#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2r s ALA 2 N 0.00 3.61 -1.31 4.61 0.00 -1.26 -4.23 121.76 123.18 1t2r s ALA 2 Ca 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 51.96 49.23 1t2r s ALA 2 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1t2r s ALA 2 CO 0.00 -2.43 1.07 -1.33 0.00 0.00 0.00 175.76 173.07 1t2r n MET 3 N 5.62 -7.10 -2.64 0.00 0.00 -1.26 -3.46 117.12 108.28 1t2r n MET 3 Ca 0.04 0.81 -0.42 0.00 0.00 0.00 0.00 57.70 58.12 1t2r n MET 3 Cb 0.45 -5.80 -0.03 0.00 0.00 0.00 0.00 33.22 27.83 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 -3.36 2.97 -0.18 3.04 0.00 -1.26 -1.55 121.76 121.41 1t2r s ALA 4 Ca 0.34 -1.13 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 1t2r s ALA 4 Cb -0.15 -4.03 -0.02 0.00 0.00 0.00 0.00 23.12 18.92 1t2r s ALA 4 CO 0.74 -2.80 0.70 -1.64 0.00 0.00 0.00 175.76 172.77 1t2r s MET 5 N 4.92 4.25 0.18 0.00 1.00 0.44 -4.81 119.30 125.28 1t2r s MET 5 Ca 0.37 0.77 -0.33 0.00 0.00 0.00 0.00 55.69 56.50 1t2r s MET 5 Cb -0.09 -3.57 -0.14 0.00 0.00 0.00 0.00 34.83 31.03 1t2r s MET 5 CO 0.20 -0.26 1.57 -2.30 0.00 0.00 0.00 175.02 174.23 1t2r n PRO 6 N 5.07 2.21 0.31 2.03 -0.02 -1.26 0.16 135.00 143.49 1t2r n PRO 6 Ca 0.01 0.80 0.17 0.00 -2.02 0.00 0.00 63.50 62.46 1t2r n PRO 6 Cb 0.49 -2.56 0.98 0.00 -0.02 0.00 0.00 33.50 32.40 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 5.70 0.00 -0.05 -0.52 2.86 -1.12 0.94 114.93 122.73 1t2r h MET 7 Ca -0.45 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1t2r h MET 7 Cb 1.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1t2r h MET 7 CO 0.87 0.02 -0.04 0.82 1.06 0.00 0.00 176.91 179.64 1t2r h ILE 8 N 0.00 1.36 -0.88 -1.22 1.08 -1.83 -2.17 117.51 113.85 1t2r h ILE 8 Ca -0.00 -1.14 0.13 0.00 -0.39 0.00 0.00 64.86 63.46 1t2r h ILE 8 Cb 0.07 2.01 -0.07 0.00 -3.07 0.00 0.00 36.82 35.76 1t2r h ILE 8 CO 0.00 0.31 0.57 -0.08 -0.69 0.00 0.00 178.15 178.26 1t2r h GLU 9 N -0.30 0.73 -0.01 2.37 4.57 -1.28 -0.86 114.58 119.80 1t2r h GLU 9 Ca 0.01 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1t2r h GLU 9 Cb 0.52 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1t2r h GLU 9 CO 0.01 0.48 0.01 -0.92 -1.18 0.00 0.00 179.01 177.41 1t2r h TYR 10 N 0.75 0.02 -0.10 0.92 3.20 -0.81 -2.62 116.97 118.33 1t2r h TYR 10 Ca 0.43 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.20 1t2r h TYR 10 Cb 0.61 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1t2r h TYR 10 CO -0.00 0.10 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.13 1t2r h LEU 11 N -0.07 0.24 -0.04 2.82 4.07 -0.71 -1.38 115.31 120.24 1t2r h LEU 11 Ca 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1t2r h LEU 11 Cb 0.09 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1t2r h LEU 11 CO -0.00 0.64 0.02 -0.33 -1.08 0.00 0.00 178.44 177.69 1t2r h GLU 12 N 0.19 0.05 0.16 1.13 5.08 -1.07 0.38 114.58 120.49 1t2r h GLU 12 Ca 0.02 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.08 1t2r h GLU 12 Cb 0.82 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.08 1t2r h GLU 12 CO 0.06 0.05 -1.30 0.00 -1.00 0.00 0.00 179.01 176.83 1t2r h ARG 13 N 0.04 0.41 0.00 2.33 3.08 -1.29 -0.74 114.38 118.21 1t2r h ARG 13 Ca 0.01 -0.66 -0.25 0.00 0.07 0.00 0.00 59.98 59.16 1t2r h ARG 13 Cb 0.01 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1t2r h ARG 13 CO -0.00 1.30 -1.93 1.19 -1.07 0.00 0.00 179.97 179.46 1t2r n PHE 14 N -3.64 0.00 -0.12 3.04 3.72 -0.54 -4.59 117.46 115.33 1t2r n PHE 14 Ca -0.12 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.06 1t2r n PHE 14 Cb 1.03 -0.65 -0.07 0.00 -0.94 0.00 0.00 39.48 38.84 1t2r n PHE 14 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1t2r n SER 15 N -2.65 1.88 -0.01 4.37 7.64 -0.38 -4.71 113.62 119.76 1t2r n SER 15 Ca -0.24 0.32 0.11 0.00 1.01 0.00 0.00 58.87 60.07 1t2r n SER 15 Cb 0.90 -0.76 -0.17 0.00 -1.01 0.00 0.00 64.21 63.16 1t2r n SER 15 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1t2r n LEU 16 N -4.27 0.00 -1.93 -3.43 4.77 0.12 -4.86 117.00 107.40 1t2r n LEU 16 Ca -0.40 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.37 1t2r n LEU 16 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 1t2r n LEU 16 CO 0.08 0.00 -0.23 0.29 -1.33 0.00 0.00 177.39 176.21 1t2r n LYS 17 N -2.26 -1.55 -3.90 3.23 4.76 -0.31 -4.95 118.16 113.18 1t2r n LYS 17 Ca -0.04 1.15 -0.10 0.00 -2.87 0.00 0.00 58.31 56.45 1t2r n LYS 17 Cb 0.57 -5.65 -0.09 0.00 -1.84 0.00 0.00 35.03 28.01 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 -2.89 -0.19 0.02 7.82 0.00 -1.09 -5.00 121.76 120.43 1t2r s ALA 18 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1t2r s ALA 18 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.27 1t2r s ALA 18 CO 0.00 -0.28 1.34 0.21 0.00 0.00 0.00 175.76 177.03 1t2r s LYS 19 N -2.16 4.32 -0.05 0.00 2.20 -1.26 -4.36 119.74 118.42 1t2r s LYS 19 Ca -0.09 1.92 -0.30 0.00 -0.36 0.00 0.00 55.97 57.14 1t2r s LYS 19 Cb -0.04 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1t2r s LYS 19 CO -0.02 -0.50 1.37 0.42 -0.36 0.00 0.00 175.35 176.26 1t2r s ILE 20 N 2.01 3.91 0.46 5.43 -1.09 -1.26 -4.99 121.20 125.66 1t2r s ILE 20 Ca 0.62 1.23 0.02 0.00 -2.23 0.00 0.00 60.65 60.29 1t2r s ILE 20 Cb -0.31 -3.79 0.02 0.00 -1.58 0.00 0.00 42.46 36.80 1t2r s ILE 20 CO 0.27 -0.04 0.20 0.59 -1.23 0.00 0.00 174.94 174.73 1t2r n ASN 21 N 5.79 2.81 0.24 3.58 4.13 -1.26 -5.01 115.26 125.54 1t2r n ASN 21 Ca 0.13 -2.75 0.13 0.00 1.68 0.00 0.00 54.58 53.78 1t2r n ASN 21 Cb 0.44 0.11 0.50 0.00 -1.54 0.00 0.00 39.78 39.30 1t2r n ASN 21 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1t2r h ASN 22 N 0.77 0.00 -0.05 6.41 -1.07 -1.96 -3.07 115.58 116.61 1t2r h ASN 22 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.04 1t2r h ASN 22 Cb 1.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 1t2r h ASN 22 CO 0.53 0.09 0.00 0.35 0.07 0.00 0.00 177.43 178.47 1t2r n THR 23 N -3.20 0.08 -2.88 6.14 -2.24 -1.26 -4.46 114.28 106.46 1t2r n THR 23 Ca 0.01 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 1t2r n THR 23 Cb 0.40 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.20 4.83 -0.49 4.28 -4.23 -1.16 -5.00 115.64 112.67 1t2r s THR 24 Ca 0.18 1.59 -0.29 0.00 -1.18 0.00 0.00 61.69 61.99 1t2r s THR 24 Cb 0.12 -4.12 0.03 0.00 1.34 0.00 0.00 72.50 69.87 1t2r s THR 24 CO 0.18 -0.07 1.21 0.20 -0.54 0.00 0.00 174.62 175.61 1t2r s ASN 25 N 1.32 6.51 0.00 3.99 0.01 -1.26 -4.75 114.94 120.77 1t2r s ASN 25 Ca 0.35 0.44 0.04 0.00 -0.71 0.00 0.00 52.86 52.98 1t2r s ASN 25 Cb -0.15 -2.55 0.20 0.00 0.41 0.00 0.00 41.25 39.16 1t2r s ASN 25 CO 0.07 -1.36 0.75 0.18 -1.51 0.00 0.00 177.10 175.24 1t2r n LEU 26 N 8.24 0.00 0.27 0.60 4.32 -1.26 -3.32 117.00 125.85 1t2r n LEU 26 Ca 0.12 0.07 0.13 0.00 -0.02 0.00 0.00 56.01 56.31 1t2r n LEU 26 Cb 0.49 -0.07 0.76 0.00 -1.62 0.00 0.00 43.42 42.97 1t2r n LEU 26 CO 0.72 -0.06 1.01 -0.78 -1.22 0.00 0.00 177.39 177.05 1t2r h ASP 27 N 0.00 0.00 0.51 -1.43 3.58 -1.91 0.56 116.42 117.73 1t2r h ASP 27 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t2r h ASP 27 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1t2r h ASP 27 CO 0.00 0.09 0.00 1.88 -2.88 0.00 0.00 179.24 178.33 1t2r h TYR 28 N 0.00 0.00 0.00 0.28 0.05 -1.99 -2.67 116.97 112.64 1t2r h TYR 28 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1t2r h TYR 28 Cb 0.23 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1t2r h TYR 28 CO 0.00 0.00 -1.37 0.43 -1.05 0.00 0.00 178.16 176.17 1t2r n SER 29 N -2.98 1.16 0.11 3.88 7.64 -0.15 -4.83 113.62 118.45 1t2r n SER 29 Ca -0.01 0.06 0.03 0.00 1.01 0.00 0.00 58.87 59.96 1t2r n SER 29 Cb 0.19 -0.17 0.43 0.00 -1.01 0.00 0.00 64.21 63.64 1t2r n SER 29 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1t2r h ARG 30 N -0.19 0.28 0.00 1.43 0.11 -0.01 0.83 114.38 116.83 1t2r h ARG 30 Ca -0.16 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1t2r h ARG 30 Cb 1.16 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.19 1t2r h ARG 30 CO -0.08 0.32 0.00 -0.09 0.10 0.00 0.00 179.97 180.22 1t2r h ARG 31 N 0.28 0.00 0.00 0.08 2.43 -1.67 -1.88 114.38 113.62 1t2r h ARG 31 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1t2r h ARG 31 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1t2r h ARG 31 CO 0.01 0.00 -1.31 1.19 -1.51 0.00 0.00 179.97 178.34 1t2r n PHE 32 N -2.82 0.00 1.27 2.20 3.72 0.07 -4.47 117.46 117.43 1t2r n PHE 32 Ca 0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 1t2r n PHE 32 Cb 0.25 -0.21 0.45 0.00 -0.94 0.00 0.00 39.48 39.02 1t2r n PHE 32 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1t2r n LEU 33 N -1.77 0.78 -0.29 4.37 4.77 0.04 -4.27 117.00 120.62 1t2r n LEU 33 Ca -0.01 -0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1t2r n LEU 33 Cb 0.31 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1t2r n LEU 33 CO 0.28 0.15 0.65 -0.33 -1.33 0.00 0.00 177.39 176.80 1t2r h GLU 34 N 0.87 -0.04 0.00 3.23 5.08 -1.68 0.33 114.58 122.37 1t2r h GLU 34 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t2r h GLU 34 Cb 0.46 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1t2r h GLU 34 CO 0.00 -0.03 -0.01 -1.00 -1.00 0.00 0.00 179.01 176.97 1t2r h PRO 35 N -0.04 0.00 0.16 2.33 0.13 -1.92 -0.24 132.00 132.42 1t2r h PRO 35 Ca 0.35 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.15 1t2r h PRO 35 Cb 0.60 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.73 1t2r h PRO 35 CO -0.85 0.01 -1.61 0.35 -0.23 0.00 0.00 178.00 175.68 1t2r h PHE 36 N 0.00 0.63 0.00 1.56 3.57 -0.81 -3.27 116.94 118.62 1t2r h PHE 36 Ca -0.00 -0.46 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1t2r h PHE 36 Cb 0.21 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1t2r h PHE 36 CO 0.00 1.52 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.44 1t2r h LEU 37 N 0.09 0.00 -8.25 0.59 -0.00 0.27 -3.40 115.31 104.61 1t2r h LEU 37 Ca -0.28 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.12 1t2r h LEU 37 Cb 2.07 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.66 1t2r h LEU 37 CO 0.18 0.09 1.15 -0.60 -0.00 0.00 0.00 178.44 179.27 1t2r s ARG 38 N -3.99 3.03 0.00 1.13 3.52 -0.19 -3.13 118.95 119.32 1t2r s ARG 38 Ca -0.02 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1t2r s ARG 38 Cb 0.12 -4.90 0.00 0.00 -1.56 0.00 0.00 34.95 28.61 1t2r s ARG 38 CO 0.56 -2.66 0.00 0.41 -0.81 0.00 0.00 175.30 172.80 1t2r n GLY 39 N 6.41 1.79 3.89 8.12 0.00 0.94 -4.95 105.19 121.39 1t2r n GLY 39 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 2.56 -0.05 -0.61 -4.36 -1.08 -4.93 121.20 110.73 1t2r s ILE 40 Ca 0.00 -1.33 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1t2r s ILE 40 Cb 0.00 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.82 1t2r s ILE 40 CO 0.00 0.00 -0.15 0.54 0.24 0.00 0.00 174.94 175.57 1t2r s ASN 41 N -4.17 2.00 -0.05 4.36 2.20 -1.26 0.00 114.94 118.02 1t2r s ASN 41 Ca 0.48 -0.33 0.06 0.00 -0.94 0.00 0.00 52.86 52.13 1t2r s ASN 41 Cb -0.03 -0.62 -0.01 0.00 -2.00 0.00 0.00 41.25 38.58 1t2r s ASN 41 CO 0.28 0.12 -0.24 0.68 -2.94 0.00 0.00 177.10 175.01 1t2r s VAL 42 N 0.17 1.93 -0.60 3.54 -7.23 0.33 -4.60 120.40 113.93 1t2r s VAL 42 Ca -0.06 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.86 1t2r s VAL 42 Cb -0.12 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.23 1t2r s VAL 42 CO 0.02 0.54 1.02 -0.69 -0.31 0.00 0.00 175.10 175.68 1t2r s VAL 43 N -0.15 4.25 -0.34 1.32 1.01 0.51 -0.39 120.40 126.62 1t2r s VAL 43 Ca -0.03 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1t2r s VAL 43 Cb -0.13 -4.64 -0.00 0.00 0.00 0.00 0.00 36.38 31.61 1t2r s VAL 43 CO 0.03 -1.30 0.65 -0.47 0.00 0.00 0.00 175.10 174.01 1t2r s TYR 44 N 4.31 3.17 -0.52 5.22 5.04 0.54 -0.68 117.35 134.44 1t2r s TYR 44 Ca 0.31 0.46 -0.21 0.00 -2.44 0.00 0.00 57.07 55.19 1t2r s TYR 44 Cb -0.12 -3.11 0.05 0.00 0.35 0.00 0.00 41.96 39.13 1t2r s TYR 44 CO 0.18 -0.58 0.72 0.95 -1.34 0.00 0.00 175.55 175.47 1t2r s THR 45 N 2.71 4.73 0.13 4.34 -4.23 -0.81 -1.78 115.64 120.73 1t2r s THR 45 Ca 0.25 -0.24 -0.31 0.00 -1.18 0.00 0.00 61.69 60.22 1t2r s THR 45 Cb -0.14 -4.36 -0.08 0.00 1.34 0.00 0.00 72.50 69.26 1t2r s THR 45 CO 0.14 -0.88 1.31 -2.84 -0.54 0.00 0.00 174.62 171.80 1t2r s PRO 46 N 3.02 4.38 0.27 3.99 0.02 -1.26 -4.89 135.00 140.52 1t2r s PRO 46 Ca 0.20 1.98 -0.28 0.00 0.02 0.00 0.00 61.00 62.91 1t2r s PRO 46 Cb -0.17 -3.26 -0.15 0.00 0.02 0.00 0.00 34.50 30.94 1t2r s PRO 46 CO 0.14 -0.32 0.92 -2.30 -0.33 0.00 0.00 177.00 175.11 1t2r n PRO 47 N 3.54 1.08 0.08 5.54 -0.02 -1.26 -4.64 135.00 139.32 1t2r n PRO 47 Ca 0.09 0.38 0.21 0.00 -2.02 0.00 0.00 63.50 62.16 1t2r n PRO 47 Cb 0.44 -1.69 0.71 0.00 -0.02 0.00 0.00 33.50 32.94 1t2r n PRO 47 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1t2r h GLN 48 N 1.87 0.00 0.00 -0.52 3.07 -1.92 0.35 115.11 117.96 1t2r h GLN 48 Ca -0.38 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.33 1t2r h GLN 48 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.91 1t2r h GLN 48 CO 0.60 0.00 -0.19 1.03 0.09 0.00 0.00 178.83 180.36 1t2r h SER 49 N 0.00 0.00 1.03 0.06 0.87 -1.87 -1.96 113.55 111.68 1t2r h SER 49 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1t2r h SER 49 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1t2r h SER 49 CO -0.00 0.19 -0.47 0.49 -0.53 0.00 0.00 176.83 176.51 1t2r n PHE 50 N -4.20 0.67 -2.53 2.24 3.72 0.12 -4.93 117.46 112.55 1t2r n PHE 50 Ca -0.02 0.19 -0.17 0.00 -0.05 0.00 0.00 57.45 57.41 1t2r n PHE 50 Cb 0.26 -0.74 -0.00 0.00 -0.94 0.00 0.00 39.48 38.05 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 -2.17 -2.32 -3.68 -1.08 6.02 -0.74 -4.95 117.38 108.46 1t2r n GLN 51 Ca 0.04 0.75 -0.20 0.00 -0.01 0.00 0.00 57.00 57.58 1t2r n GLN 51 Cb 0.44 -5.40 -0.01 0.00 1.02 0.00 0.00 30.24 26.28 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 -2.13 6.09 -0.09 1.08 0.01 -1.26 -5.11 113.70 112.29 1t2r s SER 52 Ca 0.05 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.16 1t2r s SER 52 Cb -0.02 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 1t2r s SER 52 CO 0.06 -0.28 0.14 0.00 0.41 0.00 0.00 173.24 173.57 1t2r s ALA 53 N -2.10 3.86 0.20 1.44 0.00 -1.26 -4.58 121.76 119.31 1t2r s ALA 53 Ca 0.40 -0.68 -0.33 0.00 0.00 0.00 0.00 51.96 51.36 1t2r s ALA 53 Cb -0.09 -1.92 -0.13 0.00 0.00 0.00 0.00 23.12 20.98 1t2r s ALA 53 CO 0.30 0.65 1.53 -2.30 0.00 0.00 0.00 175.76 175.94 1t2r n PRO 54 N 1.76 2.20 -4.37 0.00 -0.02 -1.26 -4.72 135.00 128.58 1t2r n PRO 54 Ca -0.18 0.79 -0.19 0.00 -2.02 0.00 0.00 63.50 61.90 1t2r n PRO 54 Cb 0.54 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.38 0.80 -0.02 -0.52 3.52 -0.73 -4.88 118.95 117.49 1t2r s ARG 55 Ca 0.74 -0.45 -0.26 0.00 -0.13 0.00 0.00 55.73 55.63 1t2r s ARG 55 Cb -0.64 -0.76 -0.04 0.00 -1.56 0.00 0.00 34.95 31.95 1t2r s ARG 55 CO 0.42 0.20 0.80 0.54 -0.81 0.00 0.00 175.30 176.45 1t2r s VAL 56 N -0.42 4.91 -0.04 7.11 0.11 -1.25 -0.34 120.40 130.49 1t2r s VAL 56 Ca 0.02 1.67 0.05 0.00 -2.93 0.00 0.00 61.98 60.80 1t2r s VAL 56 Cb -0.05 -4.14 -0.01 0.00 -1.53 0.00 0.00 36.38 30.65 1t2r s VAL 56 CO -0.00 0.25 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.53 1t2r s TYR 57 N 0.65 1.78 -0.51 1.54 2.02 0.48 -4.90 117.35 118.40 1t2r s TYR 57 Ca 0.42 -0.46 -0.28 0.00 -0.37 0.00 0.00 57.07 56.39 1t2r s TYR 57 Cb -0.19 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1t2r s TYR 57 CO 0.22 -0.13 1.10 0.50 -1.57 0.00 0.00 175.55 175.68 1t2r s ARG 58 N -0.14 3.59 0.02 -0.62 3.00 -1.26 -0.51 118.95 123.03 1t2r s ARG 58 Ca -0.00 0.32 -0.30 0.00 -1.00 0.00 0.00 55.73 54.75 1t2r s ARG 58 Cb -0.10 -3.96 -0.04 0.00 0.00 0.00 0.00 34.95 30.85 1t2r s ARG 58 CO 0.01 -1.46 1.00 0.08 0.00 0.00 0.00 175.30 174.93 1t2r s VAL 59 N 4.45 4.74 -0.66 7.11 1.01 0.10 -4.02 120.40 133.13 1t2r s VAL 59 Ca 0.43 2.00 0.22 0.00 0.00 0.00 0.00 61.98 64.64 1t2r s VAL 59 Cb -0.08 -4.28 -0.18 0.00 0.00 0.00 0.00 36.38 31.84 1t2r s VAL 59 CO 0.28 0.18 0.92 -3.20 0.00 0.00 0.00 175.10 173.28 1t2r n ASN 60 N 3.74 0.63 0.00 3.32 5.15 -0.72 -0.04 115.26 127.34 1t2r n ASN 60 Ca 0.06 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1t2r n ASN 60 Cb 0.50 1.02 0.00 0.00 -0.53 0.00 0.00 39.78 40.78 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 1.40 -0.49 3.60 8.20 0.00 -0.98 -3.86 105.19 113.06 1t2r n GLY 61 Ca 0.02 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 3.08 0.01 0.99 1.43 -1.26 -0.61 118.68 122.32 1t2r s LEU 62 Ca 0.00 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 1t2r s LEU 62 Cb 0.00 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 1t2r s LEU 62 CO 0.00 0.08 0.41 -0.55 0.23 0.00 0.00 176.35 176.53 1t2r s SER 63 N -3.01 6.80 0.00 2.29 0.15 0.68 -4.65 113.70 115.97 1t2r s SER 63 Ca 0.27 0.96 0.22 0.00 0.70 0.00 0.00 55.95 58.10 1t2r s SER 63 Cb -0.08 -2.25 1.15 0.00 -1.71 0.00 0.00 66.02 63.13 1t2r s SER 63 CO 0.17 0.31 1.71 0.54 1.20 0.00 0.00 173.24 177.17 1t2r n ARG 64 N 1.72 0.38 -5.14 5.44 5.12 -1.26 -4.02 116.66 118.89 1t2r n ARG 64 Ca -0.13 0.07 -0.30 0.00 -1.93 0.00 0.00 57.85 55.55 1t2r n ARG 64 Cb 0.52 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 30.16 1t2r n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t2r s ALA 65 N -2.47 1.98 0.71 7.54 0.00 -1.26 -5.04 121.76 123.21 1t2r s ALA 65 Ca 0.23 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 1t2r s ALA 65 Cb 0.15 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1t2r s ALA 65 CO 0.32 0.38 1.14 -2.14 0.00 0.00 0.00 175.76 175.46 1t2r s PRO 66 N -0.10 2.44 0.48 0.00 0.02 -1.26 -3.15 135.00 133.43 1t2r s PRO 66 Ca -0.04 1.50 0.32 0.00 0.02 0.00 0.00 61.00 62.80 1t2r s PRO 66 Cb -0.13 -1.90 1.47 0.00 0.02 0.00 0.00 34.50 33.96 1t2r s PRO 66 CO 0.03 -1.55 1.96 0.00 -0.33 0.00 0.00 177.00 177.11 1t2r h ALA 67 N -0.29 1.00 -0.00 -1.55 0.00 -1.58 0.67 119.26 117.51 1t2r h ALA 67 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t2r h ALA 67 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1t2r h ALA 67 CO 0.52 0.00 -0.32 0.45 0.00 0.00 0.00 179.25 179.90 1t2r n SER 68 N -2.79 0.68 -0.08 0.00 2.88 -1.19 -0.79 113.62 112.32 1t2r n SER 68 Ca 0.00 -0.51 -0.11 0.00 -1.33 0.00 0.00 58.87 56.91 1t2r n SER 68 Cb 0.21 0.12 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 1t2r n SER 68 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1t2r n SER 69 N -1.08 2.60 -4.88 -3.46 2.88 0.16 -4.93 113.62 104.91 1t2r n SER 69 Ca 0.09 -0.09 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 1t2r n SER 69 Cb 0.33 -0.19 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 1t2r n SER 69 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1t2r s GLU 70 N -2.34 3.75 0.25 -1.46 2.12 -0.76 -5.00 118.70 115.25 1t2r s GLU 70 Ca -0.22 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.37 1t2r s GLU 70 Cb 0.06 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.68 1t2r s GLU 70 CO 0.41 0.37 -0.13 0.95 -0.54 0.00 0.00 175.26 176.31 1t2r s THR 71 N -1.76 1.90 0.04 -1.70 -4.23 -1.26 -2.69 115.64 105.93 1t2r s THR 71 Ca 0.45 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1t2r s THR 71 Cb -0.12 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1t2r s THR 71 CO 0.22 -0.45 -0.03 0.72 -0.54 0.00 0.00 174.62 174.54 1t2r s PHE 72 N -2.86 0.40 -0.49 3.99 -0.12 0.71 -4.94 117.98 114.67 1t2r s PHE 72 Ca 0.26 -0.82 -0.20 0.00 -0.05 0.00 0.00 56.93 56.12 1t2r s PHE 72 Cb -0.00 -0.30 0.04 0.00 -0.63 0.00 0.00 43.02 42.13 1t2r s PHE 72 CO 0.10 -0.30 0.66 -2.00 -0.05 0.00 0.00 175.22 173.63 1t2r s GLU 73 N -2.81 3.19 -0.19 1.99 2.12 -1.26 -0.72 118.70 121.02 1t2r s GLU 73 Ca -0.03 -0.65 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 1t2r s GLU 73 Cb -0.00 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 30.33 1t2r s GLU 73 CO -0.06 -1.17 -0.05 -1.58 -0.54 0.00 0.00 175.26 171.86 1t2r s HIS 74 N 2.82 2.96 -1.66 5.30 5.65 0.14 -4.51 115.29 125.98 1t2r s HIS 74 Ca 0.19 -0.69 0.00 0.00 0.25 0.00 0.00 55.06 54.81 1t2r s HIS 74 Cb -0.17 -2.03 0.00 0.00 -1.18 0.00 0.00 32.58 29.20 1t2r s HIS 74 CO 0.15 -0.35 0.00 -3.47 -0.65 0.00 0.00 174.74 170.42 1t2r n ASP 75 N 4.27 -4.92 0.00 9.88 2.03 -1.26 -0.14 116.55 126.41 1t2r n ASP 75 Ca -0.18 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1t2r n ASP 75 Cb 0.52 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.04 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 -1.00 0.90 3.69 0.27 0.00 -1.26 -5.02 105.19 102.77 1t2r n GLY 76 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.11 3.61 -0.85 1.61 -0.14 0.80 -5.04 119.74 119.61 1t2r s LYS 77 Ca 0.00 -0.32 -0.25 0.00 -1.36 0.00 0.00 55.97 54.03 1t2r s LYS 77 Cb 0.00 -3.09 0.03 0.00 -1.68 0.00 0.00 37.83 33.09 1t2r s LYS 77 CO 0.00 0.49 1.38 0.15 -0.76 0.00 0.00 175.35 176.61 1t2r s LYS 78 N -0.24 3.31 -0.05 1.68 1.02 -1.26 0.26 119.74 124.46 1t2r s LYS 78 Ca 0.08 -0.55 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 1t2r s LYS 78 Cb -0.12 -4.67 -0.04 0.00 -0.52 0.00 0.00 37.83 32.48 1t2r s LYS 78 CO 0.01 -2.23 0.11 0.08 -0.92 0.00 0.00 175.35 172.41 1t2r s VAL 79 N 5.68 5.08 0.45 3.17 1.01 0.11 -4.88 120.40 131.02 1t2r s VAL 79 Ca 0.41 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1t2r s VAL 79 Cb -0.05 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1t2r s VAL 79 CO 0.05 0.45 0.85 0.42 0.00 0.00 0.00 175.10 176.87 1t2r s THR 80 N -1.15 4.70 0.21 3.92 -4.23 -1.26 -0.21 115.64 117.62 1t2r s THR 80 Ca 0.21 0.82 -0.09 0.00 -1.18 0.00 0.00 61.69 61.45 1t2r s THR 80 Cb -0.12 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.14 1t2r s THR 80 CO 0.11 -0.61 1.83 0.40 -0.54 0.00 0.00 174.62 175.82 1t2r h ILE 81 N 0.97 1.03 -0.25 2.99 2.04 -1.27 -0.72 117.51 122.31 1t2r h ILE 81 Ca -0.47 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1t2r h ILE 81 Cb 1.19 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1t2r h ILE 81 CO 0.63 0.15 0.12 0.00 0.00 0.00 0.00 178.15 179.05 1t2r h ALA 82 N 1.33 0.33 0.00 1.87 0.00 -1.27 -2.56 119.26 118.97 1t2r h ALA 82 Ca 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1t2r h ALA 82 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t2r h ALA 82 CO -0.15 -0.11 -0.24 0.77 0.00 0.00 0.00 179.25 179.52 1t2r h SER 83 N 0.28 0.00 -0.07 0.00 0.02 -1.74 0.20 113.55 112.24 1t2r h SER 83 Ca 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1t2r h SER 83 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1t2r h SER 83 CO -0.01 0.24 0.02 0.22 -1.14 0.00 0.00 176.83 176.16 1t2r h TYR 84 N 0.00 0.12 -0.39 3.45 3.20 -0.74 0.23 116.97 122.84 1t2r h TYR 84 Ca -0.00 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 1t2r h TYR 84 Cb 0.52 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1t2r h TYR 84 CO 0.00 0.30 -0.21 0.74 -1.64 0.00 0.00 178.16 177.35 1t2r h PHE 85 N -0.09 0.85 -0.92 -3.82 0.04 -1.20 -2.31 116.94 109.48 1t2r h PHE 85 Ca 0.02 -0.19 0.12 0.00 2.80 0.00 0.00 57.97 60.73 1t2r h PHE 85 Cb 0.24 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.11 1t2r h PHE 85 CO 0.00 0.89 0.59 1.25 -0.60 0.00 0.00 178.31 180.45 1t2r h HIS 86 N 0.66 0.95 0.00 -0.55 2.76 -0.70 0.11 115.15 118.38 1t2r h HIS 86 Ca 0.10 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1t2r h HIS 86 Cb 0.71 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 1t2r h HIS 86 CO 0.04 0.39 -0.14 0.77 -1.30 0.00 0.00 177.93 177.68 1t2r h SER 87 N 0.84 0.00 -0.14 3.26 0.02 -0.38 -2.31 113.55 114.84 1t2r h SER 87 Ca 0.45 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.36 1t2r h SER 87 Cb 0.56 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1t2r h SER 87 CO -0.21 0.14 0.06 0.54 -1.14 0.00 0.00 176.83 176.21 1t2r n ARG 88 N -3.53 1.48 -2.40 3.45 5.12 0.36 -4.77 116.66 116.37 1t2r n ARG 88 Ca -0.01 -0.56 -0.20 0.00 -1.93 0.00 0.00 57.85 55.15 1t2r n ARG 88 Cb 0.28 -1.44 -0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1t2r n ARG 88 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1t2r n ASN 89 N 0.16 -5.82 -3.67 0.55 3.02 -0.88 -4.77 115.26 103.86 1t2r n ASN 89 Ca 0.08 -0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.34 1t2r n ASN 89 Cb 0.56 -4.85 -0.11 0.00 -0.61 0.00 0.00 39.78 34.77 1t2r n ASN 89 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1t2r s TYR 90 N -3.02 2.31 -0.29 3.10 6.14 -0.95 -5.03 117.35 119.61 1t2r s TYR 90 Ca 0.00 -2.78 -0.29 0.00 0.64 0.00 0.00 57.07 54.64 1t2r s TYR 90 Cb 0.00 -1.86 -0.01 0.00 0.42 0.00 0.00 41.96 40.51 1t2r s TYR 90 CO 0.00 -0.70 1.52 -1.25 0.64 0.00 0.00 175.55 175.76 1t2r s PRO 91 N -0.53 3.72 0.31 4.97 0.04 -1.26 -2.61 135.00 139.63 1t2r s PRO 91 Ca 0.27 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 1t2r s PRO 91 Cb -0.05 -4.02 -0.12 0.00 0.04 0.00 0.00 34.50 30.36 1t2r s PRO 91 CO -0.15 -1.38 1.51 1.28 0.04 0.00 0.00 177.00 178.30 1t2r n LEU 92 N 8.56 4.15 0.09 -3.56 4.77 -1.26 -4.90 117.00 124.85 1t2r n LEU 92 Ca 0.18 1.17 -0.09 0.00 -0.03 0.00 0.00 56.01 57.24 1t2r n LEU 92 Cb 0.46 -1.56 -0.02 0.00 -2.33 0.00 0.00 43.42 39.97 1t2r n LEU 92 CO 0.66 -0.02 0.23 0.11 -1.33 0.00 0.00 177.39 177.04 1t2r h LYS 93 N 4.08 0.18 -2.15 3.23 1.57 -2.00 -3.37 116.57 118.11 1t2r h LYS 93 Ca -0.47 -0.21 -0.58 0.00 -1.87 0.00 0.00 60.65 57.52 1t2r h LYS 93 Cb 1.24 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.21 1t2r h LYS 93 CO 0.74 0.96 -0.86 1.19 -0.57 0.00 0.00 179.45 180.91 1t2r n PHE 94 N -3.63 1.48 0.31 -1.35 3.72 -1.26 -4.14 117.46 112.60 1t2r n PHE 94 Ca -0.03 -3.84 0.05 0.00 -0.05 0.00 0.00 57.45 53.58 1t2r n PHE 94 Cb 0.82 -0.42 0.24 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.27 0.02 -0.46 -1.08 -0.02 -1.26 -2.11 135.00 131.36 1t2r n PRO 95 Ca 0.25 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 1t2r n PRO 95 Cb 0.47 -1.55 0.23 0.00 -0.02 0.00 0.00 33.50 32.63 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 -1.60 3.00 -3.02 -0.52 -0.06 -1.26 -3.16 117.38 110.76 1t2r n GLN 96 Ca 0.02 -1.83 -0.39 0.00 -2.00 0.00 0.00 57.00 52.80 1t2r n GLN 96 Cb 0.11 -1.79 -0.06 0.00 -4.06 0.00 0.00 30.24 24.44 1t2r n GLN 96 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 1t2r s LEU 97 N -1.48 4.58 -0.01 1.69 0.05 -0.90 -4.62 118.68 117.98 1t2r s LEU 97 Ca 0.32 1.58 -0.30 0.00 0.05 0.00 0.00 54.13 55.79 1t2r s LEU 97 Cb 0.23 -3.24 -0.05 0.00 -2.05 0.00 0.00 46.19 41.07 1t2r s LEU 97 CO 0.13 0.20 1.41 -1.00 -0.55 0.00 0.00 176.35 176.53 1t2r s HIS 98 N -1.05 2.81 0.74 3.48 3.76 -1.26 -2.22 115.29 121.55 1t2r s HIS 98 Ca 0.35 0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 55.91 1t2r s HIS 98 Cb -0.22 -3.67 0.04 0.00 1.11 0.00 0.00 32.58 29.83 1t2r s HIS 98 CO 0.25 -2.48 1.16 0.00 -0.85 0.00 0.00 174.74 172.83 1t2r s LEU 100 N -4.59 4.22 -0.68 0.00 2.96 0.91 -0.23 118.68 121.27 1t2r s LEU 100 Ca 0.76 0.23 -0.25 0.00 -0.22 0.00 0.00 54.13 54.65 1t2r s LEU 100 Cb -0.33 -2.81 0.05 0.00 0.50 0.00 0.00 46.19 43.60 1t2r s LEU 100 CO 0.48 -0.58 1.10 0.21 -1.32 0.00 0.00 176.35 176.24 1t2r s ASN 101 N 1.76 6.19 0.00 3.68 2.47 0.22 -0.05 114.94 129.21 1t2r s ASN 101 Ca 0.25 -0.68 0.00 0.00 0.42 0.00 0.00 52.86 52.85 1t2r s ASN 101 Cb -0.14 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 1t2r s ASN 101 CO 0.14 -1.59 0.00 1.33 -3.72 0.00 0.00 177.10 173.27 1t2r n VAL 102 N 6.16 0.00 -2.98 -5.21 0.24 0.85 -1.76 118.33 115.63 1t2r n VAL 102 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1t2r n VAL 102 Cb 0.47 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 1t2r n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t2r n GLY 103 N 5.00 -1.73 4.00 7.63 0.00 -1.26 -2.54 105.19 116.29 1t2r n GLY 103 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.27 1t2r n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t2r s SER 104 N -4.00 4.31 0.31 1.61 0.01 -0.81 -4.74 113.70 110.38 1t2r s SER 104 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1t2r s SER 104 Cb 0.00 0.20 0.51 0.00 0.21 0.00 0.00 66.02 66.94 1t2r s SER 104 CO 0.00 -1.90 1.91 0.28 0.41 0.00 0.00 173.24 173.94 1t2r h SER 105 N -0.51 0.75 0.17 2.44 0.02 -1.99 -3.02 113.55 111.42 1t2r h SER 105 Ca -0.34 -0.08 -0.26 0.00 -0.84 0.00 0.00 61.79 60.27 1t2r h SER 105 Cb 1.26 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 63.63 1t2r h SER 105 CO 0.38 0.65 -1.19 0.16 -1.14 0.00 0.00 176.83 175.69 1t2r h ILE 106 N 0.83 1.31 -2.24 3.27 -2.65 -1.98 -3.39 117.51 112.66 1t2r h ILE 106 Ca 0.21 -2.55 -0.71 0.00 1.03 0.00 0.00 64.86 62.84 1t2r h ILE 106 Cb 0.10 3.03 -0.17 0.00 -2.05 0.00 0.00 36.82 37.73 1t2r h ILE 106 CO -0.03 0.75 1.11 -0.75 0.03 0.00 0.00 178.15 179.27 1t2r s LYS 107 N -2.49 3.83 -0.70 0.16 2.20 -1.14 -4.96 119.74 116.64 1t2r s LYS 107 Ca -0.14 -2.13 -0.22 0.00 -0.36 0.00 0.00 55.97 53.12 1t2r s LYS 107 Cb 0.03 -5.01 0.08 0.00 -1.51 0.00 0.00 37.83 31.42 1t2r s LYS 107 CO 0.85 -1.79 1.00 -1.12 -0.36 0.00 0.00 175.35 173.93 1t2r s SER 108 N 3.31 6.24 0.04 1.43 0.01 -1.24 -1.93 113.70 121.54 1t2r s SER 108 Ca 0.38 -1.13 0.08 0.00 1.31 0.00 0.00 55.95 56.59 1t2r s SER 108 Cb -0.04 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1t2r s SER 108 CO -0.05 -1.40 -0.21 0.27 0.41 0.00 0.00 173.24 172.26 1t2r s ILE 109 N 3.94 2.59 -0.29 1.44 -4.36 -1.05 -4.97 121.20 118.49 1t2r s ILE 109 Ca 0.24 -1.22 -0.08 0.00 -0.26 0.00 0.00 60.65 59.33 1t2r s ILE 109 Cb -0.15 -2.06 -0.01 0.00 1.25 0.00 0.00 42.46 41.50 1t2r s ILE 109 CO 0.07 0.37 0.11 -0.76 0.24 0.00 0.00 174.94 174.97 1t2r s LEU 110 N -1.31 3.86 -0.01 0.37 1.02 -1.25 -0.10 118.68 121.26 1t2r s LEU 110 Ca 0.13 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.78 1t2r s LEU 110 Cb -0.10 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 1t2r s LEU 110 CO 0.04 -0.16 -0.05 -0.76 0.02 0.00 0.00 176.35 175.44 1t2r s LEU 111 N 1.57 3.26 -0.27 1.79 1.43 0.92 -4.75 118.68 122.63 1t2r s LEU 111 Ca 0.04 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 1t2r s LEU 111 Cb -0.17 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1t2r s LEU 111 CO 0.04 0.29 2.02 -2.84 0.23 0.00 0.00 176.35 176.09 1t2r s PRO 112 N -1.39 3.23 0.64 1.29 0.02 -1.26 -0.06 135.00 137.47 1t2r s PRO 112 Ca 0.17 1.75 0.35 0.00 0.02 0.00 0.00 61.00 63.29 1t2r s PRO 112 Cb -0.11 -4.29 1.92 0.00 0.02 0.00 0.00 34.50 32.04 1t2r s PRO 112 CO 0.07 -1.98 2.14 0.97 -0.33 0.00 0.00 177.00 177.88 1t2r h ILE 113 N 6.98 0.17 -0.84 2.83 2.10 -1.94 0.45 117.51 127.25 1t2r h ILE 113 Ca -0.38 0.00 0.13 0.00 1.08 0.00 0.00 64.86 65.69 1t2r h ILE 113 Cb 1.21 0.84 -0.06 0.00 -1.09 0.00 0.00 36.82 37.72 1t2r h ILE 113 CO 0.99 0.00 0.55 -0.08 -1.08 0.00 0.00 178.15 178.53 1t2r h GLU 114 N 0.00 0.65 -0.65 2.19 4.81 -1.94 -1.95 114.58 117.69 1t2r h GLU 114 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1t2r h GLU 114 Cb 0.37 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1t2r h GLU 114 CO -0.00 0.43 0.00 1.28 -0.73 0.00 0.00 179.01 179.99 1t2r n LEU 115 N -4.53 4.59 -4.51 1.64 4.77 0.15 -4.78 117.00 114.33 1t2r n LEU 115 Ca 0.16 -2.32 -0.35 0.00 -0.03 0.00 0.00 56.01 53.47 1t2r n LEU 115 Cb 0.43 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.83 1t2r n LEU 115 CO 0.31 0.73 -0.30 0.00 -1.33 0.00 0.00 177.39 176.80 1t2r s SER 117 N 0.91 5.39 -0.39 0.00 0.01 0.15 -0.76 113.70 119.00 1t2r s SER 117 Ca 0.02 -0.85 -0.19 0.00 1.31 0.00 0.00 55.95 56.24 1t2r s SER 117 Cb -0.14 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1t2r s SER 117 CO 0.02 -0.27 0.57 -0.51 0.41 0.00 0.00 173.24 173.46 1t2r s ILE 118 N 1.51 4.93 -0.20 1.44 2.07 0.12 -0.36 121.20 130.72 1t2r s ILE 118 Ca 0.02 0.21 -0.24 0.00 -1.41 0.00 0.00 60.65 59.23 1t2r s ILE 118 Cb -0.18 -4.08 -0.01 0.00 0.13 0.00 0.00 42.46 38.31 1t2r s ILE 118 CO 0.04 -0.40 0.78 -1.61 -1.91 0.00 0.00 174.94 171.84 1t2r s GLU 119 N 2.57 4.24 0.17 3.50 2.02 -1.26 -0.42 118.70 129.52 1t2r s GLU 119 Ca 0.20 0.89 0.25 0.00 0.02 0.00 0.00 54.97 56.33 1t2r s GLU 119 Cb -0.15 -3.59 0.45 0.00 0.10 0.00 0.00 34.13 30.94 1t2r s GLU 119 CO 0.16 -0.35 1.45 1.05 0.02 0.00 0.00 175.26 177.58 1t2r h GLU 120 N 7.46 0.00 -1.89 1.61 4.11 -1.45 -3.40 114.58 121.03 1t2r h GLU 120 Ca -0.28 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.61 1t2r h GLU 120 Cb 1.12 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.00 1t2r h GLU 120 CO 0.83 0.00 -1.07 0.41 0.07 0.00 0.00 179.01 179.25 1t2r n GLY 121 N 1.31 2.68 0.15 1.06 0.00 -1.22 -4.92 105.19 104.24 1t2r n GLY 121 Ca 0.04 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 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 4.02 0.25 0.00 1.61 4.20 -1.78 -3.40 115.11 120.01 1t2r h GLN 122 Ca 0.06 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1t2r h GLN 122 Cb 0.89 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1t2r h GLN 122 CO 0.45 0.89 0.00 0.00 -0.67 0.00 0.00 178.83 179.50