 -0.11 -0.24 -0.07 -1.72 0.00 0.00 179.24 176.67 1i41 h LEU 434 N -0.03 -0.56 -0.34 1.55 3.38 -0.21 -2.59 115.31 116.51 1i41 h LEU 434 Ca 0.13 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1i41 h LEU 434 Cb 0.23 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1i41 h LEU 434 CO -0.28 -0.28 -0.50 0.50 0.09 0.00 0.00 178.44 177.97 1i41 h LYS 435 N -0.83 -0.40 -0.75 1.13 3.64 -0.35 0.56 116.57 119.58 1i41 h LYS 435 Ca -0.07 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.51 1i41 h LYS 435 Cb 0.58 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.36 1i41 h LYS 435 CO 0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 179.45 177.03 1i41 h ALA 436 N 0.10 0.77 0.46 5.00 0.00 -0.95 0.45 119.26 125.10 1i41 h ALA 436 Ca 0.09 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1i41 h ALA 436 Cb 0.61 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1i41 h ALA 436 CO -0.55 -0.42 -0.30 0.22 0.00 0.00 0.00 179.25 178.20 1i41 h ASP 437 N 0.10 -0.75 -0.66 0.00 3.58 -0.60 0.24 116.42 118.34 1i41 h ASP 437 Ca 0.41 0.04 0.13 0.00 0.42 0.00 0.00 57.03 58.03 1i41 h ASP 437 Cb 0.72 0.22 -0.13 0.00 1.72 0.00 0.00 39.33 41.86 1i41 h ASP 437 CO -0.66 -0.45 -0.18 0.40 -2.88 0.00 0.00 179.24 175.47 1i41 h ILE 438 N -0.72 0.32 0.17 2.25 2.04 -0.12 0.44 117.51 121.90 1i41 h ILE 438 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1i41 h ILE 438 Cb 0.58 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1i41 h ILE 438 CO 0.06 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.98 1i41 h LEU 439 N -0.02 -0.42 -1.56 1.44 3.38 0.11 0.83 115.31 119.07 1i41 h LEU 439 Ca 0.31 0.03 0.42 0.00 0.09 0.00 0.00 57.88 58.73 1i41 h LEU 439 Cb 0.49 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 1i41 h LEU 439 CO -0.68 -0.21 0.90 -0.61 0.09 0.00 0.00 178.44 177.93 1i41 h GLN 440 N -0.32 0.11 0.43 1.13 -0.00 0.13 0.48 115.11 117.06 1i41 h GLN 440 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1i41 h GLN 440 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1i41 h GLN 440 CO -0.01 0.07 -0.21 0.00 0.00 0.00 0.00 178.83 178.69 1i41 h ALA 441 N 1.49 -1.02 -1.37 3.38 0.00 0.11 -3.17 119.26 118.69 1i41 h ALA 441 Ca 0.77 -0.13 0.45 0.00 0.00 0.00 0.00 54.91 56.00 1i41 h ALA 441 Cb 2.53 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 20.42 1i41 h ALA 441 CO -0.29 -0.98 0.89 -0.07 0.00 0.00 0.00 179.25 178.81 1i41 h LEU 442 N -0.64 0.22 -0.71 0.00 3.38 0.14 -0.16 115.31 117.53 1i41 h LEU 442 Ca -0.06 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1i41 h LEU 442 Cb 0.44 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1i41 h LEU 442 CO 0.10 -0.19 0.47 0.44 0.09 0.00 0.00 178.44 179.34 1i41 h ASP 443 N 0.06 0.80 -0.33 -0.43 5.19 -1.43 -2.78 116.42 117.51 1i41 h ASP 443 Ca 0.84 -0.02 0.09 0.00 -0.62 0.00 0.00 57.03 57.32 1i41 h ASP 443 Cb 2.69 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 41.99 1i41 h ASP 443 CO -0.41 0.58 1.02 -1.28 -3.12 0.00 0.00 179.24 176.03 1i41 h SER 444 N 0.95 0.00 -0.03 6.45 0.87 -1.10 -3.53 113.55 117.16 1i41 h SER 444 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1i41 h SER 444 Cb -0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1i41 h SER 444 CO -0.06 0.00 0.00 -0.38 -0.53 0.00 0.00 176.83 175.86