#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 3.29 -1.54 4.61 0.00 -1.26 -4.40 121.76 122.46 1t2r s ALA 2 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 1t2r s ALA 2 Cb 0.00 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.75 1t2r s ALA 2 CO 0.00 -0.89 0.53 -1.33 0.00 0.00 0.00 175.76 174.07 1t2r n MET 3 N 4.99 -4.38 -3.75 0.00 0.00 -1.26 -4.90 117.12 107.82 1t2r n MET 3 Ca -0.14 0.86 -0.38 0.00 0.00 0.00 0.00 57.70 58.05 1t2r n MET 3 Cb 0.49 -5.68 -0.12 0.00 0.00 0.00 0.00 33.22 27.91 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 -3.13 3.08 0.10 3.04 0.00 -1.26 -0.69 121.76 122.90 1t2r s ALA 4 Ca 0.28 -1.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.12 1t2r s ALA 4 Cb -0.13 -2.32 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1t2r s ALA 4 CO 0.35 -1.46 0.57 -1.64 0.00 0.00 0.00 175.76 173.58 1t2r s MET 5 N 1.35 4.12 0.21 0.00 1.00 0.49 -4.66 119.30 121.82 1t2r s MET 5 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 55.69 56.04 1t2r s MET 5 Cb -0.21 -3.12 -0.10 0.00 0.00 0.00 0.00 34.83 31.41 1t2r s MET 5 CO 0.01 0.58 1.42 -2.14 0.00 0.00 0.00 175.02 174.89 1t2r s PRO 6 N -1.43 4.29 0.63 2.03 0.02 -1.26 0.14 135.00 139.42 1t2r s PRO 6 Ca 0.32 2.23 0.39 0.00 0.02 0.00 0.00 61.00 63.97 1t2r s PRO 6 Cb -0.18 -3.15 2.13 0.00 0.02 0.00 0.00 34.50 33.33 1t2r s PRO 6 CO 0.19 -0.41 2.29 0.52 -0.33 0.00 0.00 177.00 179.26 1t2r h MET 7 N 5.54 0.00 -0.50 5.54 2.86 -0.76 0.40 114.93 128.02 1t2r h MET 7 Ca -0.45 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.16 1t2r h MET 7 Cb 1.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1t2r h MET 7 CO 0.80 0.01 0.18 0.82 1.06 0.00 0.00 176.91 179.78 1t2r h ILE 8 N 0.00 1.22 -0.07 -1.22 1.08 -1.81 -2.75 117.51 113.96 1t2r h ILE 8 Ca -0.00 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 1t2r h ILE 8 Cb 0.07 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1t2r h ILE 8 CO 0.00 0.26 -0.30 -0.08 -0.69 0.00 0.00 178.15 177.35 1t2r h GLU 9 N 0.67 0.13 -0.51 2.37 4.81 -0.60 -1.20 114.58 120.25 1t2r h GLU 9 Ca 0.16 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1t2r h GLU 9 Cb 0.23 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1t2r h GLU 9 CO -0.01 0.43 0.31 -0.92 -0.73 0.00 0.00 179.01 178.09 1t2r h TYR 10 N 0.12 0.59 -0.42 0.92 5.03 -1.09 0.19 116.97 122.32 1t2r h TYR 10 Ca 0.02 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 1t2r h TYR 10 Cb 0.59 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1t2r h TYR 10 CO 0.01 0.35 -0.18 -0.07 -1.32 0.00 0.00 178.16 176.94 1t2r h LEU 11 N 0.63 0.81 0.28 2.82 4.07 -1.12 -1.06 115.31 121.74 1t2r h LEU 11 Ca 0.20 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1t2r h LEU 11 Cb -0.01 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.52 1t2r h LEU 11 CO -0.08 0.98 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.80 1t2r h GLU 12 N 0.71 -0.36 -0.18 1.13 5.08 -0.66 0.50 114.58 120.80 1t2r h GLU 12 Ca 0.11 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1t2r h GLU 12 Cb 0.69 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1t2r h GLU 12 CO 0.05 -0.17 -0.09 0.00 -1.00 0.00 0.00 179.01 177.80 1t2r h ARG 13 N -0.48 0.38 0.00 2.33 3.08 -0.58 -0.24 114.38 118.88 1t2r h ARG 13 Ca -0.04 -0.17 -0.21 0.00 0.07 0.00 0.00 59.98 59.63 1t2r h ARG 13 Cb 0.36 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1t2r h ARG 13 CO 0.06 0.69 -1.77 1.19 -1.07 0.00 0.00 179.97 179.07 1t2r n PHE 14 N -4.58 0.00 -0.11 3.04 3.72 -0.41 -4.44 117.46 114.67 1t2r n PHE 14 Ca -0.05 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.13 1t2r n PHE 14 Cb 0.32 -0.56 -0.08 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.42 1.91 -0.01 4.37 2.88 -0.11 -4.62 113.62 115.61 1t2r n SER 15 Ca -0.18 0.40 0.08 0.00 -1.33 0.00 0.00 58.87 57.83 1t2r n SER 15 Cb 0.87 -0.86 -0.14 0.00 -0.75 0.00 0.00 64.21 63.33 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 -4.38 0.00 -1.14 2.46 4.77 0.16 -4.97 117.00 113.89 1t2r n LEU 16 Ca -0.36 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.47 1t2r n LEU 16 Cb 0.70 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.75 1t2r n LEU 16 CO 0.11 0.03 -0.14 0.29 -1.33 0.00 0.00 177.39 176.35 1t2r n LYS 17 N -2.17 -1.15 -4.02 3.23 4.76 -0.13 -4.95 118.16 113.73 1t2r n LYS 17 Ca -0.05 1.01 -0.10 0.00 -2.87 0.00 0.00 58.31 56.31 1t2r n LYS 17 Cb 0.52 -5.19 -0.07 0.00 -1.84 0.00 0.00 35.03 28.44 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 -2.49 0.16 0.05 7.82 0.00 -1.03 -4.96 121.76 121.31 1t2r s ALA 18 Ca 0.00 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.61 1t2r s ALA 18 Cb 0.00 1.02 -0.07 0.00 0.00 0.00 0.00 23.12 24.08 1t2r s ALA 18 CO 0.00 -0.70 1.43 0.21 0.00 0.00 0.00 175.76 176.70 1t2r s LYS 19 N -4.02 4.28 0.15 0.00 2.47 -1.26 -4.29 119.74 117.07 1t2r s LYS 19 Ca 0.23 2.05 -0.30 0.00 -1.56 0.00 0.00 55.97 56.39 1t2r s LYS 19 Cb 0.03 -3.46 -0.07 0.00 -1.46 0.00 0.00 37.83 32.87 1t2r s LYS 19 CO 0.05 -0.55 1.15 0.42 0.16 0.00 0.00 175.35 176.59 1t2r s ILE 20 N 1.96 3.83 0.36 5.43 -1.09 -1.26 -4.99 121.20 125.45 1t2r s ILE 20 Ca 0.65 1.49 -0.02 0.00 -2.23 0.00 0.00 60.65 60.55 1t2r s ILE 20 Cb -0.34 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1t2r s ILE 20 CO 0.29 0.22 0.51 0.54 -1.23 0.00 0.00 174.94 175.26 1t2r s ASN 21 N 0.26 1.01 0.34 3.58 2.20 -1.26 -5.05 114.94 116.03 1t2r s ASN 21 Ca 0.53 -1.53 0.18 0.00 -0.94 0.00 0.00 52.86 51.09 1t2r s ASN 21 Cb -0.30 0.70 0.45 0.00 -2.00 0.00 0.00 41.25 40.10 1t2r s ASN 21 CO 0.34 -1.36 1.62 -1.13 -2.94 0.00 0.00 177.10 173.63 1t2r h ASN 22 N 2.06 0.00 0.73 3.54 -1.24 -1.96 -3.17 115.58 115.55 1t2r h ASN 22 Ca -0.28 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.56 1t2r h ASN 22 Cb 1.24 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.27 1t2r h ASN 22 CO 0.38 0.42 -0.80 0.71 -1.29 0.00 0.00 177.43 176.86 1t2r h THR 23 N 0.00 1.55 -3.83 -3.57 1.35 -1.96 -3.44 112.91 103.00 1t2r h THR 23 Ca -0.00 -2.66 -0.49 0.00 -0.55 0.00 0.00 66.41 62.71 1t2r h THR 23 Cb 1.09 2.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.95 1t2r h THR 23 CO 0.05 0.76 0.39 0.28 -0.25 0.00 0.00 175.52 176.76 1t2r s THR 24 N -3.23 3.89 -0.55 6.82 -1.32 -1.20 -5.00 115.64 115.05 1t2r s THR 24 Ca -0.01 1.74 -0.20 0.00 -1.21 0.00 0.00 61.69 62.01 1t2r s THR 24 Cb 0.11 -4.05 0.07 0.00 -1.51 0.00 0.00 72.50 67.13 1t2r s THR 24 CO 0.80 0.29 0.72 0.20 -2.21 0.00 0.00 174.62 174.42 1t2r s ASN 25 N -1.27 6.22 0.60 8.08 0.01 -1.26 -4.80 114.94 122.52 1t2r s ASN 25 Ca 0.47 -1.00 0.30 0.00 -0.71 0.00 0.00 52.86 51.92 1t2r s ASN 25 Cb -0.25 -2.32 1.68 0.00 0.41 0.00 0.00 41.25 40.77 1t2r s ASN 25 CO 0.32 -1.05 2.06 -0.07 -1.51 0.00 0.00 177.10 176.85 1t2r h LEU 26 N 10.08 0.00 -0.94 0.60 4.07 -1.91 -1.99 115.31 125.22 1t2r h LEU 26 Ca -0.28 0.00 0.24 0.00 0.08 0.00 0.00 57.88 57.92 1t2r h LEU 26 Cb 1.09 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.70 1t2r h LEU 26 CO 1.04 0.00 0.48 -0.78 -1.08 0.00 0.00 178.44 178.10 1t2r h ASP 27 N 0.00 0.46 0.01 -0.43 1.82 -1.90 0.66 116.42 117.04 1t2r h ASP 27 Ca 0.09 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1t2r h ASP 27 Cb 0.59 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1t2r h ASP 27 CO -0.00 0.02 0.00 1.88 -1.61 0.00 0.00 179.24 179.53 1t2r h TYR 28 N 0.45 0.00 0.00 0.28 0.05 -1.79 -0.16 116.97 115.80 1t2r h TYR 28 Ca 0.61 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.26 1t2r h TYR 28 Cb 1.18 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1t2r h TYR 28 CO -0.08 0.00 -1.44 0.43 -1.05 0.00 0.00 178.16 176.02 1t2r n SER 29 N -2.80 2.12 -0.30 3.88 7.64 -0.37 -4.81 113.62 118.98 1t2r n SER 29 Ca -0.02 0.02 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1t2r n SER 29 Cb 0.06 -0.17 0.32 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.13 0.79 0.00 1.43 9.65 0.76 0.11 114.38 127.00 1t2r h ARG 30 Ca -0.18 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.63 1t2r h ARG 30 Cb 1.22 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1t2r h ARG 30 CO -0.07 0.53 -0.09 -0.09 2.80 0.00 0.00 179.97 183.04 1t2r h ARG 31 N 0.82 0.00 -0.02 0.20 2.43 -1.25 -1.24 114.38 115.32 1t2r h ARG 31 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1t2r h ARG 31 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1t2r h ARG 31 CO -0.21 0.09 -0.09 1.19 -1.51 0.00 0.00 179.97 179.44 1t2r n PHE 32 N -3.78 0.00 0.63 2.20 3.72 0.33 -4.21 117.46 116.35 1t2r n PHE 32 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1t2r n PHE 32 Cb 0.20 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.87 0.64 -0.23 4.37 4.77 -0.47 -4.34 117.00 122.60 1t2r n LEU 33 Ca 0.11 0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1t2r n LEU 33 Cb 0.49 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1t2r n LEU 33 CO 0.15 0.02 0.63 -0.33 -1.33 0.00 0.00 177.39 176.54 1t2r h GLU 34 N 0.00 -0.12 0.00 3.23 5.08 -1.71 -0.79 114.58 120.26 1t2r h GLU 34 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1t2r h GLU 34 Cb 0.70 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1t2r h GLU 34 CO 0.00 -0.08 -0.03 -1.00 -1.00 0.00 0.00 179.01 176.90 1t2r h PRO 35 N -0.13 0.00 0.16 2.33 0.13 -1.90 -0.69 132.00 131.91 1t2r h PRO 35 Ca 0.26 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.14 1t2r h PRO 35 Cb 0.56 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.70 1t2r h PRO 35 CO -0.73 0.03 -1.18 0.35 -0.23 0.00 0.00 178.00 176.24 1t2r h PHE 36 N 0.00 0.61 0.00 1.56 3.57 -1.57 -3.32 116.94 117.78 1t2r h PHE 36 Ca -0.00 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1t2r h PHE 36 Cb 0.07 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1t2r h PHE 36 CO 0.00 1.46 0.00 -0.07 -2.23 0.00 0.00 178.31 177.47 1t2r h LEU 37 N -0.22 0.00 -8.38 0.59 3.38 -0.44 -3.40 115.31 106.84 1t2r h LEU 37 Ca -0.23 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.41 1t2r h LEU 37 Cb 1.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 1t2r h LEU 37 CO 0.15 0.00 0.94 -0.60 0.09 0.00 0.00 178.44 179.02 1t2r s ARG 38 N -3.68 2.36 0.00 1.13 3.52 -0.33 -1.95 118.95 119.99 1t2r s ARG 38 Ca 0.01 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 1t2r s ARG 38 Cb 0.09 -4.74 0.00 0.00 -1.56 0.00 0.00 34.95 28.75 1t2r s ARG 38 CO 0.52 -3.34 0.00 0.41 -0.81 0.00 0.00 175.30 172.08 1t2r n GLY 39 N 6.36 1.61 3.95 8.12 0.00 0.25 -4.96 105.19 120.52 1t2r n GLY 39 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 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 4.57 -0.11 -0.61 -4.36 -0.82 -4.86 121.20 112.99 1t2r s ILE 40 Ca 0.00 -0.55 0.02 0.00 -0.26 0.00 0.00 60.65 59.86 1t2r s ILE 40 Cb 0.00 -3.66 -0.01 0.00 1.25 0.00 0.00 42.46 40.04 1t2r s ILE 40 CO 0.00 -0.42 -0.19 0.54 0.24 0.00 0.00 174.94 175.11 1t2r s ASN 41 N -4.12 3.54 -0.06 4.36 4.22 -1.26 -0.29 114.94 121.33 1t2r s ASN 41 Ca 0.44 -0.45 0.06 0.00 -2.14 0.00 0.00 52.86 50.76 1t2r s ASN 41 Cb -0.10 -1.51 -0.01 0.00 1.28 0.00 0.00 41.25 40.92 1t2r s ASN 41 CO 0.36 0.16 -0.24 0.68 -2.04 0.00 0.00 177.10 176.02 1t2r s VAL 42 N 0.35 1.98 -0.60 3.54 -7.23 -0.40 -4.67 120.40 113.36 1t2r s VAL 42 Ca -0.15 -1.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 1t2r s VAL 42 Cb -0.17 -1.68 0.06 0.00 0.56 0.00 0.00 36.38 35.15 1t2r s VAL 42 CO 0.07 0.55 0.91 -0.69 -0.31 0.00 0.00 175.10 175.63 1t2r s VAL 43 N -0.05 4.42 -0.34 1.32 1.01 0.68 -0.68 120.40 126.75 1t2r s VAL 43 Ca -0.06 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 1t2r s VAL 43 Cb -0.14 -4.59 0.01 0.00 0.00 0.00 0.00 36.38 31.67 1t2r s VAL 43 CO 0.04 -1.26 0.99 -0.47 0.00 0.00 0.00 175.10 174.41 1t2r s TYR 44 N 3.82 3.13 -0.53 5.22 5.04 0.56 -1.00 117.35 133.60 1t2r s TYR 44 Ca 0.24 1.01 -0.19 0.00 -2.44 0.00 0.00 57.07 55.69 1t2r s TYR 44 Cb -0.16 -3.63 0.07 0.00 0.35 0.00 0.00 41.96 38.59 1t2r s TYR 44 CO 0.13 -0.77 0.64 0.99 -1.34 0.00 0.00 175.55 175.20 1t2r s THR 45 N 3.53 4.88 0.05 4.34 2.01 -0.96 -2.33 115.64 127.15 1t2r s THR 45 Ca 0.42 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 1t2r s THR 45 Cb -0.12 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 1t2r s THR 45 CO 0.16 -0.88 1.14 -2.84 -0.69 0.00 0.00 174.62 171.52 1t2r s PRO 46 N 2.60 4.47 0.31 4.92 0.02 -1.26 -4.84 135.00 141.22 1t2r s PRO 46 Ca 0.14 1.68 -0.27 0.00 0.02 0.00 0.00 61.00 62.57 1t2r s PRO 46 Cb -0.21 -3.37 -0.14 0.00 0.02 0.00 0.00 34.50 30.80 1t2r s PRO 46 CO 0.10 -0.19 0.87 -2.30 -0.33 0.00 0.00 177.00 175.15 1t2r n PRO 47 N 3.85 1.05 0.13 5.54 -0.02 -1.26 -4.78 135.00 139.51 1t2r n PRO 47 Ca 0.08 0.37 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 1t2r n PRO 47 Cb 0.47 -1.70 0.37 0.00 -0.02 0.00 0.00 33.50 32.63 1t2r n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t2r n GLN 48 N 0.68 0.09 0.00 -0.52 -0.00 -1.26 0.03 117.38 116.40 1t2r n GLN 48 Ca 0.11 0.56 0.14 0.00 -0.00 0.00 0.00 57.00 57.81 1t2r n GLN 48 Cb 0.33 -1.94 0.67 0.00 -0.00 0.00 0.00 30.24 29.30 1t2r n GLN 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1t2r n SER 49 N -1.99 0.00 -0.10 2.61 2.88 -1.26 -2.98 113.62 112.78 1t2r n SER 49 Ca -0.01 0.12 0.11 0.00 -1.33 0.00 0.00 58.87 57.76 1t2r n SER 49 Cb 0.17 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1t2r n SER 49 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1t2r n PHE 50 N -1.37 0.00 -2.70 0.66 3.01 0.10 -4.97 117.46 112.20 1t2r n PHE 50 Ca 0.11 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.38 1t2r n PHE 50 Cb 0.27 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1t2r n PHE 50 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1t2r n GLN 51 N -1.19 -2.84 -4.35 -1.08 6.02 -1.16 -4.95 117.38 107.82 1t2r n GLN 51 Ca 0.06 0.76 -0.26 0.00 -0.01 0.00 0.00 57.00 57.55 1t2r n GLN 51 Cb 0.36 -5.45 -0.09 0.00 1.02 0.00 0.00 30.24 26.08 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 -2.29 4.17 0.19 1.08 0.01 -1.26 -5.15 113.70 110.45 1t2r s SER 52 Ca 0.13 -1.15 0.09 0.00 1.31 0.00 0.00 55.95 56.32 1t2r s SER 52 Cb -0.06 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1t2r s SER 52 CO 0.16 -0.43 -0.06 0.00 0.41 0.00 0.00 173.24 173.32 1t2r s ALA 53 N -2.61 3.04 0.19 1.44 0.00 -1.26 -4.74 121.76 117.82 1t2r s ALA 53 Ca 0.37 -1.47 -0.33 0.00 0.00 0.00 0.00 51.96 50.53 1t2r s ALA 53 Cb 0.05 -0.81 -0.14 0.00 0.00 0.00 0.00 23.12 22.22 1t2r s ALA 53 CO 0.20 0.44 1.54 -2.30 0.00 0.00 0.00 175.76 175.64 1t2r n PRO 54 N -0.13 2.15 -3.94 0.00 -0.02 -1.26 -4.71 135.00 127.09 1t2r n PRO 54 Ca -0.10 0.77 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1t2r n PRO 54 Cb 0.56 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.50 0.17 0.03 -0.52 1.70 -0.98 -4.90 118.95 114.95 1t2r s ARG 55 Ca 0.75 -0.27 -0.22 0.00 -0.47 0.00 0.00 55.73 55.52 1t2r s ARG 55 Cb -0.66 -0.00 -0.06 0.00 -0.57 0.00 0.00 34.95 33.66 1t2r s ARG 55 CO 0.41 -0.01 0.66 0.08 -1.08 0.00 0.00 175.30 175.37 1t2r s VAL 56 N -0.60 4.79 0.06 4.99 1.01 -1.25 -0.32 120.40 129.08 1t2r s VAL 56 Ca -0.06 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.38 1t2r s VAL 56 Cb -0.04 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1t2r s VAL 56 CO -0.00 0.42 -0.16 -0.31 0.00 0.00 0.00 175.10 175.05 1t2r s TYR 57 N -0.32 1.39 -0.26 5.22 2.02 0.14 -4.92 117.35 120.61 1t2r s TYR 57 Ca 0.34 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.42 1t2r s TYR 57 Cb -0.19 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.55 1t2r s TYR 57 CO 0.20 0.08 0.70 0.50 -1.57 0.00 0.00 175.55 175.46 1t2r s ARG 58 N -1.46 4.09 -0.16 -0.62 6.06 -1.26 -1.28 118.95 124.32 1t2r s ARG 58 Ca 0.02 0.63 -0.14 0.00 -2.50 0.00 0.00 55.73 53.74 1t2r s ARG 58 Cb -0.09 -3.66 -0.05 0.00 0.06 0.00 0.00 34.95 31.21 1t2r s ARG 58 CO 0.02 -0.49 0.30 0.08 -2.50 0.00 0.00 175.30 172.72 1t2r s VAL 59 N 2.65 5.30 -0.04 7.11 1.01 0.61 -3.62 120.40 133.41 1t2r s VAL 59 Ca 0.29 0.56 0.19 0.00 0.00 0.00 0.00 61.98 63.03 1t2r s VAL 59 Cb -0.15 -3.64 -0.30 0.00 0.00 0.00 0.00 36.38 32.29 1t2r s VAL 59 CO 0.09 0.37 0.43 0.59 0.00 0.00 0.00 175.10 176.59 1t2r n ASN 60 N 3.67 0.57 0.00 3.32 3.02 0.14 0.85 115.26 126.83 1t2r n ASN 60 Ca -0.11 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1t2r n ASN 60 Cb 0.52 1.87 0.00 0.00 -0.61 0.00 0.00 39.78 41.56 1t2r n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t2r n GLY 61 N 1.40 -0.80 3.17 7.41 0.00 -0.99 -4.04 105.19 111.34 1t2r n GLY 61 Ca -0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 1.79 0.94 0.99 1.43 -1.26 -0.63 118.68 121.93 1t2r s LEU 62 Ca 0.00 -1.06 -0.14 0.00 -1.03 0.00 0.00 54.13 51.89 1t2r s LEU 62 Cb 0.00 0.47 0.16 0.00 0.03 0.00 0.00 46.19 46.85 1t2r s LEU 62 CO 0.00 -0.72 1.22 -0.94 0.23 0.00 0.00 176.35 176.13 1t2r s SER 63 N -2.99 3.33 -0.01 2.29 1.04 0.55 -4.56 113.70 113.35 1t2r s SER 63 Ca 0.18 0.61 0.20 0.00 0.48 0.00 0.00 55.95 57.41 1t2r s SER 63 Cb 0.07 -0.91 -0.25 0.00 0.10 0.00 0.00 66.02 65.02 1t2r s SER 63 CO -0.02 -2.63 0.70 -1.14 0.98 0.00 0.00 173.24 171.13 1t2r n ARG 64 N -3.76 0.50 -4.09 4.02 0.00 -1.26 -4.75 116.66 107.32 1t2r n ARG 64 Ca 0.11 -0.07 -0.08 0.00 -0.00 0.00 0.00 57.85 57.81 1t2r n ARG 64 Cb 0.60 -1.46 -0.10 0.00 0.00 0.00 0.00 32.46 31.50 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 -3.08 0.55 0.94 5.13 0.00 -1.26 -5.11 121.76 118.92 1t2r s ALA 65 Ca 0.02 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 1t2r s ALA 65 Cb 0.14 0.22 0.14 0.00 0.00 0.00 0.00 23.12 23.62 1t2r s ALA 65 CO 0.83 -0.29 1.06 -2.30 0.00 0.00 0.00 175.76 175.06 1t2r n PRO 66 N 0.38 -0.54 0.29 0.00 -0.02 -1.26 -4.09 135.00 129.76 1t2r n PRO 66 Ca -0.16 -0.09 0.19 0.00 -2.02 0.00 0.00 63.50 61.42 1t2r n PRO 66 Cb 0.60 -2.31 0.95 0.00 -0.02 0.00 0.00 33.50 32.72 1t2r n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t2r h ALA 67 N -1.91 1.00 0.00 3.55 0.00 -0.82 0.11 119.26 121.20 1t2r h ALA 67 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1t2r h ALA 67 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1t2r h ALA 67 CO 0.41 0.00 -0.45 0.45 0.00 0.00 0.00 179.25 179.66 1t2r n SER 68 N -2.94 0.47 -0.10 0.00 2.88 -1.08 -2.65 113.62 110.20 1t2r n SER 68 Ca -0.01 -0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.29 1t2r n SER 68 Cb 0.14 0.12 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.62 2.13 -4.73 -3.46 2.88 0.30 -4.92 113.62 104.20 1t2r n SER 69 Ca 0.05 0.02 -0.41 0.00 -1.33 0.00 0.00 58.87 57.20 1t2r n SER 69 Cb 0.36 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.36 1t2r n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1t2r s GLU 70 N -2.39 4.65 0.12 -1.46 2.02 -0.61 -5.00 118.70 116.04 1t2r s GLU 70 Ca -0.27 1.52 0.09 0.00 0.02 0.00 0.00 54.97 56.33 1t2r s GLU 70 Cb 0.08 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1t2r s GLU 70 CO 0.42 0.14 -0.23 0.95 0.02 0.00 0.00 175.26 176.56 1t2r s THR 71 N 0.11 1.94 0.08 3.63 -4.23 -1.26 -2.87 115.64 113.05 1t2r s THR 71 Ca 0.49 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1t2r s THR 71 Cb -0.25 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1t2r s THR 71 CO 0.31 -0.04 -0.17 0.72 -0.54 0.00 0.00 174.62 174.90 1t2r s PHE 72 N -1.24 2.57 -0.40 3.99 -0.71 0.83 -4.92 117.98 118.11 1t2r s PHE 72 Ca 0.11 -0.24 -0.14 0.00 -1.04 0.00 0.00 56.93 55.61 1t2r s PHE 72 Cb -0.09 -1.41 0.02 0.00 -1.21 0.00 0.00 43.02 40.33 1t2r s PHE 72 CO 0.05 0.34 0.28 -2.00 -1.34 0.00 0.00 175.22 172.55 1t2r s GLU 73 N -1.86 2.94 -0.20 1.99 2.12 -1.26 -1.97 118.70 120.45 1t2r s GLU 73 Ca 0.17 -1.04 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 1t2r s GLU 73 Cb -0.11 -3.93 -0.00 0.00 0.26 0.00 0.00 34.13 30.35 1t2r s GLU 73 CO 0.09 -0.74 -0.09 -1.58 -0.54 0.00 0.00 175.26 172.40 1t2r s HIS 74 N 1.65 2.91 -1.53 5.30 5.65 -0.03 -4.56 115.29 124.68 1t2r s HIS 74 Ca 0.04 -1.06 -0.04 0.00 0.25 0.00 0.00 55.06 54.25 1t2r s HIS 74 Cb -0.19 -2.04 0.01 0.00 -1.18 0.00 0.00 32.58 29.18 1t2r s HIS 74 CO 0.09 -0.57 0.38 -0.25 -0.65 0.00 0.00 174.74 173.74 1t2r n ASP 75 N 4.64 -5.52 0.00 9.88 9.92 -1.26 -1.24 116.55 132.97 1t2r n ASP 75 Ca -0.19 -0.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1t2r n ASP 75 Cb 0.51 -4.52 0.00 0.00 -0.64 0.00 0.00 41.12 36.47 1t2r n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t2r n GLY 76 N -1.28 0.67 3.60 0.44 0.00 -1.26 -5.02 105.19 102.35 1t2r n GLY 76 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.02 3.10 -0.53 1.61 -0.14 -0.37 -5.07 119.74 118.32 1t2r s LYS 77 Ca 0.00 -0.48 -0.20 0.00 -1.36 0.00 0.00 55.97 53.92 1t2r s LYS 77 Cb 0.00 -2.77 0.06 0.00 -1.68 0.00 0.00 37.83 33.44 1t2r s LYS 77 CO 0.00 0.56 0.71 0.15 -0.76 0.00 0.00 175.35 176.02 1t2r s LYS 78 N -0.51 3.17 0.05 1.68 1.02 -1.26 -0.85 119.74 123.03 1t2r s LYS 78 Ca 0.08 -0.76 0.08 0.00 0.02 0.00 0.00 55.97 55.39 1t2r s LYS 78 Cb -0.12 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.06 1t2r s LYS 78 CO 0.02 -1.32 -0.20 0.14 -0.92 0.00 0.00 175.35 173.07 1t2r s VAL 79 N 2.99 2.64 0.76 3.17 -7.23 -0.83 -4.94 120.40 116.95 1t2r s VAL 79 Ca 0.19 -1.25 -0.09 0.00 -1.81 0.00 0.00 61.98 59.01 1t2r s VAL 79 Cb -0.18 -2.10 0.08 0.00 0.56 0.00 0.00 36.38 34.75 1t2r s VAL 79 CO 0.13 0.33 1.09 0.42 -0.31 0.00 0.00 175.10 176.77 1t2r s THR 80 N -0.91 2.16 0.21 5.32 -4.23 -1.26 -0.12 115.64 116.81 1t2r s THR 80 Ca 0.14 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.38 1t2r s THR 80 Cb -0.10 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.90 1t2r s THR 80 CO 0.05 0.00 1.82 0.40 -0.54 0.00 0.00 174.62 176.35 1t2r h ILE 81 N -0.83 1.01 -0.48 2.99 1.08 -1.36 -1.56 117.51 118.35 1t2r h ILE 81 Ca -0.45 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1t2r h ILE 81 Cb 1.31 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1t2r h ILE 81 CO 0.59 0.14 0.19 0.00 -0.69 0.00 0.00 178.15 178.38 1t2r h ALA 82 N 1.34 1.43 -0.56 1.87 0.00 -1.82 -2.21 119.26 119.31 1t2r h ALA 82 Ca 0.30 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1t2r h ALA 82 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1t2r h ALA 82 CO -0.16 0.43 0.14 0.77 0.00 0.00 0.00 179.25 180.43 1t2r h SER 83 N 0.68 0.81 -0.13 0.00 0.02 -1.59 0.13 113.55 113.47 1t2r h SER 83 Ca 0.17 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1t2r h SER 83 Cb 0.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1t2r h SER 83 CO -0.02 0.79 0.04 0.22 -1.14 0.00 0.00 176.83 176.73 1t2r h TYR 84 N 0.83 0.21 -0.35 3.45 3.20 -0.86 -1.43 116.97 122.01 1t2r h TYR 84 Ca 0.18 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 1t2r h TYR 84 Cb 0.30 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1t2r h TYR 84 CO 0.02 0.32 -0.19 0.74 -1.64 0.00 0.00 178.16 177.41 1t2r h PHE 85 N 0.03 0.74 -0.71 -3.82 -1.00 -1.31 -2.28 116.94 108.59 1t2r h PHE 85 Ca 0.04 -0.15 0.08 0.00 2.81 0.00 0.00 57.97 60.75 1t2r h PHE 85 Cb 0.21 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 1t2r h PHE 85 CO -0.00 0.80 0.47 1.25 -1.61 0.00 0.00 178.31 179.21 1t2r h HIS 86 N 0.59 0.70 0.00 -0.55 2.76 -0.42 0.14 115.15 118.36 1t2r h HIS 86 Ca 0.09 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1t2r h HIS 86 Cb 0.65 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1t2r h HIS 86 CO 0.03 0.36 -0.12 1.03 -1.30 0.00 0.00 177.93 177.93 1t2r h SER 87 N 0.68 0.00 -0.28 3.26 0.87 -0.66 -0.59 113.55 116.83 1t2r h SER 87 Ca 0.32 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1t2r h SER 87 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1t2r h SER 87 CO -0.11 0.12 0.03 0.54 -0.53 0.00 0.00 176.83 176.88 1t2r n ARG 88 N -3.72 2.62 -2.66 2.24 5.12 0.38 -4.83 116.66 115.81 1t2r n ARG 88 Ca -0.02 -1.41 -0.21 0.00 -1.93 0.00 0.00 57.85 54.28 1t2r n ARG 88 Cb 0.23 -1.81 0.01 0.00 -1.16 0.00 0.00 32.46 29.73 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 0.22 -5.92 -3.74 0.55 3.02 -0.23 -4.82 115.26 104.34 1t2r n ASN 89 Ca 0.14 -0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.27 1t2r n ASN 89 Cb 0.72 -4.84 -0.13 0.00 -0.61 0.00 0.00 39.78 34.92 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 -3.09 2.32 -0.33 3.10 6.14 -0.60 -4.99 117.35 119.90 1t2r s TYR 90 Ca 0.13 -2.67 -0.29 0.00 0.64 0.00 0.00 57.07 54.88 1t2r s TYR 90 Cb -0.06 -2.04 -0.00 0.00 0.42 0.00 0.00 41.96 40.28 1t2r s TYR 90 CO 0.16 -0.74 1.45 -1.25 0.64 0.00 0.00 175.55 175.82 1t2r s PRO 91 N -0.09 3.71 0.29 4.97 0.04 -1.26 -2.50 135.00 140.16 1t2r s PRO 91 Ca 0.21 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1t2r s PRO 91 Cb -0.18 -3.99 -0.12 0.00 0.04 0.00 0.00 34.50 30.25 1t2r s PRO 91 CO -0.05 -1.39 1.44 1.28 0.04 0.00 0.00 177.00 178.32 1t2r n LEU 92 N 8.47 3.71 0.16 -3.56 4.77 -1.26 -4.89 117.00 124.41 1t2r n LEU 92 Ca 0.17 1.17 0.12 0.00 -0.03 0.00 0.00 56.01 57.44 1t2r n LEU 92 Cb 0.47 -1.51 0.13 0.00 -2.33 0.00 0.00 43.42 40.18 1t2r n LEU 92 CO 0.67 -0.26 0.52 0.11 -1.33 0.00 0.00 177.39 177.10 1t2r h LYS 93 N 3.82 0.00 -2.10 3.23 1.57 -2.01 -3.35 116.57 117.74 1t2r h LYS 93 Ca -0.46 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 1t2r h LYS 93 Cb 1.26 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 1t2r h LYS 93 CO 0.72 0.00 -0.87 1.19 -0.57 0.00 0.00 179.45 179.92 1t2r n PHE 94 N -2.83 1.61 0.23 -1.35 3.72 -1.26 -4.42 117.46 113.15 1t2r n PHE 94 Ca 0.03 -3.85 0.11 0.00 -0.05 0.00 0.00 57.45 53.68 1t2r n PHE 94 Cb 0.52 -0.45 0.53 0.00 -0.94 0.00 0.00 39.48 39.14 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 1.01 0.15 0.00 -1.08 -0.02 -1.26 -1.56 135.00 132.24 1t2r n PRO 95 Ca 0.26 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.45 1t2r n PRO 95 Cb 0.48 -1.91 0.83 0.00 -0.02 0.00 0.00 33.50 32.88 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 -2.21 0.64 -2.37 -0.52 -0.06 -1.26 -2.63 117.38 108.98 1t2r n GLN 96 Ca -0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.62 1t2r n GLN 96 Cb 0.09 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.74 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 -2.36 4.22 0.03 1.69 0.05 -0.60 -4.48 118.68 117.23 1t2r s LEU 97 Ca 0.36 2.27 -0.27 0.00 0.05 0.00 0.00 54.13 56.54 1t2r s LEU 97 Cb 0.21 -4.02 -0.05 0.00 -2.05 0.00 0.00 46.19 40.29 1t2r s LEU 97 CO 0.43 -0.58 0.84 -1.00 -0.55 0.00 0.00 176.35 175.49 1t2r s HIS 98 N -1.44 3.70 0.68 3.48 3.76 -1.26 -0.62 115.29 123.59 1t2r s HIS 98 Ca 0.56 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.89 1t2r s HIS 98 Cb -0.29 -2.93 0.01 0.00 1.11 0.00 0.00 32.58 30.47 1t2r s HIS 98 CO 0.36 0.16 1.07 0.00 -0.85 0.00 0.00 174.74 175.48 1t2r s LEU 100 N -5.29 4.16 -0.71 0.00 2.96 0.14 -0.33 118.68 119.61 1t2r s LEU 100 Ca 0.61 0.31 -0.27 0.00 -0.22 0.00 0.00 54.13 54.56 1t2r s LEU 100 Cb -0.16 -2.64 0.02 0.00 0.50 0.00 0.00 46.19 43.91 1t2r s LEU 100 CO 0.49 -0.37 1.45 0.21 -1.32 0.00 0.00 176.35 176.82 1t2r s ASN 101 N 1.64 5.91 0.00 3.68 3.84 0.20 -0.12 114.94 130.08 1t2r s ASN 101 Ca 0.20 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 53.03 1t2r s ASN 101 Cb -0.15 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1t2r s ASN 101 CO 0.11 -1.99 0.00 1.33 -2.79 0.00 0.00 177.10 173.76 1t2r n VAL 102 N 6.64 0.00 0.00 -5.21 0.24 0.34 -0.69 118.33 119.65 1t2r n VAL 102 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1t2r n VAL 102 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 4.12 1.36 3.12 7.63 0.00 -1.24 -2.60 105.19 117.58 1t2r n GLY 103 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1t2r n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t2r n SER 104 N 3.42 -1.56 -0.25 1.61 7.64 0.41 -4.72 113.62 120.17 1t2r n SER 104 Ca 0.00 -2.55 -0.00 0.00 1.01 0.00 0.00 58.87 57.32 1t2r n SER 104 Cb 0.00 2.74 0.21 0.00 -1.01 0.00 0.00 64.21 66.14 1t2r n SER 104 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t2r h SER 105 N 1.74 0.94 0.03 6.43 0.02 -2.01 -2.88 113.55 117.81 1t2r h SER 105 Ca -0.26 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.48 1t2r h SER 105 Cb 1.07 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1t2r h SER 105 CO 0.35 0.69 -0.67 0.16 -1.14 0.00 0.00 176.83 176.22 1t2r h ILE 106 N 1.09 1.43 -3.39 3.27 3.07 -1.99 -3.38 117.51 117.61 1t2r h ILE 106 Ca 0.29 -2.18 -0.78 0.00 1.55 0.00 0.00 64.86 63.75 1t2r h ILE 106 Cb -0.09 2.70 -0.25 0.00 -0.27 0.00 0.00 36.82 38.91 1t2r h ILE 106 CO -0.06 0.63 0.44 -0.75 -1.05 0.00 0.00 178.15 177.36 1t2r s LYS 107 N -3.07 3.86 -1.03 0.16 2.47 -1.09 -4.97 119.74 116.07 1t2r s LYS 107 Ca -0.13 -2.65 -0.22 0.00 -1.56 0.00 0.00 55.97 51.42 1t2r s LYS 107 Cb 0.03 -4.60 0.07 0.00 -1.46 0.00 0.00 37.83 31.87 1t2r s LYS 107 CO 0.83 -1.38 1.42 -1.12 0.16 0.00 0.00 175.35 175.26 1t2r s SER 108 N 2.12 6.56 -0.13 1.43 0.01 -1.19 -0.44 113.70 122.06 1t2r s SER 108 Ca 0.27 -1.67 0.01 0.00 1.31 0.00 0.00 55.95 55.87 1t2r s SER 108 Cb -0.09 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1t2r s SER 108 CO -0.08 -1.39 -0.15 0.27 0.41 0.00 0.00 173.24 172.30 1t2r s ILE 109 N 4.46 2.81 -0.31 1.44 -4.36 -1.07 -5.01 121.20 119.16 1t2r s ILE 109 Ca 0.44 -0.74 -0.09 0.00 -0.26 0.00 0.00 60.65 60.00 1t2r s ILE 109 Cb -0.01 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.53 1t2r s ILE 109 CO -0.08 0.53 0.15 -0.76 0.24 0.00 0.00 174.94 175.01 1t2r s LEU 110 N 0.46 4.09 -0.10 0.37 2.01 -1.25 -0.51 118.68 123.75 1t2r s LEU 110 Ca -0.11 -0.53 -0.03 0.00 0.01 0.00 0.00 54.13 53.48 1t2r s LEU 110 Cb -0.16 -2.00 -0.03 0.00 0.01 0.00 0.00 46.19 44.01 1t2r s LEU 110 CO 0.05 -0.19 0.00 -0.76 1.01 0.00 0.00 176.35 176.46 1t2r s LEU 111 N 1.61 3.57 -0.15 1.79 1.43 0.82 -4.64 118.68 123.12 1t2r s LEU 111 Ca 0.04 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 1t2r s LEU 111 Cb -0.17 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 1t2r s LEU 111 CO 0.06 0.34 2.12 -0.81 0.23 0.00 0.00 176.35 178.28 1t2r n PRO 112 N 2.43 2.13 0.27 1.29 -0.04 -1.26 0.27 135.00 140.09 1t2r n PRO 112 Ca -0.18 0.68 0.18 0.00 -0.04 0.00 0.00 63.50 64.13 1t2r n PRO 112 Cb 0.53 -3.02 0.91 0.00 -0.04 0.00 0.00 33.50 31.88 1t2r n PRO 112 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1t2r h ILE 113 N 6.54 0.19 -0.83 0.52 2.10 -1.93 0.05 117.51 124.15 1t2r h ILE 113 Ca -0.43 0.00 0.07 0.00 1.08 0.00 0.00 64.86 65.59 1t2r h ILE 113 Cb 1.25 0.80 -0.05 0.00 -1.09 0.00 0.00 36.82 37.73 1t2r h ILE 113 CO 0.96 0.00 0.54 -0.08 -1.08 0.00 0.00 178.15 178.49 1t2r h GLU 114 N 0.00 0.84 -0.61 2.19 4.81 -1.93 -2.48 114.58 117.40 1t2r h GLU 114 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1t2r h GLU 114 Cb 0.50 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1t2r h GLU 114 CO -0.00 0.56 0.00 1.28 -0.73 0.00 0.00 179.01 180.12 1t2r n LEU 115 N -4.49 3.74 -4.74 1.64 4.77 -0.00 -4.70 117.00 113.22 1t2r n LEU 115 Ca 0.13 -1.87 -0.36 0.00 -0.03 0.00 0.00 56.01 53.88 1t2r n LEU 115 Cb 0.25 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1t2r n LEU 115 CO 0.33 0.90 -0.09 0.00 -1.33 0.00 0.00 177.39 177.20 1t2r s SER 117 N 0.34 4.95 -0.21 0.00 0.15 -0.17 -0.26 113.70 118.50 1t2r s SER 117 Ca 0.13 -0.26 -0.10 0.00 0.70 0.00 0.00 55.95 56.41 1t2r s SER 117 Cb -0.12 -1.88 -0.05 0.00 -1.71 0.00 0.00 66.02 62.26 1t2r s SER 117 CO 0.01 -0.04 0.13 -0.51 1.20 0.00 0.00 173.24 174.03 1t2r s ILE 118 N 1.58 5.28 -0.10 6.45 2.07 0.12 -0.23 121.20 136.37 1t2r s ILE 118 Ca 0.06 0.15 -0.25 0.00 -1.41 0.00 0.00 60.65 59.20 1t2r s ILE 118 Cb -0.15 -3.42 -0.03 0.00 0.13 0.00 0.00 42.46 38.99 1t2r s ILE 118 CO 0.02 0.41 0.79 -1.83 -1.91 0.00 0.00 174.94 172.43 1t2r s GLU 119 N 0.61 4.40 0.21 3.50 -1.05 -1.26 -0.38 118.70 124.73 1t2r s GLU 119 Ca 0.07 1.01 0.26 0.00 -0.15 0.00 0.00 54.97 56.16 1t2r s GLU 119 Cb -0.12 -3.50 0.83 0.00 -0.44 0.00 0.00 34.13 30.89 1t2r s GLU 119 CO 0.01 -0.12 1.77 -0.85 0.95 0.00 0.00 175.26 177.02 1t2r n GLU 120 N 4.40 0.26 -1.09 -4.83 0.28 0.13 -3.93 120.64 115.85 1t2r n GLU 120 Ca 0.02 0.23 -0.15 0.00 -0.16 0.00 0.00 57.16 57.10 1t2r n GLU 120 Cb 0.50 -1.81 -0.14 0.00 1.43 0.00 0.00 31.44 31.42 1t2r n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1t2r n GLY 121 N 1.21 3.28 0.15 -1.84 0.00 -1.24 -4.41 105.19 102.34 1t2r n GLY 121 Ca 0.05 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 2.94 -0.27 0.00 1.61 1.08 -1.94 -3.53 115.11 115.01 1t2r h GLN 122 Ca 0.23 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1t2r h GLN 122 Cb 1.33 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 1t2r h GLN 122 CO 0.36 0.13 0.00 0.00 -0.95 0.00 0.00 178.83 178.37