#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nn3 s ASP 47 N 0.00 -0.23 0.19 6.55 1.01 -1.26 -4.99 116.67 117.93 2nn3 s ASP 47 Ca 0.00 -0.37 0.14 0.00 0.71 0.00 0.00 52.55 53.04 2nn3 s ASP 47 Cb 0.00 0.49 -0.04 0.00 1.01 0.00 0.00 42.92 44.38 2nn3 s ASP 47 CO 0.00 -0.89 1.22 0.03 0.21 0.00 0.00 175.17 175.74 2nn3 h ARG 48 N 2.34 0.00 -2.02 8.23 3.08 -2.07 -3.35 114.38 120.59 2nn3 h ARG 48 Ca -0.33 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 58.97 2nn3 h ARG 48 Cb 1.26 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.02 2nn3 h ARG 48 CO 0.45 0.51 0.82 0.27 -1.07 0.00 0.00 179.97 180.94 2nn3 n ASN 49 N -3.14 7.10 -4.81 7.04 6.94 -1.26 -5.02 115.26 122.12 2nn3 n ASN 49 Ca -0.02 -3.79 -0.38 0.00 -0.02 0.00 0.00 54.58 50.37 2nn3 n ASN 49 Cb 0.80 -1.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.15 2nn3 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nn3 s ALA 50 N -4.06 3.56 0.53 -2.53 0.00 -1.26 -5.00 121.76 113.01 2nn3 s ALA 50 Ca 0.49 0.06 0.25 0.00 0.00 0.00 0.00 51.96 52.75 2nn3 s ALA 50 Cb 0.38 -2.67 1.57 0.00 0.00 0.00 0.00 23.12 22.40 2nn3 s ALA 50 CO -0.32 0.39 2.18 -1.35 0.00 0.00 0.00 175.76 176.66 2nn3 h PRO 51 N 4.32 0.00 -6.26 0.00 0.11 -1.95 -3.46 132.00 124.76 2nn3 h PRO 51 Ca -0.49 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.00 2nn3 h PRO 51 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 2nn3 h PRO 51 CO 0.64 0.04 -0.76 0.71 -0.21 0.00 0.00 178.00 178.41 2nn3 s TYR 52 N -4.66 2.31 0.11 0.65 1.51 -1.26 -0.60 117.35 115.40 2nn3 s TYR 52 Ca -0.05 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 2nn3 s TYR 52 Cb 0.15 -1.02 -0.06 0.00 -0.11 0.00 0.00 41.96 40.92 2nn3 s TYR 52 CO 0.59 0.69 0.82 0.71 -1.11 0.00 0.00 175.55 177.25 2nn3 s TYR 53 N -2.40 3.82 -0.69 2.71 2.02 -0.77 -4.84 117.35 117.20 2nn3 s TYR 53 Ca 0.29 1.61 -0.26 0.00 -0.37 0.00 0.00 57.07 58.34 2nn3 s TYR 53 Cb -0.05 -2.86 -0.06 0.00 -0.40 0.00 0.00 41.96 38.59 2nn3 s TYR 53 CO 0.15 0.34 2.09 1.21 -1.57 0.00 0.00 175.55 177.76 2nn3 s ASN 54 N -0.43 4.84 -0.93 2.29 2.47 -1.26 -4.80 114.94 117.12 2nn3 s ASN 54 Ca 0.39 0.20 -0.01 0.00 0.42 0.00 0.00 52.86 53.86 2nn3 s ASN 54 Cb -0.22 -2.53 0.28 0.00 -1.45 0.00 0.00 41.25 37.32 2nn3 s ASN 54 CO 0.26 -2.81 1.17 0.23 -3.72 0.00 0.00 177.10 172.23 2nn3 n MET 55 N 9.01 3.65 -2.68 0.43 2.81 -1.26 -4.71 117.12 124.37 2nn3 n MET 55 Ca 0.33 -4.58 -0.04 0.00 -1.81 0.00 0.00 57.70 51.60 2nn3 n MET 55 Cb 0.50 -2.43 0.05 0.00 -0.71 0.00 0.00 33.22 30.63 2nn3 n MET 55 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2nn3 n ASN 56 N 1.37 -1.55 -4.81 7.83 6.94 -1.26 -5.06 115.26 118.73 2nn3 n ASN 56 Ca 0.27 -1.38 -0.22 0.00 -0.02 0.00 0.00 54.58 53.23 2nn3 n ASN 56 Cb 0.36 0.81 -0.05 0.00 -2.36 0.00 0.00 39.78 38.54 2nn3 n ASN 56 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2nn3 s HIS 57 N 0.69 2.94 0.01 -2.53 3.76 -1.26 -5.00 115.29 113.90 2nn3 s HIS 57 Ca 0.25 -0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 54.92 2nn3 s HIS 57 Cb 0.15 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 32.28 2nn3 s HIS 57 CO -0.10 0.37 0.06 1.63 -0.85 0.00 0.00 174.74 175.85 2nn3 n LYS 58 N -1.23 -0.01 -4.31 1.40 5.02 -1.23 -4.34 118.16 113.46 2nn3 n LYS 58 Ca -0.05 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 2nn3 n LYS 58 Cb 0.59 -0.09 -0.10 0.00 -0.02 0.00 0.00 35.03 35.42 2nn3 n LYS 58 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2nn3 s HIS 59 N -5.04 1.52 -0.10 2.13 3.76 -0.82 -5.08 115.29 111.67 2nn3 s HIS 59 Ca -0.01 -0.70 -0.27 0.00 -0.15 0.00 0.00 55.06 53.94 2nn3 s HIS 59 Cb 0.01 -0.76 -0.23 0.00 1.11 0.00 0.00 32.58 32.71 2nn3 s HIS 59 CO 0.03 0.20 0.90 -0.09 -0.85 0.00 0.00 174.74 174.93 2nn3 h ARG 60 N 2.62 -0.02 0.00 1.40 9.65 -1.76 -2.63 114.38 123.65 2nn3 h ARG 60 Ca -0.38 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 2nn3 h ARG 60 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2nn3 h ARG 60 CO 0.63 0.76 0.00 0.41 2.80 0.00 0.00 179.97 184.57 2nn3 n GLY 61 N 1.12 3.51 3.74 2.80 0.00 -1.26 -0.13 105.19 114.97 2nn3 n GLY 61 Ca -0.09 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2nn3 n GLY 61 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nn3 s MET 62 N -2.31 4.44 -0.18 1.61 -1.94 -1.26 -2.10 119.30 117.56 2nn3 s MET 62 Ca 0.00 0.94 -0.06 0.00 -1.71 0.00 0.00 55.69 54.86 2nn3 s MET 62 Cb 0.00 -3.38 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 2nn3 s MET 62 CO 0.00 0.24 0.02 0.00 -0.01 0.00 0.00 175.02 175.27 2nn3 s ALA 63 N 0.16 3.21 -0.12 3.03 0.00 -1.09 -1.84 121.76 125.10 2nn3 s ALA 63 Ca 0.37 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2nn3 s ALA 63 Cb -0.19 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.15 2nn3 s ALA 63 CO 0.20 0.10 -0.16 0.96 0.00 0.00 0.00 175.76 176.87 2nn3 s ILE 64 N 0.53 1.58 -0.22 0.00 -4.36 -0.82 -0.99 121.20 116.93 2nn3 s ILE 64 Ca 0.01 -0.68 -0.04 0.00 -0.26 0.00 0.00 60.65 59.67 2nn3 s ILE 64 Cb -0.13 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 42.12 2nn3 s ILE 64 CO 0.02 0.46 -0.05 -0.63 0.24 0.00 0.00 174.94 174.98 2nn3 s ILE 65 N 1.03 3.36 -0.30 8.37 1.01 0.49 -1.57 121.20 133.60 2nn3 s ILE 65 Ca -0.05 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 2nn3 s ILE 65 Cb -0.15 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 2nn3 s ILE 65 CO -0.03 0.43 0.21 -0.36 0.00 0.00 0.00 174.94 175.19 2nn3 s PHE 66 N 1.45 3.22 -0.22 3.97 0.40 0.86 -0.81 117.98 126.84 2nn3 s PHE 66 Ca 0.05 0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 2nn3 s PHE 66 Cb -0.14 -2.41 0.04 0.00 0.51 0.00 0.00 43.02 41.02 2nn3 s PHE 66 CO -0.03 -0.22 -0.15 1.21 0.70 0.00 0.00 175.22 176.73 2nn3 s ASN 67 N 1.75 3.78 -0.19 1.36 3.04 -0.73 -0.05 114.94 123.89 2nn3 s ASN 67 Ca 0.07 -1.02 -0.02 0.00 0.04 0.00 0.00 52.86 51.93 2nn3 s ASN 67 Cb -0.16 -1.49 -0.00 0.00 -1.54 0.00 0.00 41.25 38.05 2nn3 s ASN 67 CO 0.11 -0.10 -0.10 -1.00 -3.04 0.00 0.00 177.10 172.97 2nn3 s HIS 68 N 1.21 2.89 -0.10 0.43 3.76 -0.08 -0.68 115.29 122.71 2nn3 s HIS 68 Ca -0.02 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 53.85 2nn3 s HIS 68 Cb -0.17 -2.01 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 2nn3 s HIS 68 CO -0.09 -0.54 -0.10 -1.91 -0.85 0.00 0.00 174.74 171.26 2nn3 n GLU 69 N 4.51 0.25 -4.68 1.40 2.13 -1.26 -4.58 120.64 118.40 2nn3 n GLU 69 Ca -0.19 0.06 -0.30 0.00 0.66 0.00 0.00 57.16 57.39 2nn3 n GLU 69 Cb 0.51 -1.16 -0.13 0.00 0.27 0.00 0.00 31.44 30.92 2nn3 n GLU 69 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2nn3 s HIS 70 N -2.20 2.43 -0.12 4.31 3.76 -1.26 0.11 115.29 122.32 2nn3 s HIS 70 Ca -0.14 -0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 54.43 2nn3 s HIS 70 Cb 0.04 -1.39 0.03 0.00 1.11 0.00 0.00 32.58 32.36 2nn3 s HIS 70 CO 0.23 0.23 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.22 2nn3 s PHE 71 N -0.92 1.50 0.00 1.40 0.40 -1.26 -4.69 117.98 114.41 2nn3 s PHE 71 Ca 0.14 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.68 2nn3 s PHE 71 Cb -0.10 -1.24 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 2nn3 s PHE 71 CO 0.05 -0.53 1.31 -0.25 0.70 0.00 0.00 175.22 176.50 2nn3 n ASP 72 N 4.94 3.06 -3.82 1.36 8.00 0.41 -4.54 116.55 125.95 2nn3 n ASP 72 Ca -0.12 -1.84 -0.29 0.00 0.71 0.00 0.00 54.79 53.24 2nn3 n ASP 72 Cb 0.50 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.12 40.76 2nn3 n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2nn3 s ILE 73 N 1.00 0.97 -0.10 0.53 1.01 -1.26 -4.83 121.20 118.52 2nn3 s ILE 73 Ca 0.06 -0.92 -0.36 0.00 0.00 0.00 0.00 60.65 59.43 2nn3 s ILE 73 Cb 0.03 -1.41 -0.17 0.00 0.01 0.00 0.00 42.46 40.91 2nn3 s ILE 73 CO 0.00 -0.22 1.02 0.00 0.00 0.00 0.00 174.94 175.75 2nn3 n HIS 74 N 4.87 0.77 -0.92 3.97 1.44 -1.26 -2.30 115.22 121.80 2nn3 n HIS 74 Ca -0.09 0.93 0.00 0.00 -2.01 0.00 0.00 57.72 56.54 2nn3 n HIS 74 Cb 0.45 -1.82 0.00 0.00 0.12 0.00 0.00 29.99 28.74 2nn3 n HIS 74 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2nn3 n SER 75 N 1.78 -1.71 -4.56 4.39 3.41 -1.26 -4.96 113.62 110.71 2nn3 n SER 75 Ca 0.19 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.37 2nn3 n SER 75 Cb 0.04 -1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 62.95 2nn3 n SER 75 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2nn3 s LEU 76 N 0.00 4.02 0.46 1.04 0.20 -0.97 -5.02 118.68 118.40 2nn3 s LEU 76 Ca 0.00 0.11 -0.23 0.00 0.69 0.00 0.00 54.13 54.70 2nn3 s LEU 76 Cb 0.00 -3.19 -0.09 0.00 -0.43 0.00 0.00 46.19 42.48 2nn3 s LEU 76 CO 0.00 -1.04 1.06 0.29 -0.29 0.00 0.00 176.35 176.37 2nn3 n LYS 77 N 7.14 1.40 -2.01 1.98 4.01 -1.26 -4.73 118.16 124.70 2nn3 n LYS 77 Ca 0.06 0.51 -0.37 0.00 -0.51 0.00 0.00 58.31 58.00 2nn3 n LYS 77 Cb 0.48 -2.15 0.02 0.00 -0.51 0.00 0.00 35.03 32.88 2nn3 n LYS 77 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2nn3 s SER 78 N -0.79 5.51 -0.61 4.39 0.15 -1.26 -4.90 113.70 116.19 2nn3 s SER 78 Ca 0.65 2.49 -0.17 0.00 0.70 0.00 0.00 55.95 59.62 2nn3 s SER 78 Cb -0.52 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 61.31 2nn3 s SER 78 CO 0.55 -1.38 0.64 -0.13 1.20 0.00 0.00 173.24 174.12 2nn3 s ARG 79 N -3.00 3.11 -0.06 5.44 0.52 0.31 -5.02 118.95 120.25 2nn3 s ARG 79 Ca 0.71 -1.64 -0.21 0.00 -0.52 0.00 0.00 55.73 54.07 2nn3 s ARG 79 Cb -0.33 -4.33 -0.04 0.00 0.52 0.00 0.00 34.95 30.77 2nn3 s ARG 79 CO 0.38 -1.43 0.60 0.99 0.02 0.00 0.00 175.30 175.86 2nn3 s THR 80 N 1.93 5.04 -0.67 0.02 2.01 -1.26 -3.60 115.64 119.11 2nn3 s THR 80 Ca 0.09 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.32 2nn3 s THR 80 Cb -0.24 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2nn3 s THR 80 CO 0.02 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2nn3 n GLY 81 N 2.93 0.63 0.27 4.40 0.00 -1.23 -4.08 105.19 108.10 2nn3 n GLY 81 Ca -0.05 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.41 2nn3 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nn3 h THR 82 N 0.00 0.48 -0.04 2.61 1.03 -1.88 -2.30 112.91 112.81 2nn3 h THR 82 Ca -0.15 -0.52 -0.13 0.00 -0.01 0.00 0.00 66.41 65.60 2nn3 h THR 82 Cb 0.67 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.09 2nn3 h THR 82 CO 0.20 0.10 -0.59 0.78 -0.01 0.00 0.00 175.52 176.00 2nn3 h ASN 83 N 0.00 0.16 0.67 0.00 4.21 -1.89 -1.35 115.58 117.38 2nn3 h ASN 83 Ca -0.00 -0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.39 2nn3 h ASN 83 Cb 0.34 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.51 2nn3 h ASN 83 CO 0.01 0.71 -0.32 0.58 -1.29 0.00 0.00 177.43 177.12 2nn3 h VAL 84 N 0.10 0.30 -0.14 2.81 2.07 -1.91 -0.66 116.25 118.82 2nn3 h VAL 84 Ca -0.00 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2nn3 h VAL 84 Cb 1.06 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2nn3 h VAL 84 CO 0.08 0.01 -0.35 0.44 0.02 0.00 0.00 177.57 177.78 2nn3 h ASP 85 N -0.98 -1.10 -0.22 0.57 3.32 -1.61 0.16 116.42 116.57 2nn3 h ASP 85 Ca -0.09 0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.17 2nn3 h ASP 85 Cb 0.71 0.46 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 2nn3 h ASP 85 CO 0.15 -0.38 -0.20 -1.28 -1.72 0.00 0.00 179.24 175.81 2nn3 h SER 86 N -0.42 -0.66 0.75 6.45 0.87 -1.24 0.11 113.55 119.42 2nn3 h SER 86 Ca 0.09 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 2nn3 h SER 86 Cb 0.57 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2nn3 h SER 86 CO -0.38 -0.25 -0.36 0.44 -0.53 0.00 0.00 176.83 175.76 2nn3 h ASP 87 N -0.21 0.00 -0.05 6.23 3.32 -0.91 0.29 116.42 125.09 2nn3 h ASP 87 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2nn3 h ASP 87 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2nn3 h ASP 87 CO -0.35 0.36 -0.04 -1.13 -1.72 0.00 0.00 179.24 176.36 2nn3 h ASN 88 N 0.00 0.12 0.05 6.45 -1.24 0.18 -2.35 115.58 118.79 2nn3 h ASN 88 Ca -0.00 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.54 2nn3 h ASN 88 Cb 0.83 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.84 2nn3 h ASN 88 CO 0.05 0.56 -0.05 0.25 -1.29 0.00 0.00 177.43 176.95 2nn3 h LEU 89 N -0.32 -0.12 -0.34 0.34 5.85 -0.54 -2.86 115.31 117.32 2nn3 h LEU 89 Ca 0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2nn3 h LEU 89 Cb 0.53 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 2nn3 h LEU 89 CO 0.01 -0.08 -0.14 -1.28 -0.34 0.00 0.00 178.44 176.61 2nn3 h SER 90 N -0.11 -0.49 -0.05 1.25 0.87 -0.45 -2.12 113.55 112.46 2nn3 h SER 90 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2nn3 h SER 90 Cb 0.11 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2nn3 h SER 90 CO -0.01 -0.18 -0.03 1.17 -0.53 0.00 0.00 176.83 177.25 2nn3 n LYS 91 N -5.33 -0.02 -0.33 2.24 4.81 -0.89 -2.49 118.16 116.15 2nn3 n LYS 91 Ca 0.01 0.95 -0.04 0.00 -0.87 0.00 0.00 58.31 58.36 2nn3 n LYS 91 Cb 0.24 -1.42 0.09 0.00 0.02 0.00 0.00 35.03 33.96 2nn3 n LYS 91 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2nn3 h VAL 92 N 0.00 1.26 0.00 3.15 3.04 -1.21 -2.42 116.25 120.07 2nn3 h VAL 92 Ca 0.01 -0.63 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 2nn3 h VAL 92 Cb 0.02 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.33 2nn3 h VAL 92 CO -0.04 0.29 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.59 2nn3 h LEU 93 N 1.25 0.00 0.10 3.16 3.38 -1.15 -0.81 115.31 121.24 2nn3 h LEU 93 Ca 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2nn3 h LEU 93 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2nn3 h LEU 93 CO -0.05 0.14 -0.05 0.11 0.09 0.00 0.00 178.44 178.68 2nn3 h LYS 94 N 0.00 -0.13 0.00 1.13 1.79 -1.12 -0.32 116.57 117.93 2nn3 h LYS 94 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2nn3 h LYS 94 Cb 0.28 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2nn3 h LYS 94 CO 0.02 -0.04 0.00 1.79 -1.08 0.00 0.00 179.45 180.14 2nn3 h THR 95 N -0.18 0.00 -0.00 -0.16 1.35 -1.16 0.61 112.91 113.36 2nn3 h THR 95 Ca -0.01 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2nn3 h THR 95 Cb 0.15 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2nn3 h THR 95 CO 0.02 0.00 -0.37 0.18 -0.25 0.00 0.00 175.52 175.10 2nn3 n LEU 96 N -2.81 0.41 0.00 3.87 4.77 -0.68 -4.96 117.00 117.60 2nn3 n LEU 96 Ca -0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2nn3 n LEU 96 Cb 0.20 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2nn3 n LEU 96 CO 0.22 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2nn3 n GLY 97 N 1.49 0.68 3.78 -0.72 0.00 0.21 -4.97 105.19 105.66 2nn3 n GLY 97 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2nn3 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nn3 s PHE 98 N -2.00 3.16 -0.66 1.61 0.40 -0.17 -4.12 117.98 116.20 2nn3 s PHE 98 Ca 0.00 1.61 -0.21 0.00 -0.60 0.00 0.00 56.93 57.74 2nn3 s PHE 98 Cb 0.00 -3.18 0.09 0.00 0.51 0.00 0.00 43.02 40.44 2nn3 s PHE 98 CO 0.00 -0.84 0.88 0.21 0.70 0.00 0.00 175.22 176.18 2nn3 s LYS 99 N -2.59 3.14 0.27 0.44 2.36 -0.89 -4.24 119.74 118.23 2nn3 s LYS 99 Ca 0.60 -1.13 -0.18 0.00 -2.55 0.00 0.00 55.97 52.71 2nn3 s LYS 99 Cb -0.23 -4.31 -0.09 0.00 -1.05 0.00 0.00 37.83 32.15 2nn3 s LYS 99 CO 0.29 -1.71 0.73 0.08 1.55 0.00 0.00 175.35 176.29 2nn3 s VAL 100 N 3.37 4.61 -0.04 4.02 1.01 -1.25 -2.68 120.40 129.44 2nn3 s VAL 100 Ca 0.19 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 2nn3 s VAL 100 Cb -0.18 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2nn3 s VAL 100 CO 0.06 0.04 0.02 -0.89 0.00 0.00 0.00 175.10 174.33 2nn3 s THR 101 N -1.72 0.09 -0.20 3.92 2.01 -0.16 -4.94 115.64 114.64 2nn3 s THR 101 Ca 0.48 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 2nn3 s THR 101 Cb -0.14 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 2nn3 s THR 101 CO 0.19 0.16 0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 2nn3 s VAL 102 N 1.52 5.31 -0.30 3.82 1.01 -1.26 -0.38 120.40 130.11 2nn3 s VAL 102 Ca -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 2nn3 s VAL 102 Cb -0.13 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 32.90 2nn3 s VAL 102 CO -0.03 0.44 -0.01 -0.36 0.00 0.00 0.00 175.10 175.15 2nn3 s PHE 103 N 0.35 3.32 -0.09 5.22 0.40 0.01 -4.95 117.98 122.24 2nn3 s PHE 103 Ca 0.07 -2.10 -0.24 0.00 -0.60 0.00 0.00 56.93 54.06 2nn3 s PHE 103 Cb -0.11 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 2nn3 s PHE 103 CO -0.02 -0.84 0.76 -2.14 0.70 0.00 0.00 175.22 173.68 2nn3 s PRO 104 N 1.18 4.40 -1.17 0.24 0.02 -1.26 -1.77 135.00 136.64 2nn3 s PRO 104 Ca -0.04 0.96 -0.08 0.00 0.02 0.00 0.00 61.00 61.85 2nn3 s PRO 104 Cb -0.20 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 30.81 2nn3 s PRO 104 CO -0.03 -0.07 0.82 0.09 -0.33 0.00 0.00 177.00 177.49 2nn3 n ASN 105 N 4.24 -4.20 -4.84 2.53 3.02 0.14 -4.96 115.26 111.19 2nn3 n ASN 105 Ca 0.01 -0.83 -0.34 0.00 -0.03 0.00 0.00 54.58 53.39 2nn3 n ASN 105 Cb 0.51 -4.32 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 2nn3 n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2nn3 s LEU 106 N -6.18 4.23 0.50 3.41 1.43 -1.26 -4.71 118.68 116.10 2nn3 s LEU 106 Ca 0.29 1.19 -0.22 0.00 -1.03 0.00 0.00 54.13 54.36 2nn3 s LEU 106 Cb -0.07 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 2nn3 s LEU 106 CO 0.80 -0.03 1.19 -0.54 0.23 0.00 0.00 176.35 177.99 2nn3 s LYS 107 N -2.41 3.52 0.26 1.70 1.02 -1.26 -1.74 119.74 120.83 2nn3 s LYS 107 Ca 0.45 1.80 -0.02 0.00 0.02 0.00 0.00 55.97 58.23 2nn3 s LYS 107 Cb -0.13 -2.26 0.53 0.00 -0.52 0.00 0.00 37.83 35.45 2nn3 s LYS 107 CO 0.20 -0.76 1.70 1.03 -0.92 0.00 0.00 175.35 176.60 2nn3 h SER 108 N 1.69 0.18 -0.64 2.83 0.87 -1.90 -1.08 113.55 115.50 2nn3 h SER 108 Ca -0.50 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 2nn3 h SER 108 Cb 1.26 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.34 2nn3 h SER 108 CO 0.59 0.02 0.33 -0.08 -0.53 0.00 0.00 176.83 177.16 2nn3 h GLU 109 N 0.36 0.93 -0.55 2.24 4.81 -1.97 -3.01 114.58 117.39 2nn3 h GLU 109 Ca 0.45 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2nn3 h GLU 109 Cb 0.78 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2nn3 h GLU 109 CO -0.49 0.70 0.06 0.93 -0.73 0.00 0.00 179.01 179.49 2nn3 h GLU 110 N 0.93 0.93 -0.54 1.92 5.08 -1.56 -2.50 114.58 118.84 2nn3 h GLU 110 Ca 0.23 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2nn3 h GLU 110 Cb 0.07 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2nn3 h GLU 110 CO -0.03 0.91 0.19 0.82 -1.00 0.00 0.00 179.01 179.89 2nn3 h ILE 111 N 0.82 0.80 -0.31 3.13 2.04 -1.39 0.37 117.51 122.96 2nn3 h ILE 111 Ca 0.16 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2nn3 h ILE 111 Cb 0.45 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2nn3 h ILE 111 CO 0.02 0.07 0.17 -1.13 0.00 0.00 0.00 178.15 177.27 2nn3 h ASN 112 N 0.36 0.37 -0.19 1.72 -0.73 -1.51 0.14 115.58 115.75 2nn3 h ASN 112 Ca 0.26 -0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.32 2nn3 h ASN 112 Cb 0.31 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 2nn3 h ASN 112 CO -0.28 0.30 -0.24 0.07 -0.37 0.00 0.00 177.43 176.92 2nn3 h LYS 113 N 0.43 0.50 0.07 6.67 2.10 -0.53 -2.17 116.57 123.63 2nn3 h LYS 113 Ca 0.11 -0.28 -0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2nn3 h LYS 113 Cb 0.02 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2nn3 h LYS 113 CO -0.02 0.87 -0.03 0.74 -2.00 0.00 0.00 179.45 179.01 2nn3 h PHE 114 N 0.16 -0.09 -0.64 0.07 0.04 -0.82 0.04 116.94 115.70 2nn3 h PHE 114 Ca 0.02 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.93 2nn3 h PHE 114 Cb 0.80 0.03 -0.12 0.00 2.20 0.00 0.00 35.95 38.86 2nn3 h PHE 114 CO 0.09 0.39 -0.10 0.82 -0.60 0.00 0.00 178.31 178.91 2nn3 h ILE 115 N -0.61 0.39 -0.17 -0.55 1.08 -0.81 0.69 117.51 117.52 2nn3 h ILE 115 Ca -0.01 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2nn3 h ILE 115 Cb 0.52 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 2nn3 h ILE 115 CO 0.02 0.01 0.03 -0.61 -0.69 0.00 0.00 178.15 176.90 2nn3 h GLN 116 N 0.04 0.28 0.00 2.37 4.15 -1.37 0.41 115.11 120.98 2nn3 h GLN 116 Ca 0.32 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2nn3 h GLN 116 Cb 0.51 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2nn3 h GLN 116 CO -0.63 0.45 0.00 0.94 -1.93 0.00 0.00 178.83 177.66 2nn3 n GLN 117 N -4.78 0.18 -0.00 1.69 7.27 -0.00 -1.66 117.38 120.08 2nn3 n GLN 117 Ca -0.05 0.49 -0.06 0.00 0.07 0.00 0.00 57.00 57.45 2nn3 n GLN 117 Cb 0.18 -1.90 -0.05 0.00 2.41 0.00 0.00 30.24 30.88 2nn3 n GLN 117 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 2nn3 h THR 118 N 0.00 0.56 0.00 1.69 2.02 0.11 -3.34 112.91 113.95 2nn3 h THR 118 Ca 0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2nn3 h THR 118 Cb 0.26 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2nn3 h THR 118 CO 0.00 0.17 0.34 0.00 0.37 0.00 0.00 175.52 176.40 2nn3 n ALA 119 N -2.69 0.47 -2.53 6.16 0.00 0.06 -2.29 120.51 119.70 2nn3 n ALA 119 Ca -0.05 0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2nn3 n ALA 119 Cb 0.19 -0.54 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 2nn3 n ALA 119 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2nn3 n GLU 120 N -1.62 3.56 -4.19 0.00 0.28 -0.84 -4.69 120.64 113.14 2nn3 n GLU 120 Ca -0.00 -4.44 -0.11 0.00 -0.16 0.00 0.00 57.16 52.44 2nn3 n GLU 120 Cb 0.34 -2.29 -0.10 0.00 1.43 0.00 0.00 31.44 30.83 2nn3 n GLU 120 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2nn3 s MET 121 N -3.76 0.91 -1.21 3.44 1.00 -0.97 -5.00 119.30 113.71 2nn3 s MET 121 Ca 0.48 -1.39 -0.20 0.00 0.00 0.00 0.00 55.69 54.58 2nn3 s MET 121 Cb 0.34 -0.20 0.06 0.00 0.00 0.00 0.00 34.83 35.03 2nn3 s MET 121 CO -0.21 -0.06 1.66 0.34 0.00 0.00 0.00 175.02 176.75 2nn3 s ASP 122 N -3.08 6.67 0.00 3.03 2.15 -1.26 -4.80 116.67 119.39 2nn3 s ASP 122 Ca 0.15 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 51.03 2nn3 s ASP 122 Cb 0.06 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2nn3 s ASP 122 CO -0.02 -1.34 0.76 1.41 -0.17 0.00 0.00 175.17 175.80 2nn3 n HIS 123 N 8.77 0.00 0.01 -5.34 8.25 -1.26 -4.17 115.22 121.48 2nn3 n HIS 123 Ca 0.44 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 58.03 2nn3 n HIS 123 Cb 0.48 -0.00 0.57 0.00 1.12 0.00 0.00 29.99 32.16 2nn3 n HIS 123 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2nn3 h SER 124 N 0.00 0.20 -0.18 0.41 0.02 -1.87 0.25 113.55 112.38 2nn3 h SER 124 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nn3 h SER 124 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2nn3 h SER 124 CO 0.00 0.13 0.00 0.47 -1.14 0.00 0.00 176.83 176.29 2nn3 n ASP 125 N -4.46 1.47 -4.77 3.07 8.00 -1.26 -4.94 116.55 113.67 2nn3 n ASP 125 Ca 0.07 -1.74 -0.34 0.00 0.71 0.00 0.00 54.79 53.49 2nn3 n ASP 125 Cb 0.36 -0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.27 2nn3 n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nn3 s ALA 126 N -1.77 3.55 0.11 2.24 0.00 0.89 -1.95 121.76 124.83 2nn3 s ALA 126 Ca 0.29 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.52 2nn3 s ALA 126 Cb 0.15 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 2nn3 s ALA 126 CO 0.23 0.65 1.37 -0.44 0.00 0.00 0.00 175.76 177.57 2nn3 h ASP 127 N 4.53 0.00 0.00 0.00 3.32 -0.13 -3.47 116.42 120.67 2nn3 h ASP 127 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2nn3 h ASP 127 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2nn3 h ASP 127 CO 0.59 0.86 0.00 0.00 -1.72 0.00 0.00 179.24 178.97 2nn3 s LEU 129 N 0.00 -0.27 -0.01 0.00 2.96 -1.01 -4.27 118.68 116.08 2nn3 s LEU 129 Ca 0.00 1.17 0.05 0.00 -0.22 0.00 0.00 54.13 55.13 2nn3 s LEU 129 Cb 0.00 1.94 -0.01 0.00 0.50 0.00 0.00 46.19 48.62 2nn3 s LEU 129 CO 0.00 -0.20 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.44 2nn3 s LEU 130 N 0.62 2.03 -0.06 -0.68 0.20 -0.77 -0.32 118.68 119.71 2nn3 s LEU 130 Ca -0.03 -0.30 -0.00 0.00 0.69 0.00 0.00 54.13 54.49 2nn3 s LEU 130 Cb -0.05 -0.86 0.03 0.00 -0.43 0.00 0.00 46.19 44.88 2nn3 s LEU 130 CO -0.04 0.21 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.53 2nn3 s VAL 131 N -0.39 0.38 0.06 1.68 1.01 -0.07 -1.94 120.40 121.13 2nn3 s VAL 131 Ca 0.06 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.19 2nn3 s VAL 131 Cb -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2nn3 s VAL 131 CO -0.01 0.23 -0.27 0.00 0.00 0.00 0.00 175.10 175.06 2nn3 s ALA 132 N 1.49 2.28 -0.05 5.51 0.00 -0.61 -0.85 121.76 129.53 2nn3 s ALA 132 Ca -0.02 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.64 2nn3 s ALA 132 Cb -0.13 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2nn3 s ALA 132 CO -0.03 0.53 -0.06 0.08 0.00 0.00 0.00 175.76 176.29 2nn3 s VAL 133 N -0.85 0.64 -0.17 0.00 1.01 0.19 -0.10 120.40 121.13 2nn3 s VAL 133 Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2nn3 s VAL 133 Cb -0.10 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.66 2nn3 s VAL 133 CO 0.03 0.25 -0.15 -0.76 0.00 0.00 0.00 175.10 174.46 2nn3 s LEU 134 N 0.90 1.92 0.00 3.92 1.02 0.92 -0.96 118.68 126.41 2nn3 s LEU 134 Ca -0.11 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 53.44 2nn3 s LEU 134 Cb -0.15 -1.28 0.00 0.00 0.02 0.00 0.00 46.19 44.78 2nn3 s LEU 134 CO 0.01 -0.05 0.00 1.07 0.02 0.00 0.00 176.35 177.39 2nn3 n THR 135 N 4.71 0.00 -4.02 5.49 5.66 0.22 -0.90 114.28 125.43 2nn3 n THR 135 Ca -0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 2nn3 n THR 135 Cb 0.49 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 2nn3 n THR 135 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2nn3 s ALA 136 N -1.00 3.75 0.00 1.79 0.00 -1.26 -2.61 121.76 122.43 2nn3 s ALA 136 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2nn3 s ALA 136 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2nn3 s ALA 136 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.65 2nn3 n GLY 137 N -0.55 0.96 3.76 0.00 0.00 -1.17 -1.88 105.19 106.31 2nn3 n GLY 137 Ca -0.08 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 43.74 2nn3 n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nn3 n GLU 138 N -0.91 -0.20 -0.03 1.61 0.28 -0.98 -3.84 120.64 116.58 2nn3 n GLU 138 Ca 0.00 -2.57 0.17 0.00 -0.16 0.00 0.00 57.16 54.60 2nn3 n GLU 138 Cb 0.00 -0.70 0.63 0.00 1.43 0.00 0.00 31.44 32.79 2nn3 n GLU 138 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2nn3 h LEU 139 N 0.00 0.13 -2.64 -1.84 5.85 -1.93 -3.26 115.31 111.62 2nn3 h LEU 139 Ca -0.33 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2nn3 h LEU 139 Cb 1.18 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2nn3 h LEU 139 CO 0.34 0.07 -0.11 0.61 -0.34 0.00 0.00 178.44 179.01 2nn3 n GLY 140 N -1.60 3.02 2.90 3.75 0.00 -1.26 -3.79 105.19 108.21 2nn3 n GLY 140 Ca 0.10 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 2nn3 n GLY 140 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nn3 s MET 141 N -1.71 0.21 0.09 1.61 -1.94 -1.23 -4.64 119.30 111.69 2nn3 s MET 141 Ca 0.17 0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 54.61 2nn3 s MET 141 Cb 0.15 -0.56 -0.05 0.00 2.01 0.00 0.00 34.83 36.38 2nn3 s MET 141 CO 0.02 -0.49 0.32 -0.51 -0.01 0.00 0.00 175.02 174.34 2nn3 s LEU 142 N 2.41 4.31 -0.02 -0.03 1.43 -0.22 -2.33 118.68 124.24 2nn3 s LEU 142 Ca 0.06 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2nn3 s LEU 142 Cb -0.14 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2nn3 s LEU 142 CO -0.11 0.13 0.16 -0.31 0.23 0.00 0.00 176.35 176.45 2nn3 s TYR 143 N -1.53 3.51 0.24 0.29 1.51 -0.79 -0.06 117.35 120.53 2nn3 s TYR 143 Ca 0.36 0.35 0.01 0.00 -1.01 0.00 0.00 57.07 56.78 2nn3 s TYR 143 Cb -0.13 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 2nn3 s TYR 143 CO 0.23 0.64 0.07 0.00 -1.11 0.00 0.00 175.55 175.38 2nn3 n ALA 144 N 1.06 0.27 -0.03 3.71 0.00 -0.25 -4.62 120.51 120.65 2nn3 n ALA 144 Ca -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 53.44 52.26 2nn3 n ALA 144 Cb 0.53 0.51 0.21 0.00 0.00 0.00 0.00 19.45 20.70 2nn3 n ALA 144 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2nn3 h LYS 145 N 0.00 0.60 0.00 0.00 3.64 -1.61 -3.30 116.57 115.89 2nn3 h LYS 145 Ca -0.18 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 2nn3 h LYS 145 Cb 0.59 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2nn3 h LYS 145 CO 0.29 0.70 -0.48 0.38 -2.27 0.00 0.00 179.45 178.07 2nn3 h ASP 146 N 0.55 0.00 -5.39 4.20 3.04 -1.88 0.12 116.42 117.06 2nn3 h ASP 146 Ca 0.10 -0.12 -0.14 0.00 -3.24 0.00 0.00 57.03 53.63 2nn3 h ASP 146 Cb 0.51 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 38.70 2nn3 h ASP 146 CO 0.03 0.81 -0.28 0.28 -2.04 0.00 0.00 179.24 178.04 2nn3 s THR 147 N -2.11 0.00 0.70 1.15 -1.32 -1.25 -4.65 115.64 108.17 2nn3 s THR 147 Ca -0.14 -1.62 -0.11 0.00 -1.21 0.00 0.00 61.69 58.61 2nn3 s THR 147 Cb 0.02 -2.35 0.01 0.00 -1.51 0.00 0.00 72.50 68.67 2nn3 s THR 147 CO 0.24 0.00 1.10 -1.38 -2.21 0.00 0.00 174.62 172.37 2nn3 s HIS 148 N -3.93 3.32 0.20 9.09 -3.43 -1.26 -1.09 115.29 118.19 2nn3 s HIS 148 Ca 0.29 1.04 -0.13 0.00 -0.80 0.00 0.00 55.06 55.46 2nn3 s HIS 148 Cb 0.02 -3.07 0.00 0.00 -1.43 0.00 0.00 32.58 28.10 2nn3 s HIS 148 CO 0.12 -1.18 0.41 1.52 -2.00 0.00 0.00 174.74 173.61 2nn3 s TYR 149 N -3.36 0.23 -0.10 0.38 -0.85 0.92 -4.89 117.35 109.69 2nn3 s TYR 149 Ca 0.58 -0.59 -0.25 0.00 -0.52 0.00 0.00 57.07 56.29 2nn3 s TYR 149 Cb -0.11 0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 2nn3 s TYR 149 CO 0.52 -0.85 0.80 0.15 -1.52 0.00 0.00 175.55 174.65 2nn3 s LYS 150 N -3.95 4.40 0.53 -3.49 1.02 -1.26 -1.05 119.74 115.94 2nn3 s LYS 150 Ca 0.16 1.03 0.33 0.00 0.02 0.00 0.00 55.97 57.51 2nn3 s LYS 150 Cb 0.01 -3.50 1.49 0.00 -0.52 0.00 0.00 37.83 35.30 2nn3 s LYS 150 CO 0.02 -0.12 1.86 -1.35 -0.92 0.00 0.00 175.35 174.84 2nn3 h PRO 151 N 7.01 0.02 -0.18 -1.68 0.11 -1.91 -0.78 132.00 134.59 2nn3 h PRO 151 Ca -0.36 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.80 2nn3 h PRO 151 Cb 1.17 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2nn3 h PRO 151 CO 0.79 0.01 0.15 0.38 -0.21 0.00 0.00 178.00 179.12 2nn3 h ASP 152 N 0.02 0.00 0.14 -2.05 2.03 -1.92 0.70 116.42 115.33 2nn3 h ASP 152 Ca 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 2nn3 h ASP 152 Cb 1.86 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.36 2nn3 h ASP 152 CO -0.02 0.00 0.00 0.59 -1.03 0.00 0.00 179.24 178.78 2nn3 n ASN 153 N -4.14 0.26 0.09 4.15 5.03 -0.30 -0.61 115.26 119.74 2nn3 n ASN 153 Ca 0.01 0.60 -0.18 0.00 0.87 0.00 0.00 54.58 55.88 2nn3 n ASN 153 Cb 0.28 -0.64 -0.14 0.00 -1.02 0.00 0.00 39.78 38.25 2nn3 n ASN 153 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2nn3 h LEU 154 N 0.00 0.50 -0.42 3.41 3.38 -1.06 -3.36 115.31 117.77 2nn3 h LEU 154 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2nn3 h LEU 154 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2nn3 h LEU 154 CO 0.00 1.49 -0.68 -2.67 0.09 0.00 0.00 178.44 176.67 2nn3 n TRP 155 N -3.54 0.00 -0.24 1.13 2.14 -0.97 -4.56 117.44 111.40 2nn3 n TRP 155 Ca -0.14 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.48 2nn3 n TRP 155 Cb 1.05 0.00 0.16 0.00 -0.81 0.00 0.00 31.31 31.71 2nn3 n TRP 155 CO 0.00 0.00 0.00 -0.92 2.07 0.00 0.00 177.69 178.84 2nn3 h TYR 156 N 0.95 0.12 -0.35 -2.67 3.20 -1.01 -1.62 116.97 115.59 2nn3 h TYR 156 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2nn3 h TYR 156 Cb 0.54 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2nn3 h TYR 156 CO 0.00 -0.16 0.00 0.66 -1.64 0.00 0.00 178.16 177.02 2nn3 n TYR 157 N -5.24 1.16 0.49 -3.82 4.02 -1.26 -3.89 117.16 108.62 2nn3 n TYR 157 Ca 0.13 -0.41 0.06 0.00 -0.01 0.00 0.00 57.90 57.67 2nn3 n TYR 157 Cb 0.45 -0.30 0.02 0.00 -0.02 0.00 0.00 39.34 39.49 2nn3 n TYR 157 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2nn3 n PHE 158 N 0.42 0.00 -1.25 -0.72 3.72 -0.61 -4.47 117.46 114.55 2nn3 n PHE 158 Ca 0.16 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.22 2nn3 n PHE 158 Cb 0.76 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.41 2nn3 n PHE 158 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2nn3 s THR 159 N -1.24 2.07 0.25 4.37 -4.23 -1.25 -4.26 115.64 111.35 2nn3 s THR 159 Ca 0.11 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 2nn3 s THR 159 Cb 0.09 -2.55 0.22 0.00 1.34 0.00 0.00 72.50 71.60 2nn3 s THR 159 CO 0.22 -0.02 1.80 0.00 -0.54 0.00 0.00 174.62 176.08 2nn3 h ALA 160 N -0.60 1.18 -0.16 3.99 0.00 -1.95 1.55 119.26 123.27 2nn3 h ALA 160 Ca -0.47 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2nn3 h ALA 160 Cb 1.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2nn3 h ALA 160 CO 0.48 0.05 0.11 0.38 0.00 0.00 0.00 179.25 180.27 2nn3 h ASP 161 N 0.74 0.02 0.00 0.00 2.03 -1.97 -1.84 116.42 115.39 2nn3 h ASP 161 Ca 0.41 -0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.62 2nn3 h ASP 161 Cb 0.42 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 2nn3 h ASP 161 CO -0.27 0.01 -1.96 0.29 -1.03 0.00 0.00 179.24 176.29 2nn3 n LYS 162 N -4.50 0.72 -3.22 4.15 5.02 0.11 -4.66 118.16 115.78 2nn3 n LYS 162 Ca 0.01 -0.13 -0.24 0.00 -2.02 0.00 0.00 58.31 55.93 2nn3 n LYS 162 Cb 0.23 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2nn3 n LYS 162 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nn3 h PRO 164 N 3.77 0.00 0.00 0.00 0.11 -1.55 -0.36 132.00 133.96 2nn3 h PRO 164 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2nn3 h PRO 164 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2nn3 h PRO 164 CO 0.58 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 178.17 2nn3 h THR 165 N 0.00 0.10 -0.47 -1.15 1.03 -1.90 -3.10 112.91 107.43 2nn3 h THR 165 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 2nn3 h THR 165 Cb 0.16 1.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2nn3 h THR 165 CO 0.00 0.06 0.00 0.18 -0.01 0.00 0.00 175.52 175.75 2nn3 n LEU 166 N -3.06 3.28 -4.66 0.00 4.77 -0.15 -4.13 117.00 113.05 2nn3 n LEU 166 Ca 0.03 -1.50 -0.48 0.00 -0.03 0.00 0.00 56.01 54.03 2nn3 n LEU 166 Cb 0.56 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2nn3 n LEU 166 CO 0.36 0.75 1.21 0.00 -1.33 0.00 0.00 177.39 178.38 2nn3 n ALA 167 N 1.34 0.77 0.00 -1.18 0.00 -1.17 -0.91 120.51 119.36 2nn3 n ALA 167 Ca 0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2nn3 n ALA 167 Cb 0.56 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2nn3 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nn3 n GLY 168 N 3.51 2.33 3.79 0.00 0.00 -1.26 -4.99 105.19 108.57 2nn3 n GLY 168 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2nn3 n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nn3 s LYS 169 N 0.00 4.47 0.46 1.61 1.02 -0.08 -4.99 119.74 122.23 2nn3 s LYS 169 Ca 0.00 1.12 -0.24 0.00 0.02 0.00 0.00 55.97 56.87 2nn3 s LYS 169 Cb 0.00 -2.98 -0.07 0.00 -0.52 0.00 0.00 37.83 34.25 2nn3 s LYS 169 CO 0.00 0.42 1.32 -1.25 -0.92 0.00 0.00 175.35 174.91 2nn3 s PRO 170 N -1.73 3.65 -0.24 -1.68 0.04 -1.26 -4.87 135.00 128.91 2nn3 s PRO 170 Ca 0.43 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.64 2nn3 s PRO 170 Cb -0.20 -2.54 0.06 0.00 0.04 0.00 0.00 34.50 31.87 2nn3 s PRO 170 CO 0.24 -0.76 -0.06 0.15 0.04 0.00 0.00 177.00 176.61 2nn3 s LYS 171 N -2.55 1.75 -0.11 4.56 1.02 -0.09 -2.40 119.74 121.92 2nn3 s LYS 171 Ca 0.63 -1.08 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 2nn3 s LYS 171 Cb -0.38 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2nn3 s LYS 171 CO 0.47 -0.60 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.78 2nn3 s LEU 172 N 1.33 3.43 -0.20 3.17 1.02 0.57 -1.41 118.68 126.58 2nn3 s LEU 172 Ca -0.06 0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 2nn3 s LEU 172 Cb -0.19 -1.80 0.06 0.00 0.02 0.00 0.00 46.19 44.28 2nn3 s LEU 172 CO -0.06 0.30 -0.00 -0.36 0.02 0.00 0.00 176.35 176.24 2nn3 s PHE 173 N -0.41 1.53 -0.36 0.29 0.40 -0.04 -0.89 117.98 118.50 2nn3 s PHE 173 Ca 0.07 -1.15 -0.11 0.00 -0.60 0.00 0.00 56.93 55.14 2nn3 s PHE 173 Cb -0.12 -1.23 0.01 0.00 0.51 0.00 0.00 43.02 42.19 2nn3 s PHE 173 CO 0.02 -0.66 0.21 -0.06 0.70 0.00 0.00 175.22 175.44 2nn3 s PHE 174 N 1.69 3.23 -0.19 0.36 0.40 -0.03 -1.50 117.98 121.94 2nn3 s PHE 174 Ca -0.02 -0.75 -0.03 0.00 -0.60 0.00 0.00 56.93 55.53 2nn3 s PHE 174 Cb -0.17 -2.45 -0.01 0.00 0.51 0.00 0.00 43.02 40.90 2nn3 s PHE 174 CO -0.07 -0.57 -0.07 0.42 0.70 0.00 0.00 175.22 175.63 2nn3 s ILE 175 N 1.60 3.30 -0.26 0.64 1.09 -0.55 -0.63 121.20 126.38 2nn3 s ILE 175 Ca 0.03 -0.54 -0.04 0.00 -1.10 0.00 0.00 60.65 59.01 2nn3 s ILE 175 Cb -0.18 -2.46 0.02 0.00 -1.06 0.00 0.00 42.46 38.77 2nn3 s ILE 175 CO 0.07 0.46 -0.01 -1.58 -0.10 0.00 0.00 174.94 173.79 2nn3 s GLN 176 N 1.06 2.95 -0.41 2.79 2.00 -0.13 -0.19 119.66 127.73 2nn3 s GLN 176 Ca 0.00 -0.92 0.02 0.00 -2.00 0.00 0.00 55.36 52.47 2nn3 s GLN 176 Cb -0.15 -3.13 0.15 0.00 0.80 0.00 0.00 33.01 30.69 2nn3 s GLN 176 CO -0.01 -0.41 0.28 0.00 -0.50 0.00 0.00 175.29 174.66 2nn3 s ALA 177 N 1.39 1.45 0.28 1.58 0.00 -1.25 -0.61 121.76 124.60 2nn3 s ALA 177 Ca 0.01 -2.31 -0.30 0.00 0.00 0.00 0.00 51.96 49.37 2nn3 s ALA 177 Cb -0.17 -1.67 -0.11 0.00 0.00 0.00 0.00 23.12 21.17 2nn3 s ALA 177 CO -0.02 -2.05 1.52 0.00 0.00 0.00 0.00 175.76 175.21 2nn3 n GLN 179 N 2.10 0.00 -2.84 0.00 1.13 -1.23 -3.03 117.38 113.51 2nn3 n GLN 179 Ca 0.07 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.02 2nn3 n GLN 179 Cb 0.39 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.78 2nn3 n GLN 179 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nn3 n GLY 180 N 0.00 0.91 3.25 1.08 0.00 -1.25 -4.74 105.19 104.44 2nn3 n GLY 180 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2nn3 n GLY 180 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nn3 s ASP 181 N -1.56 4.69 -0.86 1.61 -1.08 -1.26 -4.87 116.67 113.34 2nn3 s ASP 181 Ca 0.30 -0.85 -0.26 0.00 -0.52 0.00 0.00 52.55 51.22 2nn3 s ASP 181 Cb 0.25 -1.75 -0.16 0.00 -1.46 0.00 0.00 42.92 39.80 2nn3 s ASP 181 CO -0.15 -0.17 2.33 -0.13 0.52 0.00 0.00 175.17 177.57 2nn3 s ARG 182 N 1.39 1.53 -0.30 4.34 3.00 -1.26 -4.76 118.95 122.89 2nn3 s ARG 182 Ca 0.01 0.24 -0.11 0.00 0.00 0.00 0.00 55.73 55.87 2nn3 s ARG 182 Cb -0.17 -4.84 0.16 0.00 0.00 0.00 0.00 34.95 30.10 2nn3 s ARG 182 CO -0.01 -4.67 0.84 -1.17 0.00 0.00 0.00 175.30 170.29 2nn3 s LEU 183 N 15.19 -0.84 -0.00 2.53 0.20 -1.26 -5.00 118.68 129.49 2nn3 s LEU 183 Ca 0.89 0.98 0.01 0.00 0.69 0.00 0.00 54.13 56.70 2nn3 s LEU 183 Cb -0.11 1.89 0.01 0.00 -0.43 0.00 0.00 46.19 47.55 2nn3 s LEU 183 CO 0.10 -0.16 0.69 -0.67 -0.29 0.00 0.00 176.35 176.02 2nn3 n ASP 184 N 5.23 0.56 -4.95 3.68 2.03 -1.26 -5.11 116.55 116.73 2nn3 n ASP 184 Ca -0.09 -1.40 -0.23 0.00 0.52 0.00 0.00 54.79 53.59 2nn3 n ASP 184 Cb 0.51 -0.03 -0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2nn3 n ASP 184 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2nn3 s GLY 185 N -0.43 1.45 -0.19 0.27 0.00 -1.26 -5.04 107.32 102.12 2nn3 s GLY 185 Ca 0.01 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.77 2nn3 s GLY 185 CO 0.00 -0.91 1.01 0.61 0.00 0.00 0.00 173.10 173.81 2nn3 n GLY 186 N -1.89 0.32 0.53 0.20 0.00 -1.26 -5.27 105.19 97.82 2nn3 n GLY 186 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2nn3 n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nn3 n ILE 187 N -0.68 0.39 -2.48 -0.61 5.41 -1.26 -5.36 119.36 114.77 2nn3 n ILE 187 Ca -0.10 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2nn3 n ILE 187 Cb 0.68 0.16 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 2nn3 n ILE 187 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2nn3 n SER 201 N 0.30 0.00 -4.90 4.38 7.64 -1.26 -5.35 113.62 114.43 2nn3 n SER 201 Ca 0.09 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.76 2nn3 n SER 201 Cb 0.25 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.51 2nn3 n SER 201 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2nn3 s TYR 202 N -2.01 2.14 -0.56 1.43 -0.85 -1.25 -4.34 117.35 111.91 2nn3 s TYR 202 Ca 0.00 -0.32 -0.21 0.00 -0.52 0.00 0.00 57.07 56.02 2nn3 s TYR 202 Cb 0.00 -2.64 0.06 0.00 0.38 0.00 0.00 41.96 39.76 2nn3 s TYR 202 CO 0.00 -1.11 0.80 -0.98 -1.52 0.00 0.00 175.55 172.73 2nn3 s ARG 203 N -4.79 3.18 -0.07 -3.49 1.04 -1.26 -5.01 118.95 108.56 2nn3 s ARG 203 Ca 0.61 -0.71 -0.30 0.00 -1.04 0.00 0.00 55.73 54.29 2nn3 s ARG 203 Cb -0.08 -4.12 -0.04 0.00 -2.04 0.00 0.00 34.95 28.67 2nn3 s ARG 203 CO 0.39 -1.45 1.39 0.42 -0.04 0.00 0.00 175.30 176.02 2nn3 s ILE 204 N 3.33 3.92 -0.25 4.99 1.01 -1.26 -4.80 121.20 128.14 2nn3 s ILE 204 Ca 0.21 1.20 -0.29 0.00 0.00 0.00 0.00 60.65 61.77 2nn3 s ILE 204 Cb -0.17 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2nn3 s ILE 204 CO 0.13 -0.06 1.43 -2.16 0.00 0.00 0.00 174.94 174.29 2nn3 s PRO 205 N 3.06 3.90 -1.09 2.79 0.04 -1.26 -4.95 135.00 137.48 2nn3 s PRO 205 Ca 0.62 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.95 2nn3 s PRO 205 Cb -0.28 -3.94 0.12 0.00 0.04 0.00 0.00 34.50 30.45 2nn3 s PRO 205 CO 0.23 -1.15 1.36 0.08 0.04 0.00 0.00 177.00 177.56 2nn3 s VAL 206 N 4.63 4.62 -0.30 -0.36 1.01 -1.26 -4.88 120.40 123.86 2nn3 s VAL 206 Ca 0.63 -1.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 2nn3 s VAL 206 Cb -0.21 -4.93 0.14 0.00 0.00 0.00 0.00 36.38 31.39 2nn3 s VAL 206 CO 0.25 -1.69 0.72 -2.28 0.00 0.00 0.00 175.10 172.11 2nn3 s HIS 207 N 2.89 -1.20 0.38 5.22 5.04 -1.26 -5.13 115.29 121.23 2nn3 s HIS 207 Ca 0.41 2.08 -0.25 0.00 -1.54 0.00 0.00 55.06 55.76 2nn3 s HIS 207 Cb -0.02 0.72 -0.12 0.00 0.04 0.00 0.00 32.58 33.20 2nn3 s HIS 207 CO -0.04 -0.60 0.99 0.00 -2.34 0.00 0.00 174.74 172.76 2nn3 n ALA 208 N 5.34 0.04 -0.84 1.58 0.00 -1.26 -3.24 120.51 122.12 2nn3 n ALA 208 Ca -0.11 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2nn3 n ALA 208 Cb 0.50 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2nn3 n ALA 208 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2nn3 n ASP 209 N 0.74 -2.53 -4.88 0.00 8.00 -0.29 -4.90 116.55 112.68 2nn3 n ASP 209 Ca 0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.28 2nn3 n ASP 209 Cb 0.37 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 2nn3 n ASP 209 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2nn3 s PHE 210 N -2.00 3.44 -0.02 1.24 0.08 -1.20 -0.91 117.98 118.61 2nn3 s PHE 210 Ca 0.00 0.88 0.00 0.00 0.12 0.00 0.00 56.93 57.93 2nn3 s PHE 210 Cb 0.00 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2nn3 s PHE 210 CO 0.00 0.18 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.13 2nn3 s LEU 211 N -3.12 1.39 -0.17 -0.37 2.96 -0.50 -0.74 118.68 118.13 2nn3 s LEU 211 Ca 0.48 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2nn3 s LEU 211 Cb -0.11 -0.17 0.04 0.00 0.50 0.00 0.00 46.19 46.45 2nn3 s LEU 211 CO 0.24 -0.07 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.50 2nn3 s ILE 212 N 0.72 1.28 -0.38 6.68 1.01 0.04 -0.87 121.20 129.69 2nn3 s ILE 212 Ca -0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2nn3 s ILE 212 Cb -0.10 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.98 2nn3 s ILE 212 CO -0.01 0.17 0.24 0.00 0.00 0.00 0.00 174.94 175.34 2nn3 s ALA 213 N 1.56 3.36 -0.07 9.38 0.00 -0.56 -0.21 121.76 135.22 2nn3 s ALA 213 Ca 0.01 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.29 2nn3 s ALA 213 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2nn3 s ALA 213 CO -0.08 -1.37 -0.09 0.12 0.00 0.00 0.00 175.76 174.33 2nn3 s PHE 214 N 1.61 2.86 0.00 0.00 5.36 -0.61 -1.48 117.98 125.72 2nn3 s PHE 214 Ca 0.03 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 2nn3 s PHE 214 Cb -0.19 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 2nn3 s PHE 214 CO 0.08 0.25 0.00 0.45 -1.46 0.00 0.00 175.22 174.54 2nn3 n SER 215 N 2.35 0.00 0.00 6.13 2.88 0.73 -1.00 113.62 124.72 2nn3 n SER 215 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2nn3 n SER 215 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2nn3 n SER 215 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2nn3 n THR 216 N -0.86 0.00 -2.36 2.46 -2.24 -1.24 -4.72 114.28 105.32 2nn3 n THR 216 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2nn3 n THR 216 Cb 0.00 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 2nn3 n THR 216 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2nn3 s VAL 217 N -1.92 4.04 -1.84 2.28 1.01 -1.26 -3.48 120.40 119.22 2nn3 s VAL 217 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.15 2nn3 s VAL 217 Cb 0.00 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2nn3 s VAL 217 CO 0.00 -0.47 0.94 -0.81 0.00 0.00 0.00 175.10 174.76 2nn3 n PRO 218 N 7.45 1.05 -2.37 2.72 -0.04 -1.26 -4.86 135.00 137.70 2nn3 n PRO 218 Ca 0.16 -0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 2nn3 n PRO 218 Cb 0.46 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 2nn3 n PRO 218 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2nn3 s GLY 219 N -0.84 2.91 0.28 0.55 0.00 -1.26 -5.04 107.32 103.91 2nn3 s GLY 219 Ca 0.01 0.99 0.02 0.00 0.00 0.00 0.00 44.72 45.74 2nn3 s GLY 219 CO 0.01 1.71 0.09 -0.19 0.00 0.00 0.00 173.10 174.72 2nn3 s TYR 220 N -0.76 1.67 -0.05 1.90 1.51 -1.26 -2.28 117.35 118.09 2nn3 s TYR 220 Ca 0.48 -1.12 -0.12 0.00 -1.01 0.00 0.00 57.07 55.30 2nn3 s TYR 220 Cb -0.34 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 2nn3 s TYR 220 CO 0.42 -0.24 0.31 -0.06 -1.11 0.00 0.00 175.55 174.87 2nn3 s PHE 221 N -3.60 3.67 -0.02 2.71 0.40 0.13 -4.77 117.98 116.51 2nn3 s PHE 221 Ca 0.37 0.82 0.05 0.00 -0.60 0.00 0.00 56.93 57.56 2nn3 s PHE 221 Cb 0.08 -2.17 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 2nn3 s PHE 221 CO 0.14 0.65 -0.16 -1.54 0.70 0.00 0.00 175.22 175.02 2nn3 s SER 222 N -0.97 1.89 0.00 1.36 1.04 -1.26 -2.11 113.70 113.64 2nn3 s SER 222 Ca 0.20 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2nn3 s SER 222 Cb -0.15 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2nn3 s SER 222 CO 0.10 0.18 0.06 1.87 0.98 0.00 0.00 173.24 176.43 2nn3 n TRP 223 N 2.79 0.00 0.00 5.02 -0.00 -1.00 -4.94 117.44 119.32 2nn3 n TRP 223 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.35 2nn3 n TRP 223 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 2nn3 n TRP 223 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 2nn3 n ARG 224 N -0.25 0.00 -0.06 5.87 0.63 -1.26 -4.90 116.66 116.69 2nn3 n ARG 224 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2nn3 n ARG 224 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 2nn3 n ARG 224 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2nn3 n ASN 225 N 0.00 0.20 -4.85 6.15 0.23 -1.26 -4.99 115.26 110.73 2nn3 n ASN 225 Ca 0.00 0.09 -0.32 0.00 -0.53 0.00 0.00 54.58 53.83 2nn3 n ASN 225 Cb 0.00 0.93 -0.00 0.00 -2.08 0.00 0.00 39.78 38.63 2nn3 n ASN 225 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2nn3 s THR 226 N -2.70 4.51 0.26 5.53 -4.23 -1.26 -5.07 115.64 112.68 2nn3 s THR 226 Ca -0.08 0.99 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2nn3 s THR 226 Cb 0.08 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 2nn3 s THR 226 CO 0.84 -0.89 0.14 0.42 -0.54 0.00 0.00 174.62 174.58 2nn3 s THR 227 N -2.90 4.02 -0.31 3.99 -4.23 -1.26 -2.37 115.64 112.59 2nn3 s THR 227 Ca 0.57 -1.58 -0.09 0.00 -1.18 0.00 0.00 61.69 59.42 2nn3 s THR 227 Cb -0.11 -3.20 0.19 0.00 1.34 0.00 0.00 72.50 70.72 2nn3 s THR 227 CO 0.44 -0.34 1.00 0.00 -0.54 0.00 0.00 174.62 175.18 2nn3 s ARG 228 N -3.80 0.20 0.00 3.99 1.70 -0.90 -3.57 118.95 116.58 2nn3 s ARG 228 Ca 0.33 0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.69 2nn3 s ARG 228 Cb -0.07 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 2nn3 s ARG 228 CO 0.23 -0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 2nn3 n GLY 229 N 4.74 -0.16 3.91 3.88 0.00 -0.87 -4.52 105.19 112.17 2nn3 n GLY 229 Ca 0.08 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 2nn3 n GLY 229 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nn3 s SER 230 N -0.12 6.02 0.15 1.61 1.04 -1.26 -0.69 113.70 120.46 2nn3 s SER 230 Ca 0.00 -0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.21 2nn3 s SER 230 Cb 0.00 -1.70 0.05 0.00 0.10 0.00 0.00 66.02 64.48 2nn3 s SER 230 CO 0.00 -0.03 1.66 -0.50 0.98 0.00 0.00 173.24 175.35 2nn3 h TRP 231 N 1.49 -0.34 0.59 5.02 6.55 -1.75 -1.22 115.95 126.29 2nn3 h TRP 231 Ca -0.50 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.35 2nn3 h TRP 231 Cb 1.23 0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 29.71 2nn3 h TRP 231 CO 0.50 -0.21 -0.43 0.35 -1.05 0.00 0.00 178.44 177.60 2nn3 h PHE 232 N -0.09 -1.17 -0.73 0.49 3.57 -1.89 0.14 116.94 117.25 2nn3 h PHE 232 Ca 0.16 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.79 2nn3 h PHE 232 Cb 0.33 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 2nn3 h PHE 232 CO -0.34 -0.62 0.49 0.52 -2.23 0.00 0.00 178.31 176.13 2nn3 h MET 233 N -0.98 0.43 -0.06 1.11 2.86 -1.95 -1.89 114.93 114.46 2nn3 h MET 233 Ca -0.08 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2nn3 h MET 233 Cb 0.81 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2nn3 h MET 233 CO 0.03 0.29 -0.25 0.37 1.06 0.00 0.00 176.91 178.41 2nn3 h GLN 234 N 0.45 0.27 -0.73 1.72 4.15 -0.80 -2.78 115.11 117.39 2nn3 h GLN 234 Ca 0.36 -0.21 0.14 0.00 0.77 0.00 0.00 58.65 59.70 2nn3 h GLN 234 Cb 0.76 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.40 2nn3 h GLN 234 CO -0.11 0.86 0.27 0.00 -1.93 0.00 0.00 178.83 177.92 2nn3 h ALA 235 N 0.41 1.00 0.00 3.38 0.00 -0.72 -1.66 119.26 121.66 2nn3 h ALA 235 Ca -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2nn3 h ALA 235 Cb 0.90 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2nn3 h ALA 235 CO 0.05 -0.22 -0.40 1.25 0.00 0.00 0.00 179.25 179.93 2nn3 h LEU 236 N 0.42 0.00 0.22 0.00 5.85 -1.34 -0.87 115.31 119.59 2nn3 h LEU 236 Ca 0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2nn3 h LEU 236 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2nn3 h LEU 236 CO -0.40 0.40 -0.11 0.00 -0.34 0.00 0.00 178.44 178.00 2nn3 h GLU 238 N -1.05 0.02 0.41 0.00 5.08 -1.30 0.50 114.58 118.25 2nn3 h GLU 238 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2nn3 h GLU 238 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2nn3 h GLU 238 CO 0.05 0.01 -0.20 0.93 -1.00 0.00 0.00 179.01 178.80 2nn3 h GLU 239 N 0.02 -0.53 -0.12 2.33 4.39 -1.25 -0.32 114.58 119.10 2nn3 h GLU 239 Ca 0.53 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.30 2nn3 h GLU 239 Cb 0.99 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2nn3 h GLU 239 CO -0.91 -0.23 0.27 -0.07 -1.16 0.00 0.00 179.01 176.91 2nn3 h LEU 240 N -0.84 0.00 0.00 1.33 3.38 -0.30 -2.71 115.31 116.17 2nn3 h LEU 240 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2nn3 h LEU 240 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2nn3 h LEU 240 CO 0.09 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.48 2nn3 n ARG 241 N -3.27 0.00 -0.14 1.13 0.63 0.16 -2.75 116.66 112.42 2nn3 n ARG 241 Ca 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2nn3 n ARG 241 Cb 0.37 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.77 2nn3 n ARG 241 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2nn3 n TYR 242 N -1.66 0.00 0.00 -0.14 0.53 -0.17 -3.64 117.16 112.07 2nn3 n TYR 242 Ca 0.00 -0.42 0.00 0.00 -1.02 0.00 0.00 57.90 56.46 2nn3 n TYR 242 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 39.34 38.02 2nn3 n TYR 242 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2nn3 n ALA 243 N 1.21 0.00 0.00 -0.72 0.00 -1.03 -4.95 120.51 115.02 2nn3 n ALA 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nn3 n ALA 243 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2nn3 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nn3 n GLY 244 N -0.59 -0.09 0.20 0.00 0.00 -1.11 -1.78 105.19 101.81 2nn3 n GLY 244 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2nn3 n GLY 244 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nn3 n THR 245 N -0.94 0.00 0.10 2.61 -1.04 -1.26 -3.18 114.28 110.58 2nn3 n THR 245 Ca 0.00 -0.40 0.01 0.00 -2.04 0.00 0.00 64.05 61.62 2nn3 n THR 245 Cb 0.09 1.10 -0.01 0.00 -1.82 0.00 0.00 70.33 69.70 2nn3 n THR 245 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2nn3 n GLU 246 N -0.31 4.26 -4.36 -2.82 4.71 -0.73 -4.85 120.64 116.55 2nn3 n GLU 246 Ca 0.04 -0.19 -0.27 0.00 -0.01 0.00 0.00 57.16 56.73 2nn3 n GLU 246 Cb 0.19 -0.73 -0.13 0.00 -1.01 0.00 0.00 31.44 29.76 2nn3 n GLU 246 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2nn3 s ARG 247 N -0.91 1.31 0.71 3.49 0.52 -1.23 -5.12 118.95 117.72 2nn3 s ARG 247 Ca 0.01 -1.30 -0.14 0.00 -0.52 0.00 0.00 55.73 53.78 2nn3 s ARG 247 Cb 0.02 -1.70 0.03 0.00 0.52 0.00 0.00 34.95 33.81 2nn3 s ARG 247 CO 0.07 0.40 1.13 0.16 0.02 0.00 0.00 175.30 177.07 2nn3 s ASP 248 N -2.09 4.68 0.42 0.23 3.84 -1.26 -4.42 116.67 118.07 2nn3 s ASP 248 Ca 0.12 2.06 0.13 0.00 -0.00 0.00 0.00 52.55 54.86 2nn3 s ASP 248 Cb -0.10 -2.56 0.90 0.00 -1.38 0.00 0.00 42.92 39.79 2nn3 s ASP 248 CO 0.06 -1.92 1.94 -0.29 -0.00 0.00 0.00 175.17 174.95 2nn3 h ILE 249 N -0.35 1.17 0.10 2.11 6.09 -1.24 -2.47 117.51 122.92 2nn3 h ILE 249 Ca -0.46 -0.81 -0.27 0.00 -1.37 0.00 0.00 64.86 61.95 2nn3 h ILE 249 Cb 1.26 1.41 0.01 0.00 0.47 0.00 0.00 36.82 39.96 2nn3 h ILE 249 CO 0.52 0.23 -1.18 -0.07 -3.07 0.00 0.00 178.15 174.59 2nn3 h LEU 250 N 0.03 0.50 -0.29 2.19 3.38 -1.93 -0.66 115.31 118.54 2nn3 h LEU 250 Ca 0.00 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.50 2nn3 h LEU 250 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2nn3 h LEU 250 CO 0.03 1.35 0.17 0.74 0.09 0.00 0.00 178.44 180.82 2nn3 h THR 251 N 0.13 1.03 -0.21 0.22 2.02 -1.94 0.00 112.91 114.16 2nn3 h THR 251 Ca -0.13 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 66.99 2nn3 h THR 251 Cb 1.87 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.88 2nn3 h THR 251 CO 0.20 0.06 -0.19 -0.07 0.37 0.00 0.00 175.52 175.89 2nn3 h LEU 252 N 0.35 -0.61 -1.08 2.58 4.07 -1.29 -1.66 115.31 117.67 2nn3 h LEU 252 Ca 0.11 0.12 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 2nn3 h LEU 252 Cb -0.00 0.30 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2nn3 h LEU 252 CO -0.05 -0.23 -0.44 -0.07 -1.08 0.00 0.00 178.44 176.57 2nn3 h LEU 253 N -0.20 0.00 -0.36 1.67 3.38 -1.00 0.89 115.31 119.70 2nn3 h LEU 253 Ca 0.13 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2nn3 h LEU 253 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2nn3 h LEU 253 CO -0.33 0.44 0.03 0.74 0.09 0.00 0.00 178.44 179.41 2nn3 h THR 254 N 0.00 0.77 -0.26 0.22 2.02 -0.10 -1.69 112.91 113.87 2nn3 h THR 254 Ca -0.00 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 2nn3 h THR 254 Cb 0.82 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2nn3 h THR 254 CO 0.06 0.03 -0.32 -0.26 0.37 0.00 0.00 175.52 175.39 2nn3 h PHE 255 N 0.14 0.64 -0.37 3.16 0.05 -0.12 -1.55 116.94 118.89 2nn3 h PHE 255 Ca 0.17 -0.16 0.06 0.00 3.82 0.00 0.00 57.97 61.87 2nn3 h PHE 255 Cb 0.22 -0.15 -0.06 0.00 2.00 0.00 0.00 35.95 37.97 2nn3 h PHE 255 CO -0.22 0.81 0.02 0.28 -0.18 0.00 0.00 178.31 179.02 2nn3 h VAL 256 N 0.47 0.75 -0.27 -0.55 2.07 -0.70 -1.08 116.25 116.94 2nn3 h VAL 256 Ca 0.06 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2nn3 h VAL 256 Cb 0.79 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 2nn3 h VAL 256 CO 0.06 0.02 -0.28 0.00 0.02 0.00 0.00 177.57 177.39 2nn3 h GLN 258 N -0.28 0.12 -0.14 0.00 4.15 -0.83 1.02 115.11 119.14 2nn3 h GLN 258 Ca 0.14 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.58 2nn3 h GLN 258 Cb 0.50 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2nn3 h GLN 258 CO -0.43 0.08 -0.04 0.87 -1.93 0.00 0.00 178.83 177.38 2nn3 h LYS 259 N 0.12 -0.01 0.07 1.69 1.57 -0.42 0.13 116.57 119.72 2nn3 h LYS 259 Ca 0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2nn3 h LYS 259 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2nn3 h LYS 259 CO -0.49 -0.00 -0.03 0.28 -0.57 0.00 0.00 179.45 178.63 2nn3 h VAL 260 N -0.01 0.94 -0.85 0.50 2.07 0.40 -2.43 116.25 116.87 2nn3 h VAL 260 Ca 0.07 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.70 2nn3 h VAL 260 Cb 0.11 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 2nn3 h VAL 260 CO -0.15 0.01 0.56 0.00 0.02 0.00 0.00 177.57 178.01 2nn3 h ALA 261 N 0.83 1.94 0.00 1.67 0.00 0.15 0.30 119.26 124.15 2nn3 h ALA 261 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2nn3 h ALA 261 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2nn3 h ALA 261 CO 0.02 -0.18 -0.66 -0.07 0.00 0.00 0.00 179.25 178.35 2nn3 h LEU 262 N 0.59 0.00 -0.34 0.00 3.38 -0.33 -3.11 115.31 115.50 2nn3 h LEU 262 Ca 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 2nn3 h LEU 262 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2nn3 h LEU 262 CO -0.18 0.64 -0.08 0.44 0.09 0.00 0.00 178.44 179.34 2nn3 h ASP 263 N 0.00 0.00 -2.24 -0.43 3.32 -0.49 -3.41 116.42 113.17 2nn3 h ASP 263 Ca -0.01 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 2nn3 h ASP 263 Cb 1.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 2nn3 h ASP 263 CO 0.08 0.08 1.37 0.12 -1.72 0.00 0.00 179.24 179.17 2nn3 s PHE 264 N -3.29 1.62 0.00 4.55 2.19 -0.94 -0.23 117.98 121.88 2nn3 s PHE 264 Ca 0.05 0.81 0.00 0.00 0.33 0.00 0.00 56.93 58.12 2nn3 s PHE 264 Cb 0.06 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 2nn3 s PHE 264 CO 0.66 -2.73 0.00 -0.85 1.83 0.00 0.00 175.22 174.12 2nn3 n GLU 265 N 8.79 0.00 -1.03 10.12 -0.00 -1.26 -4.82 120.64 132.45 2nn3 n GLU 265 Ca 0.24 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.32 2nn3 n GLU 265 Cb 0.50 0.00 0.16 0.00 -0.00 0.00 0.00 31.44 32.10 2nn3 n GLU 265 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2nn3 n SER 266 N 0.00 3.11 -4.34 -1.84 2.88 0.67 -5.06 113.62 109.03 2nn3 n SER 266 Ca 0.00 -3.81 -0.30 0.00 -1.33 0.00 0.00 58.87 53.43 2nn3 n SER 266 Cb 0.00 -0.60 -0.15 0.00 -0.75 0.00 0.00 64.21 62.72 2nn3 n SER 266 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2nn3 s ASN 267 N -2.78 3.17 0.13 -3.46 0.02 -1.26 -5.05 114.94 105.71 2nn3 s ASN 267 Ca 0.46 -0.59 -0.15 0.00 -1.02 0.00 0.00 52.86 51.56 2nn3 s ASN 267 Cb 0.41 -0.29 0.07 0.00 0.02 0.00 0.00 41.25 41.46 2nn3 s ASN 267 CO -0.01 0.26 1.01 0.00 0.02 0.00 0.00 177.10 178.38 2nn3 n ALA 268 N 1.79 -0.23 -1.16 0.60 0.00 -1.26 -4.71 120.51 115.54 2nn3 n ALA 268 Ca -0.17 0.61 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 2nn3 n ALA 268 Cb 0.52 -0.20 0.15 0.00 0.00 0.00 0.00 19.45 19.92 2nn3 n ALA 268 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2nn3 s PRO 269 N -5.48 0.93 0.06 0.00 0.04 -1.26 -5.06 135.00 124.22 2nn3 s PRO 269 Ca -0.08 0.75 -0.08 0.00 0.04 0.00 0.00 61.00 61.63 2nn3 s PRO 269 Cb 0.11 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.90 2nn3 s PRO 269 CO 0.44 -2.45 0.38 -3.47 0.04 0.00 0.00 177.00 171.94 2nn3 n ASP 270 N -4.01 -0.59 -1.42 6.66 -0.08 -1.26 -4.99 116.55 110.85 2nn3 n ASP 270 Ca 0.06 -1.29 -0.09 0.00 -1.51 0.00 0.00 54.79 51.96 2nn3 n ASP 270 Cb 0.56 0.96 -0.03 0.00 2.34 0.00 0.00 41.12 44.94 2nn3 n ASP 270 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2nn3 n SER 271 N -0.79 -2.35 -0.86 1.67 2.88 -1.26 -2.50 113.62 110.40 2nn3 n SER 271 Ca -0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2nn3 n SER 271 Cb 0.21 -2.32 0.00 0.00 -0.75 0.00 0.00 64.21 61.34 2nn3 n SER 271 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nn3 n ALA 272 N -0.36 -0.39 -2.73 -1.46 0.00 -1.26 -5.10 120.51 109.22 2nn3 n ALA 272 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 2nn3 n ALA 272 Cb 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 2nn3 n ALA 272 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2nn3 s MET 273 N -2.58 4.26 0.01 0.00 -1.94 -1.04 -5.03 119.30 112.97 2nn3 s MET 273 Ca 0.00 0.08 -0.38 0.00 -1.71 0.00 0.00 55.69 53.68 2nn3 s MET 273 Cb 0.00 -3.43 -0.17 0.00 2.01 0.00 0.00 34.83 33.24 2nn3 s MET 273 CO 0.00 0.23 1.37 -1.33 -0.01 0.00 0.00 175.02 175.28 2nn3 n MET 274 N 3.60 0.96 0.00 2.03 2.81 -1.26 -4.57 117.12 120.69 2nn3 n MET 274 Ca -0.12 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2nn3 n MET 274 Cb 0.52 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2nn3 n MET 274 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2nn3 n HIS 275 N 2.82 0.00 0.00 2.03 1.44 -1.26 -5.13 115.22 115.12 2nn3 n HIS 275 Ca 0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 2nn3 n HIS 275 Cb 0.16 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.27 2nn3 n HIS 275 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2nn3 n GLN 276 N 1.41 0.00 -1.66 -1.40 6.02 -1.26 -5.12 117.38 115.37 2nn3 n GLN 276 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 57.00 56.50 2nn3 n GLN 276 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 2nn3 n GLN 276 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2nn3 n GLN 277 N -0.43 1.89 -0.70 -1.09 7.27 -1.26 -4.87 117.38 118.19 2nn3 n GLN 277 Ca 0.00 0.69 -0.23 0.00 0.07 0.00 0.00 57.00 57.52 2nn3 n GLN 277 Cb 0.00 -2.44 0.01 0.00 2.41 0.00 0.00 30.24 30.22 2nn3 n GLN 277 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2nn3 n LYS 278 N 4.23 0.00 -4.40 3.69 0.00 -1.26 -4.98 118.16 115.44 2nn3 n LYS 278 Ca 0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.17 2nn3 n LYS 278 Cb 0.26 -0.61 -0.12 0.00 -0.00 0.00 0.00 35.03 34.56 2nn3 n LYS 278 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2nn3 s GLN 279 N -0.86 3.56 0.32 -1.58 0.74 -1.26 -5.07 119.66 115.51 2nn3 s GLN 279 Ca 0.31 -0.51 0.05 0.00 0.05 0.00 0.00 55.36 55.26 2nn3 s GLN 279 Cb -0.23 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.96 2nn3 s GLN 279 CO 0.45 0.31 0.21 0.14 -0.55 0.00 0.00 175.29 175.85 2nn3 s VAL 280 N 0.17 0.16 0.86 1.34 -7.23 -1.26 -4.48 120.40 109.96 2nn3 s VAL 280 Ca -0.01 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.04 2nn3 s VAL 280 Cb -0.14 -2.48 0.11 0.00 0.56 0.00 0.00 36.38 34.44 2nn3 s VAL 280 CO 0.03 0.00 1.10 -2.16 -0.31 0.00 0.00 175.10 173.76 2nn3 s PRO 281 N -3.66 1.54 -0.29 4.82 0.05 -1.26 -4.79 135.00 131.41 2nn3 s PRO 281 Ca 0.37 0.60 -0.05 0.00 0.05 0.00 0.00 61.00 61.97 2nn3 s PRO 281 Cb 0.04 -1.86 0.03 0.00 0.05 0.00 0.00 34.50 32.75 2nn3 s PRO 281 CO 0.21 -1.99 0.04 0.00 0.05 0.00 0.00 177.00 175.31 2nn3 s ILE 283 N 1.40 5.08 -0.16 0.00 -1.09 -1.26 -1.57 121.20 123.60 2nn3 s ILE 283 Ca -0.00 0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 2nn3 s ILE 283 Cb -0.18 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 2nn3 s ILE 283 CO 0.00 -0.03 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.68 2nn3 s THR 284 N 2.27 3.02 -0.13 2.92 2.01 0.70 -5.02 115.64 121.42 2nn3 s THR 284 Ca 0.18 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 2nn3 s THR 284 Cb -0.16 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.09 2nn3 s THR 284 CO 0.11 0.50 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.96 2nn3 s SER 285 N 0.78 2.29 -0.18 3.53 0.15 -1.26 -0.78 113.70 118.23 2nn3 s SER 285 Ca -0.05 -0.41 0.16 0.00 0.70 0.00 0.00 55.95 56.35 2nn3 s SER 285 Cb -0.15 -0.71 0.77 0.00 -1.71 0.00 0.00 66.02 64.22 2nn3 s SER 285 CO 0.01 -0.18 1.68 0.23 1.20 0.00 0.00 173.24 176.18 2nn3 n MET 286 N 5.00 4.35 -1.69 5.44 2.81 0.08 -5.01 117.12 128.10 2nn3 n MET 286 Ca -0.10 -2.99 -0.36 0.00 -1.81 0.00 0.00 57.70 52.44 2nn3 n MET 286 Cb 0.49 -2.10 0.07 0.00 -0.71 0.00 0.00 33.22 30.97 2nn3 n MET 286 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2nn3 s LEU 287 N -2.32 3.50 0.00 4.03 1.43 -1.15 -1.14 118.68 123.04 2nn3 s LEU 287 Ca 0.52 2.49 0.06 0.00 -1.03 0.00 0.00 54.13 56.17 2nn3 s LEU 287 Cb 0.37 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.99 2nn3 s LEU 287 CO 0.20 -2.02 0.50 0.35 0.23 0.00 0.00 176.35 175.60 2nn3 n THR 288 N -2.12 0.00 -4.15 5.49 -2.24 -1.26 -4.78 114.28 105.22 2nn3 n THR 288 Ca 0.15 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2nn3 n THR 288 Cb 0.49 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.69 2nn3 n THR 288 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2nn3 s ARG 289 N -0.98 0.81 0.15 -0.78 0.52 -1.26 -5.01 118.95 112.40 2nn3 s ARG 289 Ca 0.05 -1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 53.61 2nn3 s ARG 289 Cb 0.05 0.02 -0.08 0.00 0.52 0.00 0.00 34.95 35.46 2nn3 s ARG 289 CO 0.15 -0.11 1.31 -0.51 0.02 0.00 0.00 175.30 176.16 2nn3 s LEU 290 N -3.02 4.40 -0.41 2.53 2.01 0.23 -4.84 118.68 119.57 2nn3 s LEU 290 Ca 0.14 2.31 -0.08 0.00 0.01 0.00 0.00 54.13 56.51 2nn3 s LEU 290 Cb 0.07 -3.60 0.08 0.00 0.01 0.00 0.00 46.19 42.75 2nn3 s LEU 290 CO -0.04 -0.55 0.25 -0.22 1.01 0.00 0.00 176.35 176.79 2nn3 s LEU 291 N 0.47 5.11 -0.18 1.79 2.96 -1.26 -1.86 118.68 125.71 2nn3 s LEU 291 Ca 0.59 -1.53 -0.00 0.00 -0.22 0.00 0.00 54.13 52.97 2nn3 s LEU 291 Cb -0.35 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.38 2nn3 s LEU 291 CO 0.34 -0.53 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.01 2nn3 s VAL 292 N 1.40 2.59 -2.00 1.68 1.01 -1.26 -0.60 120.40 123.22 2nn3 s VAL 292 Ca 0.03 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2nn3 s VAL 292 Cb -0.23 -2.12 0.14 0.00 0.00 0.00 0.00 36.38 34.18 2nn3 s VAL 292 CO 0.02 0.50 0.77 0.49 0.00 0.00 0.00 175.10 176.88