#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 1.15 0.00 4.61 0.00 -1.26 -4.83 121.76 121.43 1t2r s ALA 2 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1t2r s ALA 2 Cb 0.00 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.47 1t2r s ALA 2 CO 0.00 -0.58 0.00 -1.33 0.00 0.00 0.00 175.76 173.85 1t2r n MET 3 N -0.26 -1.36 -4.03 0.00 0.00 -1.26 -4.94 117.12 105.27 1t2r n MET 3 Ca 0.01 0.34 -0.31 0.00 0.00 0.00 0.00 57.70 57.74 1t2r n MET 3 Cb 0.66 -4.40 -0.15 0.00 0.00 0.00 0.00 33.22 29.32 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 -1.31 2.37 -0.26 3.04 0.00 -1.26 -2.26 121.76 122.06 1t2r s ALA 4 Ca 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.18 1t2r s ALA 4 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1t2r s ALA 4 CO 0.00 -1.19 0.40 -1.64 0.00 0.00 0.00 175.76 173.34 1t2r s MET 5 N 1.20 4.03 0.12 0.00 1.00 -0.16 -4.88 119.30 120.62 1t2r s MET 5 Ca -0.08 0.10 -0.33 0.00 0.00 0.00 0.00 55.69 55.38 1t2r s MET 5 Cb -0.20 -3.65 -0.13 0.00 0.00 0.00 0.00 34.83 30.86 1t2r s MET 5 CO -0.05 -0.28 1.69 -2.30 0.00 0.00 0.00 175.02 174.07 1t2r n PRO 6 N 5.34 2.34 0.31 2.03 -0.02 -1.26 0.10 135.00 143.84 1t2r n PRO 6 Ca -0.08 0.85 0.17 0.00 -2.02 0.00 0.00 63.50 62.42 1t2r n PRO 6 Cb 0.51 -2.66 0.98 0.00 -0.02 0.00 0.00 33.50 32.31 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 6.95 0.00 -0.02 -0.52 2.86 -0.93 0.28 114.93 123.55 1t2r h MET 7 Ca -0.45 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1t2r h MET 7 Cb 1.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1t2r h MET 7 CO 0.92 0.01 -0.00 0.82 1.06 0.00 0.00 176.91 179.71 1t2r h ILE 8 N 0.00 1.28 -0.97 -1.22 1.08 -1.81 -2.24 117.51 113.63 1t2r h ILE 8 Ca -0.00 -0.85 0.10 0.00 -0.39 0.00 0.00 64.86 63.72 1t2r h ILE 8 Cb 0.02 1.81 -0.07 0.00 -3.07 0.00 0.00 36.82 35.51 1t2r h ILE 8 CO 0.00 0.23 0.62 -0.08 -0.69 0.00 0.00 178.15 178.23 1t2r h GLU 9 N -0.30 0.97 -0.19 2.37 4.57 -0.97 -1.27 114.58 119.76 1t2r h GLU 9 Ca 0.01 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1t2r h GLU 9 Cb 0.37 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1t2r h GLU 9 CO 0.00 0.64 -0.09 -0.92 -1.18 0.00 0.00 179.01 177.47 1t2r h TYR 10 N 1.00 -0.20 -0.53 0.92 5.03 -0.56 -1.51 116.97 121.11 1t2r h TYR 10 Ca 0.45 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.73 1t2r h TYR 10 Cb 0.39 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1t2r h TYR 10 CO -0.00 -0.14 0.13 -0.07 -1.32 0.00 0.00 178.16 176.76 1t2r h LEU 11 N -0.06 0.80 0.02 2.82 3.38 -0.68 -1.75 115.31 119.85 1t2r h LEU 11 Ca 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1t2r h LEU 11 Cb 0.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1t2r h LEU 11 CO -0.23 0.83 -0.01 -0.33 0.09 0.00 0.00 178.44 178.79 1t2r h GLU 12 N 0.74 -0.03 0.09 1.13 5.08 -1.00 0.86 114.58 121.46 1t2r h GLU 12 Ca 0.17 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.27 1t2r h GLU 12 Cb 0.34 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1t2r h GLU 12 CO 0.00 -0.01 -1.15 0.07 -1.00 0.00 0.00 179.01 176.92 1t2r h ARG 13 N -0.04 0.25 0.00 2.33 0.11 -1.21 0.78 114.38 116.60 1t2r h ARG 13 Ca -0.00 -0.39 -0.42 0.00 0.10 0.00 0.00 59.98 59.26 1t2r h ARG 13 Cb 0.03 0.14 -0.07 0.00 1.11 0.00 0.00 29.97 31.18 1t2r h ARG 13 CO 0.00 1.16 -2.49 1.19 0.10 0.00 0.00 179.97 179.94 1t2r n PHE 14 N -3.55 0.00 -0.11 4.08 3.72 -0.66 -4.60 117.46 116.34 1t2r n PHE 14 Ca -0.07 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.14 1t2r n PHE 14 Cb 0.98 -0.98 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 -3.75 1.89 -0.03 4.37 2.88 -0.05 -4.63 113.62 114.31 1t2r n SER 15 Ca -0.50 0.43 -0.04 0.00 -1.33 0.00 0.00 58.87 57.43 1t2r n SER 15 Cb 0.93 -0.88 -0.13 0.00 -0.75 0.00 0.00 64.21 63.38 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 -4.42 0.46 -1.64 2.46 4.77 0.10 -4.95 117.00 113.78 1t2r n LEU 16 Ca -0.32 0.21 -0.19 0.00 -0.03 0.00 0.00 56.01 55.68 1t2r n LEU 16 Cb 0.65 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.91 1t2r n LEU 16 CO 0.13 0.30 -0.20 0.29 -1.33 0.00 0.00 177.39 176.59 1t2r n LYS 17 N -2.80 -1.36 -4.14 3.23 4.76 0.26 -4.96 118.16 113.15 1t2r n LYS 17 Ca -0.19 1.09 -0.10 0.00 -2.87 0.00 0.00 58.31 56.24 1t2r n LYS 17 Cb 0.96 -5.46 -0.10 0.00 -1.84 0.00 0.00 35.03 28.60 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 -2.77 0.82 -0.09 7.82 0.00 -1.15 -5.01 121.76 121.38 1t2r s ALA 18 Ca 0.00 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 1t2r s ALA 18 Cb 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 1t2r s ALA 18 CO 0.00 -0.54 0.59 0.21 0.00 0.00 0.00 175.76 176.02 1t2r s LYS 19 N -4.07 4.39 0.17 0.00 2.47 -1.26 -4.34 119.74 117.09 1t2r s LYS 19 Ca 0.27 0.66 -0.31 0.00 -1.56 0.00 0.00 55.97 55.04 1t2r s LYS 19 Cb 0.07 -3.44 -0.09 0.00 -1.46 0.00 0.00 37.83 32.91 1t2r s LYS 19 CO 0.04 0.11 1.39 0.42 0.16 0.00 0.00 175.35 177.47 1t2r s ILE 20 N 0.72 3.11 0.32 5.43 -1.09 -1.26 -4.94 121.20 123.49 1t2r s ILE 20 Ca 0.32 0.85 0.07 0.00 -2.23 0.00 0.00 60.65 59.65 1t2r s ILE 20 Cb -0.16 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1t2r s ILE 20 CO 0.14 0.10 0.25 -3.20 -1.23 0.00 0.00 174.94 171.00 1t2r n ASN 21 N 3.28 -0.41 0.25 3.58 2.85 -1.26 -5.01 115.26 118.54 1t2r n ASN 21 Ca 0.09 -3.08 0.14 0.00 -0.11 0.00 0.00 54.58 51.62 1t2r n ASN 21 Cb 0.42 1.51 0.50 0.00 1.24 0.00 0.00 39.78 43.44 1t2r n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1t2r h ASN 22 N 1.89 0.00 1.29 1.20 7.08 -1.95 -2.96 115.58 122.12 1t2r h ASN 22 Ca -0.23 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 52.87 1t2r h ASN 22 Cb 1.14 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.36 1t2r h ASN 22 CO 0.35 0.07 -0.74 0.71 -2.08 0.00 0.00 177.43 175.74 1t2r h THR 23 N 0.00 0.74 -2.97 6.14 1.35 -1.95 -3.45 112.91 112.78 1t2r h THR 23 Ca -0.00 -2.12 -0.57 0.00 -0.55 0.00 0.00 66.41 63.17 1t2r h THR 23 Cb 0.71 2.30 -0.05 0.00 -1.73 0.00 0.00 68.15 69.38 1t2r h THR 23 CO 0.01 0.42 0.87 0.42 -0.25 0.00 0.00 175.52 177.00 1t2r s THR 24 N -2.97 4.40 -0.57 6.82 -4.23 -1.12 -4.98 115.64 113.00 1t2r s THR 24 Ca 0.02 1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 61.98 1t2r s THR 24 Cb 0.08 -4.10 0.04 0.00 1.34 0.00 0.00 72.50 69.87 1t2r s THR 24 CO 0.76 -0.16 0.96 0.20 -0.54 0.00 0.00 174.62 175.84 1t2r s ASN 25 N 1.76 6.32 0.49 3.99 0.02 -1.26 -4.72 114.94 121.55 1t2r s ASN 25 Ca 0.51 -0.40 0.23 0.00 -1.02 0.00 0.00 52.86 52.19 1t2r s ASN 25 Cb -0.20 -2.44 1.29 0.00 0.02 0.00 0.00 41.25 39.92 1t2r s ASN 25 CO 0.12 -1.27 1.94 -0.07 0.02 0.00 0.00 177.10 177.85 1t2r h LEU 26 N 11.07 0.15 -0.85 0.60 -0.00 -1.94 -2.22 115.31 122.11 1t2r h LEU 26 Ca -0.26 0.01 0.21 0.00 -0.00 0.00 0.00 57.88 57.83 1t2r h LEU 26 Cb 1.07 -0.02 -0.12 0.00 -0.00 0.00 0.00 40.66 41.59 1t2r h LEU 26 CO 1.10 0.07 0.30 -0.78 -0.00 0.00 0.00 178.44 179.14 1t2r h ASP 27 N 0.15 0.18 0.34 -0.43 1.82 -1.91 0.84 116.42 117.42 1t2r h ASP 27 Ca 0.34 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.14 1t2r h ASP 27 Cb 1.12 0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1t2r h ASP 27 CO -0.05 -0.04 0.00 -1.22 -1.61 0.00 0.00 179.24 176.32 1t2r n TYR 28 N -5.11 0.63 -0.04 0.28 4.02 -0.84 -1.85 117.16 114.25 1t2r n TYR 28 Ca 0.20 0.29 -0.07 0.00 -0.01 0.00 0.00 57.90 58.31 1t2r n TYR 28 Cb 0.60 -0.96 -0.03 0.00 -0.02 0.00 0.00 39.34 38.93 1t2r n TYR 28 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1t2r n SER 29 N -2.11 2.39 -0.25 7.72 7.64 -0.27 -4.82 113.62 123.92 1t2r n SER 29 Ca 0.01 0.01 0.11 0.00 1.01 0.00 0.00 58.87 60.00 1t2r n SER 29 Cb 0.12 -0.17 0.38 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.68 0.00 1.43 9.65 0.10 0.12 114.38 126.25 1t2r h ARG 30 Ca -0.19 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.60 1t2r h ARG 30 Cb 1.24 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 1t2r h ARG 30 CO -0.06 0.45 -0.25 -0.09 2.80 0.00 0.00 179.97 182.81 1t2r h ARG 31 N 0.70 0.00 -0.01 0.20 2.43 -1.58 -1.73 114.38 114.40 1t2r h ARG 31 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1t2r h ARG 31 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1t2r h ARG 31 CO -0.18 0.25 -0.47 1.19 -1.51 0.00 0.00 179.97 179.26 1t2r n PHE 32 N -4.12 0.00 1.02 2.20 3.72 -0.01 -3.75 117.46 116.52 1t2r n PHE 32 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 1t2r n PHE 32 Cb 0.31 -0.12 0.28 0.00 -0.94 0.00 0.00 39.48 39.01 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 -0.89 0.53 -0.20 4.37 4.77 -0.66 -4.37 117.00 120.55 1t2r n LEU 33 Ca 0.09 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1t2r n LEU 33 Cb 0.36 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1t2r n LEU 33 CO 0.31 0.13 0.68 -0.33 -1.33 0.00 0.00 177.39 176.85 1t2r h GLU 34 N 0.10 -0.10 -0.05 3.23 5.08 -1.62 -0.03 114.58 121.19 1t2r h GLU 34 Ca 0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1t2r h GLU 34 Cb 0.50 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1t2r h GLU 34 CO 0.00 -0.07 0.11 -1.00 -1.00 0.00 0.00 179.01 177.05 1t2r h PRO 35 N -0.10 0.00 0.19 2.33 0.13 -1.88 -0.51 132.00 132.16 1t2r h PRO 35 Ca 0.26 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.04 1t2r h PRO 35 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.66 1t2r h PRO 35 CO -0.65 0.00 -1.72 0.35 -0.23 0.00 0.00 178.00 175.75 1t2r h PHE 36 N 0.00 0.73 0.00 1.56 3.57 -1.34 -3.33 116.94 118.13 1t2r h PHE 36 Ca 0.03 -0.53 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 1t2r h PHE 36 Cb 0.24 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1t2r h PHE 36 CO 0.00 1.65 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.57 1t2r h LEU 37 N 0.11 0.00 -8.59 0.59 -0.00 -0.10 -3.41 115.31 103.91 1t2r h LEU 37 Ca -0.33 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.06 1t2r h LEU 37 Cb 2.10 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.75 1t2r h LEU 37 CO 0.19 0.09 1.47 -0.60 -0.00 0.00 0.00 178.44 179.59 1t2r s ARG 38 N -4.38 2.48 0.00 1.13 3.52 -0.53 -2.72 118.95 118.45 1t2r s ARG 38 Ca -0.04 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 1t2r s ARG 38 Cb 0.14 -4.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.07 1t2r s ARG 38 CO 0.58 -2.87 0.00 0.41 -0.81 0.00 0.00 175.30 172.62 1t2r n GLY 39 N 5.81 1.49 4.01 8.12 0.00 0.55 -4.99 105.19 120.18 1t2r n GLY 39 Ca 0.28 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.04 2.90 -0.06 -0.61 -4.36 -1.08 -4.90 121.20 111.05 1t2r s ILE 40 Ca 0.00 -1.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.42 1t2r s ILE 40 Cb 0.00 -2.91 0.01 0.00 1.25 0.00 0.00 42.46 40.81 1t2r s ILE 40 CO 0.00 0.00 -0.16 0.54 0.24 0.00 0.00 174.94 175.56 1t2r s ASN 41 N -4.38 2.10 -0.08 4.36 4.22 -1.26 0.13 114.94 120.04 1t2r s ASN 41 Ca 0.56 -0.36 0.04 0.00 -2.14 0.00 0.00 52.86 50.96 1t2r s ASN 41 Cb -0.09 -0.85 -0.01 0.00 1.28 0.00 0.00 41.25 41.57 1t2r s ASN 41 CO 0.34 0.09 -0.20 0.68 -2.04 0.00 0.00 177.10 175.96 1t2r s VAL 42 N 0.42 2.45 -0.58 3.54 -7.23 0.55 -4.23 120.40 115.32 1t2r s VAL 42 Ca -0.12 -0.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 1t2r s VAL 42 Cb -0.15 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.91 1t2r s VAL 42 CO 0.04 0.56 0.87 -0.69 -0.31 0.00 0.00 175.10 175.58 1t2r s VAL 43 N -0.11 4.48 -0.20 1.32 1.01 0.93 -0.33 120.40 127.50 1t2r s VAL 43 Ca -0.04 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1t2r s VAL 43 Cb -0.14 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.68 1t2r s VAL 43 CO 0.04 -1.17 0.66 -0.47 0.00 0.00 0.00 175.10 174.16 1t2r s TYR 44 N 3.66 3.36 -0.50 5.22 5.04 0.64 -0.96 117.35 133.81 1t2r s TYR 44 Ca 0.23 0.96 -0.18 0.00 -2.44 0.00 0.00 57.07 55.64 1t2r s TYR 44 Cb -0.16 -2.84 0.07 0.00 0.35 0.00 0.00 41.96 39.38 1t2r s TYR 44 CO 0.14 -0.21 0.56 0.95 -1.34 0.00 0.00 175.55 175.64 1t2r s THR 45 N 2.06 4.99 0.44 4.34 -4.23 -0.92 -2.01 115.64 120.31 1t2r s THR 45 Ca 0.30 -0.71 -0.24 0.00 -1.18 0.00 0.00 61.69 59.85 1t2r s THR 45 Cb -0.16 -4.26 -0.08 0.00 1.34 0.00 0.00 72.50 69.35 1t2r s THR 45 CO 0.10 -0.76 1.19 -2.84 -0.54 0.00 0.00 174.62 171.77 1t2r s PRO 46 N 2.31 3.86 0.55 3.99 0.02 -1.26 -4.90 135.00 139.57 1t2r s PRO 46 Ca 0.11 1.85 -0.21 0.00 0.02 0.00 0.00 61.00 62.77 1t2r s PRO 46 Cb -0.21 -2.53 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 1t2r s PRO 46 CO 0.10 -0.49 1.13 -2.30 -0.33 0.00 0.00 177.00 175.11 1t2r n PRO 47 N -0.26 1.29 -0.19 5.54 -0.02 -1.26 -4.84 135.00 135.26 1t2r n PRO 47 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1t2r n PRO 47 Cb 0.47 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.73 1t2r n PRO 47 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1t2r h GLN 48 N 1.04 0.13 0.00 -0.52 5.75 -1.94 0.20 115.11 119.78 1t2r h GLN 48 Ca -0.49 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1t2r h GLN 48 Cb 1.34 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.86 1t2r h GLN 48 CO 0.54 0.09 0.00 0.77 -2.65 0.00 0.00 178.83 177.58 1t2r h SER 49 N 0.14 0.00 0.73 -0.69 0.02 -1.91 0.93 113.55 112.76 1t2r h SER 49 Ca 0.31 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.12 1t2r h SER 49 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1t2r h SER 49 CO -0.49 0.00 -0.63 -0.26 -1.14 0.00 0.00 176.83 174.32 1t2r h PHE 50 N 0.00 0.00 -6.33 3.45 -1.00 -1.28 -3.47 116.94 108.30 1t2r h PHE 50 Ca 0.00 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.30 1t2r h PHE 50 Cb 0.14 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.66 1t2r h PHE 50 CO 0.00 0.63 -0.80 1.04 -1.61 0.00 0.00 178.31 177.57 1t2r n GLN 51 N -3.69 -4.80 -3.93 1.51 6.02 0.32 -4.98 117.38 107.83 1t2r n GLN 51 Ca -0.01 0.55 -0.23 0.00 -0.01 0.00 0.00 57.00 57.30 1t2r n GLN 51 Cb 0.64 -5.24 -0.06 0.00 1.02 0.00 0.00 30.24 26.61 1t2r n GLN 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1t2r s SER 52 N -3.70 4.74 0.02 1.08 0.15 -1.26 -5.13 113.70 109.60 1t2r s SER 52 Ca 0.43 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1t2r s SER 52 Cb -0.22 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 1t2r s SER 52 CO 0.85 -0.50 0.11 0.00 1.20 0.00 0.00 173.24 174.89 1t2r s ALA 53 N -2.50 3.67 0.16 5.45 0.00 -1.26 -4.70 121.76 122.58 1t2r s ALA 53 Ca 0.42 -0.89 -0.34 0.00 0.00 0.00 0.00 51.96 51.15 1t2r s ALA 53 Cb -0.01 -1.60 -0.15 0.00 0.00 0.00 0.00 23.12 21.36 1t2r s ALA 53 CO 0.24 0.73 1.35 -2.30 0.00 0.00 0.00 175.76 175.78 1t2r n PRO 54 N 0.86 1.55 -3.88 0.00 -0.02 -1.26 -4.76 135.00 127.50 1t2r n PRO 54 Ca -0.11 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 1t2r n PRO 54 Cb 0.52 -2.18 -0.14 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.13 0.03 -0.04 -0.52 3.52 -0.85 -4.90 118.95 116.33 1t2r s ARG 55 Ca 0.76 0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 56.14 1t2r s ARG 55 Cb -0.80 -0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 1t2r s ARG 55 CO 0.47 -0.02 0.76 0.08 -0.81 0.00 0.00 175.30 175.77 1t2r s VAL 56 N 0.21 4.97 -0.02 7.11 1.01 -1.25 -0.26 120.40 132.16 1t2r s VAL 56 Ca -0.02 1.58 0.07 0.00 0.00 0.00 0.00 61.98 63.61 1t2r s VAL 56 Cb -0.03 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1t2r s VAL 56 CO -0.01 0.26 -0.22 -0.31 0.00 0.00 0.00 175.10 174.82 1t2r s TYR 57 N 0.69 1.96 -0.45 5.22 2.02 0.55 -4.90 117.35 122.44 1t2r s TYR 57 Ca 0.40 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.48 1t2r s TYR 57 Cb -0.19 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1t2r s TYR 57 CO 0.21 -0.05 0.83 0.50 -1.57 0.00 0.00 175.55 175.47 1t2r s ARG 58 N -0.48 3.45 -0.19 -0.62 3.00 -1.26 -0.33 118.95 122.52 1t2r s ARG 58 Ca 0.07 -0.01 -0.27 0.00 -1.00 0.00 0.00 55.73 54.53 1t2r s ARG 58 Cb -0.09 -3.93 -0.01 0.00 0.00 0.00 0.00 34.95 30.92 1t2r s ARG 58 CO -0.01 -1.15 0.91 0.08 0.00 0.00 0.00 175.30 175.13 1t2r s VAL 59 N 3.45 4.80 0.08 7.11 1.01 0.12 -4.18 120.40 132.79 1t2r s VAL 59 Ca 0.32 1.79 -0.10 0.00 0.00 0.00 0.00 61.98 64.00 1t2r s VAL 59 Cb -0.11 -4.21 -0.27 0.00 0.00 0.00 0.00 36.38 31.79 1t2r s VAL 59 CO 0.24 -0.05 1.15 0.78 0.00 0.00 0.00 175.10 177.22 1t2r h ASN 60 N 7.40 0.68 0.00 3.32 2.35 -1.23 0.16 115.58 128.26 1t2r h ASN 60 Ca -0.25 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 1t2r h ASN 60 Cb 1.11 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1t2r h ASN 60 CO 0.89 1.47 0.00 0.61 -1.65 0.00 0.00 177.43 178.74 1t2r n GLY 61 N 1.35 -0.83 3.32 2.83 0.00 -1.01 -3.82 105.19 107.03 1t2r n GLY 61 Ca -0.11 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 2.49 0.31 0.99 1.43 -1.26 -0.58 118.68 122.06 1t2r s LEU 62 Ca 0.00 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1t2r s LEU 62 Cb 0.00 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 1t2r s LEU 62 CO 0.00 -0.29 0.50 -0.44 0.23 0.00 0.00 176.35 176.35 1t2r s SER 63 N -3.28 6.32 0.00 2.29 0.01 -0.16 -4.57 113.70 114.31 1t2r s SER 63 Ca 0.22 0.42 0.27 0.00 1.31 0.00 0.00 55.95 58.17 1t2r s SER 63 Cb 0.02 -2.02 0.85 0.00 0.21 0.00 0.00 66.02 65.08 1t2r s SER 63 CO 0.05 -0.23 1.63 -1.14 0.41 0.00 0.00 173.24 173.97 1t2r n ARG 64 N -1.53 0.63 -3.95 12.44 3.00 -1.26 -4.68 116.66 121.32 1t2r n ARG 64 Ca -0.05 -0.33 -0.11 0.00 -0.00 0.00 0.00 57.85 57.36 1t2r n ARG 64 Cb 0.56 -1.49 -0.13 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 -2.59 0.11 0.87 5.13 0.00 -1.26 -5.10 121.76 118.92 1t2r s ALA 65 Ca 0.23 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 1t2r s ALA 65 Cb 0.19 0.06 0.11 0.00 0.00 0.00 0.00 23.12 23.49 1t2r s ALA 65 CO 0.54 -0.07 1.09 -2.14 0.00 0.00 0.00 175.76 175.18 1t2r s PRO 66 N -0.76 1.46 0.27 0.00 0.02 -1.26 -4.10 135.00 130.63 1t2r s PRO 66 Ca -0.08 0.88 0.19 0.00 0.02 0.00 0.00 61.00 62.02 1t2r s PRO 66 Cb -0.05 -1.83 1.00 0.00 0.02 0.00 0.00 34.50 33.64 1t2r s PRO 66 CO -0.00 -2.12 1.59 0.00 -0.33 0.00 0.00 177.00 176.13 1t2r n ALA 67 N -3.81 1.15 0.89 -1.55 0.00 -1.20 -0.81 120.51 115.18 1t2r n ALA 67 Ca 0.07 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1t2r n ALA 67 Cb 0.55 -1.29 0.26 0.00 0.00 0.00 0.00 19.45 18.97 1t2r n ALA 67 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t2r n SER 68 N -2.15 0.51 -0.14 0.00 3.41 -1.21 -1.36 113.62 112.67 1t2r n SER 68 Ca -0.01 -0.10 -0.29 0.00 -0.26 0.00 0.00 58.87 58.21 1t2r n SER 68 Cb 0.06 0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 1t2r n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1t2r n SER 69 N -1.65 1.96 -4.73 4.04 7.64 0.01 -4.95 113.62 115.94 1t2r n SER 69 Ca 0.05 0.34 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 1t2r n SER 69 Cb 0.36 -0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 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 -2.52 4.34 0.03 1.43 0.41 -1.10 -4.99 118.70 116.30 1t2r s GLU 70 Ca -0.38 2.09 0.06 0.00 -0.41 0.00 0.00 54.97 56.33 1t2r s GLU 70 Cb 0.14 -3.21 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 1t2r s GLU 70 CO 0.49 -0.37 -0.18 0.99 -0.49 0.00 0.00 175.26 175.70 1t2r s THR 71 N 0.60 1.47 0.24 3.63 2.01 -1.26 -2.94 115.64 119.39 1t2r s THR 71 Ca 0.61 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1t2r s THR 71 Cb -0.37 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1t2r s THR 71 CO 0.35 0.20 -0.03 0.72 -0.69 0.00 0.00 174.62 175.17 1t2r s PHE 72 N -0.72 1.68 -0.27 4.92 -0.12 -0.02 -4.92 117.98 118.53 1t2r s PHE 72 Ca 0.06 -0.84 -0.09 0.00 -0.05 0.00 0.00 56.93 56.01 1t2r s PHE 72 Cb -0.08 -0.96 -0.03 0.00 -0.63 0.00 0.00 43.02 41.32 1t2r s PHE 72 CO 0.01 0.08 0.12 -2.00 -0.05 0.00 0.00 175.22 173.38 1t2r s GLU 73 N -3.81 3.65 -0.20 1.99 2.12 -1.26 -0.07 118.70 121.11 1t2r s GLU 73 Ca 0.28 -0.50 -0.00 0.00 0.36 0.00 0.00 54.97 55.11 1t2r s GLU 73 Cb 0.05 -3.48 0.05 0.00 0.26 0.00 0.00 34.13 31.02 1t2r s GLU 73 CO 0.09 -0.25 -0.04 -1.58 -0.54 0.00 0.00 175.26 172.95 1t2r s HIS 74 N 1.65 1.85 -1.04 5.30 2.46 0.51 -4.77 115.29 121.25 1t2r s HIS 74 Ca 0.06 -1.32 -0.05 0.00 0.47 0.00 0.00 55.06 54.22 1t2r s HIS 74 Cb -0.16 -1.37 0.01 0.00 -0.13 0.00 0.00 32.58 30.93 1t2r s HIS 74 CO 0.06 -0.68 0.90 -0.25 -2.47 0.00 0.00 174.74 172.30 1t2r n ASP 75 N 4.83 -4.66 0.00 9.88 8.00 -1.26 -2.71 116.55 130.63 1t2r n ASP 75 Ca -0.11 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1t2r n ASP 75 Cb 0.46 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 1t2r n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t2r n GLY 76 N -1.55 2.97 3.74 0.44 0.00 -1.26 -4.98 105.19 104.54 1t2r n GLY 76 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.13 4.03 -0.17 1.61 -0.14 -1.10 -5.06 119.74 118.77 1t2r s LYS 77 Ca 0.00 -0.23 -0.26 0.00 -1.36 0.00 0.00 55.97 54.13 1t2r s LYS 77 Cb 0.00 -3.35 -0.01 0.00 -1.68 0.00 0.00 37.83 32.79 1t2r s LYS 77 CO 0.00 0.38 0.85 0.15 -0.76 0.00 0.00 175.35 175.97 1t2r s LYS 78 N 0.13 4.30 0.02 1.68 1.02 -1.26 -0.37 119.74 125.26 1t2r s LYS 78 Ca 0.08 1.05 0.02 0.00 0.02 0.00 0.00 55.97 57.14 1t2r s LYS 78 Cb -0.11 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1t2r s LYS 78 CO -0.01 -0.35 -0.07 0.54 -0.92 0.00 0.00 175.35 174.54 1t2r s VAL 79 N 2.23 0.49 0.63 3.17 0.11 0.89 -4.91 120.40 123.02 1t2r s VAL 79 Ca 0.39 -0.64 -0.09 0.00 -2.93 0.00 0.00 61.98 58.71 1t2r s VAL 79 Cb -0.16 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1t2r s VAL 79 CO 0.12 -0.12 0.99 0.42 -3.33 0.00 0.00 175.10 173.18 1t2r s THR 80 N -0.72 3.80 0.18 5.04 -4.23 -1.26 -0.84 115.64 117.61 1t2r s THR 80 Ca -0.04 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.65 1t2r s THR 80 Cb -0.06 -3.54 0.09 0.00 1.34 0.00 0.00 72.50 70.33 1t2r s THR 80 CO 0.00 -0.64 1.76 0.40 -0.54 0.00 0.00 174.62 175.61 1t2r h ILE 81 N -0.35 0.87 -0.77 2.99 5.03 -1.33 0.18 117.51 124.12 1t2r h ILE 81 Ca -0.45 -0.14 -0.02 0.00 -0.12 0.00 0.00 64.86 64.13 1t2r h ILE 81 Cb 1.24 0.43 -0.04 0.00 -3.03 0.00 0.00 36.82 35.43 1t2r h ILE 81 CO 0.62 0.07 0.42 0.00 -0.68 0.00 0.00 178.15 178.59 1t2r h ALA 82 N 1.31 0.99 0.00 1.87 0.00 -1.53 -1.90 119.26 120.00 1t2r h ALA 82 Ca 0.24 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1t2r h ALA 82 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1t2r h ALA 82 CO -0.21 0.51 -0.44 0.77 0.00 0.00 0.00 179.25 179.87 1t2r h SER 83 N 1.07 0.00 -0.26 0.00 0.02 -1.69 -0.27 113.55 112.43 1t2r h SER 83 Ca 0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1t2r h SER 83 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1t2r h SER 83 CO -0.04 0.44 0.11 0.22 -1.14 0.00 0.00 176.83 176.42 1t2r h TYR 84 N 0.00 0.39 -0.52 3.45 3.20 -0.21 0.69 116.97 123.96 1t2r h TYR 84 Ca -0.00 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 1t2r h TYR 84 Cb 0.95 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1t2r h TYR 84 CO 0.00 0.39 -0.09 0.74 -1.64 0.00 0.00 178.16 177.56 1t2r h PHE 85 N 0.27 1.06 -0.84 -3.82 -1.00 -1.18 -2.73 116.94 108.70 1t2r h PHE 85 Ca 0.09 -0.20 0.04 0.00 2.81 0.00 0.00 57.97 60.70 1t2r h PHE 85 Cb 0.16 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.41 1t2r h PHE 85 CO -0.01 0.99 0.55 1.25 -1.61 0.00 0.00 178.31 179.48 1t2r h HIS 86 N 0.86 1.00 0.00 -0.55 2.76 -0.76 0.31 115.15 118.76 1t2r h HIS 86 Ca 0.14 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1t2r h HIS 86 Cb 0.63 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1t2r h HIS 86 CO 0.04 0.57 -0.09 0.77 -1.30 0.00 0.00 177.93 177.92 1t2r h SER 87 N 1.02 0.00 -0.55 3.26 0.02 -0.55 -1.60 113.55 115.15 1t2r h SER 87 Ca 0.34 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.02 1t2r h SER 87 Cb 0.07 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.45 1t2r h SER 87 CO -0.11 0.09 0.34 0.54 -1.14 0.00 0.00 176.83 176.56 1t2r n ARG 88 N -3.53 1.83 -3.33 3.45 5.12 0.04 -4.82 116.66 115.42 1t2r n ARG 88 Ca -0.02 -1.71 -0.23 0.00 -1.93 0.00 0.00 57.85 53.96 1t2r n ARG 88 Cb 0.22 -1.69 0.06 0.00 -1.16 0.00 0.00 32.46 29.89 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 -0.37 -6.31 -3.35 0.55 4.13 -0.61 -4.34 115.26 104.96 1t2r n ASN 89 Ca 0.33 -0.42 -0.26 0.00 1.68 0.00 0.00 54.58 55.90 1t2r n ASN 89 Cb 1.14 -5.02 -0.09 0.00 -1.54 0.00 0.00 39.78 34.27 1t2r n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1t2r n TYR 90 N -4.79 -0.15 -1.99 3.10 4.19 -0.85 -4.98 117.16 111.68 1t2r n TYR 90 Ca -0.05 -3.52 -0.43 0.00 3.31 0.00 0.00 57.90 57.21 1t2r n TYR 90 Cb 0.59 -0.08 -0.03 0.00 0.49 0.00 0.00 39.34 40.31 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 -0.68 3.48 0.28 2.98 0.04 -1.26 -2.63 135.00 137.20 1t2r s PRO 91 Ca 0.34 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1t2r s PRO 91 Cb 0.09 -4.17 -0.11 0.00 0.04 0.00 0.00 34.50 30.35 1t2r s PRO 91 CO -0.15 -1.69 1.58 -0.51 0.04 0.00 0.00 177.00 176.27 1t2r s LEU 92 N 6.44 4.35 0.32 -3.56 1.43 -1.26 -4.89 118.68 121.52 1t2r s LEU 92 Ca 0.80 2.90 0.18 0.00 -1.03 0.00 0.00 54.13 56.98 1t2r s LEU 92 Cb -0.25 -3.63 0.15 0.00 0.03 0.00 0.00 46.19 42.50 1t2r s LEU 92 CO 0.33 -0.89 1.45 0.11 0.23 0.00 0.00 176.35 177.58 1t2r h LYS 93 N 5.09 0.00 -2.11 1.70 1.57 -2.01 -3.35 116.57 117.45 1t2r h LYS 93 Ca -0.46 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.75 1t2r h LYS 93 Cb 1.22 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.12 1t2r h LYS 93 CO 0.81 0.28 -0.86 1.19 -0.57 0.00 0.00 179.45 180.30 1t2r n PHE 94 N -3.13 1.88 0.26 -1.35 3.72 -1.26 -4.42 117.46 113.16 1t2r n PHE 94 Ca 0.02 -3.89 0.03 0.00 -0.05 0.00 0.00 57.45 53.57 1t2r n PHE 94 Cb 0.65 -0.46 0.16 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.79 0.01 -0.65 -1.08 -0.02 -1.26 -2.00 135.00 130.78 1t2r n PRO 95 Ca 0.26 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 62.17 1t2r n PRO 95 Cb 0.48 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.79 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 -1.48 3.86 -2.85 -0.52 6.02 -1.26 -3.35 117.38 117.80 1t2r n GLN 96 Ca 0.02 -2.57 -0.38 0.00 -0.01 0.00 0.00 57.00 54.06 1t2r n GLN 96 Cb 0.08 -1.99 -0.06 0.00 1.02 0.00 0.00 30.24 29.29 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 -2.01 4.45 -0.33 1.08 0.05 -0.85 -4.15 118.68 116.93 1t2r s LEU 97 Ca 0.45 1.77 -0.28 0.00 0.05 0.00 0.00 54.13 56.12 1t2r s LEU 97 Cb 0.32 -3.75 0.02 0.00 -2.05 0.00 0.00 46.19 40.72 1t2r s LEU 97 CO 0.17 0.04 1.03 -1.00 -0.55 0.00 0.00 176.35 176.04 1t2r s HIS 98 N -1.44 3.14 0.68 3.48 3.76 -1.26 -3.25 115.29 120.41 1t2r s HIS 98 Ca 0.45 1.10 -0.16 0.00 -0.15 0.00 0.00 55.06 56.30 1t2r s HIS 98 Cb -0.21 -3.65 0.01 0.00 1.11 0.00 0.00 32.58 29.85 1t2r s HIS 98 CO 0.25 -0.76 1.20 0.00 -0.85 0.00 0.00 174.74 174.59 1t2r s LEU 100 N -4.78 4.37 -0.62 0.00 1.02 0.74 -0.99 118.68 118.42 1t2r s LEU 100 Ca 0.75 1.45 -0.27 0.00 0.02 0.00 0.00 54.13 56.08 1t2r s LEU 100 Cb -0.29 -3.33 0.04 0.00 0.02 0.00 0.00 46.19 42.63 1t2r s LEU 100 CO 0.41 -0.15 1.15 0.21 0.02 0.00 0.00 176.35 177.99 1t2r s ASN 101 N 0.69 6.33 0.00 2.29 3.84 0.26 -0.58 114.94 127.78 1t2r s ASN 101 Ca 0.44 -0.21 0.00 0.00 0.21 0.00 0.00 52.86 53.30 1t2r s ASN 101 Cb -0.20 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 1t2r s ASN 101 CO 0.23 -1.52 0.00 1.33 -2.79 0.00 0.00 177.10 174.36 1t2r n VAL 102 N 6.45 0.00 0.00 -5.21 0.24 0.66 -0.93 118.33 119.54 1t2r n VAL 102 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1t2r n VAL 102 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 3.78 1.12 2.83 7.63 0.00 -1.26 -2.17 105.19 117.11 1t2r n GLY 103 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1t2r n GLY 103 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t2r n SER 104 N 5.16 -1.39 -0.11 1.61 2.88 0.66 -4.87 113.62 117.57 1t2r n SER 104 Ca 0.00 -2.43 -0.05 0.00 -1.33 0.00 0.00 58.87 55.06 1t2r n SER 104 Cb 0.00 2.45 0.02 0.00 -0.75 0.00 0.00 64.21 65.92 1t2r n SER 104 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1t2r h SER 105 N 1.59 -0.16 -0.04 -3.46 0.02 -2.01 -2.93 113.55 106.55 1t2r h SER 105 Ca -0.24 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1t2r h SER 105 Cb 0.97 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1t2r h SER 105 CO 0.31 -0.04 -0.15 0.16 -1.14 0.00 0.00 176.83 175.97 1t2r h ILE 106 N 0.09 1.47 -3.44 3.27 3.07 -1.99 -3.37 117.51 116.61 1t2r h ILE 106 Ca 0.18 -1.61 -0.78 0.00 1.55 0.00 0.00 64.86 64.19 1t2r h ILE 106 Cb 0.25 2.43 -0.25 0.00 -0.27 0.00 0.00 36.82 38.97 1t2r h ILE 106 CO -0.30 0.44 0.42 -0.75 -1.05 0.00 0.00 178.15 176.92 1t2r s LYS 107 N -3.65 3.90 -0.72 0.16 2.20 -1.14 -4.98 119.74 115.50 1t2r s LYS 107 Ca -0.16 -2.73 -0.21 0.00 -0.36 0.00 0.00 55.97 52.52 1t2r s LYS 107 Cb 0.02 -4.58 0.09 0.00 -1.51 0.00 0.00 37.83 31.85 1t2r s LYS 107 CO 0.73 -1.36 0.97 -1.12 -0.36 0.00 0.00 175.35 174.21 1t2r s SER 108 N 2.00 6.29 -0.07 1.43 0.01 -1.12 -0.24 113.70 122.00 1t2r s SER 108 Ca 0.27 -1.32 0.04 0.00 1.31 0.00 0.00 55.95 56.25 1t2r s SER 108 Cb -0.09 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 1t2r s SER 108 CO -0.08 -1.31 -0.18 0.27 0.41 0.00 0.00 173.24 172.35 1t2r s ILE 109 N 3.55 2.67 -0.34 1.44 -4.36 -0.92 -4.97 121.20 118.26 1t2r s ILE 109 Ca 0.23 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.66 1t2r s ILE 109 Cb -0.15 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 1t2r s ILE 109 CO 0.05 0.57 0.22 -0.76 0.24 0.00 0.00 174.94 175.26 1t2r s LEU 110 N -0.33 4.47 -0.05 0.37 1.02 -1.25 -0.24 118.68 122.66 1t2r s LEU 110 Ca 0.02 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.68 1t2r s LEU 110 Cb -0.13 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 1t2r s LEU 110 CO 0.02 -0.24 -0.02 -0.76 0.02 0.00 0.00 176.35 175.37 1t2r s LEU 111 N 1.69 3.43 -0.05 1.79 1.43 0.26 -4.77 118.68 122.46 1t2r s LEU 111 Ca 0.06 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 1t2r s LEU 111 Cb -0.17 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1t2r s LEU 111 CO 0.09 0.34 1.63 -2.84 0.23 0.00 0.00 176.35 175.81 1t2r s PRO 112 N -1.09 4.19 0.58 1.29 0.02 -1.26 -0.19 135.00 138.55 1t2r s PRO 112 Ca 0.15 2.17 0.35 0.00 0.02 0.00 0.00 61.00 63.69 1t2r s PRO 112 Cb -0.11 -3.95 1.75 0.00 0.02 0.00 0.00 34.50 32.21 1t2r s PRO 112 CO 0.05 -0.83 2.15 0.97 -0.33 0.00 0.00 177.00 179.01 1t2r h ILE 113 N 5.52 0.22 -0.73 2.83 2.10 -1.92 -2.44 117.51 123.08 1t2r h ILE 113 Ca -0.39 -0.35 0.08 0.00 1.08 0.00 0.00 64.86 65.28 1t2r h ILE 113 Cb 1.18 1.28 -0.05 0.00 -1.09 0.00 0.00 36.82 38.14 1t2r h ILE 113 CO 0.95 0.04 0.48 -0.08 -1.08 0.00 0.00 178.15 178.47 1t2r h GLU 114 N 0.00 0.70 -0.56 2.19 4.81 -1.92 -1.98 114.58 117.82 1t2r h GLU 114 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1t2r h GLU 114 Cb 0.27 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1t2r h GLU 114 CO 0.01 0.46 0.00 1.28 -0.73 0.00 0.00 179.01 180.03 1t2r n LEU 115 N -4.49 4.82 -4.58 1.64 4.77 -0.92 -4.79 117.00 113.45 1t2r n LEU 115 Ca 0.11 -2.63 -0.36 0.00 -0.03 0.00 0.00 56.01 53.10 1t2r n LEU 115 Cb 0.27 -0.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 1t2r n LEU 115 CO 0.33 0.74 -0.22 0.00 -1.33 0.00 0.00 177.39 176.91 1t2r s SER 117 N 1.18 5.85 -0.29 0.00 0.01 -0.13 -0.42 113.70 119.90 1t2r s SER 117 Ca 0.06 -0.97 -0.24 0.00 1.31 0.00 0.00 55.95 56.11 1t2r s SER 117 Cb -0.14 -2.06 -0.00 0.00 0.21 0.00 0.00 66.02 64.02 1t2r s SER 117 CO 0.05 -0.41 0.80 -0.51 0.41 0.00 0.00 173.24 173.58 1t2r s ILE 118 N 1.59 4.80 0.26 1.44 2.07 0.11 -0.05 121.20 131.43 1t2r s ILE 118 Ca 0.03 1.30 -0.29 0.00 -1.41 0.00 0.00 60.65 60.28 1t2r s ILE 118 Cb -0.19 -4.14 -0.09 0.00 0.13 0.00 0.00 42.46 38.17 1t2r s ILE 118 CO 0.08 -0.20 1.23 -1.61 -1.91 0.00 0.00 174.94 172.53 1t2r s GLU 119 N 2.93 4.47 0.16 3.50 2.02 -1.26 -0.98 118.70 129.54 1t2r s GLU 119 Ca 0.33 2.00 -0.07 0.00 0.02 0.00 0.00 54.97 57.25 1t2r s GLU 119 Cb -0.14 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 30.94 1t2r s GLU 119 CO 0.11 -0.07 1.46 0.93 0.02 0.00 0.00 175.26 177.71 1t2r h GLU 120 N 4.33 0.71 0.00 1.61 5.08 -1.77 -3.47 114.58 121.07 1t2r h GLU 120 Ca -0.46 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.45 1t2r h GLU 120 Cb 1.22 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1t2r h GLU 120 CO 0.70 1.07 0.00 0.41 -1.00 0.00 0.00 179.01 180.19 1t2r n GLY 121 N 0.30 1.13 0.24 -3.84 0.00 -1.26 -4.45 105.19 97.31 1t2r n GLY 121 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.57 -0.01 1.61 4.20 -1.97 -3.54 115.11 115.97 1t2r h GLN 122 Ca 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1t2r h GLN 122 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1t2r h GLN 122 CO 0.00 0.83 0.00 0.00 -0.67 0.00 0.00 178.83 178.99