#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 0.17 -0.18 4.61 0.00 -1.26 -5.03 121.76 120.07 1t2r s ALA 2 Ca 0.00 -0.89 0.16 0.00 0.00 0.00 0.00 51.96 51.23 1t2r s ALA 2 Cb 0.00 0.33 0.42 0.00 0.00 0.00 0.00 23.12 23.87 1t2r s ALA 2 CO 0.00 -0.40 1.30 -1.33 0.00 0.00 0.00 175.76 175.33 1t2r n MET 3 N 0.21 2.01 -2.51 0.00 2.81 -1.26 -5.03 117.12 113.35 1t2r n MET 3 Ca -0.15 -2.82 -0.43 0.00 -1.81 0.00 0.00 57.70 52.48 1t2r n MET 3 Cb 0.61 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 1t2r n MET 3 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1t2r s ALA 4 N -2.94 3.58 -0.22 3.04 0.00 -1.26 -1.35 121.76 122.61 1t2r s ALA 4 Ca 0.38 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 1t2r s ALA 4 Cb 0.33 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1t2r s ALA 4 CO 0.04 -0.95 0.03 -1.64 0.00 0.00 0.00 175.76 173.24 1t2r s MET 5 N 2.86 3.64 -0.07 0.00 1.00 0.19 -4.90 119.30 122.03 1t2r s MET 5 Ca 0.52 -0.50 -0.35 0.00 0.00 0.00 0.00 55.69 55.36 1t2r s MET 5 Cb -0.21 -3.18 -0.13 0.00 0.00 0.00 0.00 34.83 31.31 1t2r s MET 5 CO 0.16 -0.06 1.78 -2.30 0.00 0.00 0.00 175.02 174.60 1t2r n PRO 6 N 4.49 1.96 0.27 2.03 -0.02 -1.26 0.27 135.00 142.74 1t2r n PRO 6 Ca -0.17 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1t2r n PRO 6 Cb 0.52 -2.51 0.80 0.00 -0.02 0.00 0.00 33.50 32.28 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 8.10 0.00 -0.20 -0.52 2.86 -1.41 0.18 114.93 123.94 1t2r h MET 7 Ca -0.48 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 1t2r h MET 7 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1t2r h MET 7 CO 0.93 0.00 -0.02 0.82 1.06 0.00 0.00 176.91 179.70 1t2r h ILE 8 N 0.00 1.27 -0.77 -1.22 1.08 -1.83 -2.07 117.51 113.97 1t2r h ILE 8 Ca 0.01 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 1t2r h ILE 8 Cb 0.05 1.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1t2r h ILE 8 CO -0.00 0.29 0.43 -0.08 -0.69 0.00 0.00 178.15 178.11 1t2r h GLU 9 N 0.12 1.06 -0.23 2.37 4.81 -1.12 0.10 114.58 121.69 1t2r h GLU 9 Ca 0.05 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1t2r h GLU 9 Cb 0.45 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1t2r h GLU 9 CO 0.02 0.77 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.10 1t2r h TYR 10 N 1.07 -0.10 -0.16 0.92 3.20 -0.82 -2.25 116.97 118.83 1t2r h TYR 10 Ca 0.27 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 1t2r h TYR 10 Cb 0.00 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1t2r h TYR 10 CO 0.01 -0.08 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.98 1t2r h LEU 11 N 0.01 0.37 0.28 2.82 4.07 -0.69 -1.80 115.31 120.37 1t2r h LEU 11 Ca 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1t2r h LEU 11 Cb 0.16 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1t2r h LEU 11 CO -0.22 0.72 -0.27 -0.33 -1.08 0.00 0.00 178.44 177.26 1t2r h GLU 12 N 0.30 -0.56 0.13 1.13 5.08 -0.30 0.52 114.58 120.88 1t2r h GLU 12 Ca 0.03 0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1t2r h GLU 12 Cb 0.82 0.13 0.02 0.00 0.50 0.00 0.00 28.75 30.21 1t2r h GLU 12 CO 0.07 -0.37 -0.76 0.07 -1.00 0.00 0.00 179.01 177.01 1t2r h ARG 13 N -0.58 0.26 0.03 2.33 0.11 -1.41 0.16 114.38 115.28 1t2r h ARG 13 Ca -0.01 -0.45 -0.28 0.00 0.10 0.00 0.00 59.98 59.34 1t2r h ARG 13 Cb 0.53 0.17 -0.03 0.00 1.11 0.00 0.00 29.97 31.75 1t2r h ARG 13 CO -0.05 1.22 -1.53 1.19 0.10 0.00 0.00 179.97 180.90 1t2r n PHE 14 N -4.17 0.98 -0.08 4.08 3.72 -0.68 -3.80 117.46 117.51 1t2r n PHE 14 Ca -0.14 0.37 -0.15 0.00 -0.05 0.00 0.00 57.45 57.48 1t2r n PHE 14 Cb 0.79 -1.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.12 1t2r n PHE 14 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1t2r h SER 15 N -0.77 0.00 0.72 4.37 0.02 -1.43 -3.38 113.55 113.09 1t2r h SER 15 Ca -0.40 -0.68 -0.19 0.00 -0.84 0.00 0.00 61.79 59.69 1t2r h SER 15 Cb 1.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 1t2r h SER 15 CO -0.17 1.12 -1.40 -0.07 -1.14 0.00 0.00 176.83 175.17 1t2r h LEU 16 N -1.00 0.00 1.20 5.07 -0.00 -0.10 -3.48 115.31 117.00 1t2r h LEU 16 Ca -0.13 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.39 1t2r h LEU 16 Cb 1.00 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.54 1t2r h LEU 16 CO -0.08 0.66 -0.36 0.29 -0.00 0.00 0.00 178.44 178.96 1t2r n LYS 17 N -2.95 -1.28 -3.55 1.13 4.76 -0.37 -4.95 118.16 110.95 1t2r n LYS 17 Ca -0.10 1.07 -0.16 0.00 -2.87 0.00 0.00 58.31 56.26 1t2r n LYS 17 Cb 0.88 -5.38 -0.06 0.00 -1.84 0.00 0.00 35.03 28.63 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 -2.71 -1.50 0.09 7.82 0.00 0.40 -4.95 121.76 120.92 1t2r s ALA 18 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.55 1t2r s ALA 18 Cb 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.27 1t2r s ALA 18 CO 0.00 -0.44 1.31 0.21 0.00 0.00 0.00 175.76 176.84 1t2r s LYS 19 N -1.87 4.37 0.01 0.00 2.20 -1.26 -4.34 119.74 118.84 1t2r s LYS 19 Ca -0.08 1.95 -0.30 0.00 -0.36 0.00 0.00 55.97 57.18 1t2r s LYS 19 Cb -0.01 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.96 1t2r s LYS 19 CO 0.03 -0.36 1.62 0.42 -0.36 0.00 0.00 175.35 176.71 1t2r s ILE 20 N 1.07 3.35 0.37 5.43 -1.09 -1.26 -5.00 121.20 124.07 1t2r s ILE 20 Ca 0.62 0.65 0.06 0.00 -2.23 0.00 0.00 60.65 59.75 1t2r s ILE 20 Cb -0.34 -3.42 -0.07 0.00 -1.58 0.00 0.00 42.46 37.05 1t2r s ILE 20 CO 0.30 -0.03 0.01 0.20 -1.23 0.00 0.00 174.94 174.20 1t2r s ASN 21 N 2.76 3.38 0.00 3.58 0.01 -1.26 -5.02 114.94 118.39 1t2r s ASN 21 Ca 0.73 -1.35 0.11 0.00 -0.71 0.00 0.00 52.86 51.64 1t2r s ASN 21 Cb -0.36 -0.30 0.58 0.00 0.41 0.00 0.00 41.25 41.58 1t2r s ASN 21 CO 0.31 -0.47 1.25 0.59 -1.51 0.00 0.00 177.10 177.27 1t2r n ASN 22 N -0.86 0.00 -0.50 -1.22 3.02 -1.26 -1.19 115.26 113.24 1t2r n ASN 22 Ca -0.04 0.09 0.06 0.00 -0.03 0.00 0.00 54.58 54.66 1t2r n ASN 22 Cb 0.66 -0.26 0.05 0.00 -0.61 0.00 0.00 39.78 39.62 1t2r n ASN 22 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1t2r n THR 23 N -1.26 0.00 -2.81 3.41 -1.04 -1.26 -4.96 114.28 106.36 1t2r n THR 23 Ca 0.06 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.15 1t2r n THR 23 Cb 0.09 1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 69.82 1t2r n THR 23 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1t2r s THR 24 N -1.07 4.76 -0.41 12.58 -4.23 -0.34 -5.00 115.64 121.94 1t2r s THR 24 Ca 0.15 1.68 -0.25 0.00 -1.18 0.00 0.00 61.69 62.09 1t2r s THR 24 Cb 0.11 -4.20 0.02 0.00 1.34 0.00 0.00 72.50 69.77 1t2r s THR 24 CO 0.16 -0.15 0.87 0.20 -0.54 0.00 0.00 174.62 175.17 1t2r s ASN 25 N 1.35 6.55 0.62 3.99 -0.87 -1.26 -4.90 114.94 120.43 1t2r s ASN 25 Ca 0.38 0.29 0.38 0.00 -1.57 0.00 0.00 52.86 52.34 1t2r s ASN 25 Cb -0.15 -2.43 2.10 0.00 -0.02 0.00 0.00 41.25 40.75 1t2r s ASN 25 CO 0.08 -0.90 2.29 -0.07 -2.57 0.00 0.00 177.10 175.93 1t2r h LEU 26 N 10.16 0.00 -1.65 0.60 4.07 -1.95 -2.20 115.31 124.34 1t2r h LEU 26 Ca -0.24 0.00 0.23 0.00 0.08 0.00 0.00 57.88 57.95 1t2r h LEU 26 Cb 1.08 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 1t2r h LEU 26 CO 0.98 0.01 0.62 -0.78 -1.08 0.00 0.00 178.44 178.19 1t2r h ASP 27 N 0.00 0.28 0.49 -0.43 3.58 -1.91 0.94 116.42 119.36 1t2r h ASP 27 Ca -0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1t2r h ASP 27 Cb 0.07 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1t2r h ASP 27 CO 0.00 0.10 -0.13 1.88 -2.88 0.00 0.00 179.24 178.21 1t2r h TYR 28 N 0.28 0.00 0.00 0.28 -1.99 -1.81 -2.92 116.97 110.81 1t2r h TYR 28 Ca 0.47 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.10 1t2r h TYR 28 Cb 1.38 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.10 1t2r h TYR 28 CO -0.00 0.13 -1.35 0.43 -0.00 0.00 0.00 178.16 177.37 1t2r n SER 29 N -3.54 2.03 0.02 3.88 7.64 -0.14 -4.79 113.62 118.72 1t2r n SER 29 Ca -0.01 0.02 0.10 0.00 1.01 0.00 0.00 58.87 59.99 1t2r n SER 29 Cb 0.27 -0.14 0.53 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.11 0.30 0.00 1.43 9.65 0.74 0.65 114.38 127.04 1t2r h ARG 30 Ca -0.15 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1t2r h ARG 30 Cb 1.17 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1t2r h ARG 30 CO -0.06 0.20 0.00 -0.09 2.80 0.00 0.00 179.97 182.82 1t2r h ARG 31 N 0.31 0.00 0.00 0.20 2.43 -1.67 -1.69 114.38 113.96 1t2r h ARG 31 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1t2r h ARG 31 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1t2r h ARG 31 CO -0.04 0.00 -0.72 1.19 -1.51 0.00 0.00 179.97 178.89 1t2r n PHE 32 N -2.45 0.00 1.30 2.20 3.72 0.17 -4.43 117.46 117.97 1t2r n PHE 32 Ca 0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.55 1t2r n PHE 32 Cb 0.25 -0.01 0.54 0.00 -0.94 0.00 0.00 39.48 39.31 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 -1.36 0.51 -0.17 4.37 4.77 -0.64 -4.21 117.00 120.27 1t2r n LEU 33 Ca 0.02 0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 1t2r n LEU 33 Cb 0.23 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1t2r n LEU 33 CO 0.29 0.10 0.67 -0.33 -1.33 0.00 0.00 177.39 176.79 1t2r h GLU 34 N 0.55 -0.13 -0.05 3.23 5.08 -1.76 0.10 114.58 121.60 1t2r h GLU 34 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1t2r h GLU 34 Cb 0.41 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1t2r h GLU 34 CO 0.00 -0.09 0.05 -1.00 -1.00 0.00 0.00 179.01 176.98 1t2r h PRO 35 N -0.14 0.00 0.19 2.33 0.13 -1.94 0.03 132.00 132.61 1t2r h PRO 35 Ca 0.23 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.03 1t2r h PRO 35 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 1t2r h PRO 35 CO -0.61 0.00 -1.60 0.35 -0.23 0.00 0.00 178.00 175.91 1t2r h PHE 36 N 0.00 0.72 0.00 1.56 3.57 -1.37 -3.31 116.94 118.11 1t2r h PHE 36 Ca 0.02 -0.53 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 1t2r h PHE 36 Cb 0.13 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1t2r h PHE 36 CO 0.00 1.62 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.54 1t2r h LEU 37 N 0.02 0.00 -8.36 0.59 -0.00 0.07 -3.41 115.31 104.22 1t2r h LEU 37 Ca -0.31 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.26 1t2r h LEU 37 Cb 2.04 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.67 1t2r h LEU 37 CO 0.18 0.09 0.86 -0.60 -0.00 0.00 0.00 178.44 178.97 1t2r s ARG 38 N -4.09 2.33 0.00 1.13 3.52 -0.09 -2.82 118.95 118.93 1t2r s ARG 38 Ca -0.02 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1t2r s ARG 38 Cb 0.12 -4.78 0.00 0.00 -1.56 0.00 0.00 34.95 28.74 1t2r s ARG 38 CO 0.56 -3.41 0.00 0.41 -0.81 0.00 0.00 175.30 172.05 1t2r n GLY 39 N 6.44 1.93 3.94 8.12 0.00 0.15 -4.96 105.19 120.81 1t2r n GLY 39 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 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 5.22 -0.14 -0.61 -4.36 -1.01 -4.88 121.20 113.42 1t2r s ILE 40 Ca 0.00 -0.61 -0.03 0.00 -0.26 0.00 0.00 60.65 59.75 1t2r s ILE 40 Cb 0.00 -3.80 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 1t2r s ILE 40 CO 0.00 -0.28 -0.05 0.54 0.24 0.00 0.00 174.94 175.39 1t2r s ASN 41 N -3.58 4.72 0.01 4.36 2.20 -1.26 -0.37 114.94 121.01 1t2r s ASN 41 Ca 0.37 -0.13 0.01 0.00 -0.94 0.00 0.00 52.86 52.17 1t2r s ASN 41 Cb -0.10 -1.69 -0.01 0.00 -2.00 0.00 0.00 41.25 37.45 1t2r s ASN 41 CO 0.30 0.20 -0.04 0.54 -2.94 0.00 0.00 177.10 175.16 1t2r s VAL 42 N 0.18 0.29 -0.50 3.54 0.11 -0.81 -4.20 120.40 119.01 1t2r s VAL 42 Ca -0.02 -0.53 -0.17 0.00 -2.93 0.00 0.00 61.98 58.32 1t2r s VAL 42 Cb -0.14 -0.32 0.07 0.00 -1.53 0.00 0.00 36.38 34.46 1t2r s VAL 42 CO 0.03 -0.16 0.51 -0.69 -3.33 0.00 0.00 175.10 171.46 1t2r s VAL 43 N -0.69 5.06 -0.13 2.04 1.01 0.85 -0.12 120.40 128.43 1t2r s VAL 43 Ca -0.05 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1t2r s VAL 43 Cb -0.05 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1t2r s VAL 43 CO -0.00 -0.72 0.81 -0.47 0.00 0.00 0.00 175.10 174.72 1t2r s TYR 44 N 2.10 3.48 -0.51 5.22 5.04 0.48 -0.78 117.35 132.38 1t2r s TYR 44 Ca 0.09 1.29 -0.18 0.00 -2.44 0.00 0.00 57.07 55.82 1t2r s TYR 44 Cb -0.23 -2.97 0.07 0.00 0.35 0.00 0.00 41.96 39.18 1t2r s TYR 44 CO 0.09 -0.14 0.60 0.95 -1.34 0.00 0.00 175.55 175.70 1t2r s THR 45 N 1.73 4.93 0.02 4.34 -4.23 -1.01 -1.98 115.64 119.43 1t2r s THR 45 Ca 0.39 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.97 1t2r s THR 45 Cb -0.17 -4.29 -0.05 0.00 1.34 0.00 0.00 72.50 69.33 1t2r s THR 45 CO 0.15 -0.80 1.28 -2.84 -0.54 0.00 0.00 174.62 171.88 1t2r s PRO 46 N 2.47 4.35 0.43 3.99 0.02 -1.26 -4.89 135.00 140.11 1t2r s PRO 46 Ca 0.13 1.84 -0.23 0.00 0.02 0.00 0.00 61.00 62.76 1t2r s PRO 46 Cb -0.21 -3.46 -0.11 0.00 0.02 0.00 0.00 34.50 30.74 1t2r s PRO 46 CO 0.10 -0.43 0.72 -2.30 -0.33 0.00 0.00 177.00 174.76 1t2r n PRO 47 N 4.72 0.83 0.33 5.54 -0.02 -1.26 -4.63 135.00 140.52 1t2r n PRO 47 Ca 0.11 0.30 0.18 0.00 -2.02 0.00 0.00 63.50 62.08 1t2r n PRO 47 Cb 0.45 -1.71 0.99 0.00 -0.02 0.00 0.00 33.50 33.20 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 1.00 0.00 0.00 -0.52 3.07 -1.93 0.19 115.11 116.92 1t2r h GLN 48 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.31 1t2r h GLN 48 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.94 1t2r h GLN 48 CO 0.53 0.00 -0.04 1.03 0.09 0.00 0.00 178.83 180.44 1t2r h SER 49 N 0.00 0.00 0.17 0.06 0.87 -1.87 -1.99 113.55 110.79 1t2r h SER 49 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1t2r h SER 49 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1t2r h SER 49 CO 0.00 0.04 -0.73 0.49 -0.53 0.00 0.00 176.83 176.10 1t2r n PHE 50 N -3.17 0.00 -3.91 2.24 3.72 0.66 -4.97 117.46 112.03 1t2r n PHE 50 Ca -0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 1t2r n PHE 50 Cb 0.29 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.27 -4.79 -4.25 -1.08 6.02 -0.75 -4.96 117.38 106.30 1t2r n GLN 51 Ca 0.06 0.54 -0.25 0.00 -0.01 0.00 0.00 57.00 57.34 1t2r n GLN 51 Cb 0.35 -5.39 -0.08 0.00 1.02 0.00 0.00 30.24 26.14 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 -3.22 4.29 0.04 1.08 0.01 -1.26 -5.11 113.70 109.54 1t2r s SER 52 Ca 0.66 -1.11 0.03 0.00 1.31 0.00 0.00 55.95 56.83 1t2r s SER 52 Cb -0.34 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 1t2r s SER 52 CO 0.81 -0.47 0.02 0.00 0.41 0.00 0.00 173.24 174.02 1t2r s ALA 53 N -2.60 3.38 0.22 1.44 0.00 -1.26 -4.65 121.76 118.27 1t2r s ALA 53 Ca 0.39 -1.00 -0.32 0.00 0.00 0.00 0.00 51.96 51.02 1t2r s ALA 53 Cb 0.04 -1.34 -0.12 0.00 0.00 0.00 0.00 23.12 21.70 1t2r s ALA 53 CO 0.21 0.69 1.68 -2.30 0.00 0.00 0.00 175.76 176.05 1t2r n PRO 54 N 0.93 2.68 -3.99 0.00 -0.02 -1.26 -4.67 135.00 128.68 1t2r n PRO 54 Ca -0.12 0.96 -0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1t2r n PRO 54 Cb 0.52 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 1t2r n PRO 54 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1t2r s ARG 55 N 0.88 0.49 0.27 -0.52 1.70 -0.84 -4.91 118.95 116.02 1t2r s ARG 55 Ca 0.74 -0.80 -0.20 0.00 -0.47 0.00 0.00 55.73 55.00 1t2r s ARG 55 Cb -0.53 0.18 -0.09 0.00 -0.57 0.00 0.00 34.95 33.94 1t2r s ARG 55 CO 0.35 -0.10 0.78 0.54 -1.08 0.00 0.00 175.30 175.79 1t2r s VAL 56 N -2.45 4.51 0.02 4.99 0.11 -1.25 -0.38 120.40 125.94 1t2r s VAL 56 Ca -0.07 1.33 0.03 0.00 -2.93 0.00 0.00 61.98 60.35 1t2r s VAL 56 Cb -0.02 -3.82 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1t2r s VAL 56 CO -0.04 0.09 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.40 1t2r s TYR 57 N -1.67 0.91 -0.76 1.54 2.02 0.83 -4.93 117.35 115.30 1t2r s TYR 57 Ca 0.48 -0.29 -0.21 0.00 -0.37 0.00 0.00 57.07 56.67 1t2r s TYR 57 Cb -0.15 -0.55 0.09 0.00 -0.40 0.00 0.00 41.96 40.95 1t2r s TYR 57 CO 0.20 -0.01 1.01 0.50 -1.57 0.00 0.00 175.55 175.69 1t2r s ARG 58 N -0.83 3.28 -0.11 -0.62 6.06 -1.26 -1.92 118.95 123.56 1t2r s ARG 58 Ca -0.00 -1.20 -0.29 0.00 -2.50 0.00 0.00 55.73 51.74 1t2r s ARG 58 Cb -0.06 -4.49 -0.05 0.00 0.06 0.00 0.00 34.95 30.40 1t2r s ARG 58 CO 0.00 -1.79 1.72 0.08 -2.50 0.00 0.00 175.30 172.82 1t2r s VAL 59 N 3.50 3.51 -0.07 7.11 1.01 0.50 -4.22 120.40 131.73 1t2r s VAL 59 Ca 0.25 0.60 0.13 0.00 0.00 0.00 0.00 61.98 62.97 1t2r s VAL 59 Cb -0.13 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1t2r s VAL 59 CO 0.03 -0.12 1.16 -1.13 0.00 0.00 0.00 175.10 175.04 1t2r h ASN 60 N 10.44 0.00 0.00 3.32 -1.24 -1.54 0.42 115.58 126.98 1t2r h ASN 60 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1t2r h ASN 60 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1t2r h ASN 60 CO 0.97 0.68 0.00 0.61 -1.29 0.00 0.00 177.43 178.40 1t2r n GLY 61 N 1.33 -0.63 3.20 1.57 0.00 -0.96 -3.91 105.19 105.80 1t2r n GLY 61 Ca -0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 2.44 0.45 0.99 1.43 -1.26 -0.75 118.68 121.98 1t2r s LEU 62 Ca 0.00 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 1t2r s LEU 62 Cb 0.00 -0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1t2r s LEU 62 CO 0.00 -0.45 0.65 -0.55 0.23 0.00 0.00 176.35 176.23 1t2r s SER 63 N -3.10 5.77 0.00 2.29 0.15 -1.03 -4.58 113.70 113.21 1t2r s SER 63 Ca 0.15 0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.23 1t2r s SER 63 Cb 0.05 -1.38 0.79 0.00 -1.71 0.00 0.00 66.02 63.77 1t2r s SER 63 CO -0.02 -0.72 1.59 -1.14 1.20 0.00 0.00 173.24 174.15 1t2r n ARG 64 N -2.04 0.49 -3.98 5.44 3.00 -1.26 -4.82 116.66 113.49 1t2r n ARG 64 Ca 0.02 -0.26 -0.13 0.00 -0.00 0.00 0.00 57.85 57.48 1t2r n ARG 64 Cb 0.58 -1.49 -0.14 0.00 0.00 0.00 0.00 32.46 31.40 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 -2.69 0.17 0.69 5.13 0.00 -1.26 -5.14 121.76 118.66 1t2r s ALA 65 Ca 0.20 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 1t2r s ALA 65 Cb 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1t2r s ALA 65 CO 0.57 0.04 1.11 -1.25 0.00 0.00 0.00 175.76 176.23 1t2r s PRO 66 N -0.05 2.63 0.60 0.00 0.04 -1.26 -4.45 135.00 132.51 1t2r s PRO 66 Ca 0.01 1.38 0.30 0.00 0.04 0.00 0.00 61.00 62.73 1t2r s PRO 66 Cb -0.01 -1.93 1.81 0.00 0.04 0.00 0.00 34.50 34.41 1t2r s PRO 66 CO -0.00 -1.38 2.22 0.00 0.04 0.00 0.00 177.00 177.88 1t2r h ALA 67 N -0.23 1.57 -0.01 8.56 0.00 -1.51 0.27 119.26 127.91 1t2r h ALA 67 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1t2r h ALA 67 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t2r h ALA 67 CO 0.53 -0.08 -0.11 0.45 0.00 0.00 0.00 179.25 180.04 1t2r n SER 68 N -3.79 1.09 -0.56 0.00 2.88 -0.82 -1.54 113.62 110.89 1t2r n SER 68 Ca -0.02 -1.11 0.06 0.00 -1.33 0.00 0.00 58.87 56.47 1t2r n SER 68 Cb 0.15 0.04 0.13 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.36 1.57 -3.83 -3.46 2.88 0.93 -4.98 113.62 106.38 1t2r n SER 69 Ca 0.16 -3.09 -0.24 0.00 -1.33 0.00 0.00 58.87 54.38 1t2r n SER 69 Cb 0.33 -0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.17 0.89 0.01 -1.46 2.56 -1.07 -4.74 118.70 112.72 1t2r s GLU 70 Ca 0.30 -0.02 0.03 0.00 0.00 0.00 0.00 54.97 55.28 1t2r s GLU 70 Cb 0.29 -1.12 -0.04 0.00 2.00 0.00 0.00 34.13 35.27 1t2r s GLU 70 CO -0.04 -0.26 -0.04 0.95 -0.56 0.00 0.00 175.26 175.31 1t2r s THR 71 N 1.74 3.85 0.00 -1.70 -4.23 -1.26 -1.69 115.64 112.35 1t2r s THR 71 Ca 0.03 -0.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 1t2r s THR 71 Cb -0.13 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1t2r s THR 71 CO -0.05 0.36 -0.20 0.72 -0.54 0.00 0.00 174.62 174.91 1t2r s PHE 72 N -1.05 1.78 -0.49 3.99 -0.71 0.58 -4.93 117.98 117.15 1t2r s PHE 72 Ca 0.19 -0.35 -0.23 0.00 -1.04 0.00 0.00 56.93 55.50 1t2r s PHE 72 Cb -0.11 -1.12 0.03 0.00 -1.21 0.00 0.00 43.02 40.61 1t2r s PHE 72 CO 0.09 0.01 0.83 -2.00 -1.34 0.00 0.00 175.22 172.81 1t2r s GLU 73 N -0.69 3.37 -0.29 1.99 2.12 -1.26 -1.93 118.70 122.00 1t2r s GLU 73 Ca 0.08 -0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 1t2r s GLU 73 Cb -0.08 -3.99 0.04 0.00 0.26 0.00 0.00 34.13 30.36 1t2r s GLU 73 CO 0.00 -1.26 -0.01 -1.58 -0.54 0.00 0.00 175.26 171.87 1t2r s HIS 74 N 3.48 3.22 -1.26 5.30 2.46 0.81 -4.67 115.29 124.63 1t2r s HIS 74 Ca 0.29 -1.79 -0.06 0.00 0.47 0.00 0.00 55.06 53.97 1t2r s HIS 74 Cb -0.13 -2.09 0.01 0.00 -0.13 0.00 0.00 32.58 30.24 1t2r s HIS 74 CO 0.21 -0.78 1.09 -3.47 -2.47 0.00 0.00 174.74 169.32 1t2r n ASP 75 N 4.64 -5.03 -0.03 9.88 2.03 -1.26 -2.07 116.55 124.70 1t2r n ASP 75 Ca -0.14 -0.54 -0.00 0.00 0.52 0.00 0.00 54.79 54.63 1t2r n ASP 75 Cb 0.44 -4.89 -0.00 0.00 -0.72 0.00 0.00 41.12 35.95 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 -1.72 0.47 3.16 0.27 0.00 -1.26 -5.02 105.19 101.09 1t2r n GLY 76 Ca -0.07 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.61 1.93 -0.33 1.61 -0.14 -0.88 -5.11 119.74 116.22 1t2r s LYS 77 Ca 0.00 -0.66 -0.20 0.00 -1.36 0.00 0.00 55.97 53.74 1t2r s LYS 77 Cb 0.00 -1.67 -0.00 0.00 -1.68 0.00 0.00 37.83 34.48 1t2r s LYS 77 CO 0.00 0.27 0.64 0.15 -0.76 0.00 0.00 175.35 175.64 1t2r s LYS 78 N 0.01 3.81 0.03 1.68 1.02 -1.26 -0.13 119.74 124.90 1t2r s LYS 78 Ca -0.04 0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.20 1t2r s LYS 78 Cb -0.12 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1t2r s LYS 78 CO 0.03 -0.64 -0.11 0.54 -0.92 0.00 0.00 175.35 174.24 1t2r s VAL 79 N 2.66 0.84 0.57 3.17 0.11 -0.81 -4.94 120.40 122.01 1t2r s VAL 79 Ca 0.25 -0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 58.42 1t2r s VAL 79 Cb -0.15 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1t2r s VAL 79 CO 0.13 -0.02 0.90 0.42 -3.33 0.00 0.00 175.10 173.20 1t2r s THR 80 N -0.75 4.19 0.21 5.04 -4.23 -1.26 -0.31 115.64 118.54 1t2r s THR 80 Ca -0.00 0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 1t2r s THR 80 Cb -0.07 -3.65 0.15 0.00 1.34 0.00 0.00 72.50 70.27 1t2r s THR 80 CO 0.01 -0.71 1.84 0.40 -0.54 0.00 0.00 174.62 175.62 1t2r h ILE 81 N -0.12 1.07 -0.47 2.99 1.08 -1.09 0.40 117.51 121.38 1t2r h ILE 81 Ca -0.46 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 1t2r h ILE 81 Cb 1.23 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1t2r h ILE 81 CO 0.61 0.15 0.22 0.00 -0.69 0.00 0.00 178.15 178.45 1t2r h ALA 82 N 1.32 0.61 0.00 1.87 0.00 -1.56 -2.05 119.26 119.44 1t2r h ALA 82 Ca 0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1t2r h ALA 82 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1t2r h ALA 82 CO -0.13 0.18 -0.22 0.77 0.00 0.00 0.00 179.25 179.85 1t2r h SER 83 N 0.62 0.00 -0.12 0.00 0.02 -1.71 0.17 113.55 112.53 1t2r h SER 83 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1t2r h SER 83 Cb 0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1t2r h SER 83 CO -0.02 0.22 0.04 0.22 -1.14 0.00 0.00 176.83 176.15 1t2r h TYR 84 N 0.00 0.19 -0.43 3.45 3.20 -0.24 0.21 116.97 123.36 1t2r h TYR 84 Ca -0.00 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 1t2r h TYR 84 Cb 0.48 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1t2r h TYR 84 CO 0.00 0.30 -0.19 0.74 -1.64 0.00 0.00 178.16 177.37 1t2r h PHE 85 N 0.03 0.94 -0.62 -3.82 0.04 -1.06 -2.59 116.94 109.86 1t2r h PHE 85 Ca 0.04 -0.21 0.03 0.00 2.80 0.00 0.00 57.97 60.64 1t2r h PHE 85 Cb 0.19 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1t2r h PHE 85 CO -0.01 0.95 0.41 1.25 -0.60 0.00 0.00 178.31 180.31 1t2r h HIS 86 N 0.73 0.71 0.00 -0.55 2.76 -0.31 0.21 115.15 118.70 1t2r h HIS 86 Ca 0.11 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1t2r h HIS 86 Cb 0.71 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 1t2r h HIS 86 CO 0.04 0.41 -0.14 1.03 -1.30 0.00 0.00 177.93 177.97 1t2r h SER 87 N 0.73 0.00 -0.54 3.26 0.87 -0.19 -1.95 113.55 115.73 1t2r h SER 87 Ca 0.25 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1t2r h SER 87 Cb 0.08 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.97 1t2r h SER 87 CO -0.07 0.14 0.15 0.54 -0.53 0.00 0.00 176.83 177.06 1t2r n ARG 88 N -3.68 3.43 -2.08 2.24 5.12 0.52 -4.86 116.66 117.35 1t2r n ARG 88 Ca -0.02 -2.41 -0.12 0.00 -1.93 0.00 0.00 57.85 53.37 1t2r n ARG 88 Cb 0.26 -2.04 -0.01 0.00 -1.16 0.00 0.00 32.46 29.50 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 0.12 -4.00 -3.69 0.55 5.15 -0.73 -4.77 115.26 107.88 1t2r n ASN 89 Ca 0.29 0.04 -0.28 0.00 -0.60 0.00 0.00 54.58 54.03 1t2r n ASN 89 Cb 1.11 -3.10 -0.12 0.00 -0.53 0.00 0.00 39.78 37.14 1t2r n ASN 89 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1t2r s TYR 90 N -2.59 2.40 -0.41 1.20 5.04 -0.02 -4.98 117.35 118.00 1t2r s TYR 90 Ca 0.00 -2.81 -0.26 0.00 -2.44 0.00 0.00 57.07 51.56 1t2r s TYR 90 Cb 0.00 -1.94 0.02 0.00 0.35 0.00 0.00 41.96 40.39 1t2r s TYR 90 CO 0.00 -0.69 0.94 -1.25 -1.34 0.00 0.00 175.55 173.21 1t2r s PRO 91 N -0.57 3.72 0.31 4.97 0.04 -1.26 -2.41 135.00 139.81 1t2r s PRO 91 Ca 0.26 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1t2r s PRO 91 Cb -0.06 -3.86 -0.10 0.00 0.04 0.00 0.00 34.50 30.52 1t2r s PRO 91 CO -0.14 -1.09 1.36 -0.51 0.04 0.00 0.00 177.00 176.66 1t2r s LEU 92 N 3.66 4.40 0.52 -3.56 1.43 -1.26 -4.90 118.68 118.97 1t2r s LEU 92 Ca 0.39 2.72 0.30 0.00 -1.03 0.00 0.00 54.13 56.51 1t2r s LEU 92 Cb -0.11 -3.64 1.16 0.00 0.03 0.00 0.00 46.19 43.63 1t2r s LEU 92 CO 0.23 -0.62 1.91 0.11 0.23 0.00 0.00 176.35 178.21 1t2r h LYS 93 N 3.83 0.00 -2.14 1.70 1.57 -2.01 -3.32 116.57 116.20 1t2r h LYS 93 Ca -0.48 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.72 1t2r h LYS 93 Cb 1.22 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.13 1t2r h LYS 93 CO 0.69 0.05 -0.84 1.19 -0.57 0.00 0.00 179.45 179.97 1t2r n PHE 94 N -3.16 1.66 0.31 -1.35 3.72 -1.26 -4.83 117.46 112.55 1t2r n PHE 94 Ca 0.01 -3.86 0.08 0.00 -0.05 0.00 0.00 57.45 53.62 1t2r n PHE 94 Cb 0.36 -0.44 0.35 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.21 0.08 -0.39 -1.08 -0.02 -1.25 -1.69 135.00 131.86 1t2r n PRO 95 Ca 0.26 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 62.20 1t2r n PRO 95 Cb 0.46 -1.70 0.20 0.00 -0.02 0.00 0.00 33.50 32.45 1t2r n PRO 95 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1t2r n GLN 96 N -1.86 2.71 -2.96 -0.52 6.02 -1.26 -1.94 117.38 117.57 1t2r n GLN 96 Ca 0.01 -1.57 -0.39 0.00 -0.01 0.00 0.00 57.00 55.05 1t2r n GLN 96 Cb 0.13 -1.73 -0.06 0.00 1.02 0.00 0.00 30.24 29.60 1t2r n GLN 96 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1t2r s LEU 97 N -1.31 4.56 -0.48 1.08 0.05 -0.68 -3.84 118.68 118.06 1t2r s LEU 97 Ca 0.28 1.66 -0.27 0.00 0.05 0.00 0.00 54.13 55.85 1t2r s LEU 97 Cb 0.19 -3.40 0.03 0.00 -2.05 0.00 0.00 46.19 40.96 1t2r s LEU 97 CO 0.11 0.17 1.02 -1.00 -0.55 0.00 0.00 176.35 176.10 1t2r s HIS 98 N -1.22 2.85 0.75 3.48 3.76 -1.26 -2.57 115.29 121.08 1t2r s HIS 98 Ca 0.38 0.49 -0.14 0.00 -0.15 0.00 0.00 55.06 55.64 1t2r s HIS 98 Cb -0.22 -4.19 0.05 0.00 1.11 0.00 0.00 32.58 29.32 1t2r s HIS 98 CO 0.26 -1.21 1.19 0.00 -0.85 0.00 0.00 174.74 174.14 1t2r s LEU 100 N -5.34 4.29 -0.75 0.00 1.02 0.62 -2.47 118.68 116.05 1t2r s LEU 100 Ca 0.73 1.52 -0.27 0.00 0.02 0.00 0.00 54.13 56.13 1t2r s LEU 100 Cb -0.28 -3.49 0.03 0.00 0.02 0.00 0.00 46.19 42.47 1t2r s LEU 100 CO 0.47 -0.34 1.33 0.21 0.02 0.00 0.00 176.35 178.03 1t2r s ASN 101 N 1.04 6.13 0.00 2.29 2.47 0.07 -0.82 114.94 126.13 1t2r s ASN 101 Ca 0.48 -0.48 0.00 0.00 0.42 0.00 0.00 52.86 53.28 1t2r s ASN 101 Cb -0.19 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1t2r s ASN 101 CO 0.21 -1.85 0.00 1.33 -3.72 0.00 0.00 177.10 173.07 1t2r n VAL 102 N 6.47 0.00 -0.03 -5.21 0.24 0.49 -1.79 118.33 118.49 1t2r n VAL 102 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1t2r n VAL 102 Cb 0.49 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 3.23 -2.10 3.79 7.63 0.00 -1.26 -2.55 105.19 113.91 1t2r n GLY 103 Ca 0.00 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1t2r n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t2r s SER 104 N -4.85 6.13 0.00 1.61 1.04 -1.26 -4.88 113.70 111.49 1t2r s SER 104 Ca 0.00 2.06 0.11 0.00 0.48 0.00 0.00 55.95 58.60 1t2r s SER 104 Cb 0.00 -2.57 0.66 0.00 0.10 0.00 0.00 66.02 64.20 1t2r s SER 104 CO 0.00 -0.93 1.14 -0.24 0.98 0.00 0.00 173.24 174.18 1t2r n SER 105 N -0.99 0.00 -0.03 7.02 2.88 -1.26 -1.24 113.62 120.00 1t2r n SER 105 Ca 0.10 -0.27 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 1t2r n SER 105 Cb 0.51 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 1t2r n SER 105 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1t2r h ILE 106 N 0.00 1.29 -3.39 2.46 3.07 -1.98 -3.40 117.51 115.55 1t2r h ILE 106 Ca 0.00 -1.91 -0.59 0.00 1.55 0.00 0.00 64.86 63.91 1t2r h ILE 106 Cb 0.02 1.88 -0.39 0.00 -0.27 0.00 0.00 36.82 38.06 1t2r h ILE 106 CO 0.00 0.61 -0.76 -1.59 -1.05 0.00 0.00 178.15 175.35 1t2r s LYS 107 N -3.86 1.07 -0.44 0.16 0.00 -0.37 -5.09 119.74 111.21 1t2r s LYS 107 Ca -0.10 -0.99 -0.28 0.00 0.00 0.00 0.00 55.97 54.60 1t2r s LYS 107 Cb 0.09 -2.33 0.00 0.00 0.00 0.00 0.00 37.83 35.59 1t2r s LYS 107 CO 0.89 -0.78 1.53 -1.54 0.00 0.00 0.00 175.35 175.45 1t2r s SER 108 N 1.52 6.12 -0.11 0.03 1.04 -1.26 -4.22 113.70 116.83 1t2r s SER 108 Ca 0.03 0.79 0.02 0.00 0.48 0.00 0.00 55.95 57.27 1t2r s SER 108 Cb -0.18 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1t2r s SER 108 CO -0.14 -1.62 -0.18 0.27 0.98 0.00 0.00 173.24 172.56 1t2r s ILE 109 N 6.14 2.62 -0.32 -1.02 -4.36 -1.06 -4.99 121.20 118.21 1t2r s ILE 109 Ca 0.64 -0.82 -0.14 0.00 -0.26 0.00 0.00 60.65 60.07 1t2r s ILE 109 Cb -0.15 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 1t2r s ILE 109 CO 0.31 0.54 0.31 -0.76 0.24 0.00 0.00 174.94 175.58 1t2r s LEU 110 N 0.30 4.31 -0.14 0.37 1.02 -1.25 -0.38 118.68 122.90 1t2r s LEU 110 Ca -0.13 -0.14 -0.04 0.00 0.02 0.00 0.00 54.13 53.84 1t2r s LEU 110 Cb -0.17 -2.28 -0.03 0.00 0.02 0.00 0.00 46.19 43.73 1t2r s LEU 110 CO 0.07 -0.24 -0.01 -0.76 0.02 0.00 0.00 176.35 175.43 1t2r s LEU 111 N 1.93 3.46 -0.15 1.79 1.43 0.00 -4.77 118.68 122.37 1t2r s LEU 111 Ca 0.11 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 1t2r s LEU 111 Cb -0.16 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1t2r s LEU 111 CO 0.11 0.23 1.88 -2.16 0.23 0.00 0.00 176.35 176.64 1t2r s PRO 112 N 0.03 3.71 0.62 1.29 0.04 -1.26 -0.28 135.00 139.16 1t2r s PRO 112 Ca 0.02 2.03 0.33 0.00 0.04 0.00 0.00 61.00 63.42 1t2r s PRO 112 Cb -0.13 -4.16 1.88 0.00 0.04 0.00 0.00 34.50 32.13 1t2r s PRO 112 CO 0.02 -1.42 2.16 0.97 0.04 0.00 0.00 177.00 178.77 1t2r h ILE 113 N 6.27 0.28 -0.82 0.56 2.10 -1.93 0.13 117.51 124.09 1t2r h ILE 113 Ca -0.40 0.00 0.07 0.00 1.08 0.00 0.00 64.86 65.60 1t2r h ILE 113 Cb 1.20 0.87 -0.05 0.00 -1.09 0.00 0.00 36.82 37.75 1t2r h ILE 113 CO 0.97 0.00 0.54 -0.08 -1.08 0.00 0.00 178.15 178.50 1t2r h GLU 114 N 0.00 0.87 -0.55 2.19 4.57 -1.95 -2.88 114.58 116.82 1t2r h GLU 114 Ca 0.04 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1t2r h GLU 114 Cb 0.33 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1t2r h GLU 114 CO -0.00 0.58 0.00 1.28 -1.18 0.00 0.00 179.01 179.69 1t2r n LEU 115 N -4.49 4.01 -4.67 1.64 4.77 0.45 -4.78 117.00 113.93 1t2r n LEU 115 Ca 0.12 -2.28 -0.32 0.00 -0.03 0.00 0.00 56.01 53.50 1t2r n LEU 115 Cb 0.22 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 1t2r n LEU 115 CO 0.33 0.82 -0.33 0.00 -1.33 0.00 0.00 177.39 176.88 1t2r s SER 117 N -1.57 4.22 -0.46 0.00 0.01 0.04 -1.47 113.70 114.47 1t2r s SER 117 Ca 0.19 -1.44 -0.25 0.00 1.31 0.00 0.00 55.95 55.77 1t2r s SER 117 Cb -0.11 -1.37 0.03 0.00 0.21 0.00 0.00 66.02 64.77 1t2r s SER 117 CO 0.10 -0.25 0.89 -0.51 0.41 0.00 0.00 173.24 173.88 1t2r s ILE 118 N 1.22 4.51 0.04 1.44 2.07 0.14 -0.10 121.20 130.52 1t2r s ILE 118 Ca -0.04 0.64 -0.31 0.00 -1.41 0.00 0.00 60.65 59.54 1t2r s ILE 118 Cb -0.19 -4.42 -0.06 0.00 0.13 0.00 0.00 42.46 37.92 1t2r s ILE 118 CO -0.07 -0.83 1.35 -1.61 -1.91 0.00 0.00 174.94 171.88 1t2r s GLU 119 N 3.66 4.33 0.63 3.50 2.02 -1.26 -0.63 118.70 130.94 1t2r s GLU 119 Ca 0.35 1.95 0.28 0.00 0.02 0.00 0.00 54.97 57.57 1t2r s GLU 119 Cb -0.11 -3.43 1.52 0.00 0.10 0.00 0.00 34.13 32.21 1t2r s GLU 119 CO 0.25 -0.47 1.84 1.05 0.02 0.00 0.00 175.26 177.96 1t2r h GLU 120 N 7.30 0.00 0.00 1.61 4.11 -1.58 -3.44 114.58 122.58 1t2r h GLU 120 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1t2r h GLU 120 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1t2r h GLU 120 CO 0.87 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.36 1t2r n GLY 121 N -1.23 0.88 0.28 1.06 0.00 -1.26 -4.85 105.19 100.07 1t2r n GLY 121 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 3.04 0.00 0.00 1.61 1.08 -1.95 -3.55 115.11 115.33 1t2r h GLN 122 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1t2r h GLN 122 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1t2r h GLN 122 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88