#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2r n ALA 2 N 0.00 -0.87 -1.40 4.61 0.00 -1.26 -4.87 120.51 116.72 1t2r n ALA 2 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1t2r n ALA 2 Cb 0.00 -3.03 0.07 0.00 0.00 0.00 0.00 19.45 16.49 1t2r n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1t2r n MET 3 N -3.59 2.77 -3.97 0.00 0.00 -1.26 -4.87 117.12 106.20 1t2r n MET 3 Ca -0.14 -3.37 -0.35 0.00 0.00 0.00 0.00 57.70 53.84 1t2r n MET 3 Cb 0.63 -2.29 -0.14 0.00 0.00 0.00 0.00 33.22 31.42 1t2r n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t2r s ALA 4 N -3.81 2.74 -0.08 3.04 0.00 -1.26 -1.69 121.76 120.69 1t2r s ALA 4 Ca 0.64 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1t2r s ALA 4 Cb 0.50 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 1t2r s ALA 4 CO -0.01 -0.39 -0.16 -1.64 0.00 0.00 0.00 175.76 173.55 1t2r s MET 5 N 1.41 2.85 0.14 0.00 1.00 0.70 -4.95 119.30 120.46 1t2r s MET 5 Ca 0.05 -0.74 -0.31 0.00 0.00 0.00 0.00 55.69 54.69 1t2r s MET 5 Cb -0.14 -2.43 -0.11 0.00 0.00 0.00 0.00 34.83 32.16 1t2r s MET 5 CO -0.04 0.41 1.83 -2.30 0.00 0.00 0.00 175.02 174.92 1t2r n PRO 6 N 2.92 2.83 0.25 2.03 -0.02 -1.26 0.11 135.00 141.86 1t2r n PRO 6 Ca -0.18 1.03 0.10 0.00 -2.02 0.00 0.00 63.50 62.43 1t2r n PRO 6 Cb 0.52 -2.92 0.69 0.00 -0.02 0.00 0.00 33.50 31.77 1t2r n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t2r h MET 7 N 8.38 0.00 -0.26 -0.52 2.86 -1.33 0.21 114.93 124.27 1t2r h MET 7 Ca -0.46 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1t2r h MET 7 Cb 1.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1t2r h MET 7 CO 0.95 0.00 -0.04 0.82 1.06 0.00 0.00 176.91 179.70 1t2r h ILE 8 N 0.00 1.27 -0.17 -1.22 1.08 -1.82 -2.69 117.51 113.97 1t2r h ILE 8 Ca 0.01 -1.02 -0.06 0.00 -0.39 0.00 0.00 64.86 63.40 1t2r h ILE 8 Cb 0.05 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 1t2r h ILE 8 CO -0.00 0.32 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.53 1t2r h GLU 9 N 0.25 0.28 -0.74 2.37 4.81 -1.24 -0.95 114.58 119.36 1t2r h GLU 9 Ca 0.07 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1t2r h GLU 9 Cb 0.49 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 1t2r h GLU 9 CO 0.02 0.45 0.43 -0.92 -0.73 0.00 0.00 179.01 178.26 1t2r h TYR 10 N 0.26 0.78 -0.25 0.92 3.20 -0.55 -0.45 116.97 120.89 1t2r h TYR 10 Ca 0.05 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 1t2r h TYR 10 Cb 0.46 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1t2r h TYR 10 CO 0.01 0.37 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.62 1t2r h LEU 11 N 0.77 0.61 -0.37 2.82 3.38 -0.98 -1.90 115.31 119.63 1t2r h LEU 11 Ca 0.34 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1t2r h LEU 11 Cb 0.22 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1t2r h LEU 11 CO -0.19 0.94 0.06 -0.33 0.09 0.00 0.00 178.44 179.01 1t2r h GLU 12 N 0.29 0.18 0.01 1.13 5.08 -0.62 0.32 114.58 120.97 1t2r h GLU 12 Ca 0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1t2r h GLU 12 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1t2r h GLU 12 CO 0.05 0.12 -0.08 0.00 -1.00 0.00 0.00 179.01 178.10 1t2r h ARG 13 N 0.18 0.04 0.06 2.33 3.08 -1.13 -0.46 114.38 118.48 1t2r h ARG 13 Ca 0.18 -0.05 -0.38 0.00 0.07 0.00 0.00 59.98 59.80 1t2r h ARG 13 Cb 0.22 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1t2r h ARG 13 CO -0.24 0.96 -2.23 1.19 -1.07 0.00 0.00 179.97 178.57 1t2r n PHE 14 N -4.59 0.64 -0.10 3.04 3.72 -0.72 -4.14 117.46 115.31 1t2r n PHE 14 Ca -0.10 0.14 -0.19 0.00 -0.05 0.00 0.00 57.45 57.25 1t2r n PHE 14 Cb 0.48 -1.08 -0.09 0.00 -0.94 0.00 0.00 39.48 37.85 1t2r n PHE 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1t2r n SER 15 N -3.37 1.86 0.01 4.37 2.88 0.16 -4.52 113.62 115.01 1t2r n SER 15 Ca -0.39 0.46 0.09 0.00 -1.33 0.00 0.00 58.87 57.70 1t2r n SER 15 Cb 1.02 -0.93 -0.13 0.00 -0.75 0.00 0.00 64.21 63.42 1t2r n SER 15 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1t2r n LEU 16 N -4.46 0.21 -1.41 2.46 4.77 0.88 -4.96 117.00 114.50 1t2r n LEU 16 Ca -0.29 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.60 1t2r n LEU 16 Cb 0.61 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1t2r n LEU 16 CO 0.16 0.01 -0.17 0.29 -1.33 0.00 0.00 177.39 176.34 1t2r n LYS 17 N -2.41 -1.22 -3.72 3.23 4.76 -0.36 -4.95 118.16 113.49 1t2r n LYS 17 Ca -0.06 1.06 -0.12 0.00 -2.87 0.00 0.00 58.31 56.33 1t2r n LYS 17 Cb 0.62 -5.32 -0.07 0.00 -1.84 0.00 0.00 35.03 28.42 1t2r n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2r s ALA 18 N -2.67 -0.81 0.06 7.82 0.00 -0.33 -4.96 121.76 120.88 1t2r s ALA 18 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.77 1t2r s ALA 18 Cb 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 23.12 23.37 1t2r s ALA 18 CO 0.00 -0.43 1.54 0.21 0.00 0.00 0.00 175.76 177.08 1t2r s LYS 19 N -2.52 4.24 0.31 0.00 2.47 -1.26 -4.30 119.74 118.69 1t2r s LYS 19 Ca -0.05 2.19 -0.29 0.00 -1.56 0.00 0.00 55.97 56.26 1t2r s LYS 19 Cb -0.01 -3.50 -0.11 0.00 -1.46 0.00 0.00 37.83 32.75 1t2r s LYS 19 CO -0.03 -0.64 1.53 0.42 0.16 0.00 0.00 175.35 176.79 1t2r s ILE 20 N 2.22 2.16 0.21 5.43 -1.09 -1.26 -5.01 121.20 123.87 1t2r s ILE 20 Ca 0.69 0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 59.23 1t2r s ILE 20 Cb -0.37 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1t2r s ILE 20 CO 0.30 0.03 0.21 0.21 -1.23 0.00 0.00 174.94 174.45 1t2r s ASN 21 N 0.25 0.16 0.54 3.58 2.47 -1.26 -5.03 114.94 115.64 1t2r s ASN 21 Ca 0.59 -1.31 0.29 0.00 0.42 0.00 0.00 52.86 52.85 1t2r s ASN 21 Cb -0.46 0.43 1.53 0.00 -1.45 0.00 0.00 41.25 41.29 1t2r s ASN 21 CO 0.52 -0.91 2.09 -1.13 -3.72 0.00 0.00 177.10 173.95 1t2r h ASN 22 N 2.53 0.00 0.00 -4.21 -0.73 -1.95 -2.24 115.58 108.97 1t2r h ASN 22 Ca -0.34 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.83 1t2r h ASN 22 Cb 1.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.84 1t2r h ASN 22 CO 0.49 0.10 -0.06 0.35 -0.37 0.00 0.00 177.43 177.93 1t2r n THR 23 N -3.55 0.00 -2.91 -3.57 -2.24 -1.26 -4.88 114.28 95.86 1t2r n THR 23 Ca -0.02 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 1t2r n THR 23 Cb 0.23 0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1t2r n THR 23 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t2r s THR 24 N -2.09 4.86 -0.71 4.28 -4.23 -0.85 -4.99 115.64 111.91 1t2r s THR 24 Ca 0.31 1.53 -0.26 0.00 -1.18 0.00 0.00 61.69 62.09 1t2r s THR 24 Cb 0.20 -4.10 0.04 0.00 1.34 0.00 0.00 72.50 69.98 1t2r s THR 24 CO 0.36 -0.05 1.22 0.20 -0.54 0.00 0.00 174.62 175.81 1t2r s ASN 25 N 1.33 6.19 0.51 3.99 0.01 -1.26 -4.84 114.94 120.86 1t2r s ASN 25 Ca 0.34 -0.48 0.26 0.00 -0.71 0.00 0.00 52.86 52.26 1t2r s ASN 25 Cb -0.15 -2.54 1.38 0.00 0.41 0.00 0.00 41.25 40.35 1t2r s ASN 25 CO 0.08 -1.75 2.06 -0.07 -1.51 0.00 0.00 177.10 175.91 1t2r h LEU 26 N 12.67 0.00 -0.81 0.60 -0.00 -1.89 -3.27 115.31 122.61 1t2r h LEU 26 Ca -0.28 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 57.75 1t2r h LEU 26 Cb 1.05 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.56 1t2r h LEU 26 CO 1.26 0.13 -0.27 -0.78 -0.00 0.00 0.00 178.44 178.78 1t2r h ASP 27 N 0.00 -0.99 -1.00 -0.43 1.82 -1.86 0.68 116.42 114.65 1t2r h ASP 27 Ca -0.00 0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.94 1t2r h ASP 27 Cb 0.34 0.58 -0.06 0.00 0.68 0.00 0.00 39.33 40.87 1t2r h ASP 27 CO 0.02 -0.29 0.65 1.88 -1.61 0.00 0.00 179.24 179.89 1t2r h TYR 28 N -0.04 1.21 0.05 0.28 0.05 -1.98 -2.24 116.97 114.30 1t2r h TYR 28 Ca 0.35 0.03 -0.37 0.00 0.05 0.00 0.00 58.73 58.79 1t2r h TYR 28 Cb 0.60 -0.40 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 1t2r h TYR 28 CO -0.70 0.67 -2.26 0.43 -1.05 0.00 0.00 178.16 175.26 1t2r n SER 29 N -4.46 1.83 -0.26 3.88 7.64 -0.63 -4.23 113.62 117.39 1t2r n SER 29 Ca 0.14 0.03 0.04 0.00 1.01 0.00 0.00 58.87 60.09 1t2r n SER 29 Cb 0.13 -0.45 0.17 0.00 -1.01 0.00 0.00 64.21 63.05 1t2r n SER 29 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1t2r h ARG 30 N 0.03 0.54 -0.31 1.43 9.65 0.45 0.27 114.38 126.45 1t2r h ARG 30 Ca -0.51 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.32 1t2r h ARG 30 Cb 1.98 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 30.42 1t2r h ARG 30 CO -0.01 0.36 0.10 0.07 2.80 0.00 0.00 179.97 183.29 1t2r h ARG 31 N 0.56 0.44 0.00 0.20 -0.00 -1.61 -1.69 114.38 112.28 1t2r h ARG 31 Ca 0.40 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 60.32 1t2r h ARG 31 Cb 0.52 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1t2r h ARG 31 CO -0.33 0.39 -0.73 1.97 -0.00 0.00 0.00 179.97 181.26 1t2r n PHE 32 N -4.39 0.18 0.58 4.08 1.16 0.14 -3.19 117.46 116.02 1t2r n PHE 32 Ca 0.01 0.05 0.12 0.00 -1.87 0.00 0.00 57.45 55.77 1t2r n PHE 32 Cb 0.15 -0.35 0.25 0.00 -1.61 0.00 0.00 39.48 37.92 1t2r n PHE 32 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1t2r h LEU 33 N 0.00 0.00 -0.87 5.98 3.38 0.16 -3.38 115.31 120.58 1t2r h LEU 33 Ca 0.00 -0.13 0.15 0.00 0.09 0.00 0.00 57.88 57.99 1t2r h LEU 33 Cb 0.61 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.21 1t2r h LEU 33 CO 0.00 0.06 -0.34 -0.33 0.09 0.00 0.00 178.44 177.92 1t2r h GLU 34 N 0.00 -0.04 0.00 1.13 5.08 -1.29 0.36 114.58 119.81 1t2r h GLU 34 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1t2r h GLU 34 Cb 0.75 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1t2r h GLU 34 CO 0.00 -0.03 -0.04 -1.00 -1.00 0.00 0.00 179.01 176.94 1t2r h PRO 35 N -0.04 0.00 0.16 2.33 0.13 -1.82 0.15 132.00 132.90 1t2r h PRO 35 Ca 0.34 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.17 1t2r h PRO 35 Cb 0.60 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.74 1t2r h PRO 35 CO -0.90 0.04 -1.46 0.35 -0.23 0.00 0.00 178.00 175.80 1t2r h PHE 36 N 0.00 0.60 0.00 1.56 3.57 -1.31 -3.34 116.94 118.02 1t2r h PHE 36 Ca -0.00 -0.44 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1t2r h PHE 36 Cb 0.12 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1t2r h PHE 36 CO 0.00 1.57 -0.21 -0.07 -2.23 0.00 0.00 178.31 177.37 1t2r h LEU 37 N -0.14 0.00 -8.51 0.59 3.38 -0.53 -3.42 115.31 106.69 1t2r h LEU 37 Ca -0.29 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.20 1t2r h LEU 37 Cb 1.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1t2r h LEU 37 CO 0.13 0.21 1.39 -0.60 0.09 0.00 0.00 178.44 179.66 1t2r s ARG 38 N -3.59 2.48 0.00 1.13 3.52 0.49 -2.09 118.95 120.89 1t2r s ARG 38 Ca 0.01 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 1t2r s ARG 38 Cb 0.10 -4.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 1t2r s ARG 38 CO 0.63 -2.91 0.00 0.41 -0.81 0.00 0.00 175.30 172.63 1t2r n GLY 39 N 5.82 1.78 3.87 8.12 0.00 0.14 -4.98 105.19 119.95 1t2r n GLY 39 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1t2r n GLY 39 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t2r s ILE 40 N -2.00 5.09 -0.23 -0.61 -4.36 -0.89 -4.90 121.20 113.30 1t2r s ILE 40 Ca 0.00 -0.56 -0.07 0.00 -0.26 0.00 0.00 60.65 59.76 1t2r s ILE 40 Cb 0.00 -3.49 -0.03 0.00 1.25 0.00 0.00 42.46 40.19 1t2r s ILE 40 CO 0.00 0.11 0.07 0.54 0.24 0.00 0.00 174.94 175.89 1t2r s ASN 41 N -2.56 5.27 -0.02 4.36 4.22 -1.26 -0.04 114.94 124.92 1t2r s ASN 41 Ca 0.33 -0.12 0.05 0.00 -2.14 0.00 0.00 52.86 50.97 1t2r s ASN 41 Cb -0.12 -1.93 -0.01 0.00 1.28 0.00 0.00 41.25 40.46 1t2r s ASN 41 CO 0.26 0.03 -0.16 0.68 -2.04 0.00 0.00 177.10 175.87 1t2r s VAL 42 N 1.25 1.27 -0.54 3.54 -7.23 -0.28 -4.38 120.40 114.03 1t2r s VAL 42 Ca 0.05 -0.68 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 1t2r s VAL 42 Cb -0.14 -1.07 0.06 0.00 0.56 0.00 0.00 36.38 35.79 1t2r s VAL 42 CO 0.03 0.36 0.73 -0.69 -0.31 0.00 0.00 175.10 175.23 1t2r s VAL 43 N -0.29 4.72 -0.07 1.32 1.01 -0.10 -0.22 120.40 126.77 1t2r s VAL 43 Ca 0.04 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1t2r s VAL 43 Cb -0.07 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1t2r s VAL 43 CO -0.00 -0.97 1.00 -0.31 0.00 0.00 0.00 175.10 174.81 1t2r s TYR 44 N 3.03 3.56 -0.54 5.22 2.02 0.63 -0.13 117.35 131.15 1t2r s TYR 44 Ca 0.18 1.63 -0.18 0.00 -0.37 0.00 0.00 57.07 58.33 1t2r s TYR 44 Cb -0.18 -3.17 0.08 0.00 -0.40 0.00 0.00 41.96 38.29 1t2r s TYR 44 CO 0.12 -0.15 0.61 0.99 -1.57 0.00 0.00 175.55 175.54 1t2r s THR 45 N 1.67 4.94 0.04 -0.71 2.01 0.46 -1.82 115.64 122.23 1t2r s THR 45 Ca 0.50 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 61.41 1t2r s THR 45 Cb -0.19 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 67.91 1t2r s THR 45 CO 0.21 -0.90 0.64 -2.16 -0.69 0.00 0.00 174.62 171.73 1t2r s PRO 46 N 2.40 4.35 0.11 4.92 0.04 -1.26 -4.82 135.00 140.73 1t2r s PRO 46 Ca 0.11 0.84 -0.36 0.00 0.04 0.00 0.00 61.00 61.63 1t2r s PRO 46 Cb -0.23 -3.31 -0.16 0.00 0.04 0.00 0.00 34.50 30.84 1t2r s PRO 46 CO 0.08 0.44 1.45 -2.30 0.04 0.00 0.00 177.00 176.71 1t2r n PRO 47 N 2.38 1.56 0.08 0.56 -0.02 -1.26 -4.80 135.00 133.50 1t2r n PRO 47 Ca -0.07 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1t2r n PRO 47 Cb 0.51 -2.26 0.24 0.00 -0.02 0.00 0.00 33.50 31.97 1t2r n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t2r n GLN 48 N 2.97 0.06 0.28 -0.52 10.64 -1.26 -0.45 117.38 129.09 1t2r n GLN 48 Ca 0.18 0.52 0.19 0.00 -1.83 0.00 0.00 57.00 56.06 1t2r n GLN 48 Cb 0.23 -1.76 0.92 0.00 -0.86 0.00 0.00 30.24 28.77 1t2r n GLN 48 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1t2r h SER 49 N 0.00 0.00 0.40 2.61 0.02 -1.87 -1.16 113.55 113.56 1t2r h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t2r h SER 49 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1t2r h SER 49 CO 0.00 0.00 -0.31 0.49 -1.14 0.00 0.00 176.83 175.87 1t2r n PHE 50 N -2.86 0.00 -2.49 3.45 3.72 0.41 -4.93 117.46 114.75 1t2r n PHE 50 Ca -0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.20 1t2r n PHE 50 Cb 0.13 -0.20 -0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1t2r n PHE 50 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1t2r n GLN 51 N -1.07 -2.16 -4.47 -1.08 6.02 -0.44 -4.97 117.38 109.22 1t2r n GLN 51 Ca 0.10 0.89 -0.23 0.00 -0.01 0.00 0.00 57.00 57.75 1t2r n GLN 51 Cb 0.33 -5.56 -0.10 0.00 1.02 0.00 0.00 30.24 25.93 1t2r n GLN 51 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1t2r s SER 52 N -2.12 3.33 0.31 1.08 0.01 -1.26 -5.14 113.70 109.91 1t2r s SER 52 Ca 0.04 -1.11 0.07 0.00 1.31 0.00 0.00 55.95 56.26 1t2r s SER 52 Cb -0.02 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1t2r s SER 52 CO 0.05 -0.14 0.26 0.00 0.41 0.00 0.00 173.24 173.82 1t2r s ALA 53 N -2.70 3.77 0.13 1.44 0.00 -1.26 -4.81 121.76 118.32 1t2r s ALA 53 Ca 0.30 -1.59 -0.35 0.00 0.00 0.00 0.00 51.96 50.32 1t2r s ALA 53 Cb -0.00 -1.21 -0.16 0.00 0.00 0.00 0.00 23.12 21.75 1t2r s ALA 53 CO 0.14 0.08 1.32 -2.30 0.00 0.00 0.00 175.76 175.00 1t2r n PRO 54 N -1.32 1.31 -4.07 0.00 -0.02 -1.26 -4.75 135.00 124.89 1t2r n PRO 54 Ca -0.03 0.47 -0.17 0.00 -2.02 0.00 0.00 63.50 61.75 1t2r n PRO 54 Cb 0.59 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 1t2r n PRO 54 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1t2r s ARG 55 N 0.25 0.44 0.06 -0.52 3.52 -0.75 -4.92 118.95 117.02 1t2r s ARG 55 Ca 0.80 -0.08 -0.27 0.00 -0.13 0.00 0.00 55.73 56.05 1t2r s ARG 55 Cb -0.88 -0.49 -0.05 0.00 -1.56 0.00 0.00 34.95 31.97 1t2r s ARG 55 CO 0.47 -0.01 0.86 0.08 -0.81 0.00 0.00 175.30 175.89 1t2r s VAL 56 N 0.44 4.68 0.02 7.11 1.01 -1.26 -0.26 120.40 132.14 1t2r s VAL 56 Ca -0.05 1.83 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1t2r s VAL 56 Cb -0.08 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1t2r s VAL 56 CO -0.01 0.32 -0.20 -0.31 0.00 0.00 0.00 175.10 174.91 1t2r s TYR 57 N 0.13 1.72 -0.60 5.22 2.02 0.69 -4.91 117.35 121.62 1t2r s TYR 57 Ca 0.43 -0.35 -0.21 0.00 -0.37 0.00 0.00 57.07 56.57 1t2r s TYR 57 Cb -0.21 -1.06 0.07 0.00 -0.40 0.00 0.00 41.96 40.36 1t2r s TYR 57 CO 0.26 0.04 0.83 0.50 -1.57 0.00 0.00 175.55 175.61 1t2r s ARG 58 N -0.91 3.12 -0.19 -0.62 6.06 -1.26 -1.12 118.95 124.03 1t2r s ARG 58 Ca 0.07 -0.91 -0.29 0.00 -2.50 0.00 0.00 55.73 52.10 1t2r s ARG 58 Cb -0.08 -4.20 -0.02 0.00 0.06 0.00 0.00 34.95 30.71 1t2r s ARG 58 CO 0.01 -1.60 1.44 0.08 -2.50 0.00 0.00 175.30 172.72 1t2r s VAL 59 N 3.43 3.96 -0.77 7.11 1.01 0.95 -3.05 120.40 133.04 1t2r s VAL 59 Ca 0.19 1.13 0.22 0.00 0.00 0.00 0.00 61.98 63.53 1t2r s VAL 59 Cb -0.19 -3.85 -0.16 0.00 0.00 0.00 0.00 36.38 32.18 1t2r s VAL 59 CO 0.10 -0.23 0.98 -3.20 0.00 0.00 0.00 175.10 172.76 1t2r n ASN 60 N 7.40 0.68 0.00 3.32 5.15 -0.37 0.29 115.26 131.73 1t2r n ASN 60 Ca 0.16 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1t2r n ASN 60 Cb 0.45 0.91 0.00 0.00 -0.53 0.00 0.00 39.78 40.61 1t2r n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1t2r n GLY 61 N 1.43 -0.62 3.20 8.20 0.00 -0.49 -4.55 105.19 112.35 1t2r n GLY 61 Ca 0.03 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1t2r n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2r s LEU 62 N 0.00 2.40 0.38 0.99 1.43 -1.26 -0.29 118.68 122.33 1t2r s LEU 62 Ca 0.00 -1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 51.88 1t2r s LEU 62 Cb 0.00 -0.09 -0.09 0.00 0.03 0.00 0.00 46.19 46.03 1t2r s LEU 62 CO 0.00 -0.48 0.83 -0.55 0.23 0.00 0.00 176.35 176.38 1t2r s SER 63 N -3.09 6.80 0.00 2.29 0.15 0.09 -4.46 113.70 115.48 1t2r s SER 63 Ca 0.16 1.43 0.27 0.00 0.70 0.00 0.00 55.95 58.51 1t2r s SER 63 Cb 0.05 -2.44 1.27 0.00 -1.71 0.00 0.00 66.02 63.20 1t2r s SER 63 CO -0.02 -0.31 1.90 -1.14 1.20 0.00 0.00 173.24 174.88 1t2r n ARG 64 N -0.64 0.21 -3.87 5.44 3.00 -1.26 -4.77 116.66 114.77 1t2r n ARG 64 Ca 0.05 0.03 -0.11 0.00 -0.00 0.00 0.00 57.85 57.82 1t2r n ARG 64 Cb 0.54 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.39 1t2r n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t2r s ALA 65 N -2.77 -0.26 0.98 5.13 0.00 -1.26 -5.15 121.76 118.43 1t2r s ALA 65 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1t2r s ALA 65 Cb 0.18 0.01 0.18 0.00 0.00 0.00 0.00 23.12 23.49 1t2r s ALA 65 CO 0.45 -0.16 1.10 -2.14 0.00 0.00 0.00 175.76 175.01 1t2r s PRO 66 N -0.94 0.56 0.24 0.00 0.02 -1.26 -4.42 135.00 129.20 1t2r s PRO 66 Ca -0.10 1.17 0.20 0.00 0.02 0.00 0.00 61.00 62.29 1t2r s PRO 66 Cb -0.06 -1.70 0.94 0.00 0.02 0.00 0.00 34.50 33.70 1t2r s PRO 66 CO 0.01 -2.82 1.61 0.00 -0.33 0.00 0.00 177.00 175.47 1t2r n ALA 67 N -4.33 1.37 1.18 -1.55 0.00 -1.14 -0.36 120.51 115.69 1t2r n ALA 67 Ca 0.08 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1t2r n ALA 67 Cb 0.53 -1.32 0.39 0.00 0.00 0.00 0.00 19.45 19.06 1t2r n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t2r n SER 68 N -2.13 0.71 -0.07 0.00 2.88 -1.26 -1.30 113.62 112.45 1t2r n SER 68 Ca 0.01 -0.56 -0.09 0.00 -1.33 0.00 0.00 58.87 56.90 1t2r n SER 68 Cb 0.13 0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 1t2r n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t2r n SER 69 N -1.01 1.95 -4.69 -3.46 7.64 0.52 -4.94 113.62 109.63 1t2r n SER 69 Ca 0.10 -0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 1t2r n SER 69 Cb 0.33 0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.96 1t2r n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1t2r s GLU 70 N -2.34 4.37 0.00 1.43 2.02 -1.02 -5.01 118.70 118.16 1t2r s GLU 70 Ca -0.12 1.08 0.08 0.00 0.02 0.00 0.00 54.97 56.03 1t2r s GLU 70 Cb 0.05 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 1t2r s GLU 70 CO 0.51 -0.21 -0.24 0.99 0.02 0.00 0.00 175.26 176.33 1t2r s THR 71 N 1.72 2.29 0.10 3.63 2.01 -1.26 -1.76 115.64 122.36 1t2r s THR 71 Ca 0.41 -1.16 0.05 0.00 0.31 0.00 0.00 61.69 61.30 1t2r s THR 71 Cb -0.18 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1t2r s THR 71 CO 0.16 0.48 -0.14 0.72 -0.69 0.00 0.00 174.62 175.16 1t2r s PHE 72 N -0.72 1.28 -0.34 4.92 -0.71 0.49 -4.92 117.98 117.97 1t2r s PHE 72 Ca 0.11 -0.53 -0.13 0.00 -1.04 0.00 0.00 56.93 55.35 1t2r s PHE 72 Cb -0.10 -0.69 -0.02 0.00 -1.21 0.00 0.00 43.02 41.00 1t2r s PHE 72 CO 0.01 0.09 0.24 -2.00 -1.34 0.00 0.00 175.22 172.22 1t2r s GLU 73 N -2.27 3.50 -0.10 1.99 -6.30 -1.26 -0.34 118.70 113.92 1t2r s GLU 73 Ca 0.04 -0.63 -0.01 0.00 -2.50 0.00 0.00 54.97 51.86 1t2r s GLU 73 Cb -0.07 -3.81 0.03 0.00 0.00 0.00 0.00 34.13 30.28 1t2r s GLU 73 CO 0.02 -0.45 -0.05 -1.58 0.02 0.00 0.00 175.26 173.22 1t2r s HIS 74 N 1.73 1.24 -1.18 5.30 2.46 0.15 -4.78 115.29 120.21 1t2r s HIS 74 Ca 0.06 -0.57 0.00 0.00 0.47 0.00 0.00 55.06 55.02 1t2r s HIS 74 Cb -0.17 -1.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.17 1t2r s HIS 74 CO 0.11 -0.46 0.00 -3.47 -2.47 0.00 0.00 174.74 168.45 1t2r n ASP 75 N 5.00 -4.23 0.00 9.88 2.03 -1.26 -2.24 116.55 125.74 1t2r n ASP 75 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1t2r n ASP 75 Cb 0.50 -3.38 0.00 0.00 -0.72 0.00 0.00 41.12 37.52 1t2r n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2r n GLY 76 N -1.03 0.57 2.92 0.27 0.00 -1.26 -5.04 105.19 101.62 1t2r n GLY 76 Ca -0.16 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1t2r n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2r s LYS 77 N -1.10 1.35 -0.62 1.61 -0.14 -0.95 -5.09 119.74 114.81 1t2r s LYS 77 Ca 0.00 -0.23 -0.27 0.00 -1.36 0.00 0.00 55.97 54.11 1t2r s LYS 77 Cb 0.00 -1.35 0.03 0.00 -1.68 0.00 0.00 37.83 34.83 1t2r s LYS 77 CO 0.00 -0.17 1.16 0.15 -0.76 0.00 0.00 175.35 175.73 1t2r s LYS 78 N 1.36 3.37 0.04 1.68 1.02 -1.26 -0.68 119.74 125.27 1t2r s LYS 78 Ca -0.02 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.01 1t2r s LYS 78 Cb -0.14 -4.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.07 1t2r s LYS 78 CO -0.04 -1.78 -0.22 0.14 -0.92 0.00 0.00 175.35 172.53 1t2r s VAL 79 N 4.95 1.79 0.72 3.17 -7.23 0.53 -4.88 120.40 119.45 1t2r s VAL 79 Ca 0.38 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 59.19 1t2r s VAL 79 Cb -0.09 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1t2r s VAL 79 CO 0.21 0.26 1.09 0.42 -0.31 0.00 0.00 175.10 176.76 1t2r s THR 80 N -0.79 3.52 0.32 5.32 -4.23 -1.26 -0.38 115.64 118.14 1t2r s THR 80 Ca 0.09 0.49 0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1t2r s THR 80 Cb -0.09 -3.41 0.29 0.00 1.34 0.00 0.00 72.50 70.63 1t2r s THR 80 CO 0.02 -0.64 1.90 0.40 -0.54 0.00 0.00 174.62 175.75 1t2r h ILE 81 N -0.74 0.98 0.00 2.99 1.08 -0.84 0.32 117.51 121.30 1t2r h ILE 81 Ca -0.45 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.67 1t2r h ILE 81 Cb 1.25 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1t2r h ILE 81 CO 0.62 0.16 -0.20 0.00 -0.69 0.00 0.00 178.15 178.05 1t2r h ALA 82 N 1.55 1.51 -0.01 1.87 0.00 -1.48 -1.72 119.26 120.98 1t2r h ALA 82 Ca 0.41 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1t2r h ALA 82 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1t2r h ALA 82 CO -0.17 0.24 -0.73 0.77 0.00 0.00 0.00 179.25 179.37 1t2r h SER 83 N 0.00 0.06 -0.12 0.00 0.02 -1.22 -0.15 113.55 112.14 1t2r h SER 83 Ca -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1t2r h SER 83 Cb 0.38 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1t2r h SER 83 CO 0.03 0.77 0.04 0.22 -1.14 0.00 0.00 176.83 176.75 1t2r h TYR 84 N 0.03 0.19 -0.38 3.45 3.20 -0.82 -0.55 116.97 122.08 1t2r h TYR 84 Ca -0.01 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 1t2r h TYR 84 Cb 1.29 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1t2r h TYR 84 CO 0.01 0.29 -0.24 0.74 -1.64 0.00 0.00 178.16 177.32 1t2r h PHE 85 N 0.03 0.89 -0.80 -3.82 0.04 -1.46 -2.74 116.94 109.07 1t2r h PHE 85 Ca 0.04 -0.21 0.09 0.00 2.80 0.00 0.00 57.97 60.69 1t2r h PHE 85 Cb 0.19 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 1t2r h PHE 85 CO -0.01 0.94 0.52 1.25 -0.60 0.00 0.00 178.31 180.41 1t2r h HIS 86 N 0.67 0.82 0.00 -0.55 2.76 -0.80 0.12 115.15 118.18 1t2r h HIS 86 Ca 0.09 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1t2r h HIS 86 Cb 0.75 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1t2r h HIS 86 CO 0.04 0.40 -0.19 0.77 -1.30 0.00 0.00 177.93 177.64 1t2r h SER 87 N 0.78 0.00 -0.44 3.26 0.02 -0.80 -2.74 113.55 113.64 1t2r h SER 87 Ca 0.36 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.11 1t2r h SER 87 Cb 0.38 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.80 1t2r h SER 87 CO -0.14 0.19 0.25 0.54 -1.14 0.00 0.00 176.83 176.54 1t2r n ARG 88 N -3.47 1.86 -1.99 3.45 5.12 0.32 -4.80 116.66 117.15 1t2r n ARG 88 Ca -0.01 -1.46 -0.19 0.00 -1.93 0.00 0.00 57.85 54.26 1t2r n ARG 88 Cb 0.37 -1.63 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 1t2r n ARG 88 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1t2r n ASN 89 N -0.17 -5.44 -3.43 0.55 2.85 -1.03 -4.79 115.26 103.80 1t2r n ASN 89 Ca 0.26 0.21 -0.26 0.00 -0.11 0.00 0.00 54.58 54.67 1t2r n ASN 89 Cb 0.99 -4.55 -0.09 0.00 1.24 0.00 0.00 39.78 37.38 1t2r n ASN 89 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1t2r n TYR 90 N -3.29 1.95 -1.96 1.20 4.19 -0.72 -5.02 117.16 113.51 1t2r n TYR 90 Ca -0.21 -3.92 -0.43 0.00 3.31 0.00 0.00 57.90 56.65 1t2r n TYR 90 Cb 0.65 -0.42 -0.03 0.00 0.49 0.00 0.00 39.34 40.04 1t2r n TYR 90 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1t2r s PRO 91 N -1.67 3.75 0.02 2.98 0.04 -1.26 -3.03 135.00 135.82 1t2r s PRO 91 Ca 0.35 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1t2r s PRO 91 Cb 0.11 -4.11 -0.08 0.00 0.04 0.00 0.00 34.50 30.47 1t2r s PRO 91 CO -0.09 -1.37 1.75 -0.51 0.04 0.00 0.00 177.00 176.82 1t2r s LEU 92 N 5.58 4.37 0.36 -3.56 1.43 -1.26 -4.86 118.68 120.74 1t2r s LEU 92 Ca 0.79 2.46 0.19 0.00 -1.03 0.00 0.00 54.13 56.54 1t2r s LEU 92 Cb -0.29 -3.54 0.31 0.00 0.03 0.00 0.00 46.19 42.69 1t2r s LEU 92 CO 0.32 -0.95 1.57 0.11 0.23 0.00 0.00 176.35 177.62 1t2r h LYS 93 N 9.40 0.00 -2.12 1.70 1.57 -2.02 -3.37 116.57 121.74 1t2r h LYS 93 Ca -0.43 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.77 1t2r h LYS 93 Cb 1.20 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 1t2r h LYS 93 CO 0.94 0.29 -0.95 1.19 -0.57 0.00 0.00 179.45 180.36 1t2r n PHE 94 N -3.21 0.74 0.70 -1.35 3.72 -1.26 -4.77 117.46 112.03 1t2r n PHE 94 Ca 0.02 -3.72 0.08 0.00 -0.05 0.00 0.00 57.45 53.79 1t2r n PHE 94 Cb 0.62 -0.36 0.40 0.00 -0.94 0.00 0.00 39.48 39.19 1t2r n PHE 94 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1t2r n PRO 95 N 1.40 0.13 -0.77 -1.08 -0.02 -1.26 -3.42 135.00 129.99 1t2r n PRO 95 Ca 0.24 0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1t2r n PRO 95 Cb 0.49 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 32.86 1t2r n PRO 95 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1t2r n GLN 96 N -1.39 4.36 0.00 -0.52 7.27 -1.26 -2.89 117.38 122.95 1t2r n GLN 96 Ca 0.06 -3.03 0.13 0.00 0.07 0.00 0.00 57.00 54.23 1t2r n GLN 96 Cb 0.17 -2.10 0.32 0.00 2.41 0.00 0.00 30.24 31.04 1t2r n GLN 96 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1t2r n LEU 97 N 0.89 1.26 -2.23 1.69 -0.00 -1.22 -3.91 117.00 113.49 1t2r n LEU 97 Ca 0.27 -0.38 -0.01 0.00 -0.00 0.00 0.00 56.01 55.90 1t2r n LEU 97 Cb 1.05 -0.09 -0.01 0.00 -0.00 0.00 0.00 43.42 44.38 1t2r n LEU 97 CO 0.29 0.23 -0.46 1.41 -0.00 0.00 0.00 177.39 178.86 1t2r n HIS 98 N -0.44 -4.25 -1.37 1.47 8.25 -1.26 -4.76 115.22 112.84 1t2r n HIS 98 Ca 0.12 2.52 -0.32 0.00 -0.26 0.00 0.00 57.72 59.79 1t2r n HIS 98 Cb 0.37 -3.64 0.08 0.00 1.12 0.00 0.00 29.99 27.92 1t2r n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t2r s LEU 100 N -5.67 4.36 -1.08 0.00 1.02 0.86 -0.73 118.68 117.45 1t2r s LEU 100 Ca 0.63 1.22 -0.21 0.00 0.02 0.00 0.00 54.13 55.79 1t2r s LEU 100 Cb -0.18 -3.07 0.07 0.00 0.02 0.00 0.00 46.19 43.03 1t2r s LEU 100 CO 0.52 -0.04 1.46 0.21 0.02 0.00 0.00 176.35 178.53 1t2r s ASN 101 N 0.41 6.62 0.57 2.29 2.47 0.61 -0.65 114.94 127.26 1t2r s ASN 101 Ca 0.36 -1.83 0.09 0.00 0.42 0.00 0.00 52.86 51.90 1t2r s ASN 101 Cb -0.18 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 37.16 1t2r s ASN 101 CO 0.19 -1.33 0.71 0.68 -3.72 0.00 0.00 177.10 173.62 1t2r s VAL 102 N 4.31 2.00 0.00 -5.21 -7.23 0.76 -1.24 120.40 113.79 1t2r s VAL 102 Ca 0.46 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1t2r s VAL 102 Cb -0.00 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1t2r s VAL 102 CO -0.06 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1t2r n GLY 103 N -2.15 1.13 2.41 2.32 0.00 -1.17 -1.63 105.19 106.09 1t2r n GLY 103 Ca 0.12 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 1t2r n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t2r n SER 104 N 2.65 -1.20 0.00 1.61 7.64 0.87 -4.80 113.62 120.40 1t2r n SER 104 Ca 0.00 -2.21 -0.15 0.00 1.01 0.00 0.00 58.87 57.52 1t2r n SER 104 Cb 0.00 2.10 -0.04 0.00 -1.01 0.00 0.00 64.21 65.26 1t2r n SER 104 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t2r h SER 105 N 1.35 0.80 -0.12 6.43 0.02 -1.99 -2.27 113.55 117.76 1t2r h SER 105 Ca -0.20 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.20 1t2r h SER 105 Cb 0.82 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1t2r h SER 105 CO 0.27 1.30 -0.02 0.16 -1.14 0.00 0.00 176.83 177.40 1t2r h ILE 106 N 0.46 1.28 -3.56 3.27 3.07 -1.99 -3.30 117.51 116.73 1t2r h ILE 106 Ca -0.05 -0.92 -0.76 0.00 1.55 0.00 0.00 64.86 64.69 1t2r h ILE 106 Cb 1.38 1.64 -0.31 0.00 -0.27 0.00 0.00 36.82 39.26 1t2r h ILE 106 CO 0.15 0.26 0.09 -0.75 -1.05 0.00 0.00 178.15 176.86 1t2r s LYS 107 N -4.82 3.56 -0.58 0.16 2.47 -1.23 -5.01 119.74 114.29 1t2r s LYS 107 Ca -0.14 -2.95 -0.26 0.00 -1.56 0.00 0.00 55.97 51.06 1t2r s LYS 107 Cb 0.05 -4.24 0.04 0.00 -1.46 0.00 0.00 37.83 32.22 1t2r s LYS 107 CO 0.71 -1.25 1.07 -1.54 0.16 0.00 0.00 175.35 174.50 1t2r s SER 108 N 1.03 6.36 -0.15 1.43 1.04 -0.86 -0.09 113.70 122.46 1t2r s SER 108 Ca 0.25 -0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1t2r s SER 108 Cb -0.11 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1t2r s SER 108 CO -0.09 -1.38 -0.14 0.27 0.98 0.00 0.00 173.24 172.88 1t2r s ILE 109 N 4.48 2.81 -0.38 -1.02 -4.36 -0.65 -4.97 121.20 117.12 1t2r s ILE 109 Ca 0.35 -0.73 -0.18 0.00 -0.26 0.00 0.00 60.65 59.84 1t2r s ILE 109 Cb -0.10 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1t2r s ILE 109 CO 0.21 0.51 0.48 -0.76 0.24 0.00 0.00 174.94 175.62 1t2r s LEU 110 N 0.74 4.51 -0.09 0.37 2.01 -1.24 -0.17 118.68 124.82 1t2r s LEU 110 Ca -0.06 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 53.81 1t2r s LEU 110 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 46.19 43.52 1t2r s LEU 110 CO 0.01 -0.51 -0.09 -0.76 1.01 0.00 0.00 176.35 176.01 1t2r s LEU 111 N 2.30 2.99 0.10 1.79 1.43 0.18 -4.74 118.68 122.72 1t2r s LEU 111 Ca 0.16 -0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 52.81 1t2r s LEU 111 Cb -0.16 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 1t2r s LEU 111 CO 0.14 0.29 1.65 -2.84 0.23 0.00 0.00 176.35 175.81 1t2r s PRO 112 N -0.35 4.19 0.60 1.29 0.02 -1.26 -0.09 135.00 139.40 1t2r s PRO 112 Ca 0.04 2.37 0.37 0.00 0.02 0.00 0.00 61.00 63.81 1t2r s PRO 112 Cb -0.12 -3.49 1.91 0.00 0.02 0.00 0.00 34.50 32.82 1t2r s PRO 112 CO 0.02 -0.72 2.20 0.97 -0.33 0.00 0.00 177.00 179.15 1t2r h ILE 113 N 4.60 0.16 0.00 2.83 2.10 -1.92 -0.46 117.51 124.83 1t2r h ILE 113 Ca -0.43 -0.25 -0.02 0.00 1.08 0.00 0.00 64.86 65.24 1t2r h ILE 113 Cb 1.20 1.21 -0.00 0.00 -1.09 0.00 0.00 36.82 38.14 1t2r h ILE 113 CO 0.93 0.03 -0.11 -0.08 -1.08 0.00 0.00 178.15 177.83 1t2r h GLU 114 N 0.00 0.00 -0.01 2.19 4.57 -1.94 -3.06 114.58 116.33 1t2r h GLU 114 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t2r h GLU 114 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1t2r h GLU 114 CO 0.00 0.11 -0.13 1.28 -1.18 0.00 0.00 179.01 179.10 1t2r n LEU 115 N -4.15 1.34 -4.53 1.64 4.77 -0.18 -4.80 117.00 111.10 1t2r n LEU 115 Ca -0.02 -0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 55.21 1t2r n LEU 115 Cb 0.19 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1t2r n LEU 115 CO 0.33 0.23 -0.40 0.00 -1.33 0.00 0.00 177.39 176.23 1t2r s SER 117 N -0.63 5.85 -0.12 0.00 0.01 0.81 -1.20 113.70 118.42 1t2r s SER 117 Ca 0.09 -0.93 -0.28 0.00 1.31 0.00 0.00 55.95 56.15 1t2r s SER 117 Cb -0.11 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1t2r s SER 117 CO 0.02 -0.39 0.92 -0.51 0.41 0.00 0.00 173.24 173.68 1t2r s ILE 118 N 1.60 4.85 -0.18 1.44 2.07 0.12 -0.92 121.20 130.17 1t2r s ILE 118 Ca 0.03 1.85 -0.24 0.00 -1.41 0.00 0.00 60.65 60.87 1t2r s ILE 118 Cb -0.19 -4.23 -0.01 0.00 0.13 0.00 0.00 42.46 38.16 1t2r s ILE 118 CO 0.08 0.05 0.80 -1.83 -1.91 0.00 0.00 174.94 172.12 1t2r s GLU 119 N 1.88 4.27 0.46 3.50 -1.05 -1.26 -0.21 118.70 126.28 1t2r s GLU 119 Ca 0.44 0.94 0.25 0.00 -0.15 0.00 0.00 54.97 56.45 1t2r s GLU 119 Cb -0.18 -3.59 0.55 0.00 -0.44 0.00 0.00 34.13 30.48 1t2r s GLU 119 CO 0.17 -0.34 1.68 1.05 0.95 0.00 0.00 175.26 178.77 1t2r h GLU 120 N 7.41 0.00 -5.73 -4.83 -0.00 -1.71 -3.47 114.58 106.25 1t2r h GLU 120 Ca -0.29 0.00 -0.43 0.00 -0.00 0.00 0.00 59.36 58.64 1t2r h GLU 120 Cb 1.13 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.84 1t2r h GLU 120 CO 0.83 0.03 -0.67 0.41 -0.00 0.00 0.00 179.01 179.61 1t2r n GLY 121 N 0.87 -0.50 0.29 1.06 0.00 -1.26 -4.83 105.19 100.83 1t2r n GLY 121 Ca 0.03 0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.39 1t2r n GLY 121 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t2r h GLN 122 N -1.60 0.00 0.00 1.61 4.20 -1.91 -3.54 115.11 113.87 1t2r h GLN 122 Ca -0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1t2r h GLN 122 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1t2r h GLN 122 CO 0.61 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.78