#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 -0.08 2.98 0.00 -1.26 -5.03 121.76 122.25 1i41 s ALA 51 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1i41 s ALA 51 Cb 0.00 -1.89 -0.26 0.00 0.00 0.00 0.00 23.12 20.97 1i41 s ALA 51 CO 0.00 0.39 0.52 0.66 0.00 0.00 0.00 175.76 177.33 1i41 h SER 52 N 1.78 0.36 0.65 0.00 4.64 -2.06 -3.36 113.55 115.57 1i41 h SER 52 Ca -0.49 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.10 1i41 h SER 52 Cb 1.20 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1i41 h SER 52 CO 0.66 1.65 0.00 2.22 -0.87 0.00 0.00 176.83 180.49 1i41 n PHE 53 N -3.41 0.08 -3.57 4.77 1.16 -1.26 -4.49 117.46 110.73 1i41 n PHE 53 Ca -0.26 0.03 -0.41 0.00 -1.87 0.00 0.00 57.45 54.94 1i41 n PHE 53 Cb 1.05 -0.54 -0.09 0.00 -1.61 0.00 0.00 39.48 38.28 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 -3.13 5.26 -0.24 5.98 1.43 -1.26 -4.93 118.68 121.79 1i41 s LEU 54 Ca 0.09 -1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 1i41 s LEU 54 Cb 0.12 -2.02 -0.16 0.00 0.03 0.00 0.00 46.19 44.16 1i41 s LEU 54 CO 0.34 -0.56 -0.11 0.59 0.23 0.00 0.00 176.35 176.83 1i41 n ASN 55 N 4.96 1.96 -4.76 2.29 3.02 -1.26 -4.85 115.26 116.62 1i41 n ASN 55 Ca -0.10 0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 1i41 n ASN 55 Cb 0.43 -0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 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 -7.08 6.80 0.17 6.41 0.15 -1.26 -4.94 113.70 113.94 1i41 s SER 56 Ca -0.34 2.62 -0.15 0.00 0.70 0.00 0.00 55.95 58.78 1i41 s SER 56 Cb 0.11 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.90 1i41 s SER 56 CO 0.57 -0.54 1.74 0.44 1.20 0.00 0.00 173.24 176.65 1i41 h ASP 57 N 4.04 0.11 -0.74 5.45 3.32 -2.00 -2.36 116.42 124.25 1i41 h ASP 57 Ca -0.48 0.06 0.15 0.00 0.02 0.00 0.00 57.03 56.78 1i41 h ASP 57 Cb 1.22 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.72 1i41 h ASP 57 CO 0.70 0.10 0.22 1.23 -1.72 0.00 0.00 179.24 179.77 1i41 h GLY 58 N 0.29 1.06 1.01 2.75 0.00 -1.99 0.13 103.07 106.32 1i41 h GLY 58 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1i41 h GLY 58 CO -0.22 -0.16 0.44 1.76 0.00 0.00 0.00 176.54 178.36 1i41 h SER 59 N 0.33 0.96 0.59 0.19 0.02 -1.83 -2.75 113.55 111.06 1i41 h SER 59 Ca 0.41 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1i41 h SER 59 Cb 0.68 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1i41 h SER 59 CO -0.47 0.77 -0.28 0.58 -1.14 0.00 0.00 176.83 176.29 1i41 h VAL 60 N 1.07 0.00 -1.50 2.27 2.07 -0.57 -1.63 116.25 117.97 1i41 h VAL 60 Ca 0.28 -0.07 0.48 0.00 0.82 0.00 0.00 66.70 68.20 1i41 h VAL 60 Cb 0.01 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.67 1i41 h VAL 60 CO -0.05 0.00 1.02 0.00 0.02 0.00 0.00 177.57 178.56 1i41 n ALA 61 N -2.45 1.46 0.01 1.67 0.00 0.22 0.26 120.51 121.68 1i41 n ALA 61 Ca -0.10 0.71 -0.02 0.00 0.00 0.00 0.00 53.44 54.04 1i41 n ALA 61 Cb 0.31 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.44 0.00 2.04 -1.16 -3.38 117.51 114.56 1i41 h ILE 62 Ca 0.83 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1i41 h ILE 62 Cb 2.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1i41 h ILE 62 CO -0.25 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.31 1i41 n HIS 63 N -3.83 0.59 -1.82 1.37 8.25 -0.32 -4.91 115.22 114.55 1i41 n HIS 63 Ca -0.01 -0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 56.73 1i41 n HIS 63 Cb 0.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.41 3.69 -1.32 -1.41 0.00 0.71 -2.65 121.76 119.38 1i41 s ALA 64 Ca 0.33 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 1i41 s ALA 64 Cb 0.17 -3.75 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1i41 s ALA 64 CO 0.23 -1.24 0.95 0.41 0.00 0.00 0.00 175.76 176.11 1i41 n GLY 65 N 4.18 -0.40 2.18 0.00 0.00 -1.26 -4.38 105.19 105.50 1i41 n GLY 65 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.46 0.00 -0.34 1.61 1.02 -1.08 -4.81 120.64 112.57 1i41 n GLU 66 Ca -0.17 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.14 1i41 n GLU 66 Cb 0.62 0.00 0.40 0.00 -0.02 0.00 0.00 31.44 32.44 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 0.57 0.00 3.49 9.65 -1.82 -1.25 114.38 125.02 1i41 h ARG 67 Ca 0.00 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 1i41 h ARG 67 Cb 0.00 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 1i41 h ARG 67 CO 0.00 0.38 -0.74 -0.07 2.80 0.00 0.00 179.97 182.34 1i41 h LEU 68 N 0.59 0.00 0.00 3.80 3.38 -1.93 -3.49 115.31 117.66 1i41 h LEU 68 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1i41 h LEU 68 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1i41 h LEU 68 CO -0.39 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1i41 n GLY 69 N 1.22 2.99 0.00 0.83 0.00 -0.47 -5.07 105.19 104.70 1i41 n GLY 69 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1i41 n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i41 n ARG 70 N -1.06 2.58 0.00 1.61 0.63 -1.26 -3.67 116.66 115.49 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1i41 n ARG 70 Cb 0.00 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.04 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i41 n GLY 71 N 2.22 0.40 2.58 5.14 0.00 -1.26 -4.92 105.19 109.36 1i41 n GLY 71 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.93 0.31 -1.67 -0.61 3.06 -1.26 -5.10 119.36 112.16 1i41 n ILE 72 Ca 0.00 -4.23 -0.64 0.00 -2.50 0.00 0.00 62.75 55.38 1i41 n ILE 72 Cb 0.00 -1.94 -0.09 0.00 0.54 0.00 0.00 39.64 38.15 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 2.16 0.02 -3.61 9.51 0.31 -1.26 -4.98 118.33 120.48 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 0.43 -0.41 -0.07 0.00 -0.91 0.00 0.00 33.84 32.88 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 2.07 0.00 -0.98 2.52 -4.23 -1.26 -5.00 115.64 108.76 1i41 s THR 74 Ca 1.00 -0.02 0.06 0.00 -1.18 0.00 0.00 61.69 61.55 1i41 s THR 74 Cb -1.39 -0.95 0.31 0.00 1.34 0.00 0.00 72.50 71.81 1i41 s THR 74 CO 0.73 -0.01 1.04 -0.90 -0.54 0.00 0.00 174.62 174.94 1i41 n ASP 75 N 2.08 2.60 -4.88 3.99 5.75 -1.26 -4.87 116.55 119.96 1i41 n ASP 75 Ca -0.16 -2.29 -0.31 0.00 -0.01 0.00 0.00 54.79 52.02 1i41 n ASP 75 Cb 0.56 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.68 3.51 -0.04 2.12 0.00 -1.26 -5.03 121.76 119.39 1i41 s ALA 76 Ca 0.21 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 1i41 s ALA 76 Cb 0.15 -2.49 -0.14 0.00 0.00 0.00 0.00 23.12 20.64 1i41 s ALA 76 CO 0.08 0.34 0.86 0.82 0.00 0.00 0.00 175.76 177.86 1i41 h ILE 77 N 1.70 0.55 -4.16 0.00 2.04 -2.03 -3.47 117.51 112.14 1i41 h ILE 77 Ca -0.47 -0.86 -0.45 0.00 1.00 0.00 0.00 64.86 64.07 1i41 h ILE 77 Cb 1.18 0.89 0.14 0.00 -0.74 0.00 0.00 36.82 38.29 1i41 h ILE 77 CO 0.67 0.13 0.35 0.42 0.00 0.00 0.00 178.15 179.72 1i41 s THR 78 N -3.62 1.95 -0.02 -0.27 -4.23 -1.26 -4.99 115.64 103.19 1i41 s THR 78 Ca -0.12 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.18 1i41 s THR 78 Cb 0.01 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1i41 s THR 78 CO 0.41 0.00 0.62 -0.89 -0.54 0.00 0.00 174.62 174.23 1i41 s THR 79 N -3.54 4.95 -0.01 3.99 2.01 -1.26 -5.04 115.64 116.75 1i41 s THR 79 Ca 0.68 1.30 -0.30 0.00 0.31 0.00 0.00 61.69 63.67 1i41 s THR 79 Cb -0.09 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1i41 s THR 79 CO 0.52 0.37 1.05 -2.16 -0.69 0.00 0.00 174.62 173.71 1i41 s PRO 80 N 0.12 4.50 -0.47 4.92 0.05 -1.26 -4.98 135.00 137.88 1i41 s PRO 80 Ca 0.33 1.51 -0.28 0.00 0.05 0.00 0.00 61.00 62.60 1i41 s PRO 80 Cb -0.18 -3.45 0.01 0.00 0.05 0.00 0.00 34.50 30.93 1i41 s PRO 80 CO 0.17 -0.16 1.38 0.08 0.05 0.00 0.00 177.00 178.52 1i41 s VAL 81 N 1.25 3.90 -0.43 -0.36 1.01 -1.26 -4.49 120.40 120.02 1i41 s VAL 81 Ca 0.53 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 63.17 1i41 s VAL 81 Cb -0.23 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1i41 s VAL 81 CO 0.26 -0.92 0.69 -0.69 0.00 0.00 0.00 175.10 174.44 1i41 s VAL 82 N 5.54 4.78 -1.10 2.92 1.01 -1.26 -4.99 120.40 127.29 1i41 s VAL 82 Ca 0.57 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.74 1i41 s VAL 82 Cb -0.12 -4.23 0.29 0.00 0.00 0.00 0.00 36.38 32.32 1i41 s VAL 82 CO 0.30 -0.61 1.32 0.59 0.00 0.00 0.00 175.10 176.70 1i41 n ASN 83 N 6.38 5.99 -4.21 3.32 3.02 -1.26 -4.77 115.26 123.73 1i41 n ASN 83 Ca -0.00 -3.23 -0.18 0.00 -0.03 0.00 0.00 54.58 51.14 1i41 n ASN 83 Cb 0.48 -1.33 -0.11 0.00 -0.61 0.00 0.00 39.78 38.21 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 -2.02 1.22 -0.87 3.41 -1.32 -1.26 -5.02 115.64 109.78 1i41 s THR 84 Ca 0.31 -1.53 0.21 0.00 -1.21 0.00 0.00 61.69 59.47 1i41 s THR 84 Cb -0.02 -1.33 -0.24 0.00 -1.51 0.00 0.00 72.50 69.40 1i41 s THR 84 CO 0.02 -0.34 0.86 -1.54 -2.21 0.00 0.00 174.62 171.41 1i41 n SER 85 N 0.86 0.86 -3.73 8.08 3.41 -1.26 -4.74 113.62 117.11 1i41 n SER 85 Ca -0.18 -0.85 -0.08 0.00 -0.26 0.00 0.00 58.87 57.50 1i41 n SER 85 Cb 0.56 1.11 -0.02 0.00 -0.26 0.00 0.00 64.21 65.60 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 -3.07 -1.37 -0.01 7.33 0.00 -1.26 -2.03 121.76 121.35 1i41 s ALA 86 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1i41 s ALA 86 Cb 0.16 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 1i41 s ALA 86 CO 0.87 -0.96 -0.17 0.71 0.00 0.00 0.00 175.76 176.21 1i41 s TYR 87 N -3.80 1.56 0.60 0.00 1.51 -0.12 -4.91 117.35 112.19 1i41 s TYR 87 Ca 0.08 -0.30 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 1i41 s TYR 87 Cb -0.04 -1.01 0.09 0.00 -0.11 0.00 0.00 41.96 40.89 1i41 s TYR 87 CO 0.01 -0.03 0.82 -0.59 -1.11 0.00 0.00 175.55 174.65 1i41 s PHE 88 N -0.39 1.54 0.10 2.71 -0.12 -1.26 -4.74 117.98 115.81 1i41 s PHE 88 Ca 0.06 -0.60 0.04 0.00 -0.05 0.00 0.00 56.93 56.38 1i41 s PHE 88 Cb -0.07 -2.40 -0.04 0.00 -0.63 0.00 0.00 43.02 39.89 1i41 s PHE 88 CO -0.01 -1.23 -0.11 -0.06 -0.05 0.00 0.00 175.22 173.76 1i41 s PHE 89 N -2.75 1.10 -0.08 3.49 0.40 -1.26 -5.06 117.98 113.82 1i41 s PHE 89 Ca 0.62 -0.62 0.13 0.00 -0.60 0.00 0.00 56.93 56.46 1i41 s PHE 89 Cb -0.06 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.84 1i41 s PHE 89 CO 0.40 0.02 1.33 -0.91 0.70 0.00 0.00 175.22 176.75 1i41 h ASN 90 N 3.64 0.00 -4.57 1.36 2.35 -2.00 -3.48 115.58 112.89 1i41 h ASN 90 Ca -0.38 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.41 1i41 h ASN 90 Cb 1.19 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.37 1i41 h ASN 90 CO 0.51 0.65 0.40 -1.59 -1.65 0.00 0.00 177.43 175.75 1i41 s LYS 91 N -2.88 0.84 0.41 0.81 -2.85 -1.26 -5.03 119.74 109.78 1i41 s LYS 91 Ca 0.02 0.03 0.19 0.00 -1.00 0.00 0.00 55.97 55.21 1i41 s LYS 91 Cb 0.08 0.39 1.11 0.00 -2.06 0.00 0.00 37.83 37.35 1i41 s LYS 91 CO 0.77 -0.30 1.80 1.15 0.10 0.00 0.00 175.35 178.88 1i41 h THR 92 N 2.52 0.58 -0.15 3.79 2.02 -1.99 -1.45 112.91 118.23 1i41 h THR 92 Ca -0.23 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 66.86 1i41 h THR 92 Cb 1.19 0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 1i41 h THR 92 CO 0.34 0.07 -0.41 -1.28 0.37 0.00 0.00 175.52 174.61 1i41 h SER 93 N 0.39 -1.29 0.31 4.18 0.87 -2.00 -0.59 113.55 115.41 1i41 h SER 93 Ca 0.55 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 61.27 1i41 h SER 93 Cb 1.40 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 1i41 h SER 93 CO -0.24 -0.42 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.16 1i41 h GLU 94 N -0.47 -0.41 -0.94 2.24 5.08 -1.69 -2.32 114.58 116.07 1i41 h GLU 94 Ca 0.08 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.69 1i41 h GLU 94 Cb 0.62 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.78 1i41 h GLU 94 CO -0.40 -0.27 -0.11 1.25 -1.00 0.00 0.00 179.01 178.47 1i41 h LEU 95 N -0.42 -0.68 0.20 1.33 5.85 -1.10 0.61 115.31 121.11 1i41 h LEU 95 Ca -0.04 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1i41 h LEU 95 Cb 0.33 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1i41 h LEU 95 CO 0.07 -0.31 -0.29 0.40 -0.34 0.00 0.00 178.44 177.96 1i41 h ILE 96 N 0.01 0.38 -0.64 4.05 2.04 -0.68 -0.91 117.51 121.76 1i41 h ILE 96 Ca 0.50 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.44 1i41 h ILE 96 Cb 0.90 0.38 -0.10 0.00 -0.74 0.00 0.00 36.82 37.26 1i41 h ILE 96 CO -0.92 0.00 -0.52 0.44 0.00 0.00 0.00 178.15 177.15 1i41 h ASP 97 N -0.56 -1.80 -0.29 1.72 3.32 0.68 0.61 116.42 120.10 1i41 h ASP 97 Ca 0.01 0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.40 1i41 h ASP 97 Cb 0.55 0.78 -0.07 0.00 0.22 0.00 0.00 39.33 40.81 1i41 h ASP 97 CO -0.11 -0.33 -0.19 0.15 -1.72 0.00 0.00 179.24 177.04 1i41 h PHE 98 N -0.23 -0.47 -0.30 4.55 3.57 -0.80 0.26 116.94 123.52 1i41 h PHE 98 Ca 0.14 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1i41 h PHE 98 Cb 0.54 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1i41 h PHE 98 CO -0.80 -0.26 0.22 0.87 -2.23 0.00 0.00 178.31 176.11 1i41 h LYS 99 N -0.16 0.00 -0.66 1.11 1.79 0.49 0.21 116.57 119.35 1i41 h LYS 99 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1i41 h LYS 99 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1i41 h LYS 99 CO -0.39 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.37 1i41 n GLU 100 N -4.41 3.91 -3.71 3.15 1.02 0.19 -4.94 120.64 115.85 1i41 n GLU 100 Ca 0.04 -2.47 -0.23 0.00 -0.02 0.00 0.00 57.16 54.48 1i41 n GLU 100 Cb 0.39 -2.03 0.04 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.59 -5.54 0.00 3.49 4.01 0.74 -4.87 118.16 116.59 1i41 n LYS 101 Ca 0.22 0.66 0.00 0.00 -0.51 0.00 0.00 58.31 58.68 1i41 n LYS 101 Cb 0.95 -5.40 0.00 0.00 -0.51 0.00 0.00 35.03 30.06 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 -4.42 4.47 -4.31 1.97 1.74 -0.21 -5.00 116.66 110.89 1i41 n ARG 102 Ca -0.19 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.73 1i41 n ARG 102 Cb 0.63 -0.67 -0.10 0.00 -1.02 0.00 0.00 32.46 31.29 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 -1.35 1.26 -0.15 5.56 3.52 -1.24 -4.86 118.95 121.70 1i41 s ARG 103 Ca 0.00 -1.61 -0.01 0.00 -0.13 0.00 0.00 55.73 53.98 1i41 s ARG 103 Cb 0.00 -0.68 -0.02 0.00 -1.56 0.00 0.00 34.95 32.70 1i41 s ARG 103 CO 0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 175.30 174.37 1i41 s ALA 104 N -3.34 2.72 -0.25 6.12 0.00 -1.26 -4.52 121.76 121.23 1i41 s ALA 104 Ca 0.24 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 1i41 s ALA 104 Cb 0.04 -1.35 0.11 0.00 0.00 0.00 0.00 23.12 21.92 1i41 s ALA 104 CO 0.06 0.14 0.93 0.45 0.00 0.00 0.00 175.76 177.34 1i41 s SER 105 N 0.52 -0.52 0.47 0.00 0.15 -1.26 -5.02 113.70 108.03 1i41 s SER 105 Ca -0.07 0.94 0.26 0.00 0.70 0.00 0.00 55.95 57.78 1i41 s SER 105 Cb -0.15 0.93 0.67 0.00 -1.71 0.00 0.00 66.02 65.76 1i41 s SER 105 CO 0.04 -0.23 1.73 -0.26 1.20 0.00 0.00 173.24 175.72 1i41 h PHE 106 N 4.11 0.00 0.00 3.44 0.04 -1.94 -3.47 116.94 119.12 1i41 h PHE 106 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1i41 h PHE 106 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1i41 h PHE 106 CO 0.34 0.04 0.00 -1.91 -0.60 0.00 0.00 178.31 176.18 1i41 n GLU 107 N -3.12 0.00 -4.24 1.51 2.13 -1.26 -4.46 120.64 111.20 1i41 n GLU 107 Ca 0.03 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.60 1i41 n GLU 107 Cb 0.47 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.10 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 2.78 0.28 4.31 5.04 -1.26 -0.94 117.35 127.56 1i41 s TYR 108 Ca 0.00 -0.18 0.18 0.00 -2.44 0.00 0.00 57.07 54.63 1i41 s TYR 108 Cb 0.00 -1.30 0.81 0.00 0.35 0.00 0.00 41.96 41.81 1i41 s TYR 108 CO 0.00 0.55 1.81 0.78 -1.34 0.00 0.00 175.55 177.36 1i41 h GLY 109 N 2.37 0.00 1.89 8.97 0.00 -1.62 -2.56 103.07 112.13 1i41 h GLY 109 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1i41 h GLY 109 CO 0.58 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.99 1i41 n ARG 110 N -3.75 0.07 -0.01 4.80 0.63 -1.26 -2.81 116.66 114.34 1i41 n ARG 110 Ca -0.01 0.15 0.09 0.00 -0.92 0.00 0.00 57.85 57.16 1i41 n ARG 110 Cb 0.44 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.72 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 -1.45 0.00 0.00 -0.14 4.01 -0.97 -4.73 117.16 113.88 1i41 n TYR 111 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1i41 n TYR 111 Cb 0.21 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 1.47 0.97 3.64 2.72 0.00 -1.12 -5.00 105.19 107.87 1i41 n GLY 112 Ca -0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.82 0.28 1.61 3.84 -1.26 -4.41 114.94 114.18 1i41 s ASN 113 Ca 0.00 1.32 0.02 0.00 0.21 0.00 0.00 52.86 54.41 1i41 s ASN 113 Cb 0.00 1.34 0.60 0.00 -0.55 0.00 0.00 41.25 42.63 1i41 s ASN 113 CO 0.00 -0.21 1.80 1.55 -2.79 0.00 0.00 177.10 177.45 1i41 h PRO 114 N 6.63 0.82 0.00 0.43 0.13 -1.96 0.47 132.00 138.52 1i41 h PRO 114 Ca -0.29 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1i41 h PRO 114 Cb 1.22 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1i41 h PRO 114 CO 0.16 0.54 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 1i41 h THR 115 N 0.84 0.00 0.00 1.56 1.03 -1.88 -3.29 112.91 111.17 1i41 h THR 115 Ca 0.51 -0.49 -0.14 0.00 -0.01 0.00 0.00 66.41 66.29 1i41 h THR 115 Cb 0.64 1.42 -0.02 0.00 -1.07 0.00 0.00 68.15 69.12 1i41 h THR 115 CO -0.32 0.00 -1.00 0.41 -0.01 0.00 0.00 175.52 174.60 1i41 n THR 116 N -2.85 1.48 -0.52 0.00 -1.04 0.04 -4.26 114.28 107.13 1i41 n THR 116 Ca 0.01 0.07 0.43 0.00 -2.04 0.00 0.00 64.05 62.52 1i41 n THR 116 Cb 0.31 -2.20 0.71 0.00 -1.82 0.00 0.00 70.33 67.34 1i41 n THR 116 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1i41 h VAL 117 N -1.00 0.01 0.33 12.58 -1.51 -1.31 1.36 116.25 126.72 1i41 h VAL 117 Ca -0.21 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1i41 h VAL 117 Cb 0.97 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 1i41 h VAL 117 CO -0.13 0.00 -0.33 0.58 -1.23 0.00 0.00 177.57 176.47 1i41 h VAL 118 N 0.00 0.32 -0.38 7.19 2.07 -1.74 0.21 116.25 123.93 1i41 h VAL 118 Ca 0.90 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.47 1i41 h VAL 118 Cb 3.03 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1i41 h VAL 118 CO -0.38 0.00 0.26 0.25 0.02 0.00 0.00 177.57 177.72 1i41 h LEU 119 N -0.69 0.23 0.48 2.57 5.85 0.16 0.05 115.31 123.96 1i41 h LEU 119 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1i41 h LEU 119 Cb 0.62 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1i41 h LEU 119 CO -0.06 0.15 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.63 1i41 h GLU 120 N 0.27 -0.62 -0.74 1.25 5.08 0.09 -2.41 114.58 117.49 1i41 h GLU 120 Ca 0.17 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1i41 h GLU 120 Cb 0.33 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1i41 h GLU 120 CO -0.03 -0.34 0.42 0.93 -1.00 0.00 0.00 179.01 178.99 1i41 h GLU 121 N -0.84 1.01 0.43 2.33 5.08 -0.14 -1.41 114.58 121.04 1i41 h GLU 121 Ca -0.07 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1i41 h GLU 121 Cb 0.58 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1i41 h GLU 121 CO 0.11 0.73 -0.43 -0.22 -1.00 0.00 0.00 179.01 178.19 1i41 h LYS 122 N 1.02 -0.83 -0.84 2.33 3.64 -0.93 0.13 116.57 121.10 1i41 h LYS 122 Ca 0.26 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.76 1i41 h LYS 122 Cb -0.00 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1i41 h LYS 122 CO -0.05 -0.55 0.52 0.82 -2.27 0.00 0.00 179.45 177.92 1i41 h ILE 123 N -0.86 1.05 -0.04 2.00 2.04 -1.36 -1.25 117.51 119.09 1i41 h ILE 123 Ca -0.05 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1i41 h ILE 123 Cb 0.75 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1i41 h ILE 123 CO -0.05 0.18 -0.49 0.28 0.00 0.00 0.00 178.15 178.06 1i41 h SER 124 N 0.96 -1.52 -0.70 1.72 0.02 -0.80 0.40 113.55 113.64 1i41 h SER 124 Ca 0.36 0.17 0.14 0.00 -0.84 0.00 0.00 61.79 61.63 1i41 h SER 124 Cb 0.14 0.58 -0.13 0.00 0.14 0.00 0.00 62.40 63.14 1i41 h SER 124 CO -0.16 -0.46 -0.15 0.00 -1.14 0.00 0.00 176.83 174.92 1i41 h ALA 125 N -0.49 0.50 0.14 3.77 0.00 0.04 0.38 119.26 123.59 1i41 h ALA 125 Ca 0.02 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1i41 h ALA 125 Cb 0.64 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1i41 h ALA 125 CO -0.35 -0.42 -0.22 -0.07 0.00 0.00 0.00 179.25 178.19 1i41 h LEU 126 N 0.01 -0.64 0.00 0.00 3.38 0.07 -0.84 115.31 117.29 1i41 h LEU 126 Ca 0.34 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1i41 h LEU 126 Cb 0.54 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1i41 h LEU 126 CO -0.71 -0.26 0.00 -0.62 0.09 0.00 0.00 178.44 176.94 1i41 n GLU 127 N -3.69 0.24 -3.21 1.13 -0.58 -0.05 -4.83 120.64 109.64 1i41 n GLU 127 Ca -0.04 0.12 -0.20 0.00 -0.42 0.00 0.00 57.16 56.62 1i41 n GLU 127 Cb 0.19 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.61 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 -0.26 -0.31 4.00 0.62 0.00 0.12 -4.72 105.19 104.64 1i41 n GLY 128 Ca 0.07 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.19 3.75 -0.04 4.61 0.00 -0.37 -4.99 121.76 121.53 1i41 s ALA 129 Ca 0.40 -1.81 0.10 0.00 0.00 0.00 0.00 51.96 50.66 1i41 s ALA 129 Cb -0.18 -1.96 -0.23 0.00 0.00 0.00 0.00 23.12 20.75 1i41 s ALA 129 CO 0.50 -1.50 0.69 1.49 0.00 0.00 0.00 175.76 176.94 1i41 h GLU 130 N -0.54 0.03 -1.86 0.00 4.81 -1.81 -3.43 114.58 111.77 1i41 h GLU 130 Ca -0.35 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 58.93 1i41 h GLU 130 Cb 1.26 0.02 -0.19 0.00 0.63 0.00 0.00 28.75 30.47 1i41 h GLU 130 CO 0.39 0.59 0.52 0.45 -0.73 0.00 0.00 179.01 180.24 1i41 s SER 131 N -6.22 -0.37 0.06 1.04 0.15 -0.87 -4.80 113.70 102.69 1i41 s SER 131 Ca -0.06 0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.86 1i41 s SER 131 Cb 0.08 0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1i41 s SER 131 CO 0.82 -0.46 -0.11 -0.89 1.20 0.00 0.00 173.24 173.80 1i41 s THR 132 N -1.99 0.86 0.22 6.45 2.01 -1.26 -1.54 115.64 120.38 1i41 s THR 132 Ca 0.01 -1.24 0.11 0.00 0.31 0.00 0.00 61.69 60.88 1i41 s THR 132 Cb -0.01 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1i41 s THR 132 CO -0.03 -0.32 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.19 1i41 s LEU 133 N -1.74 2.66 -0.13 4.42 2.96 0.25 -4.87 118.68 122.23 1i41 s LEU 133 Ca -0.05 -0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 53.02 1i41 s LEU 133 Cb -0.09 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.33 1i41 s LEU 133 CO 0.01 0.09 0.01 -0.76 -1.32 0.00 0.00 176.35 174.38 1i41 s LEU 134 N -2.99 0.90 0.00 -0.68 1.43 -1.26 -1.51 118.68 114.56 1i41 s LEU 134 Ca 0.25 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1i41 s LEU 134 Cb -0.07 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.65 1i41 s LEU 134 CO 0.13 -0.24 0.28 0.23 0.23 0.00 0.00 176.35 176.98 1i41 n MET 135 N 5.09 0.47 0.18 1.70 2.81 -0.93 -4.31 117.12 122.13 1i41 n MET 135 Ca -0.08 -0.81 0.12 0.00 -1.81 0.00 0.00 57.70 55.11 1i41 n MET 135 Cb 0.49 -0.18 0.12 0.00 -0.71 0.00 0.00 33.22 32.94 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 -0.37 0.85 -1.66 3.04 0.00 -1.33 -2.85 119.26 116.93 1i41 h ALA 136 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 136 Cb 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.93 1i41 h ALA 136 CO 0.11 0.00 0.49 -1.54 0.00 0.00 0.00 179.25 178.30 1i41 s SER 137 N -5.92 -0.42 0.19 0.00 1.04 -1.26 -3.28 113.70 104.05 1i41 s SER 137 Ca 0.05 0.44 -0.24 0.00 0.48 0.00 0.00 55.95 56.67 1i41 s SER 137 Cb 0.07 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.61 1i41 s SER 137 CO 0.71 -0.40 1.55 1.23 0.98 0.00 0.00 173.24 177.31 1i41 h GLY 138 N 2.61 -0.37 -0.31 7.32 0.00 -1.83 0.35 103.07 110.85 1i41 h GLY 138 Ca -0.20 0.61 0.21 0.00 0.00 0.00 0.00 47.33 47.96 1i41 h GLY 138 CO 0.32 -0.12 0.25 -0.33 0.00 0.00 0.00 176.54 176.66 1i41 h MET 139 N -0.09 0.25 -0.10 4.80 2.86 -1.93 0.12 114.93 120.84 1i41 h MET 139 Ca 0.23 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 1i41 h MET 139 Cb 0.54 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1i41 h MET 139 CO -0.86 0.17 -0.31 0.00 1.06 0.00 0.00 176.91 176.96 1i41 n ALA 141 N -2.81 -0.07 -0.36 0.00 0.00 0.39 0.65 120.51 118.31 1i41 n ALA 141 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1i41 n ALA 141 Cb 0.32 0.23 0.12 0.00 0.00 0.00 0.00 19.45 20.12 1i41 n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1i41 h SER 142 N 0.00 -1.01 0.02 0.00 4.64 -1.46 0.29 113.55 116.03 1i41 h SER 142 Ca 0.00 0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1i41 h SER 142 Cb 0.00 0.64 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1i41 h SER 142 CO 0.00 -0.32 -0.21 0.74 -0.87 0.00 0.00 176.83 176.17 1i41 h THR 143 N -0.00 0.00 0.11 2.95 2.02 -0.49 0.16 112.91 117.65 1i41 h THR 143 Ca 0.45 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.64 1i41 h THR 143 Cb 0.69 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1i41 h THR 143 CO -1.00 0.00 -0.51 0.58 0.37 0.00 0.00 175.52 174.95 1i41 h VAL 144 N -0.28 0.00 -0.92 3.16 2.07 0.22 -1.96 116.25 118.54 1i41 h VAL 144 Ca 0.00 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.78 1i41 h VAL 144 Cb 0.29 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.90 1i41 h VAL 144 CO -0.13 0.00 0.11 -0.03 0.02 0.00 0.00 177.57 177.54 1i41 h MET 145 N -0.72 0.07 0.35 1.57 -1.53 -0.37 0.38 114.93 114.68 1i41 h MET 145 Ca -0.00 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1i41 h MET 145 Cb 0.73 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.77 1i41 h MET 145 CO -0.28 0.05 -0.17 -0.07 0.14 0.00 0.00 176.91 176.58 1i41 h LEU 146 N 0.08 -0.40 -2.78 3.39 3.38 -0.44 -1.01 115.31 117.53 1i41 h LEU 146 Ca 0.57 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1i41 h LEU 146 Cb 1.18 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1i41 h LEU 146 CO -0.80 -0.12 0.03 -0.07 0.09 0.00 0.00 178.44 177.57 1i41 h LEU 147 N -0.68 0.00 0.17 1.67 3.38 -0.28 -1.57 115.31 117.99 1i41 h LEU 147 Ca -0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 1i41 h LEU 147 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1i41 h LEU 147 CO 0.08 0.00 -1.81 0.00 0.09 0.00 0.00 178.44 176.80 1i41 h ALA 148 N 1.94 0.23 0.02 1.53 0.00 0.07 -3.42 119.26 119.63 1i41 h ALA 148 Ca 0.00 -1.21 -0.37 0.00 0.00 0.00 0.00 54.91 53.34 1i41 h ALA 148 Cb 0.07 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1i41 h ALA 148 CO -0.00 1.09 -2.28 1.28 0.00 0.00 0.00 179.25 179.35 1i41 n LEU 149 N -3.58 1.54 -4.61 0.00 4.77 -0.42 -4.88 117.00 109.82 1i41 n LEU 149 Ca -0.27 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.32 1i41 n LEU 149 Cb 1.06 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1i41 n LEU 149 CO 0.49 0.69 1.06 -0.69 -1.33 0.00 0.00 177.39 177.61 1i41 s VAL 150 N -2.52 4.21 1.01 4.08 1.01 -0.61 -5.02 120.40 122.55 1i41 s VAL 150 Ca -0.20 1.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1i41 s VAL 150 Cb 0.07 -4.47 0.19 0.00 0.00 0.00 0.00 36.38 32.18 1i41 s VAL 150 CO 0.74 -0.82 1.08 -2.84 0.00 0.00 0.00 175.10 173.26 1i41 s PRO 151 N 4.35 0.36 0.28 2.72 0.02 -1.26 -4.83 135.00 136.64 1i41 s PRO 151 Ca 0.50 0.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.11 1i41 s PRO 151 Cb -0.10 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 1i41 s PRO 151 CO 0.28 -2.88 1.46 0.00 -0.33 0.00 0.00 177.00 175.53 1i41 s ALA 152 N -2.74 3.63 0.00 -1.55 0.00 -1.26 -1.59 121.76 118.25 1i41 s ALA 152 Ca 0.66 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.02 1i41 s ALA 152 Cb -0.21 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1i41 s ALA 152 CO 0.60 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1i41 n GLY 153 N 1.80 2.29 3.55 0.00 0.00 0.62 -4.95 105.19 108.49 1i41 n GLY 153 Ca 0.05 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 1.59 0.13 -0.02 0.00 -0.62 -4.49 107.32 101.91 1i41 s GLY 154 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 44.72 44.89 1i41 s GLY 154 CO 0.00 0.70 -0.19 -1.58 0.00 0.00 0.00 173.10 172.04 1i41 s HIS 155 N -2.53 2.50 0.05 1.90 5.65 -1.26 -1.30 115.29 120.29 1i41 s HIS 155 Ca 0.68 -0.28 0.01 0.00 0.25 0.00 0.00 55.06 55.72 1i41 s HIS 155 Cb -0.24 -1.31 -0.03 0.00 -1.18 0.00 0.00 32.58 29.82 1i41 s HIS 155 CO 0.62 0.40 -0.05 -1.50 -0.65 0.00 0.00 174.74 173.56 1i41 s ILE 156 N -1.22 0.39 -0.12 0.89 2.07 0.36 -1.39 121.20 122.17 1i41 s ILE 156 Ca 0.18 -1.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.17 1i41 s ILE 156 Cb -0.10 -0.81 0.01 0.00 0.13 0.00 0.00 42.46 41.70 1i41 s ILE 156 CO 0.10 -0.59 -0.16 -0.69 -1.91 0.00 0.00 174.94 171.69 1i41 s VAL 157 N -2.13 1.61 0.34 4.00 1.01 -0.86 -0.46 120.40 123.90 1i41 s VAL 157 Ca -0.06 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1i41 s VAL 157 Cb -0.05 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1i41 s VAL 157 CO -0.02 0.46 0.14 0.42 0.00 0.00 0.00 175.10 176.10 1i41 s THR 158 N 1.02 0.49 0.72 3.92 -4.23 -0.56 0.02 115.64 117.01 1i41 s THR 158 Ca -0.05 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1i41 s THR 158 Cb -0.15 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.31 1i41 s THR 158 CO -0.03 0.00 0.99 0.42 -0.54 0.00 0.00 174.62 175.46 1i41 s THR 159 N -3.46 2.20 0.04 3.99 -4.23 -1.24 -1.49 115.64 111.44 1i41 s THR 159 Ca 0.33 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1i41 s THR 159 Cb 0.05 -2.65 -0.24 0.00 1.34 0.00 0.00 72.50 70.99 1i41 s THR 159 CO 0.17 0.00 0.97 0.71 -0.54 0.00 0.00 174.62 175.93 1i41 h THR 160 N -0.53 1.30 -0.66 3.99 1.35 -1.24 -3.36 112.91 113.76 1i41 h THR 160 Ca -0.38 -3.01 -0.37 0.00 -0.55 0.00 0.00 66.41 62.10 1i41 h THR 160 Cb 1.27 2.72 -0.14 0.00 -1.73 0.00 0.00 68.15 70.27 1i41 h THR 160 CO 0.43 0.80 0.15 0.47 -0.25 0.00 0.00 175.52 177.12 1i41 n ASP 161 N -3.32 6.07 -4.83 5.36 9.92 -1.26 -4.94 116.55 123.55 1i41 n ASP 161 Ca -0.10 -2.95 -0.30 0.00 -0.53 0.00 0.00 54.79 50.91 1i41 n ASP 161 Cb 1.01 -1.27 0.09 0.00 -0.64 0.00 0.00 41.12 40.31 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 -3.25 3.64 0.00 0.00 5.04 -1.26 -4.84 117.35 116.68 1i41 s TYR 163 Ca 0.61 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.82 1i41 s TYR 163 Cb -0.13 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.15 1i41 s TYR 163 CO 0.53 0.02 0.00 -2.13 -1.34 0.00 0.00 175.55 172.63 1i41 n ARG 164 N 3.83 0.00 -0.17 4.97 3.00 -1.26 -0.30 116.66 126.74 1i41 n ARG 164 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.86 1i41 n ARG 164 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 32.46 33.01 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 -0.00 -0.98 -0.14 6.56 -1.97 0.13 116.57 120.17 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 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.60 1i41 h LYS 165 CO 0.00 -0.00 0.66 1.15 -2.06 0.00 0.00 179.45 179.20 1i41 h THR 166 N -0.00 0.56 0.62 -0.16 2.02 -1.05 -1.05 112.91 113.86 1i41 h THR 166 Ca 0.25 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1i41 h THR 166 Cb 0.38 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1i41 h THR 166 CO -0.53 0.04 -0.30 -0.09 0.37 0.00 0.00 175.52 175.01 1i41 h ARG 167 N 0.24 -0.80 -0.71 6.66 9.65 0.41 -3.12 114.38 126.71 1i41 h ARG 167 Ca 0.51 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.58 1i41 h ARG 167 Cb 1.55 0.18 -0.13 0.00 -1.39 0.00 0.00 29.97 30.18 1i41 h ARG 167 CO -0.14 -0.51 -0.17 0.82 2.80 0.00 0.00 179.97 182.76 1i41 h ILE 168 N -1.18 0.29 0.05 1.20 2.04 -0.86 0.87 117.51 119.92 1i41 h ILE 168 Ca -0.09 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1i41 h ILE 168 Cb 0.66 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1i41 h ILE 168 CO 0.14 0.00 -0.46 0.15 0.00 0.00 0.00 178.15 177.98 1i41 h PHE 169 N 0.00 -1.32 -0.65 1.37 3.57 -1.43 0.60 116.94 119.09 1i41 h PHE 169 Ca 0.34 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.97 1i41 h PHE 169 Cb 0.52 0.57 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 1i41 h PHE 169 CO -0.56 -0.54 0.43 0.82 -2.23 0.00 0.00 178.31 176.23 1i41 h ILE 170 N -0.64 0.93 0.00 1.41 2.04 -1.17 0.22 117.51 120.29 1i41 h ILE 170 Ca 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1i41 h ILE 170 Cb 0.69 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1i41 h ILE 170 CO -0.31 0.09 -0.77 -0.33 0.00 0.00 0.00 178.15 176.84 1i41 h GLU 171 N 0.52 0.00 0.00 2.37 5.08 0.25 -3.38 114.58 119.42 1i41 h GLU 171 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1i41 h GLU 171 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1i41 h GLU 171 CO -0.09 0.00 -0.94 0.25 -1.00 0.00 0.00 179.01 177.23 1i41 n THR 172 N -2.24 0.00 -0.05 1.13 -2.24 0.20 -4.74 114.28 106.34 1i41 n THR 172 Ca 0.02 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.77 1i41 n THR 172 Cb 0.47 -0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 67.86 1i41 n THR 172 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i41 n ILE 173 N -2.03 0.96 -0.33 2.28 2.08 0.74 -4.43 119.36 118.63 1i41 n ILE 173 Ca 0.00 0.30 0.24 0.00 0.56 0.00 0.00 62.75 63.86 1i41 n ILE 173 Cb 0.47 -2.10 0.47 0.00 -0.75 0.00 0.00 39.64 37.73 1i41 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1i41 h LEU 174 N -0.68 0.26 -2.34 1.39 3.38 -1.69 0.77 115.31 116.42 1i41 h LEU 174 Ca 0.00 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1i41 h LEU 174 Cb 0.39 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1i41 h LEU 174 CO 0.00 -0.28 0.20 1.55 0.09 0.00 0.00 178.44 180.00 1i41 h PRO 175 N 0.15 0.00 0.00 1.13 0.13 -1.73 0.27 132.00 131.96 1i41 h PRO 175 Ca 0.74 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.84 1i41 h PRO 175 Cb 1.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.89 1i41 h PRO 175 CO -0.71 0.00 -0.13 0.87 -0.23 0.00 0.00 178.00 177.80 1i41 h LYS 176 N 0.00 0.00 -0.59 0.86 1.57 0.37 -0.30 116.57 118.48 1i41 h LYS 176 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1i41 h LYS 176 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1i41 h LYS 176 CO -0.00 0.13 0.00 -1.33 -0.57 0.00 0.00 179.45 177.68 1i41 n MET 177 N -3.49 4.36 -1.62 3.15 2.81 0.92 -4.90 117.12 118.35 1i41 n MET 177 Ca -0.01 -3.05 -0.17 0.00 -1.81 0.00 0.00 57.70 52.67 1i41 n MET 177 Cb 0.29 -2.10 -0.06 0.00 -0.71 0.00 0.00 33.22 30.64 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 0.77 1.35 3.52 3.03 0.00 -0.12 -0.28 105.19 113.46 1i41 n GLY 178 Ca 0.27 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.66 4.59 0.21 -0.61 1.01 -0.95 -3.30 121.20 119.49 1i41 s ILE 179 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 1i41 s ILE 179 Cb 0.00 -4.39 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 1i41 s ILE 179 CO 0.00 -0.86 0.53 0.28 0.00 0.00 0.00 174.94 174.90 1i41 s THR 180 N 3.44 4.94 0.11 2.92 -1.32 -0.42 -3.78 115.64 121.53 1i41 s THR 180 Ca 0.28 0.49 0.05 0.00 -1.21 0.00 0.00 61.69 61.30 1i41 s THR 180 Cb -0.13 -3.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.19 1i41 s THR 180 CO 0.20 -0.01 -0.12 0.00 -2.21 0.00 0.00 174.62 172.49 1i41 s ALA 181 N -1.75 1.28 -0.12 11.08 0.00 -1.26 -0.49 121.76 130.50 1i41 s ALA 181 Ca 0.45 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1i41 s ALA 181 Cb -0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1i41 s ALA 181 CO 0.21 0.01 -0.21 0.99 0.00 0.00 0.00 175.76 176.77 1i41 s THR 182 N -2.36 2.30 -0.33 0.00 2.01 0.39 -4.93 115.64 112.72 1i41 s THR 182 Ca 0.07 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 1i41 s THR 182 Cb -0.03 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.58 1i41 s THR 182 CO 0.01 0.55 0.14 -0.69 -0.69 0.00 0.00 174.62 173.94 1i41 s VAL 183 N 0.51 4.24 0.34 3.82 1.01 -1.26 -1.50 120.40 127.57 1i41 s VAL 183 Ca -0.13 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1i41 s VAL 183 Cb -0.17 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1i41 s VAL 183 CO 0.05 -0.09 0.06 0.27 0.00 0.00 0.00 175.10 175.38 1i41 s ILE 184 N 1.52 2.72 0.24 2.22 -4.36 -0.56 -4.85 121.20 118.13 1i41 s ILE 184 Ca 0.02 -1.88 -0.27 0.00 -0.26 0.00 0.00 60.65 58.26 1i41 s ILE 184 Cb -0.18 -2.86 -0.09 0.00 1.25 0.00 0.00 42.46 40.58 1i41 s ILE 184 CO 0.05 -0.18 0.89 -0.62 0.24 0.00 0.00 174.94 175.31 1i41 s ASP 185 N -3.76 7.45 0.24 4.36 2.15 -1.26 -0.69 116.67 125.16 1i41 s ASP 185 Ca 0.36 1.80 -0.15 0.00 0.43 0.00 0.00 52.55 54.99 1i41 s ASP 185 Cb -0.00 -2.56 0.28 0.00 -0.30 0.00 0.00 42.92 40.34 1i41 s ASP 185 CO 0.20 0.10 1.56 -0.65 -0.17 0.00 0.00 175.17 176.21 1i41 h PRO 186 N 3.85 -0.02 0.12 4.34 0.11 -1.95 -2.42 132.00 136.03 1i41 h PRO 186 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1i41 h PRO 186 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i41 h PRO 186 CO 0.66 -0.01 -0.06 0.00 -0.21 0.00 0.00 178.00 178.38 1i41 h ALA 187 N 1.50 -0.16 -0.03 -0.75 0.00 -1.93 -3.43 119.26 114.46 1i41 h ALA 187 Ca 0.36 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1i41 h ALA 187 Cb 0.62 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1i41 h ALA 187 CO -0.94 -0.34 1.38 -3.47 0.00 0.00 0.00 179.25 175.88 1i41 n ASP 188 N -4.94 -1.20 0.10 0.00 -0.08 -0.91 -4.66 116.55 104.86 1i41 n ASP 188 Ca -0.08 -1.04 -0.05 0.00 -1.51 0.00 0.00 54.79 52.10 1i41 n ASP 188 Cb 0.26 -0.73 0.05 0.00 2.34 0.00 0.00 41.12 43.04 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 7.04 1.52 0.30 5.18 2.07 -1.83 -3.24 116.25 127.29 1i41 h VAL 189 Ca 0.02 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1i41 h VAL 189 Cb 1.07 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1i41 h VAL 189 CO 1.32 0.74 -0.34 1.23 0.02 0.00 0.00 177.57 180.54 1i41 h GLY 190 N 2.07 -0.76 -0.30 2.17 0.00 -1.97 0.04 103.07 104.32 1i41 h GLY 190 Ca -0.02 0.39 0.15 0.00 0.00 0.00 0.00 47.33 47.85 1i41 h GLY 190 CO 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 176.54 176.30 1i41 h ALA 191 N -0.16 0.61 0.42 3.60 0.00 -1.95 0.64 119.26 122.43 1i41 h ALA 191 Ca -0.01 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1i41 h ALA 191 Cb 0.63 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1i41 h ALA 191 CO -0.09 -0.42 -0.35 1.25 0.00 0.00 0.00 179.25 179.64 1i41 h LEU 192 N 0.06 -0.93 -1.89 0.00 5.85 -1.45 0.22 115.31 117.17 1i41 h LEU 192 Ca 0.36 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.26 1i41 h LEU 192 Cb 0.60 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1i41 h LEU 192 CO -0.65 -0.51 0.31 -0.08 -0.34 0.00 0.00 178.44 177.17 1i41 h GLU 193 N -0.78 0.12 0.32 1.25 4.81 0.73 0.13 114.58 121.16 1i41 h GLU 193 Ca -0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1i41 h GLU 193 Cb 0.68 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1i41 h GLU 193 CO -0.02 0.08 -0.15 1.25 -0.73 0.00 0.00 179.01 179.43 1i41 h LEU 194 N 0.12 -0.37 -1.44 1.64 5.85 0.11 -3.18 115.31 118.05 1i41 h LEU 194 Ca 0.21 0.01 0.32 0.00 0.84 0.00 0.00 57.88 59.26 1i41 h LEU 194 Cb 0.68 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 1i41 h LEU 194 CO -0.02 -0.10 0.74 0.00 -0.34 0.00 0.00 178.44 178.72 1i41 h ALA 195 N -1.47 2.45 -0.75 1.25 0.00 -0.17 0.60 119.26 121.17 1i41 h ALA 195 Ca -0.04 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1i41 h ALA 195 Cb 0.33 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1i41 h ALA 195 CO 0.07 -0.91 0.49 -0.07 0.00 0.00 0.00 179.25 178.83 1i41 h LEU 196 N 0.27 0.68 0.09 0.00 -0.00 -0.75 -2.60 115.31 113.01 1i41 h LEU 196 Ca 0.65 0.01 -0.35 0.00 -0.00 0.00 0.00 57.88 58.19 1i41 h LEU 196 Cb 1.87 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 42.36 1i41 h LEU 196 CO -0.30 0.43 -1.97 0.59 -0.00 0.00 0.00 178.44 177.19 1i41 n ASN 197 N -4.49 1.85 0.16 -0.43 3.02 0.19 -4.55 115.26 111.02 1i41 n ASN 197 Ca 0.11 0.23 -0.08 0.00 -0.03 0.00 0.00 54.58 54.81 1i41 n ASN 197 Cb 0.24 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.05 -0.46 0.00 3.52 4.20 -1.00 -3.45 115.11 117.98 1i41 h GLN 198 Ca -0.41 0.03 -0.43 0.00 0.06 0.00 0.00 58.65 57.91 1i41 h GLN 198 Cb 2.03 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.92 1i41 h GLN 198 CO 0.08 -0.31 -0.11 1.63 -0.67 0.00 0.00 178.83 179.45 1i41 n LYS 199 N -3.57 0.72 -3.49 1.46 4.01 -0.99 -5.07 118.16 111.23 1i41 n LYS 199 Ca -0.06 -2.67 -0.42 0.00 -0.51 0.00 0.00 58.31 54.65 1i41 n LYS 199 Cb 0.20 -0.04 -0.05 0.00 -0.51 0.00 0.00 35.03 34.64 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 -4.08 3.27 0.15 1.97 2.36 -1.26 -4.68 119.74 117.46 1i41 s LYS 200 Ca 0.43 -2.62 -0.31 0.00 -2.55 0.00 0.00 55.97 50.92 1i41 s LYS 200 Cb -0.03 -4.16 -0.08 0.00 -1.05 0.00 0.00 37.83 32.50 1i41 s LYS 200 CO 0.27 -1.24 1.38 0.08 1.55 0.00 0.00 175.35 177.39 1i41 s VAL 201 N -0.16 3.20 -0.11 4.02 1.01 -1.26 -4.22 120.40 122.87 1i41 s VAL 201 Ca 0.19 0.90 0.03 0.00 0.00 0.00 0.00 61.98 63.11 1i41 s VAL 201 Cb -0.13 -3.58 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 1i41 s VAL 201 CO -0.07 0.09 0.39 0.59 0.00 0.00 0.00 175.10 176.10 1i41 n ASN 202 N 3.50 1.47 -3.63 3.32 4.13 -0.49 -4.10 115.26 119.46 1i41 n ASN 202 Ca 0.10 0.23 -0.11 0.00 1.68 0.00 0.00 54.58 56.48 1i41 n ASN 202 Cb 0.42 -0.37 -0.07 0.00 -1.54 0.00 0.00 39.78 38.22 1i41 n ASN 202 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1i41 s LEU 203 N -6.51 -0.68 -0.16 3.41 0.20 -1.25 -2.11 118.68 111.58 1i41 s LEU 203 Ca -0.16 1.27 -0.07 0.00 0.69 0.00 0.00 54.13 55.86 1i41 s LEU 203 Cb 0.07 2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 48.06 1i41 s LEU 203 CO 0.78 -0.22 0.08 0.12 -0.29 0.00 0.00 176.35 176.83 1i41 s PHE 204 N 0.54 3.34 -0.01 5.38 5.36 0.38 -2.03 117.98 130.95 1i41 s PHE 204 Ca -0.01 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 1i41 s PHE 204 Cb -0.05 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 1i41 s PHE 204 CO -0.04 0.34 -0.00 0.12 -1.46 0.00 0.00 175.22 174.17 1i41 s PHE 205 N -0.07 0.08 0.07 10.12 5.36 0.10 -0.84 117.98 132.80 1i41 s PHE 205 Ca 0.08 0.01 -0.28 0.00 -0.96 0.00 0.00 56.93 55.78 1i41 s PHE 205 Cb -0.12 -0.10 0.09 0.00 -0.34 0.00 0.00 43.02 42.55 1i41 s PHE 205 CO 0.01 -0.02 1.07 -0.08 -1.46 0.00 0.00 175.22 174.73 1i41 s THR 206 N 0.20 0.00 0.02 0.12 -1.32 -0.62 -3.71 115.64 110.33 1i41 s THR 206 Ca -0.02 -0.42 0.03 0.00 -1.21 0.00 0.00 61.69 60.07 1i41 s THR 206 Cb -0.03 -1.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.09 1i41 s THR 206 CO -0.01 0.00 -0.05 -1.83 -2.21 0.00 0.00 174.62 170.52 1i41 s GLU 207 N -2.96 2.55 -0.23 7.08 -1.05 -1.26 -0.04 118.70 122.80 1i41 s GLU 207 Ca 0.12 -0.74 -0.05 0.00 -0.15 0.00 0.00 54.97 54.15 1i41 s GLU 207 Cb 0.01 -2.52 0.12 0.00 -0.44 0.00 0.00 34.13 31.30 1i41 s GLU 207 CO -0.01 0.59 0.43 0.45 0.95 0.00 0.00 175.26 177.67 1i41 s SER 208 N -1.59 -0.20 1.12 0.83 0.15 -1.15 -3.81 113.70 109.05 1i41 s SER 208 Ca 0.19 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.44 1i41 s SER 208 Cb -0.11 1.37 0.25 0.00 -1.71 0.00 0.00 66.02 65.82 1i41 s SER 208 CO 0.09 -0.26 0.96 -2.65 1.20 0.00 0.00 173.24 172.59 1i41 n PRO 209 N 5.39 -2.01 -2.86 5.44 -0.02 -1.26 -4.45 135.00 135.23 1i41 n PRO 209 Ca -0.06 -0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 60.67 1i41 n PRO 209 Cb 0.50 -2.17 0.03 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.44 2.70 -0.10 3.45 -1.32 0.13 -4.72 115.64 113.35 1i41 s THR 210 Ca 0.67 -0.86 0.04 0.00 -1.21 0.00 0.00 61.69 60.33 1i41 s THR 210 Cb -0.24 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 1i41 s THR 210 CO 0.64 0.00 -0.23 0.21 -2.21 0.00 0.00 174.62 173.03 1i41 s ASN 211 N -4.45 2.97 0.00 8.08 3.04 -1.23 -0.94 114.94 122.40 1i41 s ASN 211 Ca 0.58 -0.54 0.20 0.00 0.04 0.00 0.00 52.86 53.14 1i41 s ASN 211 Cb -0.09 -1.35 0.33 0.00 -1.54 0.00 0.00 41.25 38.59 1i41 s ASN 211 CO 0.37 0.15 1.27 -0.81 -3.04 0.00 0.00 177.10 175.04 1i41 n PRO 212 N 3.54 2.20 -0.13 0.43 -0.04 -1.26 -4.54 135.00 135.20 1i41 n PRO 212 Ca -0.19 -2.03 0.02 0.00 -0.04 0.00 0.00 63.50 61.26 1i41 n PRO 212 Cb 0.53 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.21 0.31 -4.18 0.54 3.72 -1.26 -4.60 117.46 113.20 1i41 n PHE 213 Ca 0.16 -0.13 -0.36 0.00 -0.05 0.00 0.00 57.45 57.07 1i41 n PHE 213 Cb 0.53 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.04 -0.76 -4.76 4.37 4.77 -0.12 -4.75 117.00 115.79 1i41 n LEU 214 Ca 0.06 -1.11 -0.32 0.00 -0.03 0.00 0.00 56.01 54.61 1i41 n LEU 214 Cb 0.26 -1.41 0.08 0.00 -2.33 0.00 0.00 43.42 40.02 1i41 n LEU 214 CO 0.05 0.16 0.72 -0.13 -1.33 0.00 0.00 177.39 176.86 1i41 s ARG 215 N -6.61 2.31 0.09 3.23 1.81 -1.26 -4.26 118.95 114.26 1i41 s ARG 215 Ca 0.58 1.30 0.06 0.00 -1.72 0.00 0.00 55.73 55.95 1i41 s ARG 215 Cb -0.34 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.24 1i41 s ARG 215 CO 0.91 -1.62 -0.16 0.00 -0.68 0.00 0.00 175.30 173.75 1i41 s VAL 217 N -1.36 2.94 -1.13 0.00 1.01 -1.26 -4.64 120.40 115.97 1i41 s VAL 217 Ca 0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1i41 s VAL 217 Cb -0.09 -2.23 -0.18 0.00 0.00 0.00 0.00 36.38 33.88 1i41 s VAL 217 CO 0.03 0.53 2.04 -0.67 0.00 0.00 0.00 175.10 177.03 1i41 n ASP 218 N 3.53 2.04 -0.32 3.32 -0.08 -1.26 -4.76 116.55 119.03 1i41 n ASP 218 Ca -0.18 -2.58 -0.09 0.00 -1.51 0.00 0.00 54.79 50.43 1i41 n ASP 218 Cb 0.53 -1.73 -0.06 0.00 2.34 0.00 0.00 41.12 42.19 1i41 n ASP 218 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1i41 h ILE 219 N 6.46 0.02 -0.55 5.18 2.04 -1.95 -0.79 117.51 127.92 1i41 h ILE 219 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 1i41 h ILE 219 Cb 0.97 0.02 -0.11 0.00 -0.74 0.00 0.00 36.82 36.97 1i41 h ILE 219 CO 1.10 0.00 -0.16 -0.08 0.00 0.00 0.00 178.15 179.01 1i41 h GLU 220 N -0.12 -0.02 0.74 2.37 4.81 -1.85 0.24 114.58 120.75 1i41 h GLU 220 Ca 0.18 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1i41 h GLU 220 Cb 0.51 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1i41 h GLU 220 CO -0.83 -0.01 -0.37 1.25 -0.73 0.00 0.00 179.01 178.31 1i41 h LEU 221 N -0.02 -0.89 -0.33 1.64 5.85 -1.51 -2.38 115.31 117.67 1i41 h LEU 221 Ca 0.26 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1i41 h LEU 221 Cb 0.43 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 1i41 h LEU 221 CO -0.58 -0.62 -0.55 0.58 -0.34 0.00 0.00 178.44 176.93 1i41 h VAL 222 N -1.02 0.01 -0.97 1.05 2.07 -0.87 -0.33 116.25 116.18 1i41 h VAL 222 Ca -0.10 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.66 1i41 h VAL 222 Cb 0.79 0.01 -0.18 0.00 -1.52 0.00 0.00 31.29 30.38 1i41 h VAL 222 CO 0.16 0.00 -0.08 -1.20 0.02 0.00 0.00 177.57 176.47 1i41 n SER 223 N -5.40 -0.20 -0.01 0.57 7.64 0.83 0.11 113.62 117.16 1i41 n SER 223 Ca -0.04 1.66 -0.11 0.00 1.01 0.00 0.00 58.87 61.39 1i41 n SER 223 Cb 0.35 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 1i41 n SER 223 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1i41 h LYS 224 N 0.00 0.14 0.37 1.43 3.64 -0.54 -1.35 116.57 120.26 1i41 h LYS 224 Ca 0.54 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.89 1i41 h LYS 224 Cb 1.03 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1i41 h LYS 224 CO -0.95 0.17 -0.20 -0.07 -2.27 0.00 0.00 179.45 176.13 1i41 h LEU 225 N 0.07 -0.49 -0.02 5.20 3.38 0.63 -2.80 115.31 121.27 1i41 h LEU 225 Ca 0.04 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1i41 h LEU 225 Cb 0.07 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1i41 h LEU 225 CO -0.01 -0.33 -0.18 0.00 0.09 0.00 0.00 178.44 178.01 1i41 h HIS 227 N -0.28 0.00 0.00 0.00 3.86 -1.21 0.11 115.15 117.63 1i41 h HIS 227 Ca 0.06 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 1i41 h HIS 227 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1i41 h HIS 227 CO -0.24 0.00 -0.38 1.49 0.86 0.00 0.00 177.93 179.66 1i41 h GLU 228 N 0.00 0.00 -0.39 2.45 4.81 -1.12 -3.14 114.58 117.19 1i41 h GLU 228 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1i41 h GLU 228 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1i41 h GLU 228 CO -0.00 0.38 0.00 1.63 -0.73 0.00 0.00 179.01 180.29 1i41 n LYS 229 N -3.50 2.66 -0.71 1.92 4.76 0.33 -4.97 118.16 118.65 1i41 n LYS 229 Ca -0.00 -2.09 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 1i41 n LYS 229 Cb 0.53 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 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 0.75 1.00 3.79 0.72 0.00 -0.89 -4.89 105.19 105.67 1i41 n GLY 230 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.48 2.60 0.17 4.61 0.00 -0.90 -4.91 121.76 119.85 1i41 s ALA 231 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1i41 s ALA 231 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1i41 s ALA 231 CO 0.00 -1.12 0.24 -0.51 0.00 0.00 0.00 175.76 174.37 1i41 s LEU 232 N -4.97 4.14 -0.14 0.00 1.43 -0.90 -4.04 118.68 114.20 1i41 s LEU 232 Ca 0.63 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1i41 s LEU 232 Cb -0.17 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.36 1i41 s LEU 232 CO 0.44 0.04 -0.15 -0.69 0.23 0.00 0.00 176.35 176.22 1i41 s VAL 233 N -1.79 1.56 -0.14 -1.59 1.01 -1.26 0.14 120.40 118.33 1i41 s VAL 233 Ca 0.33 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1i41 s VAL 233 Cb -0.10 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1i41 s VAL 233 CO 0.27 0.46 -0.20 0.00 0.00 0.00 0.00 175.10 175.62 1i41 s ILE 235 N 0.96 3.13 -1.12 0.00 -1.09 0.28 -1.58 121.20 121.78 1i41 s ILE 235 Ca -0.04 -0.60 -0.16 0.00 -2.23 0.00 0.00 60.65 57.62 1i41 s ILE 235 Cb -0.15 -2.37 0.15 0.00 -1.58 0.00 0.00 42.46 38.52 1i41 s ILE 235 CO -0.04 0.48 1.35 -0.62 -1.23 0.00 0.00 174.94 174.88 1i41 s ASP 236 N 0.93 6.91 0.00 3.58 -1.08 0.95 -1.52 116.67 126.44 1i41 s ASP 236 Ca -0.02 -2.64 0.00 0.00 -0.52 0.00 0.00 52.55 49.37 1i41 s ASP 236 Cb -0.15 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1i41 s ASP 236 CO -0.00 -0.88 0.93 0.61 0.52 0.00 0.00 175.17 176.35 1i41 n GLY 237 N 4.65 1.93 0.24 2.66 0.00 -0.88 -2.94 105.19 110.85 1i41 n GLY 237 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.87 2.61 2.02 -1.86 -0.00 112.91 114.81 1i41 h THR 238 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1i41 h THR 238 Cb 0.93 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.25 1i41 h THR 238 CO 0.00 0.00 0.47 -0.26 0.37 0.00 0.00 175.52 176.10 1i41 h PHE 239 N -0.17 0.83 0.83 3.16 0.04 -1.85 -2.99 116.94 116.79 1i41 h PHE 239 Ca 0.05 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 1i41 h PHE 239 Cb 0.30 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 38.22 1i41 h PHE 239 CO -0.73 0.23 -0.40 0.00 -0.60 0.00 0.00 178.31 176.81 1i41 h ALA 240 N 1.55 -1.11 0.00 2.45 0.00 -1.45 -3.41 119.26 117.28 1i41 h ALA 240 Ca 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 240 Cb 0.61 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1i41 h ALA 240 CO -0.34 -1.07 0.00 2.41 0.00 0.00 0.00 179.25 180.26 1i41 n THR 241 N -5.53 -0.41 0.16 0.00 -1.04 -0.14 -3.95 114.28 103.37 1i41 n THR 241 Ca -0.14 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1i41 n THR 241 Cb 0.45 -0.05 0.37 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.85 0.09 0.13 -2.82 -0.04 -1.26 -1.49 135.00 130.46 1i41 n PRO 242 Ca 0.00 0.57 -0.22 0.00 -0.04 0.00 0.00 63.50 63.81 1i41 n PRO 242 Cb 0.00 -2.08 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 1i41 n PRO 242 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1i41 h LEU 243 N 0.00 0.72 -0.31 1.53 3.38 -1.96 -3.33 115.31 115.34 1i41 h LEU 243 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1i41 h LEU 243 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1i41 h LEU 243 CO 0.00 1.62 -0.17 0.59 0.09 0.00 0.00 178.44 180.57 1i41 n ASN 244 N -3.65 0.64 -3.62 -0.43 3.02 -0.56 -4.82 115.26 105.85 1i41 n ASN 244 Ca -0.15 -0.64 -0.05 0.00 -0.03 0.00 0.00 54.58 53.71 1i41 n ASN 244 Cb 1.08 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.21 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 -2.52 0.26 -0.67 3.52 -2.07 -1.18 -1.23 119.66 115.77 1i41 s GLN 245 Ca 0.26 0.03 0.05 0.00 -1.82 0.00 0.00 55.36 53.88 1i41 s GLN 245 Cb 0.20 0.12 0.18 0.00 -1.09 0.00 0.00 33.01 32.41 1i41 s GLN 245 CO 0.50 -0.09 0.50 1.63 -1.32 0.00 0.00 175.29 176.52 1i41 n LYS 246 N 0.48 1.72 -0.31 9.60 4.76 -1.26 -4.35 118.16 128.79 1i41 n LYS 246 Ca -0.03 -4.36 0.15 0.00 -2.87 0.00 0.00 58.31 51.19 1i41 n LYS 246 Cb 0.58 -2.21 0.33 0.00 -1.84 0.00 0.00 35.03 31.89 1i41 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i41 h ALA 247 N 5.29 1.49 -0.95 7.82 0.00 -1.94 0.44 119.26 131.41 1i41 h ALA 247 Ca 0.17 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1i41 h ALA 247 Cb 0.76 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1i41 h ALA 247 CO 0.69 -0.37 0.63 -0.07 0.00 0.00 0.00 179.25 180.12 1i41 h LEU 248 N 0.38 1.06 -0.63 0.00 3.38 -1.86 -0.74 115.31 116.91 1i41 h LEU 248 Ca 0.58 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.41 1i41 h LEU 248 Cb 1.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1i41 h LEU 248 CO -0.55 0.75 -0.22 0.00 0.09 0.00 0.00 178.44 178.51 1i41 h ALA 249 N 1.43 0.82 0.00 1.53 0.00 -0.46 -2.40 119.26 120.17 1i41 h ALA 249 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i41 h ALA 249 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1i41 h ALA 249 CO -0.10 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.08 1i41 n LEU 250 N -4.11 0.00 0.00 0.00 4.77 -0.49 -4.81 117.00 112.35 1i41 n LEU 250 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1i41 n LEU 250 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1i41 n LEU 250 CO 0.45 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1i41 n GLY 251 N 0.12 2.03 3.59 -0.72 0.00 -0.90 -3.53 105.19 105.78 1i41 n GLY 251 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.80 0.00 0.06 4.61 0.00 -0.35 -4.93 120.51 119.10 1i41 n ALA 252 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1i41 n ALA 252 Cb 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 19.45 17.25 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 1.03 0.52 -3.64 0.00 3.32 -1.55 -3.40 116.42 112.69 1i41 h ASP 253 Ca -0.46 -0.93 -0.29 0.00 0.02 0.00 0.00 57.03 55.37 1i41 h ASP 253 Cb 1.35 -0.17 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 1i41 h ASP 253 CO 0.54 1.48 -0.73 -0.76 -1.72 0.00 0.00 179.24 178.05 1i41 s LEU 254 N -7.78 1.54 -0.10 1.55 1.43 -0.44 -4.11 118.68 110.77 1i41 s LEU 254 Ca -0.14 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1i41 s LEU 254 Cb 0.02 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.14 1i41 s LEU 254 CO 0.84 -0.05 -0.19 0.54 0.23 0.00 0.00 176.35 177.72 1i41 s VAL 255 N 0.53 1.72 0.18 -1.59 0.11 -0.88 -0.55 120.40 119.92 1i41 s VAL 255 Ca -0.05 -0.80 0.09 0.00 -2.93 0.00 0.00 61.98 58.29 1i41 s VAL 255 Cb -0.07 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1i41 s VAL 255 CO -0.01 0.48 -0.19 -1.48 -3.33 0.00 0.00 175.10 170.57 1i41 s LEU 256 N 0.69 2.46 0.19 2.54 0.05 -0.58 -1.35 118.68 122.68 1i41 s LEU 256 Ca -0.12 -0.89 0.00 0.00 0.05 0.00 0.00 54.13 53.17 1i41 s LEU 256 Cb -0.16 -0.88 -0.04 0.00 -2.05 0.00 0.00 46.19 43.05 1i41 s LEU 256 CO 0.03 -0.02 0.07 -1.00 -0.55 0.00 0.00 176.35 174.88 1i41 s HIS 257 N -2.12 1.16 -0.73 3.48 3.76 -0.12 -2.06 115.29 118.66 1i41 s HIS 257 Ca 0.18 -1.21 0.01 0.00 -0.15 0.00 0.00 55.06 53.89 1i41 s HIS 257 Cb -0.05 -0.64 0.18 0.00 1.11 0.00 0.00 32.58 33.18 1i41 s HIS 257 CO 0.08 -0.44 0.56 0.45 -0.85 0.00 0.00 174.74 174.53 1i41 s SER 258 N -3.16 5.26 0.61 1.40 0.15 -1.26 -2.40 113.70 114.30 1i41 s SER 258 Ca 0.31 -3.52 0.24 0.00 0.70 0.00 0.00 55.95 53.68 1i41 s SER 258 Cb 0.07 -1.78 0.96 0.00 -1.71 0.00 0.00 66.02 63.57 1i41 s SER 258 CO 0.08 -0.19 1.43 0.00 1.20 0.00 0.00 173.24 175.75 1i41 h ALA 259 N 6.06 2.58 -0.96 5.45 0.00 -1.51 0.22 119.26 131.10 1i41 h ALA 259 Ca 0.09 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1i41 h ALA 259 Cb 0.83 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 1i41 h ALA 259 CO 0.76 -1.35 0.49 1.15 0.00 0.00 0.00 179.25 180.30 1i41 h THR 260 N 0.00 0.45 0.00 0.00 2.02 -1.72 -0.11 112.91 113.55 1i41 h THR 260 Ca 0.34 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1i41 h THR 260 Cb 2.31 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1i41 h THR 260 CO -0.00 0.08 0.00 0.29 0.37 0.00 0.00 175.52 176.26 1i41 n LYS 261 N -5.00 0.00 0.08 6.66 4.76 0.77 -4.33 118.16 121.09 1i41 n LYS 261 Ca 0.26 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1i41 n LYS 261 Cb 0.76 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.87 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 -0.20 -0.58 2.13 0.04 -1.73 0.32 116.94 116.91 1i41 h PHE 262 Ca 0.00 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.87 1i41 h PHE 262 Cb 0.00 0.06 -0.11 0.00 2.20 0.00 0.00 35.95 38.10 1i41 h PHE 262 CO 0.00 0.16 -0.32 -0.07 -0.60 0.00 0.00 178.31 177.48 1i41 h LEU 263 N -0.58 -1.11 -0.10 1.54 3.38 -1.84 0.05 115.31 116.64 1i41 h LEU 263 Ca -0.02 0.22 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1i41 h LEU 263 Cb 0.44 0.56 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1i41 h LEU 263 CO 0.04 -0.30 -0.43 1.23 0.09 0.00 0.00 178.44 179.06 1i41 h GLY 264 N -0.16 0.52 -2.17 0.83 0.00 -1.09 -3.29 103.07 97.71 1i41 h GLY 264 Ca 0.24 -0.72 -0.23 0.00 0.00 0.00 0.00 47.33 46.61 1i41 h GLY 264 CO -0.67 0.64 -0.24 0.61 0.00 0.00 0.00 176.54 176.88 1i41 n GLY 265 N 0.67 0.63 0.00 4.60 0.00 0.11 -4.59 105.19 106.61 1i41 n GLY 265 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.22 0.00 -3.88 1.61 8.25 -1.26 -2.22 115.22 115.49 1i41 n HIS 266 Ca -0.12 -0.20 -0.28 0.00 -0.26 0.00 0.00 57.72 56.86 1i41 n HIS 266 Cb 0.44 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.20 -3.49 -1.56 0.41 3.02 -1.26 -4.86 115.26 107.32 1i41 n ASN 267 Ca 0.00 -0.82 0.01 0.00 -0.03 0.00 0.00 54.58 53.74 1i41 n ASN 267 Cb 0.34 -3.82 0.01 0.00 -0.61 0.00 0.00 39.78 35.70 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 -2.89 0.57 -3.65 6.41 5.68 -1.26 -5.11 116.55 116.30 1i41 n ASP 268 Ca -0.07 -2.01 -0.03 0.00 -0.50 0.00 0.00 54.79 52.19 1i41 n ASP 268 Cb 0.57 -0.16 -0.06 0.00 -1.14 0.00 0.00 41.12 40.33 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1i41 s VAL 269 N -0.36 0.00 0.01 2.12 0.11 -1.26 -5.10 120.40 115.93 1i41 s VAL 269 Ca 0.26 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1i41 s VAL 269 Cb 0.30 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1i41 s VAL 269 CO -0.12 0.00 -0.02 -0.76 -3.33 0.00 0.00 175.10 170.87 1i41 s LEU 270 N -0.20 3.40 -0.29 2.54 1.43 -1.26 -4.22 118.68 120.08 1i41 s LEU 270 Ca 0.08 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1i41 s LEU 270 Cb -0.04 -1.98 0.14 0.00 0.03 0.00 0.00 46.19 44.35 1i41 s LEU 270 CO -0.14 0.27 1.12 0.00 0.23 0.00 0.00 176.35 177.82 1i41 s ALA 271 N -1.09 -2.10 0.36 4.21 0.00 -1.21 -4.64 121.76 117.29 1i41 s ALA 271 Ca 0.20 1.90 0.06 0.00 0.00 0.00 0.00 51.96 54.11 1i41 s ALA 271 Cb -0.11 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1i41 s ALA 271 CO 0.10 -0.23 0.50 0.20 0.00 0.00 0.00 175.76 176.34 1i41 s GLY 272 N 0.41 1.63 -0.29 0.00 0.00 -1.08 -1.35 107.32 106.64 1i41 s GLY 272 Ca 0.02 -1.44 -0.16 0.00 0.00 0.00 0.00 44.72 43.14 1i41 s GLY 272 CO -0.10 -1.34 0.84 0.00 0.00 0.00 0.00 173.10 172.50 1i41 s ILE 274 N 1.62 0.80 0.14 0.00 1.01 -0.57 -0.94 121.20 123.26 1i41 s ILE 274 Ca -0.09 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1i41 s ILE 274 Cb -0.05 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1i41 s ILE 274 CO -0.17 0.29 -0.21 -0.44 0.00 0.00 0.00 174.94 174.40 1i41 s SER 275 N 0.94 2.79 0.00 3.58 0.01 -0.45 0.86 113.70 121.43 1i41 s SER 275 Ca -0.10 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1i41 s SER 275 Cb -0.15 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1i41 s SER 275 CO 0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1i41 n GLY 276 N 0.72 -0.69 3.77 3.44 0.00 -0.59 -2.06 105.19 109.77 1i41 n GLY 276 Ca -0.17 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.55 3.66 0.08 1.61 0.04 -1.26 -2.06 135.00 135.53 1i41 s PRO 277 Ca 0.00 1.78 -0.34 0.00 0.04 0.00 0.00 61.00 62.48 1i41 s PRO 277 Cb 0.00 -2.34 -0.17 0.00 0.04 0.00 0.00 34.50 32.03 1i41 s PRO 277 CO 0.00 -0.63 1.53 1.25 0.04 0.00 0.00 177.00 179.18 1i41 h LEU 278 N 1.89 -1.30 -1.94 -3.56 6.46 -1.89 -0.42 115.31 114.55 1i41 h LEU 278 Ca -0.50 0.10 0.54 0.00 -0.12 0.00 0.00 57.88 57.90 1i41 h LEU 278 Cb 1.25 0.42 -0.08 0.00 -0.73 0.00 0.00 40.66 41.52 1i41 h LEU 278 CO 0.60 -0.65 1.31 0.50 -0.62 0.00 0.00 178.44 179.58 1i41 h LYS 279 N -1.00 0.00 0.00 1.25 3.64 -2.00 -0.32 116.57 118.15 1i41 h LYS 279 Ca -0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1i41 h LYS 279 Cb 0.85 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1i41 h LYS 279 CO -0.03 0.00 -0.24 1.28 -2.27 0.00 0.00 179.45 178.20 1i41 n LEU 280 N -4.04 0.84 -0.34 5.20 4.77 -0.88 -4.18 117.00 118.38 1i41 n LEU 280 Ca 0.42 0.43 0.17 0.00 -0.03 0.00 0.00 56.01 57.00 1i41 n LEU 280 Cb 1.89 -0.67 0.37 0.00 -2.33 0.00 0.00 43.42 42.68 1i41 n LEU 280 CO 0.42 -0.49 1.14 1.62 -1.33 0.00 0.00 177.39 178.75 1i41 h VAL 281 N -0.47 0.52 -0.86 4.08 3.04 -0.62 0.02 116.25 121.97 1i41 h VAL 281 Ca 0.00 -0.19 0.05 0.00 -1.01 0.00 0.00 66.70 65.55 1i41 h VAL 281 Cb 0.24 -0.07 -0.05 0.00 -2.01 0.00 0.00 31.29 29.40 1i41 h VAL 281 CO 0.00 0.10 0.56 0.77 -1.01 0.00 0.00 177.57 177.99 1i41 h SER 282 N 0.54 0.89 -0.04 3.17 4.64 -1.29 0.05 113.55 121.52 1i41 h SER 282 Ca 0.63 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.93 1i41 h SER 282 Cb 1.20 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1i41 h SER 282 CO -0.49 0.60 -0.00 -0.33 -0.87 0.00 0.00 176.83 175.74 1i41 h GLU 283 N 1.03 0.13 0.01 4.77 4.39 -1.15 -1.47 114.58 122.29 1i41 h GLU 283 Ca 0.35 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1i41 h GLU 283 Cb 0.10 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1i41 h GLU 283 CO -0.11 0.14 -0.01 0.82 -1.16 0.00 0.00 179.01 178.69 1i41 h ILE 284 N 0.13 1.51 -1.05 3.13 2.04 -1.02 -3.22 117.51 119.02 1i41 h ILE 284 Ca 0.03 -1.92 0.31 0.00 1.00 0.00 0.00 64.86 64.28 1i41 h ILE 284 Cb 0.09 2.76 -0.13 0.00 -0.74 0.00 0.00 36.82 38.80 1i41 h ILE 284 CO 0.00 0.47 0.63 -0.09 0.00 0.00 0.00 178.15 179.17 1i41 h ARG 285 N -0.89 0.35 0.50 2.37 9.65 -0.78 0.45 114.38 126.04 1i41 h ARG 285 Ca -0.00 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1i41 h ARG 285 Cb 0.79 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 1i41 h ARG 285 CO 0.00 0.23 -0.26 -0.91 2.80 0.00 0.00 179.97 181.84 1i41 h ASN 286 N 0.36 -0.63 -0.16 -3.80 2.35 -1.32 0.10 115.58 112.47 1i41 h ASN 286 Ca 0.70 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.45 1i41 h ASN 286 Cb 1.66 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 40.19 1i41 h ASN 286 CO -0.49 -0.43 0.03 0.25 -1.65 0.00 0.00 177.43 175.13 1i41 h LEU 287 N -0.71 0.34 -1.45 1.61 5.85 -0.67 -1.38 115.31 118.91 1i41 h LEU 287 Ca -0.06 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1i41 h LEU 287 Cb 0.55 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1i41 h LEU 287 CO 0.10 0.38 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.81 1i41 h HIS 288 N 0.37 0.33 0.00 1.25 2.76 0.34 -1.05 115.15 119.15 1i41 h HIS 288 Ca 0.09 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1i41 h HIS 288 Cb 0.20 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1i41 h HIS 288 CO 0.01 0.36 0.00 0.72 -1.30 0.00 0.00 177.93 177.72 1i41 n HIS 289 N -4.33 0.00 -0.02 5.26 8.25 -0.03 -2.41 115.22 121.94 1i41 n HIS 289 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1i41 n HIS 289 Cb 0.21 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.12 0.72 0.12 1.59 5.41 -0.46 -4.57 119.36 121.06 1i41 n ILE 290 Ca 0.09 0.04 0.02 0.00 1.00 0.00 0.00 62.75 63.89 1i41 n ILE 290 Cb 0.07 -1.67 0.07 0.00 -0.71 0.00 0.00 39.64 37.41 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 -3.49 0.00 -3.77 1.39 4.77 -0.83 -4.87 117.00 110.21 1i41 n LEU 291 Ca -0.12 0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 55.98 1i41 n LEU 291 Cb 0.46 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1i41 n LEU 291 CO 0.03 -0.38 -0.11 0.61 -1.33 0.00 0.00 177.39 176.20 1i41 n GLY 292 N -1.12 -0.84 1.97 -0.72 0.00 -1.01 -4.89 105.19 98.58 1i41 n GLY 292 Ca 0.01 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.77 3.82 2.92 -0.02 0.00 -1.26 -5.02 105.19 103.86 1i41 n GLY 293 Ca -0.13 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.32 -2.89 -2.80 4.61 0.00 -1.26 -1.18 120.51 116.67 1i41 n ALA 294 Ca 0.43 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 1i41 n ALA 294 Cb 1.40 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 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 4.40 3.81 0.26 0.00 2.96 -1.26 -4.29 118.68 124.55 1i41 s LEU 295 Ca 0.51 0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 54.27 1i41 s LEU 295 Cb -0.46 -1.93 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 1i41 s LEU 295 CO 0.59 0.26 1.25 0.21 -1.32 0.00 0.00 176.35 177.34 1i41 s ASN 296 N -0.15 6.96 0.20 3.68 3.84 -1.26 -4.88 114.94 123.33 1i41 s ASN 296 Ca 0.07 2.44 -0.16 0.00 0.21 0.00 0.00 52.86 55.42 1i41 s ASN 296 Cb -0.12 -2.63 0.19 0.00 -0.55 0.00 0.00 41.25 38.14 1i41 s ASN 296 CO 0.01 -0.43 1.61 -0.65 -2.79 0.00 0.00 177.10 174.85 1i41 h PRO 297 N 4.41 -0.07 -0.75 0.43 0.11 -1.97 0.35 132.00 134.51 1i41 h PRO 297 Ca -0.46 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1i41 h PRO 297 Cb 1.22 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 1i41 h PRO 297 CO 0.71 -0.05 0.29 -0.91 -0.21 0.00 0.00 178.00 177.84 1i41 h ASN 298 N -0.08 0.27 0.42 -2.05 2.35 -1.92 0.05 115.58 114.62 1i41 h ASN 298 Ca 0.27 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 1i41 h ASN 298 Cb 0.51 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1i41 h ASN 298 CO -0.66 0.10 -0.20 0.00 -1.65 0.00 0.00 177.43 175.02 1i41 h ALA 299 N 1.55 -0.56 -0.40 -0.83 0.00 -1.35 -2.23 119.26 115.43 1i41 h ALA 299 Ca 0.41 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1i41 h ALA 299 Cb 0.63 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1i41 h ALA 299 CO -0.41 -0.81 -0.51 0.00 0.00 0.00 0.00 179.25 177.52 1i41 h ALA 300 N 0.02 -0.64 -0.44 0.00 0.00 -0.07 -1.60 119.26 116.53 1i41 h ALA 300 Ca -0.06 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1i41 h ALA 300 Cb 0.43 1.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 1i41 h ALA 300 CO 0.09 -0.98 -0.28 -0.92 0.00 0.00 0.00 179.25 177.17 1i41 h TYR 301 N -0.37 -0.74 -1.05 0.00 3.20 -0.92 0.43 116.97 117.51 1i41 h TYR 301 Ca 0.10 0.06 0.28 0.00 3.14 0.00 0.00 58.73 62.31 1i41 h TYR 301 Cb 0.60 0.39 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 1i41 h TYR 301 CO -0.68 -0.35 0.70 -0.07 -1.64 0.00 0.00 178.16 176.12 1i41 h LEU 302 N -0.19 0.32 -0.08 2.82 3.38 -0.69 0.42 115.31 121.30 1i41 h LEU 302 Ca 0.20 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 1i41 h LEU 302 Cb 0.51 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1i41 h LEU 302 CO -0.55 0.06 -0.68 0.40 0.09 0.00 0.00 178.44 177.76 1i41 h ILE 303 N 0.29 1.34 -0.67 1.22 5.03 0.47 -0.96 117.51 124.24 1i41 h ILE 303 Ca 0.57 -1.98 0.05 0.00 -0.12 0.00 0.00 64.86 63.39 1i41 h ILE 303 Cb 1.66 2.23 -0.05 0.00 -3.03 0.00 0.00 36.82 37.63 1i41 h ILE 303 CO -0.21 0.60 0.38 0.40 -0.68 0.00 0.00 178.15 178.64 1i41 h ILE 304 N 0.24 0.99 -0.53 -0.67 2.04 0.13 0.82 117.51 120.54 1i41 h ILE 304 Ca -0.06 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1i41 h ILE 304 Cb 1.34 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1i41 h ILE 304 CO 0.14 0.13 0.17 -0.09 0.00 0.00 0.00 178.15 178.49 1i41 h ARG 305 N 0.71 0.82 -0.48 2.37 2.43 -0.45 -2.80 114.38 116.98 1i41 h ARG 305 Ca 0.29 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1i41 h ARG 305 Cb 0.16 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1i41 h ARG 305 CO -0.17 0.76 -0.01 0.78 -1.51 0.00 0.00 179.97 179.82 1i41 h GLY 306 N 0.73 0.86 1.94 2.80 0.00 -0.17 -2.18 103.07 107.05 1i41 h GLY 306 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1i41 h GLY 306 CO -0.01 0.54 0.00 1.03 0.00 0.00 0.00 176.54 178.10 1i41 n MET 307 N -4.21 0.04 0.31 4.80 2.81 0.19 -2.72 117.12 118.34 1i41 n MET 307 Ca 0.02 0.13 0.19 0.00 -1.81 0.00 0.00 57.70 56.23 1i41 n MET 307 Cb 0.31 -1.50 1.00 0.00 -0.71 0.00 0.00 33.22 32.32 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 -0.48 0.03 1.79 -1.13 -2.08 116.57 114.71 1i41 h LYS 308 Ca 0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1i41 h LYS 308 Cb 0.34 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.61 1i41 h LYS 308 CO 0.00 0.02 -0.96 0.25 -1.08 0.00 0.00 179.45 177.68 1i41 n THR 309 N -3.37 1.68 0.46 -0.16 -2.24 -1.10 -4.72 114.28 104.83 1i41 n THR 309 Ca -0.02 -3.24 -0.18 0.00 -2.27 0.00 0.00 64.05 58.33 1i41 n THR 309 Cb 0.13 0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 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 2.19 -1.00 -0.05 3.22 5.85 -1.42 -2.47 115.31 121.63 1i41 h LEU 310 Ca 0.05 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1i41 h LEU 310 Cb 1.41 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.66 1i41 h LEU 310 CO 0.37 -0.66 -0.29 1.12 -0.34 0.00 0.00 178.44 178.65 1i41 h HIS 311 N -1.29 -0.86 -0.92 1.25 2.07 -1.90 -0.59 115.15 112.92 1i41 h HIS 311 Ca -0.12 0.03 0.21 0.00 -2.85 0.00 0.00 60.37 57.64 1i41 h HIS 311 Cb 0.91 0.38 -0.17 0.00 2.57 0.00 0.00 27.41 31.09 1i41 h HIS 311 CO -0.00 -0.30 -0.13 1.28 -3.07 0.00 0.00 177.93 175.71 1i41 n LEU 312 N -4.09 -0.24 0.04 6.12 4.77 -1.24 -0.29 117.00 122.08 1i41 n LEU 312 Ca -0.03 1.57 -0.13 0.00 -0.03 0.00 0.00 56.01 57.39 1i41 n LEU 312 Cb 0.20 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 1i41 n LEU 312 CO 0.05 -1.54 0.71 0.03 -1.33 0.00 0.00 177.39 175.30 1i41 h ARG 313 N 0.00 -0.09 0.18 3.23 3.08 -0.86 -2.92 114.38 117.00 1i41 h ARG 313 Ca 0.49 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.55 1i41 h ARG 313 Cb 0.86 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 1i41 h ARG 313 CO -0.91 0.19 -0.25 0.28 -1.07 0.00 0.00 179.97 178.21 1i41 h VAL 314 N -0.37 0.46 -0.82 2.04 2.07 0.79 -2.07 116.25 118.36 1i41 h VAL 314 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1i41 h VAL 314 Cb 0.32 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 1i41 h VAL 314 CO 0.02 0.00 -0.51 1.56 0.02 0.00 0.00 177.57 178.66 1i41 h GLN 315 N -0.49 -0.03 -0.77 1.57 4.20 -0.67 0.69 115.11 119.61 1i41 h GLN 315 Ca 0.01 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1i41 h GLN 315 Cb 0.49 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 1i41 h GLN 315 CO -0.10 -0.02 0.47 0.37 -0.67 0.00 0.00 178.83 178.89 1i41 h GLN 316 N -0.03 0.85 -0.37 1.46 5.75 -1.38 -2.43 115.11 118.96 1i41 h GLN 316 Ca 0.13 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.48 1i41 h GLN 316 Cb 0.36 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1i41 h GLN 316 CO -0.79 0.56 -0.15 1.96 -2.65 0.00 0.00 178.83 177.77 1i41 h GLN 317 N 0.88 0.75 -0.89 1.69 4.20 -0.31 -1.63 115.11 119.80 1i41 h GLN 317 Ca 0.33 -0.32 0.16 0.00 0.06 0.00 0.00 58.65 58.88 1i41 h GLN 317 Cb 0.13 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.81 1i41 h GLN 317 CO -0.16 0.93 0.58 -0.91 -0.67 0.00 0.00 178.83 178.59 1i41 h ASN 318 N 0.55 0.60 0.00 1.46 2.35 0.72 -1.59 115.58 119.66 1i41 h ASN 318 Ca 0.09 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1i41 h ASN 318 Cb 0.68 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1i41 h ASN 318 CO 0.05 0.29 0.00 -1.20 -1.65 0.00 0.00 177.43 174.92 1i41 n SER 319 N -4.56 0.00 -0.17 5.81 7.64 -0.95 -2.92 113.62 118.46 1i41 n SER 319 Ca 0.18 0.36 -0.03 0.00 1.01 0.00 0.00 58.87 60.39 1i41 n SER 319 Cb 0.52 -0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.17 -0.26 0.07 0.44 -1.04 -0.64 -0.06 114.28 111.62 1i41 n THR 320 Ca 0.00 1.03 -0.10 0.00 -2.04 0.00 0.00 64.05 62.94 1i41 n THR 320 Cb 0.00 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 67.13 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 0.41 -0.83 -0.19 2.41 0.00 -1.44 0.37 119.26 119.99 1i41 h ALA 321 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1i41 h ALA 321 Cb 0.22 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1i41 h ALA 321 CO -0.42 -0.91 -0.43 1.25 0.00 0.00 0.00 179.25 178.73 1i41 h LEU 322 N -0.47 -1.38 -0.17 0.00 5.85 -0.35 0.67 115.31 119.46 1i41 h LEU 322 Ca -0.00 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1i41 h LEU 322 Cb 0.47 0.57 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1i41 h LEU 322 CO -0.18 -0.42 -0.13 0.03 -0.34 0.00 0.00 178.44 177.40 1i41 h ARG 323 N -0.46 -0.14 -0.95 1.25 3.08 -1.04 -0.93 114.38 115.19 1i41 h ARG 323 Ca 0.08 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1i41 h ARG 323 Cb 0.62 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 1i41 h ARG 323 CO -0.44 -0.09 0.61 0.52 -1.07 0.00 0.00 179.97 179.50 1i41 h MET 324 N -0.14 1.13 0.13 0.04 2.86 0.32 -2.37 114.93 116.89 1i41 h MET 324 Ca 0.11 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1i41 h MET 324 Cb 0.30 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1i41 h MET 324 CO -0.26 0.74 -0.30 0.00 1.06 0.00 0.00 176.91 178.16 1i41 h ALA 325 N 1.41 -0.86 -0.56 6.32 0.00 0.17 0.72 119.26 126.46 1i41 h ALA 325 Ca 0.39 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1i41 h ALA 325 Cb 0.07 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1i41 h ALA 325 CO -0.14 -0.92 -0.40 0.93 0.00 0.00 0.00 179.25 178.72 1i41 h GLU 326 N -0.47 -0.21 -0.91 0.00 5.08 -1.17 0.45 114.58 117.35 1i41 h GLU 326 Ca -0.01 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1i41 h GLU 326 Cb 0.45 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1i41 h GLU 326 CO -0.13 -0.14 0.47 0.82 -1.00 0.00 0.00 179.01 179.03 1i41 h ILE 327 N -0.22 0.61 -0.30 3.13 2.04 -1.09 -0.76 117.51 120.93 1i41 h ILE 327 Ca 0.19 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1i41 h ILE 327 Cb 0.56 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1i41 h ILE 327 CO -0.67 0.10 0.04 -0.07 0.00 0.00 0.00 178.15 177.55 1i41 h LEU 328 N 0.56 0.49 -0.64 1.44 3.38 0.22 -2.20 115.31 118.55 1i41 h LEU 328 Ca 0.54 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1i41 h LEU 328 Cb 0.91 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1i41 h LEU 328 CO -0.44 0.64 0.36 -0.08 0.09 0.00 0.00 178.44 179.01 1i41 h GLU 329 N 0.32 0.64 -0.28 1.13 4.81 0.58 -2.10 114.58 119.69 1i41 h GLU 329 Ca 0.09 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1i41 h GLU 329 Cb 0.37 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1i41 h GLU 329 CO 0.01 0.42 -0.14 0.00 -0.73 0.00 0.00 179.01 178.57 1i41 h ALA 330 N 1.34 1.24 -2.23 2.92 0.00 -1.19 -3.45 119.26 117.88 1i41 h ALA 330 Ca 0.29 -0.28 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 1i41 h ALA 330 Cb 0.17 -0.13 0.11 0.00 0.00 0.00 0.00 17.79 17.95 1i41 h ALA 330 CO -0.18 0.50 0.27 1.58 0.00 0.00 0.00 179.25 181.41 1i41 n HIS 331 N -4.20 1.61 0.01 0.00 -0.00 -0.79 -4.92 115.22 106.94 1i41 n HIS 331 Ca 0.00 0.63 -0.11 0.00 -0.00 0.00 0.00 57.72 58.25 1i41 n HIS 331 Cb 0.33 -2.31 0.03 0.00 -0.00 0.00 0.00 29.99 28.04 1i41 n HIS 331 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1i41 h PRO 332 N 2.12 0.57 0.00 1.57 0.13 -1.86 -3.13 132.00 131.40 1i41 h PRO 332 Ca -0.43 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1i41 h PRO 332 Cb 1.32 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1i41 h PRO 332 CO 0.61 1.01 0.00 1.63 -0.23 0.00 0.00 178.00 181.02 1i41 n LYS 333 N -3.93 0.53 -3.30 0.86 5.02 -1.26 -4.58 118.16 111.50 1i41 n LYS 333 Ca -0.04 0.02 -0.45 0.00 -2.02 0.00 0.00 58.31 55.82 1i41 n LYS 333 Cb 0.65 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.40 5.15 0.17 -0.18 1.01 -1.19 -1.02 120.40 121.95 1i41 s VAL 334 Ca 0.30 -1.27 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1i41 s VAL 334 Cb 0.18 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1i41 s VAL 334 CO 0.38 -0.82 1.81 -0.09 0.00 0.00 0.00 175.10 176.39 1i41 h ARG 335 N 8.89 0.57 -3.27 2.72 2.43 -1.63 -3.46 114.38 120.63 1i41 h ARG 335 Ca -0.29 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1i41 h ARG 335 Cb 1.10 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.38 1i41 h ARG 335 CO 1.00 0.37 -0.09 -1.58 -1.51 0.00 0.00 179.97 178.16 1i41 s HIS 336 N -6.14 -0.22 -0.03 2.20 2.46 -1.13 -4.98 115.29 107.45 1i41 s HIS 336 Ca -0.13 -0.00 -0.00 0.00 0.47 0.00 0.00 55.06 55.40 1i41 s HIS 336 Cb 0.13 0.23 0.03 0.00 -0.13 0.00 0.00 32.58 32.84 1i41 s HIS 336 CO 0.74 -0.65 0.02 0.08 -2.47 0.00 0.00 174.74 172.45 1i41 s VAL 337 N -3.31 0.08 -0.26 0.89 1.01 -1.26 -1.57 120.40 115.97 1i41 s VAL 337 Ca -0.00 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1i41 s VAL 337 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1i41 s VAL 337 CO -0.08 0.14 0.09 -0.31 0.00 0.00 0.00 175.10 174.93 1i41 s TYR 338 N 1.21 3.11 -0.30 5.22 1.51 0.27 -4.82 117.35 123.55 1i41 s TYR 338 Ca -0.07 -0.43 -0.15 0.00 -1.01 0.00 0.00 57.07 55.40 1i41 s TYR 338 Cb -0.13 -2.26 0.16 0.00 -0.11 0.00 0.00 41.96 39.62 1i41 s TYR 338 CO -0.02 -0.37 1.01 -0.47 -1.11 0.00 0.00 175.55 174.58 1i41 s TYR 339 N 1.62 -0.62 0.62 2.71 5.04 -1.26 -2.96 117.35 122.50 1i41 s TYR 339 Ca 0.06 1.10 0.29 0.00 -2.44 0.00 0.00 57.07 56.08 1i41 s TYR 339 Cb -0.16 0.37 1.59 0.00 0.35 0.00 0.00 41.96 44.11 1i41 s TYR 339 CO 0.04 -0.31 1.95 -1.35 -1.34 0.00 0.00 175.55 174.55 1i41 h PRO 340 N 7.15 0.00 -0.33 4.97 0.11 -1.87 -1.12 132.00 140.90 1i41 h PRO 340 Ca -0.18 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.78 1i41 h PRO 340 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1i41 h PRO 340 CO 0.11 0.00 -0.39 0.78 -0.21 0.00 0.00 178.00 178.29 1i41 h GLY 341 N 0.00 0.86 -2.00 -0.55 0.00 -1.94 -3.41 103.07 96.03 1i41 h GLY 341 Ca 0.10 -0.87 -0.52 0.00 0.00 0.00 0.00 47.33 46.05 1i41 h GLY 341 CO -0.00 0.78 0.43 1.08 0.00 0.00 0.00 176.54 178.84 1i41 s LEU 342 N -8.74 3.62 0.47 3.11 1.43 -0.43 -4.92 118.68 113.23 1i41 s LEU 342 Ca -0.10 2.25 0.27 0.00 -1.03 0.00 0.00 54.13 55.52 1i41 s LEU 342 Cb 0.12 -4.58 0.88 0.00 0.03 0.00 0.00 46.19 42.63 1i41 s LEU 342 CO 0.86 -1.53 1.80 1.56 0.23 0.00 0.00 176.35 179.27 1i41 h GLN 343 N 0.74 0.00 0.00 1.70 4.20 -1.87 -2.95 115.11 116.94 1i41 h GLN 343 Ca -0.49 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 1i41 h GLN 343 Cb 1.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1i41 h GLN 343 CO 0.55 0.09 -0.30 0.66 -0.67 0.00 0.00 178.83 179.17 1i41 h SER 344 N 0.00 0.00 -2.89 1.46 4.64 -1.91 -3.45 113.55 111.40 1i41 h SER 344 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1i41 h SER 344 Cb 0.77 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.91 1i41 h SER 344 CO 0.01 0.30 0.90 -2.28 -0.87 0.00 0.00 176.83 174.89 1i41 s HIS 345 N -3.68 3.00 0.25 4.77 5.04 -1.11 -4.92 115.29 118.64 1i41 s HIS 345 Ca 0.00 0.61 -0.08 0.00 -1.54 0.00 0.00 55.06 54.05 1i41 s HIS 345 Cb 0.11 -3.98 0.41 0.00 0.04 0.00 0.00 32.58 29.16 1i41 s HIS 345 CO 0.66 -3.57 1.60 -1.35 -2.34 0.00 0.00 174.74 169.75 1i41 h PRO 346 N 6.45 0.03 -0.75 2.88 0.11 -1.90 -1.71 132.00 137.10 1i41 h PRO 346 Ca -0.43 -0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.23 1i41 h PRO 346 Cb 1.21 -0.01 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 1i41 h PRO 346 CO 0.90 0.02 0.29 -0.85 -0.21 0.00 0.00 178.00 178.15 1i41 n GLU 347 N -5.47 2.35 0.09 1.05 0.00 -1.26 -4.66 120.64 112.74 1i41 n GLU 347 Ca 0.13 -3.26 0.04 0.00 0.00 0.00 0.00 57.16 54.07 1i41 n GLU 347 Cb 0.47 -2.09 0.47 0.00 0.00 0.00 0.00 31.44 30.28 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 1.35 0.33 -0.32 -1.84 2.76 -1.54 0.83 115.15 116.72 1i41 h HIS 348 Ca 0.46 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.51 1i41 h HIS 348 Cb 1.86 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.70 1i41 h HIS 348 CO 1.30 0.26 -0.28 1.12 -1.30 0.00 0.00 177.93 179.03 1i41 h HIS 349 N 0.34 0.75 0.00 5.26 2.07 -1.83 0.70 115.15 122.44 1i41 h HIS 349 Ca 0.09 -0.18 -0.00 0.00 -2.85 0.00 0.00 60.37 57.43 1i41 h HIS 349 Cb 0.07 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 29.87 1i41 h HIS 349 CO 0.00 0.86 -0.00 0.82 -3.07 0.00 0.00 177.93 176.54 1i41 h ILE 350 N 0.57 1.47 -0.58 6.12 2.04 -1.73 -2.43 117.51 122.96 1i41 h ILE 350 Ca 0.07 -1.41 0.11 0.00 1.00 0.00 0.00 64.86 64.64 1i41 h ILE 350 Cb 0.76 2.42 -0.11 0.00 -0.74 0.00 0.00 36.82 39.15 1i41 h ILE 350 CO 0.06 0.36 -0.18 0.00 0.00 0.00 0.00 178.15 178.39 1i41 h ALA 351 N 0.38 0.31 0.00 1.87 0.00 -0.75 0.58 119.26 121.64 1i41 h ALA 351 Ca -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 351 Cb 0.60 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1i41 h ALA 351 CO 0.00 -0.48 -0.03 -0.22 0.00 0.00 0.00 179.25 178.53 1i41 h LYS 352 N -0.04 0.00 0.00 0.00 3.64 -0.83 -0.33 116.57 119.01 1i41 h LYS 352 Ca 0.27 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.45 1i41 h LYS 352 Cb 0.46 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1i41 h LYS 352 CO -0.61 0.03 -1.86 1.17 -2.27 0.00 0.00 179.45 175.91 1i41 n LYS 353 N -3.42 0.65 -0.00 1.90 4.81 0.18 -4.55 118.16 117.72 1i41 n LYS 353 Ca -0.02 0.06 0.03 0.00 -0.87 0.00 0.00 58.31 57.51 1i41 n LYS 353 Cb 0.14 -1.66 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 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 -2.72 4.58 -3.97 1.64 10.64 0.06 -5.04 117.38 122.57 1i41 n GLN 354 Ca -0.16 -0.01 -0.25 0.00 -1.83 0.00 0.00 57.00 54.75 1i41 n GLN 354 Cb 0.89 -0.82 -0.04 0.00 -0.86 0.00 0.00 30.24 29.42 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 -1.64 2.30 0.00 2.61 -1.94 -0.15 -4.56 119.30 115.92 1i41 s MET 355 Ca 0.02 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.12 1i41 s MET 355 Cb 0.04 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.81 1i41 s MET 355 CO 0.25 -0.32 0.00 0.25 -0.01 0.00 0.00 175.02 175.19 1i41 n THR 356 N -1.48 0.00 -4.19 2.05 -2.24 -0.36 -4.79 114.28 103.27 1i41 n THR 356 Ca -0.01 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 1i41 n THR 356 Cb 0.64 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.61 1.92 -0.13 3.38 0.00 -1.25 -5.03 107.32 105.59 1i41 s GLY 357 Ca 0.00 -1.80 0.22 0.00 0.00 0.00 0.00 44.72 43.13 1i41 s GLY 357 CO 0.00 -1.25 1.16 0.69 0.00 0.00 0.00 173.10 173.70 1i41 n PHE 358 N -0.59 0.61 -1.27 1.90 3.72 -1.26 -4.95 117.46 115.62 1i41 n PHE 358 Ca 0.04 -1.27 0.15 0.00 -0.05 0.00 0.00 57.45 56.32 1i41 n PHE 358 Cb 0.62 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.13 -1.95 0.29 1.37 0.00 -1.26 -4.59 105.19 98.91 1i41 n GLY 359 Ca 0.11 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.38 1.59 3.76 -0.02 0.00 -1.26 -4.12 105.19 101.76 1i41 n GLY 360 Ca 0.01 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.82 3.57 -0.06 4.61 0.00 -1.26 -1.84 121.76 125.95 1i41 s ALA 361 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1i41 s ALA 361 Cb 0.06 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.68 1i41 s ALA 361 CO 0.08 0.17 -0.02 0.08 0.00 0.00 0.00 175.76 176.06 1i41 s VAL 362 N 0.05 0.50 0.00 0.00 1.01 0.42 -4.94 120.40 117.44 1i41 s VAL 362 Ca 0.24 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1i41 s VAL 362 Cb -0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1i41 s VAL 362 CO 0.10 0.26 -0.09 -0.44 0.00 0.00 0.00 175.10 174.93 1i41 s SER 363 N 1.54 4.45 -0.16 3.32 0.01 -1.16 0.25 113.70 121.97 1i41 s SER 363 Ca -0.01 -0.18 -0.28 0.00 1.31 0.00 0.00 55.95 56.78 1i41 s SER 363 Cb -0.13 -0.99 0.08 0.00 0.21 0.00 0.00 66.02 65.19 1i41 s SER 363 CO -0.04 0.29 0.77 0.72 0.41 0.00 0.00 173.24 175.39 1i41 s PHE 364 N -0.96 -0.64 0.01 2.43 -0.71 0.49 0.94 117.98 119.54 1i41 s PHE 364 Ca 0.16 1.31 -0.15 0.00 -1.04 0.00 0.00 56.93 57.21 1i41 s PHE 364 Cb -0.11 0.37 -0.06 0.00 -1.21 0.00 0.00 43.02 42.01 1i41 s PHE 364 CO 0.06 -0.47 0.43 -1.21 -1.34 0.00 0.00 175.22 172.70 1i41 s GLU 365 N -0.55 3.95 0.10 1.99 2.02 -0.61 0.13 118.70 125.72 1i41 s GLU 365 Ca -0.05 0.45 -0.04 0.00 0.02 0.00 0.00 54.97 55.35 1i41 s GLU 365 Cb -0.02 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 1i41 s GLU 365 CO 0.04 0.68 0.32 0.08 0.02 0.00 0.00 175.26 176.41 1i41 s VAL 366 N -1.09 5.24 -1.24 2.63 1.01 -1.21 -1.90 120.40 123.84 1i41 s VAL 366 Ca 0.25 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 1i41 s VAL 366 Cb -0.17 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1i41 s VAL 366 CO 0.14 0.12 1.92 -0.67 0.00 0.00 0.00 175.10 176.61 1i41 n ASP 367 N 0.32 3.95 0.00 3.32 2.03 -0.19 -4.68 116.55 121.31 1i41 n ASP 367 Ca -0.05 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1i41 n ASP 367 Cb 0.52 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 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 5.07 1.64 0.99 0.27 0.00 -1.26 -5.02 105.19 106.89 1i41 n GLY 368 Ca 0.49 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 0.84 0.00 1.61 5.75 -1.26 -4.77 116.55 118.72 1i41 n ASP 369 Ca 0.00 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1i41 n ASP 369 Cb 0.00 0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 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 -0.33 -2.12 -0.00 -1.26 0.77 117.00 114.05 1i41 n LEU 370 Ca -0.01 0.49 0.24 0.00 -0.00 0.00 0.00 56.01 56.73 1i41 n LEU 370 Cb 0.18 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 44.07 1i41 n LEU 370 CO 0.10 0.00 1.11 -0.07 -0.00 0.00 0.00 177.39 178.53 1i41 h LEU 371 N 0.00 0.51 0.69 -1.96 -0.00 -1.98 0.15 115.31 112.71 1i41 h LEU 371 Ca 0.00 0.19 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 1i41 h LEU 371 Cb 0.00 0.14 0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1i41 h LEU 371 CO 0.00 -0.14 -0.33 0.74 -0.00 0.00 0.00 178.44 178.71 1i41 h THR 372 N 0.32 0.00 -0.94 0.22 2.02 -1.64 -0.24 112.91 112.65 1i41 h THR 372 Ca 0.73 -0.20 0.21 0.00 0.77 0.00 0.00 66.41 67.91 1i41 h THR 372 Cb 1.67 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.96 1i41 h THR 372 CO -0.61 0.00 0.51 0.74 0.37 0.00 0.00 175.52 176.53 1i41 h THR 373 N -1.13 0.59 -0.15 3.16 2.02 0.14 0.28 112.91 117.83 1i41 h THR 373 Ca -0.09 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1i41 h THR 373 Cb 0.71 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1i41 h THR 373 CO 0.16 0.11 -0.05 0.00 0.37 0.00 0.00 175.52 176.10 1i41 h ALA 374 N 1.67 0.09 -0.98 6.16 0.00 -0.59 -1.14 119.26 124.47 1i41 h ALA 374 Ca 0.57 0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.76 1i41 h ALA 374 Cb 1.00 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1i41 h ALA 374 CO -0.45 -0.49 0.63 -0.22 0.00 0.00 0.00 179.25 178.72 1i41 h LYS 375 N -0.01 0.49 0.10 0.00 3.64 0.14 -0.78 116.57 120.14 1i41 h LYS 375 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1i41 h LYS 375 Cb 0.13 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1i41 h LYS 375 CO -0.17 0.33 -0.05 0.35 -2.27 0.00 0.00 179.45 177.64 1i41 h PHE 376 N 0.51 -0.12 -1.00 1.91 3.57 -0.50 -2.54 116.94 118.76 1i41 h PHE 376 Ca 0.55 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 62.31 1i41 h PHE 376 Cb 1.21 0.04 -0.13 0.00 2.79 0.00 0.00 35.95 39.86 1i41 h PHE 376 CO -0.00 -0.08 0.58 -0.39 -2.23 0.00 0.00 178.31 176.19 1i41 h VAL 377 N -0.14 0.48 -0.29 1.41 -1.51 -1.12 0.43 116.25 115.51 1i41 h VAL 377 Ca -0.01 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1i41 h VAL 377 Cb 0.10 -0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.16 1i41 h VAL 377 CO 0.02 0.09 0.17 0.44 -1.23 0.00 0.00 177.57 177.06 1i41 h ASP 378 N 0.52 0.34 0.09 4.19 5.19 -1.13 -2.00 116.42 123.61 1i41 h ASP 378 Ca 0.66 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.93 1i41 h ASP 378 Cb 1.32 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1i41 h ASP 378 CO -0.51 0.27 -0.44 0.00 -3.12 0.00 0.00 179.24 175.45 1i41 h ALA 379 N 1.79 0.92 -2.04 3.45 0.00 0.30 -3.45 119.26 120.23 1i41 h ALA 379 Ca 0.10 -0.45 -0.60 0.00 0.00 0.00 0.00 54.91 53.97 1i41 h ALA 379 Cb -0.00 -0.10 0.12 0.00 0.00 0.00 0.00 17.79 17.81 1i41 h ALA 379 CO -0.02 0.64 0.06 1.28 0.00 0.00 0.00 179.25 181.21 1i41 n LEU 380 N -4.01 1.68 -0.05 0.00 4.77 -0.75 -4.93 117.00 113.70 1i41 n LEU 380 Ca -0.02 1.12 -0.05 0.00 -0.03 0.00 0.00 56.01 57.03 1i41 n LEU 380 Cb 0.52 -1.27 -0.07 0.00 -2.33 0.00 0.00 43.42 40.26 1i41 n LEU 380 CO 0.44 -1.62 -0.83 0.29 -1.33 0.00 0.00 177.39 174.34 1i41 n LYS 381 N 0.60 2.09 -0.07 3.23 4.76 -1.26 -4.85 118.16 122.66 1i41 n LYS 381 Ca 0.10 0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.47 1i41 n LYS 381 Cb 0.34 -1.25 -0.05 0.00 -1.84 0.00 0.00 35.03 32.23 1i41 n LYS 381 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1i41 h ILE 382 N 0.00 0.50 -4.16 -0.18 2.04 -1.97 -3.47 117.51 110.27 1i41 h ILE 382 Ca -0.27 -1.47 -0.53 0.00 1.00 0.00 0.00 64.86 63.59 1i41 h ILE 382 Cb 1.58 1.03 0.14 0.00 -0.74 0.00 0.00 36.82 38.83 1i41 h ILE 382 CO 0.01 0.17 0.42 -2.16 0.00 0.00 0.00 178.15 176.58 1i41 s PRO 383 N -2.04 2.38 0.03 2.37 0.04 -1.26 -4.76 135.00 131.76 1i41 s PRO 383 Ca -0.13 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1i41 s PRO 383 Cb 0.01 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1i41 s PRO 383 CO 0.30 -1.65 0.37 0.71 0.04 0.00 0.00 177.00 176.77 1i41 s TYR 384 N -1.89 3.64 -0.63 0.56 2.02 0.47 -4.84 117.35 116.68 1i41 s TYR 384 Ca 0.75 0.82 -0.23 0.00 -0.37 0.00 0.00 57.07 58.04 1i41 s TYR 384 Cb -0.29 -2.17 0.06 0.00 -0.40 0.00 0.00 41.96 39.16 1i41 s TYR 384 CO 0.42 0.59 0.96 0.42 -1.57 0.00 0.00 175.55 176.37 1i41 s ILE 385 N -1.25 4.34 0.12 2.71 1.01 -1.26 -1.27 121.20 125.61 1i41 s ILE 385 Ca 0.28 -0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 1i41 s ILE 385 Cb -0.15 -4.64 0.08 0.00 0.01 0.00 0.00 42.46 37.76 1i41 s ILE 385 CO 0.15 -1.37 1.07 0.00 0.00 0.00 0.00 174.94 174.79 1i41 s ALA 386 N 4.04 -1.78 1.00 9.38 0.00 -0.87 -4.98 121.76 128.54 1i41 s ALA 386 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1i41 s ALA 386 Cb -0.16 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1i41 s ALA 386 CO 0.12 -1.06 0.00 -2.30 0.00 0.00 0.00 175.76 172.52 1i41 n PRO 387 N -0.58 1.09 -1.42 0.00 -0.02 -1.26 -4.45 135.00 128.37 1i41 n PRO 387 Ca -0.05 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.61 1i41 n PRO 387 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.02 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 0.00 -8.37 -3.61 2.55 2.88 -1.26 -4.94 113.62 100.87 1i41 n SER 388 Ca 0.00 0.89 -0.01 0.00 -1.33 0.00 0.00 58.87 58.42 1i41 n SER 388 Cb 0.00 -4.51 -0.01 0.00 -0.75 0.00 0.00 64.21 58.93 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 -3.01 -0.08 0.00 0.66 -0.12 -1.26 -4.91 117.98 109.26 1i41 s PHE 389 Ca 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1i41 s PHE 389 Cb 0.00 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1i41 s PHE 389 CO 0.00 -0.27 0.00 0.41 -0.05 0.00 0.00 175.22 175.31 1i41 n GLY 390 N -0.35 0.68 3.92 1.99 0.00 -1.26 -4.20 105.19 105.96 1i41 n GLY 390 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.12 1.57 0.39 -0.02 0.00 -1.26 -4.39 107.32 101.49 1i41 s GLY 391 Ca 0.00 -0.68 0.14 0.00 0.00 0.00 0.00 44.72 44.18 1i41 s GLY 391 CO 0.00 -0.45 1.84 0.00 0.00 0.00 0.00 173.10 174.49 1i41 s GLU 393 N -5.53 4.67 0.24 0.00 8.01 -1.26 -0.78 118.70 124.04 1i41 s GLU 393 Ca -0.09 1.61 -0.23 0.00 0.01 0.00 0.00 54.97 56.27 1i41 s GLU 393 Cb 0.23 -3.12 -0.09 0.00 -4.31 0.00 0.00 34.13 26.85 1i41 s GLU 393 CO 0.79 0.30 0.81 -1.12 0.01 0.00 0.00 175.26 176.04 1i41 s SER 394 N -1.13 7.25 -0.00 -0.19 0.01 -1.26 -4.38 113.70 114.00 1i41 s SER 394 Ca 0.45 1.62 0.02 0.00 1.31 0.00 0.00 55.95 59.35 1i41 s SER 394 Cb -0.27 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1i41 s SER 394 CO 0.35 0.06 -0.07 -0.63 0.41 0.00 0.00 173.24 173.36 1i41 s ILE 395 N -1.43 0.54 0.16 1.44 1.01 -0.66 -0.39 121.20 121.87 1i41 s ILE 395 Ca 0.43 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1i41 s ILE 395 Cb -0.19 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1i41 s ILE 395 CO 0.24 0.13 -0.13 0.68 0.00 0.00 0.00 174.94 175.86 1i41 s VAL 396 N -0.22 1.42 -0.16 2.92 -7.23 -0.40 0.41 120.40 117.15 1i41 s VAL 396 Ca 0.02 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 1i41 s VAL 396 Cb -0.03 -1.86 0.13 0.00 0.56 0.00 0.00 36.38 35.18 1i41 s VAL 396 CO -0.00 -0.62 1.04 1.51 -0.31 0.00 0.00 175.10 176.72 1i41 s ASP 397 N -3.08 -0.32 -0.88 4.85 -4.77 -0.90 -2.06 116.67 109.51 1i41 s ASP 397 Ca 0.17 0.31 -0.10 0.00 -3.30 0.00 0.00 52.55 49.63 1i41 s ASP 397 Cb -0.00 0.27 0.23 0.00 -1.09 0.00 0.00 42.92 42.32 1i41 s ASP 397 CO 0.03 -0.32 0.82 -1.58 0.70 0.00 0.00 175.17 174.82 1i41 s GLN 398 N -1.30 3.60 0.12 2.11 0.74 -1.26 -1.68 119.66 121.99 1i41 s GLN 398 Ca 0.00 -2.75 -0.06 0.00 0.05 0.00 0.00 55.36 52.61 1i41 s GLN 398 Cb -0.01 -4.33 0.17 0.00 1.10 0.00 0.00 33.01 29.95 1i41 s GLN 398 CO -0.01 -1.26 0.73 -2.30 -0.55 0.00 0.00 175.29 171.90 1i41 n PRO 399 N 3.42 -0.07 -0.30 1.67 -0.02 -1.26 0.83 135.00 139.27 1i41 n PRO 399 Ca 0.16 0.73 0.01 0.00 -2.02 0.00 0.00 63.50 62.39 1i41 n PRO 399 Cb 0.43 -1.08 0.08 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.81 0.42 0.00 3.55 0.00 -1.85 0.10 119.26 122.29 1i41 h ALA 400 Ca 0.20 0.30 -0.12 0.00 0.00 0.00 0.00 54.91 55.28 1i41 h ALA 400 Cb 0.32 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1i41 h ALA 400 CO -0.48 -0.47 -0.79 0.82 0.00 0.00 0.00 179.25 178.34 1i41 h ILE 401 N -0.02 0.76 -1.01 0.00 2.04 0.10 0.52 117.51 119.89 1i41 h ILE 401 Ca 0.37 -1.83 0.32 0.00 1.00 0.00 0.00 64.86 64.72 1i41 h ILE 401 Cb 0.61 1.69 -0.15 0.00 -0.74 0.00 0.00 36.82 38.23 1i41 h ILE 401 CO -0.86 0.26 0.58 -0.03 0.00 0.00 0.00 178.15 178.09 1i41 h MET 402 N -1.00 0.33 0.00 2.37 4.05 -0.05 -3.21 114.93 117.41 1i41 h MET 402 Ca -0.19 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.14 1i41 h MET 402 Cb 0.97 -0.07 -0.14 0.00 -0.80 0.00 0.00 31.60 31.55 1i41 h MET 402 CO -0.11 0.22 -0.54 0.43 0.23 0.00 0.00 176.91 177.14 1i41 n SER 403 N -5.04 0.14 0.00 1.39 7.64 0.33 -4.89 113.62 113.18 1i41 n SER 403 Ca 0.32 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1i41 n SER 403 Cb 0.98 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.15 0.00 0.30 1.43 4.02 -1.00 -4.89 117.16 117.17 1i41 n TYR 404 Ca -0.03 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.04 1i41 n TYR 404 Cb 0.80 0.04 0.88 0.00 -0.02 0.00 0.00 39.34 41.04 1i41 n TYR 404 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1i41 h TRP 405 N 0.00 0.00 0.00 -0.72 2.91 -0.91 -1.40 115.95 115.83 1i41 h TRP 405 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1i41 h TRP 405 Cb 0.80 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 1i41 h TRP 405 CO 0.00 0.00 0.00 -0.40 -1.03 0.00 0.00 178.44 177.01 1i41 n ASP 406 N -2.82 0.00 -4.73 2.65 5.75 -1.26 -4.79 116.55 111.35 1i41 n ASP 406 Ca -0.01 -0.28 -0.23 0.00 -0.01 0.00 0.00 54.79 54.26 1i41 n ASP 406 Cb 0.14 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 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 -2.33 3.23 0.38 -2.12 1.43 -0.53 -5.13 118.68 113.61 1i41 s LEU 407 Ca 0.25 -0.81 -0.21 0.00 -1.03 0.00 0.00 54.13 52.33 1i41 s LEU 407 Cb 0.14 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.57 1i41 s LEU 407 CO 0.29 -0.31 0.90 -0.94 0.23 0.00 0.00 176.35 176.51 1i41 s SER 408 N -3.84 6.98 0.41 2.29 1.04 -1.26 -4.81 113.70 114.50 1i41 s SER 408 Ca 0.38 1.63 0.23 0.00 0.48 0.00 0.00 55.95 58.67 1i41 s SER 408 Cb -0.02 -2.51 1.27 0.00 0.10 0.00 0.00 66.02 64.86 1i41 s SER 408 CO 0.22 -0.26 1.67 -0.61 0.98 0.00 0.00 173.24 175.24 1i41 h GLN 409 N 2.26 0.21 0.05 4.02 5.75 -1.97 0.90 115.11 126.33 1i41 h GLN 409 Ca -0.48 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 57.91 1i41 h GLN 409 Cb 1.18 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.69 1i41 h GLN 409 CO 0.63 0.14 -0.38 0.66 -2.65 0.00 0.00 178.83 177.23 1i41 h SER 410 N 0.22 0.25 0.40 -0.69 4.64 -1.99 -2.83 113.55 113.55 1i41 h SER 410 Ca 0.74 -0.90 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1i41 h SER 410 Cb 2.08 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1i41 h SER 410 CO -0.43 1.13 -0.08 0.44 -0.87 0.00 0.00 176.83 177.02 1i41 h ASP 411 N -0.58 0.00 0.40 4.97 3.32 -1.12 -2.25 116.42 121.16 1i41 h ASP 411 Ca -0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1i41 h ASP 411 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1i41 h ASP 411 CO 0.07 0.08 -0.19 0.03 -1.72 0.00 0.00 179.24 177.51 1i41 h ARG 412 N 0.00 -0.52 0.00 3.56 3.08 0.65 -3.01 114.38 118.14 1i41 h ARG 412 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1i41 h ARG 412 Cb 0.30 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1i41 h ARG 412 CO 0.01 -0.26 0.09 0.00 -1.07 0.00 0.00 179.97 178.74 1i41 n ALA 413 N -2.67 0.90 0.26 0.04 0.00 -1.06 -1.21 120.51 116.76 1i41 n ALA 413 Ca -0.08 0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.64 1i41 n ALA 413 Cb 0.26 -1.07 0.83 0.00 0.00 0.00 0.00 19.45 19.47 1i41 n ALA 413 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1i41 h LYS 414 N 0.00 0.00 -1.41 0.00 3.64 -1.27 -2.71 116.57 114.82 1i41 h LYS 414 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 1i41 h LYS 414 Cb 0.17 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.59 1i41 h LYS 414 CO 0.00 0.00 -1.17 0.66 -2.27 0.00 0.00 179.45 176.67 1i41 n TYR 415 N -2.64 0.96 0.00 1.91 4.01 -0.35 -4.99 117.16 116.06 1i41 n TYR 415 Ca -0.02 -3.20 0.00 0.00 -0.16 0.00 0.00 57.90 54.52 1i41 n TYR 415 Cb 0.15 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 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 0.04 0.00 3.53 2.72 0.00 -1.02 -4.86 105.19 105.60 1i41 n GLY 416 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1i41 n GLY 416 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i41 n ILE 417 N -0.88 -0.04 -3.93 -0.61 2.08 -1.25 -4.91 119.36 109.83 1i41 n ILE 417 Ca 0.00 -0.52 -0.25 0.00 0.56 0.00 0.00 62.75 62.53 1i41 n ILE 417 Cb 0.00 -2.03 -0.03 0.00 -0.75 0.00 0.00 39.64 36.83 1i41 n ILE 417 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1i41 s MET 418 N 8.38 3.44 0.56 0.38 -1.94 -1.26 -3.77 119.30 125.09 1i41 s MET 418 Ca 1.10 -0.61 0.34 0.00 -1.71 0.00 0.00 55.69 54.82 1i41 s MET 418 Cb -0.55 -2.94 1.43 0.00 2.01 0.00 0.00 34.83 34.78 1i41 s MET 418 CO 0.34 0.50 2.01 -0.44 -0.01 0.00 0.00 175.02 177.42 1i41 h ASP 419 N 1.96 0.00 0.18 3.03 5.19 -1.95 -2.84 116.42 121.99 1i41 h ASP 419 Ca -0.49 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.68 1i41 h ASP 419 Cb 1.20 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.74 1i41 h ASP 419 CO 0.67 0.00 -1.07 0.78 -3.12 0.00 0.00 179.24 176.50 1i41 h ASN 420 N 0.00 0.58 -0.81 6.45 4.21 -1.86 -3.39 115.58 120.76 1i41 h ASN 420 Ca -0.00 -0.94 -0.67 0.00 1.21 0.00 0.00 56.30 55.90 1i41 h ASN 420 Cb 0.48 -0.19 0.03 0.00 -1.12 0.00 0.00 38.32 37.52 1i41 h ASN 420 CO 0.00 1.51 0.28 -0.11 -1.29 0.00 0.00 177.43 177.82 1i41 n LEU 421 N -3.98 0.43 -4.11 1.61 7.94 -1.07 -3.35 117.00 114.47 1i41 n LEU 421 Ca -0.16 0.95 -0.24 0.00 -1.11 0.00 0.00 56.01 55.45 1i41 n LEU 421 Cb 0.92 -0.73 -0.15 0.00 0.53 0.00 0.00 43.42 43.99 1i41 n LEU 421 CO 0.52 -1.16 -0.48 -0.69 -1.11 0.00 0.00 177.39 174.47 1i41 s VAL 422 N 1.08 1.20 -0.27 1.96 1.01 0.12 -4.32 120.40 121.18 1i41 s VAL 422 Ca 0.78 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1i41 s VAL 422 Cb -1.11 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1i41 s VAL 422 CO 0.55 0.35 -0.03 -0.60 0.00 0.00 0.00 175.10 175.37 1i41 s ARG 423 N -0.16 2.77 -0.23 2.72 3.00 -0.67 -0.38 118.95 125.99 1i41 s ARG 423 Ca 0.02 -1.03 -0.05 0.00 -1.00 0.00 0.00 55.73 53.66 1i41 s ARG 423 Cb -0.08 -3.09 -0.02 0.00 0.00 0.00 0.00 34.95 31.77 1i41 s ARG 423 CO 0.00 -0.46 0.00 0.12 0.00 0.00 0.00 175.30 174.97 1i41 s PHE 424 N 1.33 3.01 -0.69 5.12 2.19 0.14 -2.12 117.98 126.96 1i41 s PHE 424 Ca -0.01 -0.71 -0.13 0.00 0.33 0.00 0.00 56.93 56.42 1i41 s PHE 424 Cb -0.17 -2.16 0.18 0.00 -1.31 0.00 0.00 43.02 39.56 1i41 s PHE 424 CO -0.03 -0.46 0.62 0.45 1.83 0.00 0.00 175.22 177.63 1i41 s SER 425 N 1.51 6.32 0.22 6.13 0.15 0.17 -0.43 113.70 127.76 1i41 s SER 425 Ca 0.06 -2.41 -0.32 0.00 0.70 0.00 0.00 55.95 53.98 1i41 s SER 425 Cb -0.15 -2.14 -0.12 0.00 -1.71 0.00 0.00 66.02 61.90 1i41 s SER 425 CO -0.00 -0.63 1.71 -0.36 1.20 0.00 0.00 173.24 175.16 1i41 s PHE 426 N 0.61 2.88 0.00 3.44 0.08 -0.77 -1.65 117.98 122.57 1i41 s PHE 426 Ca 0.13 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.56 1i41 s PHE 426 Cb -0.18 -4.14 0.00 0.00 -0.57 0.00 0.00 43.02 38.13 1i41 s PHE 426 CO -0.04 -4.27 0.00 0.41 -0.10 0.00 0.00 175.22 171.21 1i41 n GLY 427 N 3.79 0.49 0.00 4.36 0.00 -1.26 -4.78 105.19 107.78 1i41 n GLY 427 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.04 -4.55 118.33 115.00 1i41 n VAL 428 Ca 0.00 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 63.92 1i41 n VAL 428 Cb 0.00 1.77 0.15 0.00 -0.91 0.00 0.00 33.84 34.85 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 -0.01 -0.73 -1.76 5.55 4.71 -1.26 -4.83 120.64 122.32 1i41 n GLU 429 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.16 56.56 1i41 n GLU 429 Cb 0.19 -1.92 -0.01 0.00 -1.01 0.00 0.00 31.44 28.70 1i41 n GLU 429 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1i41 n ASP 430 N -2.04 3.66 0.09 1.62 2.03 -1.26 -4.86 116.55 115.79 1i41 n ASP 430 Ca 0.06 1.20 -0.12 0.00 0.52 0.00 0.00 54.79 56.46 1i41 n ASP 430 Cb 0.55 -1.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.29 1i41 n ASP 430 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1i41 h PHE 431 N 3.41 -1.06 -0.89 -0.67 3.57 -1.99 -1.88 116.94 117.43 1i41 h PHE 431 Ca -0.49 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.28 1i41 h PHE 431 Cb 1.24 0.45 -0.14 0.00 2.79 0.00 0.00 35.95 40.30 1i41 h PHE 431 CO 0.54 -0.42 0.30 -0.44 -2.23 0.00 0.00 178.31 176.06 1i41 h ASP 432 N -0.54 0.13 -0.20 0.41 3.32 -1.99 0.19 116.42 117.73 1i41 h ASP 432 Ca -0.01 0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.26 1i41 h ASP 432 Cb 0.54 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1i41 h ASP 432 CO -0.19 -0.12 0.03 0.44 -1.72 0.00 0.00 179.24 177.69 1i41 h ASP 433 N 0.26 -0.01 0.36 6.45 3.32 -1.79 0.06 116.42 125.07 1i41 h ASP 433 Ca 0.57 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.64 1i41 h ASP 433 Cb 1.15 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1i41 h ASP 433 CO -0.62 0.03 -0.18 -0.07 -1.72 0.00 0.00 179.24 176.68 1i41 h LEU 434 N 0.11 -0.41 -0.20 1.55 3.38 0.01 -2.32 115.31 117.43 1i41 h LEU 434 Ca 0.09 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1i41 h LEU 434 Cb 0.09 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1i41 h LEU 434 CO -0.13 -0.16 -0.44 0.50 0.09 0.00 0.00 178.44 178.30 1i41 h LYS 435 N -0.67 -0.45 -0.87 1.13 3.64 -0.70 0.13 116.57 118.78 1i41 h LYS 435 Ca -0.05 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.57 1i41 h LYS 435 Cb 0.48 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.28 1i41 h LYS 435 CO 0.08 -0.30 0.36 0.00 -2.27 0.00 0.00 179.45 177.32 1i41 h ALA 436 N 0.12 1.36 0.56 5.00 0.00 -0.98 0.24 119.26 125.56 1i41 h ALA 436 Ca 0.08 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1i41 h ALA 436 Cb 0.63 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1i41 h ALA 436 CO -0.45 -0.34 -0.27 0.22 0.00 0.00 0.00 179.25 178.41 1i41 h ASP 437 N 0.38 -0.64 -0.52 0.00 3.58 -0.35 -1.68 116.42 117.20 1i41 h ASP 437 Ca 0.54 0.02 0.10 0.00 0.42 0.00 0.00 57.03 58.11 1i41 h ASP 437 Cb 1.01 0.17 -0.11 0.00 1.72 0.00 0.00 39.33 42.12 1i41 h ASP 437 CO -0.53 -0.45 -0.30 0.40 -2.88 0.00 0.00 179.24 175.48 1i41 h ILE 438 N -0.76 0.23 0.15 2.25 2.04 0.19 -1.06 117.51 120.54 1i41 h ILE 438 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1i41 h ILE 438 Cb 0.58 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1i41 h ILE 438 CO 0.13 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 178.02 1i41 h LEU 439 N -0.17 -0.52 -1.20 1.44 3.38 -0.58 -0.78 115.31 116.88 1i41 h LEU 439 Ca 0.22 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.26 1i41 h LEU 439 Cb 0.53 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1i41 h LEU 439 CO -0.61 -0.23 0.64 -0.61 0.09 0.00 0.00 178.44 177.71 1i41 h GLN 440 N -0.34 0.00 0.00 1.13 -0.00 -1.08 1.61 115.11 116.43 1i41 h GLN 440 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.57 1i41 h GLN 440 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 1i41 h GLN 440 CO -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 178.83 178.40 1i41 h ALA 441 N 0.80 0.79 -0.67 3.38 0.00 0.19 -3.22 119.26 120.53 1i41 h ALA 441 Ca 0.04 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 1i41 h ALA 441 Cb 1.31 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 1i41 h ALA 441 CO -0.00 0.34 0.32 1.28 0.00 0.00 0.00 179.25 181.19 1i41 n LEU 442 N -3.12 5.56 -0.02 0.00 4.32 0.55 -3.72 117.00 120.57 1i41 n LEU 442 Ca 0.02 -2.91 0.01 0.00 -0.02 0.00 0.00 56.01 53.12 1i41 n LEU 442 Cb 0.64 -0.73 -0.01 0.00 -1.62 0.00 0.00 43.42 41.71 1i41 n LEU 442 CO 0.38 0.79 0.04 0.47 -1.22 0.00 0.00 177.39 177.85 1i41 n ASP 443 N -0.30 0.33 -1.86 -1.43 9.92 -1.22 -4.48 116.55 117.52 1i41 n ASP 443 Ca 0.38 -0.67 -0.17 0.00 -0.53 0.00 0.00 54.79 53.80 1i41 n ASP 443 Cb 1.28 0.84 0.11 0.00 -0.64 0.00 0.00 41.12 42.71 1i41 n ASP 443 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i41 n SER 444 N -0.86 3.99 0.00 -2.24 7.64 -1.24 -5.15 113.62 115.75 1i41 n SER 444 Ca 0.01 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.77 1i41 n SER 444 Cb 0.05 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65