#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 -0.93 -1.56 4.61 0.00 -1.26 -5.06 121.76 117.56 1t2r s ALA 2 Ca 0.00 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 1t2r s ALA 2 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1t2r s ALA 2 CO 0.00 -0.20 2.80 -1.33 0.00 0.00 0.00 175.76 177.04 1t2r n MET 3 N 2.58 3.80 -2.61 0.00 0.00 -1.26 -4.88 117.12 114.75 1t2r n MET 3 Ca -0.15 -2.46 -0.42 0.00 0.00 0.00 0.00 57.70 54.68 1t2r n MET 3 Cb 0.57 -2.81 -0.03 0.00 0.00 0.00 0.00 33.22 30.95 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 1.66 2.88 -0.14 3.04 0.00 -1.26 -1.74 121.76 126.20 1t2r s ALA 4 Ca 0.65 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 1t2r s ALA 4 Cb 0.18 -4.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 1t2r s ALA 4 CO -0.07 -3.01 0.10 -1.64 0.00 0.00 0.00 175.76 171.14 1t2r s MET 5 N 5.24 3.63 0.24 0.00 1.00 0.25 -4.88 119.30 124.77 1t2r s MET 5 Ca 0.36 -0.24 -0.31 0.00 0.00 0.00 0.00 55.69 55.49 1t2r s MET 5 Cb -0.09 -3.17 -0.12 0.00 0.00 0.00 0.00 34.83 31.45 1t2r s MET 5 CO 0.18 0.56 1.63 -2.30 0.00 0.00 0.00 175.02 175.09 1t2r n PRO 6 N 2.66 2.62 0.25 2.03 -0.02 -1.26 0.17 135.00 141.45 1t2r n PRO 6 Ca -0.18 0.94 0.10 0.00 -2.02 0.00 0.00 63.50 62.34 1t2r n PRO 6 Cb 0.54 -2.74 0.65 0.00 -0.02 0.00 0.00 33.50 31.93 1t2r n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t2r h MET 7 N 5.66 0.00 -0.29 -0.52 2.86 -1.04 0.54 114.93 122.14 1t2r h MET 7 Ca -0.45 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.10 1t2r h MET 7 Cb 1.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1t2r h MET 7 CO 0.87 0.14 -0.16 0.82 1.06 0.00 0.00 176.91 179.64 1t2r h ILE 8 N 0.00 1.30 -0.83 -1.22 1.08 -1.82 -1.85 117.51 114.17 1t2r h ILE 8 Ca -0.00 -1.27 0.06 0.00 -0.39 0.00 0.00 64.86 63.26 1t2r h ILE 8 Cb 0.33 1.49 -0.06 0.00 -3.07 0.00 0.00 36.82 35.51 1t2r h ILE 8 CO 0.02 0.40 0.51 -0.08 -0.69 0.00 0.00 178.15 178.31 1t2r h GLU 9 N 0.37 0.90 -0.65 2.37 4.57 -1.46 0.17 114.58 120.86 1t2r h GLU 9 Ca 0.06 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1t2r h GLU 9 Cb 0.69 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 1t2r h GLU 9 CO 0.05 0.60 0.37 -0.92 -1.18 0.00 0.00 179.01 177.92 1t2r h TYR 10 N 0.93 0.68 -0.20 0.92 3.20 -0.76 -1.51 116.97 120.23 1t2r h TYR 10 Ca 0.36 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.19 1t2r h TYR 10 Cb 0.17 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1t2r h TYR 10 CO -0.04 0.34 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.60 1t2r h LEU 11 N 0.69 0.48 -0.78 2.82 4.07 -0.41 -1.94 115.31 120.24 1t2r h LEU 11 Ca 0.28 -0.45 0.07 0.00 0.08 0.00 0.00 57.88 57.86 1t2r h LEU 11 Cb 0.15 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 1t2r h LEU 11 CO -0.16 0.83 0.46 -0.33 -1.08 0.00 0.00 178.44 178.16 1t2r h GLU 12 N 0.14 0.81 0.00 1.13 5.08 -0.38 0.58 114.58 121.94 1t2r h GLU 12 Ca 0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1t2r h GLU 12 Cb 0.67 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t2r h GLU 12 CO 0.04 0.54 -0.00 0.00 -1.00 0.00 0.00 179.01 178.59 1t2r h ARG 13 N 0.84 -0.00 0.00 2.33 3.08 -1.29 -2.51 114.38 116.83 1t2r h ARG 13 Ca 0.35 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.10 1t2r h ARG 13 Cb 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1t2r h ARG 13 CO -0.19 0.90 -2.12 1.19 -1.07 0.00 0.00 179.97 178.68 1t2r n PHE 14 N -4.64 0.00 -0.07 3.04 3.72 -0.73 -4.21 117.46 114.56 1t2r n PHE 14 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 1t2r n PHE 14 Cb 0.43 -0.75 -0.10 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 -0.12 0.00 0.43 4.37 0.02 -1.20 -3.38 113.55 113.66 1t2r h SER 15 Ca -0.45 -0.75 -0.30 0.00 -0.84 0.00 0.00 61.79 59.45 1t2r h SER 15 Cb 1.64 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.13 1t2r h SER 15 CO -0.11 0.95 -1.80 0.18 -1.14 0.00 0.00 176.83 174.92 1t2r n LEU 16 N -4.62 0.80 -1.55 5.07 7.99 0.19 -4.95 117.00 119.92 1t2r n LEU 16 Ca -0.10 0.36 -0.17 0.00 -0.01 0.00 0.00 56.01 56.09 1t2r n LEU 16 Cb 0.41 0.19 -0.05 0.00 -0.11 0.00 0.00 43.42 43.86 1t2r n LEU 16 CO 0.26 0.41 -0.18 0.29 -1.51 0.00 0.00 177.39 176.65 1t2r n LYS 17 N -3.02 -1.25 -3.78 3.23 4.76 -1.10 -4.95 118.16 112.05 1t2r n LYS 17 Ca -0.19 0.99 -0.10 0.00 -2.87 0.00 0.00 58.31 56.14 1t2r n LYS 17 Cb 1.06 -5.30 -0.05 0.00 -1.84 0.00 0.00 35.03 28.91 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 -2.72 -0.72 -0.00 7.82 0.00 -0.96 -5.01 121.76 120.16 1t2r s ALA 18 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 1t2r s ALA 18 Cb 0.00 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1t2r s ALA 18 CO 0.00 -0.76 0.95 0.21 0.00 0.00 0.00 175.76 176.16 1t2r s LYS 19 N -3.89 4.55 0.13 0.00 2.47 -1.26 -4.32 119.74 117.42 1t2r s LYS 19 Ca 0.11 1.37 -0.31 0.00 -1.56 0.00 0.00 55.97 55.58 1t2r s LYS 19 Cb 0.00 -3.45 -0.08 0.00 -1.46 0.00 0.00 37.83 32.84 1t2r s LYS 19 CO -0.03 -0.02 1.33 0.42 0.16 0.00 0.00 175.35 177.21 1t2r s ILE 20 N 0.93 3.41 0.28 5.43 -1.09 -1.26 -4.95 121.20 123.95 1t2r s ILE 20 Ca 0.50 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.98 1t2r s ILE 20 Cb -0.21 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1t2r s ILE 20 CO 0.27 0.11 0.30 0.21 -1.23 0.00 0.00 174.94 174.59 1t2r s ASN 21 N 0.84 0.86 0.57 3.58 2.47 -1.26 -5.02 114.94 116.98 1t2r s ASN 21 Ca 0.61 -1.50 0.35 0.00 0.42 0.00 0.00 52.86 52.74 1t2r s ASN 21 Cb -0.35 0.53 1.66 0.00 -1.45 0.00 0.00 41.25 41.63 1t2r s ASN 21 CO 0.33 -1.06 2.10 -0.55 -3.72 0.00 0.00 177.10 174.20 1t2r h ASN 22 N 2.29 0.00 1.68 -4.21 -1.07 -1.95 -2.36 115.58 109.96 1t2r h ASN 22 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.06 1t2r h ASN 22 Cb 1.24 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1t2r h ASN 22 CO 0.42 0.03 -0.32 0.71 0.07 0.00 0.00 177.43 178.34 1t2r h THR 23 N 0.00 0.12 -3.41 6.14 1.35 -1.98 -3.44 112.91 111.70 1t2r h THR 23 Ca -0.00 -1.18 -0.60 0.00 -0.55 0.00 0.00 66.41 64.07 1t2r h THR 23 Cb 0.35 1.95 -0.10 0.00 -1.73 0.00 0.00 68.15 68.62 1t2r h THR 23 CO 0.00 0.07 0.30 0.42 -0.25 0.00 0.00 175.52 176.07 1t2r s THR 24 N -3.20 4.90 -0.18 6.82 -4.23 -0.89 -5.03 115.64 113.83 1t2r s THR 24 Ca 0.05 1.28 -0.16 0.00 -1.18 0.00 0.00 61.69 61.68 1t2r s THR 24 Cb 0.06 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1t2r s THR 24 CO 0.71 -0.06 0.38 0.21 -0.54 0.00 0.00 174.62 175.32 1t2r s ASN 25 N 1.45 6.47 0.36 3.99 3.84 -1.26 -4.71 114.94 125.09 1t2r s ASN 25 Ca 0.30 0.55 0.27 0.00 0.21 0.00 0.00 52.86 54.19 1t2r s ASN 25 Cb -0.15 -2.23 1.12 0.00 -0.55 0.00 0.00 41.25 39.44 1t2r s ASN 25 CO 0.09 -0.02 1.81 -0.07 -2.79 0.00 0.00 177.10 176.12 1t2r h LEU 26 N 7.25 0.00 -1.54 3.21 -0.00 -1.91 -3.04 115.31 119.29 1t2r h LEU 26 Ca -0.38 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.61 1t2r h LEU 26 Cb 1.17 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.78 1t2r h LEU 26 CO 0.73 0.00 0.46 -0.78 -0.00 0.00 0.00 178.44 178.85 1t2r h ASP 27 N 0.00 0.46 0.51 -0.43 1.82 -1.94 0.70 116.42 117.54 1t2r h ASP 27 Ca 0.00 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1t2r h ASP 27 Cb 0.43 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.35 1t2r h ASP 27 CO 0.00 0.27 -0.04 1.88 -1.61 0.00 0.00 179.24 179.74 1t2r h TYR 28 N 0.51 0.00 0.00 0.28 -1.99 -1.95 -2.96 116.97 110.86 1t2r h TYR 28 Ca 0.32 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.99 1t2r h TYR 28 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 1t2r h TYR 28 CO -0.00 0.04 -1.22 0.43 -0.00 0.00 0.00 178.16 177.41 1t2r n SER 29 N -3.27 1.81 0.09 3.88 7.64 -0.51 -4.82 113.62 118.44 1t2r n SER 29 Ca -0.01 0.02 0.07 0.00 1.01 0.00 0.00 58.87 59.96 1t2r n SER 29 Cb 0.22 -0.09 0.53 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.08 0.28 -0.62 1.43 9.65 0.29 0.16 114.38 125.50 1t2r h ARG 30 Ca -0.09 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1t2r h ARG 30 Cb 1.11 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.59 1t2r h ARG 30 CO -0.04 0.19 0.39 -0.09 2.80 0.00 0.00 179.97 183.22 1t2r h ARG 31 N 0.29 0.82 0.00 0.20 2.43 -1.68 -2.49 114.38 113.94 1t2r h ARG 31 Ca 0.11 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1t2r h ARG 31 Cb 0.08 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1t2r h ARG 31 CO -0.02 0.56 -0.82 1.19 -1.51 0.00 0.00 179.97 179.36 1t2r n PHE 32 N -4.43 0.19 1.23 2.20 3.72 -0.01 -3.84 117.46 116.52 1t2r n PHE 32 Ca 0.06 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.65 1t2r n PHE 32 Cb 0.05 -0.36 0.42 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.79 0.75 -0.24 4.37 4.77 -0.88 -4.38 117.00 119.60 1t2r n LEU 33 Ca 0.03 -0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 1t2r n LEU 33 Cb 0.39 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1t2r n LEU 33 CO 0.39 0.15 0.66 -0.33 -1.33 0.00 0.00 177.39 176.92 1t2r h GLU 34 N 0.77 -0.08 0.00 3.23 5.08 -1.64 0.84 114.58 122.78 1t2r h GLU 34 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1t2r h GLU 34 Cb 0.47 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t2r h GLU 34 CO 0.00 -0.05 -0.00 -1.00 -1.00 0.00 0.00 179.01 176.96 1t2r h PRO 35 N -0.08 0.00 0.11 2.33 0.13 -1.90 0.15 132.00 132.73 1t2r h PRO 35 Ca 0.29 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.24 1t2r h PRO 35 Cb 0.55 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.69 1t2r h PRO 35 CO -0.74 0.00 -0.87 0.35 -0.23 0.00 0.00 178.00 176.51 1t2r h PHE 36 N 0.00 0.41 0.00 1.56 3.57 -1.17 -3.32 116.94 117.99 1t2r h PHE 36 Ca -0.00 -0.30 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 1t2r h PHE 36 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1t2r h PHE 36 CO 0.00 1.34 -0.33 -0.07 -2.23 0.00 0.00 178.31 177.02 1t2r h LEU 37 N -0.48 0.00 -8.51 0.59 -0.00 -0.56 -3.41 115.31 102.94 1t2r h LEU 37 Ca -0.17 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.24 1t2r h LEU 37 Cb 1.56 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.20 1t2r h LEU 37 CO 0.09 0.33 1.38 -0.60 -0.00 0.00 0.00 178.44 179.63 1t2r s ARG 38 N -4.13 2.43 0.00 1.13 3.52 0.43 -2.49 118.95 119.84 1t2r s ARG 38 Ca -0.02 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1t2r s ARG 38 Cb 0.14 -4.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 1t2r s ARG 38 CO 0.70 -2.98 0.00 0.41 -0.81 0.00 0.00 175.30 172.62 1t2r n GLY 39 N 5.88 0.98 3.74 8.12 0.00 0.15 -4.95 105.19 119.11 1t2r n GLY 39 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.95 2.13 -0.09 -0.61 -4.36 -1.04 -4.94 121.20 110.35 1t2r s ILE 40 Ca 0.00 -1.73 0.04 0.00 -0.26 0.00 0.00 60.65 58.70 1t2r s ILE 40 Cb 0.00 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1t2r s ILE 40 CO 0.00 0.00 -0.22 0.21 0.24 0.00 0.00 174.94 175.17 1t2r s ASN 41 N -3.92 2.87 -0.03 4.36 2.47 -1.26 -0.12 114.94 119.32 1t2r s ASN 41 Ca 0.37 -0.51 0.05 0.00 0.42 0.00 0.00 52.86 53.20 1t2r s ASN 41 Cb 0.04 -1.26 -0.01 0.00 -1.45 0.00 0.00 41.25 38.57 1t2r s ASN 41 CO 0.21 0.15 -0.19 0.68 -3.72 0.00 0.00 177.10 174.22 1t2r s VAL 42 N 0.34 1.55 -0.57 -5.21 -7.23 0.21 -4.38 120.40 105.11 1t2r s VAL 42 Ca -0.17 -0.82 -0.22 0.00 -1.81 0.00 0.00 61.98 58.97 1t2r s VAL 42 Cb -0.17 -1.30 0.06 0.00 0.56 0.00 0.00 36.38 35.52 1t2r s VAL 42 CO 0.08 0.44 0.85 -0.69 -0.31 0.00 0.00 175.10 175.46 1t2r s VAL 43 N -0.27 4.53 -0.33 1.32 1.01 0.63 -0.49 120.40 126.80 1t2r s VAL 43 Ca 0.03 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1t2r s VAL 43 Cb -0.09 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.79 1t2r s VAL 43 CO 0.01 -1.13 0.95 -0.47 0.00 0.00 0.00 175.10 174.46 1t2r s TYR 44 N 3.54 3.15 -0.50 5.22 5.04 0.53 -0.46 117.35 133.87 1t2r s TYR 44 Ca 0.23 0.97 -0.17 0.00 -2.44 0.00 0.00 57.07 55.66 1t2r s TYR 44 Cb -0.16 -3.53 0.07 0.00 0.35 0.00 0.00 41.96 38.69 1t2r s TYR 44 CO 0.14 -0.72 0.51 0.99 -1.34 0.00 0.00 175.55 175.13 1t2r s THR 45 N 3.39 5.07 0.00 4.34 2.01 -0.39 -2.30 115.64 127.77 1t2r s THR 45 Ca 0.40 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 1t2r s THR 45 Cb -0.13 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1t2r s THR 45 CO 0.15 -0.73 0.55 -2.16 -0.69 0.00 0.00 174.62 171.75 1t2r s PRO 46 N 2.09 4.24 0.55 4.92 0.04 -1.26 -4.81 135.00 140.76 1t2r s PRO 46 Ca 0.09 0.67 -0.20 0.00 0.04 0.00 0.00 61.00 61.59 1t2r s PRO 46 Cb -0.23 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1t2r s PRO 46 CO 0.08 0.45 0.99 -2.30 0.04 0.00 0.00 177.00 176.27 1t2r n PRO 47 N 2.46 1.08 0.10 0.56 -0.02 -1.26 -4.85 135.00 133.07 1t2r n PRO 47 Ca -0.09 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1t2r n PRO 47 Cb 0.51 -2.15 0.38 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.64 0.09 0.00 -0.52 -0.00 -1.26 -0.20 117.38 114.84 1t2r n GLN 48 Ca 0.12 0.59 0.14 0.00 -0.00 0.00 0.00 57.00 57.85 1t2r n GLN 48 Cb 0.45 -1.79 0.64 0.00 -0.00 0.00 0.00 30.24 29.54 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 -1.98 0.08 0.06 2.61 2.88 -1.26 -2.70 113.62 113.31 1t2r n SER 49 Ca -0.01 0.11 0.12 0.00 -1.33 0.00 0.00 58.87 57.76 1t2r n SER 49 Cb 0.02 -0.33 0.23 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.57 -2.28 0.66 3.01 0.71 -4.94 117.46 113.83 1t2r n PHE 50 Ca 0.10 0.16 -0.20 0.00 1.01 0.00 0.00 57.45 58.52 1t2r n PHE 50 Cb 0.30 -0.67 -0.02 0.00 -0.01 0.00 0.00 39.48 39.07 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 -2.07 -1.67 -4.28 -1.08 6.02 -1.10 -4.97 117.38 108.22 1t2r n GLN 51 Ca 0.04 1.03 -0.21 0.00 -0.01 0.00 0.00 57.00 57.84 1t2r n GLN 51 Cb 0.43 -5.65 -0.12 0.00 1.02 0.00 0.00 30.24 25.92 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 -2.15 2.39 0.07 1.08 0.01 -1.26 -5.14 113.70 108.70 1t2r s SER 52 Ca 0.00 -0.78 0.02 0.00 1.31 0.00 0.00 55.95 56.50 1t2r s SER 52 Cb 0.00 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1t2r s SER 52 CO 0.00 -0.04 0.11 0.00 0.41 0.00 0.00 173.24 173.72 1t2r s ALA 53 N -1.78 3.67 0.14 1.44 0.00 -1.26 -4.64 121.76 119.33 1t2r s ALA 53 Ca 0.10 -0.97 -0.35 0.00 0.00 0.00 0.00 51.96 50.74 1t2r s ALA 53 Cb -0.07 -1.53 -0.15 0.00 0.00 0.00 0.00 23.12 21.37 1t2r s ALA 53 CO 0.05 0.77 1.36 -2.30 0.00 0.00 0.00 175.76 175.64 1t2r n PRO 54 N 0.42 1.48 -4.00 0.00 -0.02 -1.25 -4.82 135.00 126.81 1t2r n PRO 54 Ca -0.08 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1t2r n PRO 54 Cb 0.51 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.28 0.84 0.04 -0.52 1.70 -0.97 -4.88 118.95 115.43 1t2r s ARG 55 Ca 0.79 -1.17 -0.27 0.00 -0.47 0.00 0.00 55.73 54.60 1t2r s ARG 55 Cb -0.83 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 33.79 1t2r s ARG 55 CO 0.46 -0.24 0.86 0.08 -1.08 0.00 0.00 175.30 175.38 1t2r s VAL 56 N -3.93 4.75 -0.03 4.99 1.01 -1.26 -0.35 120.40 125.58 1t2r s VAL 56 Ca 0.11 1.82 0.03 0.00 0.00 0.00 0.00 61.98 63.95 1t2r s VAL 56 Cb 0.06 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1t2r s VAL 56 CO -0.06 0.29 -0.13 -0.31 0.00 0.00 0.00 175.10 174.89 1t2r s TYR 57 N 0.32 1.26 -0.54 5.22 2.02 0.36 -4.94 117.35 121.04 1t2r s TYR 57 Ca 0.44 -0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 56.61 1t2r s TYR 57 Cb -0.21 -0.86 0.06 0.00 -0.40 0.00 0.00 41.96 40.55 1t2r s TYR 57 CO 0.25 -0.10 0.74 0.50 -1.57 0.00 0.00 175.55 175.37 1t2r s ARG 58 N 0.04 3.17 -0.11 -0.62 6.06 -1.26 -0.62 118.95 125.61 1t2r s ARG 58 Ca -0.02 -0.76 -0.30 0.00 -2.50 0.00 0.00 55.73 52.15 1t2r s ARG 58 Cb -0.09 -4.11 -0.02 0.00 0.06 0.00 0.00 34.95 30.78 1t2r s ARG 58 CO 0.01 -1.37 1.22 0.08 -2.50 0.00 0.00 175.30 172.73 1t2r s VAL 59 N 3.10 4.29 -0.24 7.11 1.01 0.83 -3.71 120.40 132.80 1t2r s VAL 59 Ca 0.19 1.59 0.20 0.00 0.00 0.00 0.00 61.98 63.96 1t2r s VAL 59 Cb -0.18 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.22 1t2r s VAL 59 CO 0.13 -0.06 1.14 0.78 0.00 0.00 0.00 175.10 177.09 1t2r h ASN 60 N 7.77 0.00 0.00 3.32 2.35 -1.09 0.42 115.58 128.35 1t2r h ASN 60 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1t2r h ASN 60 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1t2r h ASN 60 CO 0.92 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 177.50 1t2r n GLY 61 N 1.22 -0.58 3.09 2.83 0.00 -0.84 -4.19 105.19 106.71 1t2r n GLY 61 Ca -0.01 -0.33 -0.07 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 2.43 0.25 0.99 1.43 -1.26 -0.75 118.68 121.76 1t2r s LEU 62 Ca 0.00 -0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 1t2r s LEU 62 Cb 0.00 0.23 -0.08 0.00 0.03 0.00 0.00 46.19 46.37 1t2r s LEU 62 CO 0.00 -0.59 0.70 -0.55 0.23 0.00 0.00 176.35 176.14 1t2r s SER 63 N -2.84 6.92 0.46 2.29 0.15 -1.02 -4.70 113.70 114.96 1t2r s SER 63 Ca 0.06 1.32 0.26 0.00 0.70 0.00 0.00 55.95 58.28 1t2r s SER 63 Cb 0.07 -2.38 0.89 0.00 -1.71 0.00 0.00 66.02 62.89 1t2r s SER 63 CO -0.10 -0.05 1.81 -0.09 1.20 0.00 0.00 173.24 176.01 1t2r h ARG 64 N 2.98 0.00 -6.43 5.44 9.65 -2.00 -3.44 114.38 120.58 1t2r h ARG 64 Ca -0.48 0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 57.78 1t2r h ARG 64 Cb 1.19 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.52 1t2r h ARG 64 CO 0.65 0.15 -0.85 0.00 2.80 0.00 0.00 179.97 182.72 1t2r s ALA 65 N -3.53 2.02 0.18 2.80 0.00 -1.26 -5.06 121.76 116.91 1t2r s ALA 65 Ca 0.02 -1.24 -0.32 0.00 0.00 0.00 0.00 51.96 50.42 1t2r s ALA 65 Cb 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 23.12 22.74 1t2r s ALA 65 CO 0.62 0.45 1.72 -2.14 0.00 0.00 0.00 175.76 176.41 1t2r s PRO 66 N -1.56 4.14 0.35 0.00 0.02 -1.26 -4.59 135.00 132.10 1t2r s PRO 66 Ca 0.10 2.56 0.24 0.00 0.02 0.00 0.00 61.00 63.92 1t2r s PRO 66 Cb -0.10 -3.19 1.29 0.00 0.02 0.00 0.00 34.50 32.53 1t2r s PRO 66 CO 0.03 -0.75 1.73 0.00 -0.33 0.00 0.00 177.00 177.69 1t2r h ALA 67 N 7.14 1.00 0.00 -1.55 0.00 -1.83 0.19 119.26 124.21 1t2r h ALA 67 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1t2r h ALA 67 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t2r h ALA 67 CO 0.95 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.97 1t2r h SER 68 N 0.00 0.00 -0.21 0.00 0.02 -1.86 -2.11 113.55 109.40 1t2r h SER 68 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t2r h SER 68 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1t2r h SER 68 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 1t2r n SER 69 N -2.82 2.61 -4.56 3.07 7.64 0.66 -4.78 113.62 115.44 1t2r n SER 69 Ca 0.01 -1.77 -0.34 0.00 1.01 0.00 0.00 58.87 57.78 1t2r n SER 69 Cb 0.28 -0.13 -0.11 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.08 3.24 0.17 1.43 2.02 -0.81 -5.03 118.70 118.65 1t2r s GLU 70 Ca 0.22 -0.51 0.11 0.00 0.02 0.00 0.00 54.97 54.81 1t2r s GLU 70 Cb 0.13 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1t2r s GLU 70 CO 0.18 0.46 -0.22 0.95 0.02 0.00 0.00 175.26 176.66 1t2r s THR 71 N -0.25 2.49 -0.03 3.63 -4.23 -1.26 -2.62 115.64 113.38 1t2r s THR 71 Ca 0.04 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1t2r s THR 71 Cb -0.13 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1t2r s THR 71 CO 0.02 -0.06 -0.14 0.72 -0.54 0.00 0.00 174.62 174.63 1t2r s PHE 72 N -1.51 1.35 -0.45 3.99 -0.71 0.56 -4.92 117.98 116.28 1t2r s PHE 72 Ca 0.20 -0.32 -0.26 0.00 -1.04 0.00 0.00 56.93 55.50 1t2r s PHE 72 Cb -0.09 -0.90 0.03 0.00 -1.21 0.00 0.00 43.02 40.85 1t2r s PHE 72 CO 0.10 -0.09 0.97 -2.00 -1.34 0.00 0.00 175.22 172.87 1t2r s GLU 73 N -0.09 3.63 -0.32 1.99 -6.30 -1.26 -1.76 118.70 114.60 1t2r s GLU 73 Ca 0.00 0.33 0.03 0.00 -2.50 0.00 0.00 54.97 52.83 1t2r s GLU 73 Cb -0.08 -3.90 0.09 0.00 0.00 0.00 0.00 34.13 30.24 1t2r s GLU 73 CO 0.01 -1.21 0.04 -1.58 0.02 0.00 0.00 175.26 172.53 1t2r s HIS 74 N 3.86 3.20 -0.86 5.30 2.46 0.67 -4.73 115.29 125.19 1t2r s HIS 74 Ca 0.40 -2.59 -0.05 0.00 0.47 0.00 0.00 55.06 53.29 1t2r s HIS 74 Cb -0.10 -2.49 0.01 0.00 -0.13 0.00 0.00 32.58 29.87 1t2r s HIS 74 CO 0.26 -0.91 0.75 -0.25 -2.47 0.00 0.00 174.74 172.12 1t2r n ASP 75 N 4.42 -4.42 0.00 9.88 8.00 -1.26 -2.75 116.55 130.41 1t2r n ASP 75 Ca -0.00 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1t2r n ASP 75 Cb 0.42 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 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 -1.42 2.67 3.63 0.44 0.00 -1.26 -4.99 105.19 104.25 1t2r n GLY 76 Ca -0.02 0.00 -0.38 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 -0.37 4.04 -0.76 1.61 -0.14 -1.11 -5.03 119.74 117.98 1t2r s LYS 77 Ca 0.00 -0.13 -0.20 0.00 -1.36 0.00 0.00 55.97 54.28 1t2r s LYS 77 Cb 0.00 -3.61 0.10 0.00 -1.68 0.00 0.00 37.83 32.65 1t2r s LYS 77 CO 0.00 -0.12 0.98 0.15 -0.76 0.00 0.00 175.35 175.60 1t2r s LYS 78 N 1.58 3.30 0.06 1.68 1.02 -1.26 -0.24 119.74 125.88 1t2r s LYS 78 Ca 0.11 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1t2r s LYS 78 Cb -0.15 -4.51 -0.04 0.00 -0.52 0.00 0.00 37.83 32.61 1t2r s LYS 78 CO 0.08 -1.75 0.19 0.14 -0.92 0.00 0.00 175.35 173.10 1t2r s VAL 79 N 3.23 5.26 0.57 3.17 -7.23 -0.72 -4.78 120.40 119.90 1t2r s VAL 79 Ca 0.24 -0.44 -0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1t2r s VAL 79 Cb -0.13 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 1t2r s VAL 79 CO 0.01 0.15 0.91 0.42 -0.31 0.00 0.00 175.10 176.28 1t2r s THR 80 N -1.48 4.37 0.32 5.32 -4.23 -1.26 -0.33 115.64 118.36 1t2r s THR 80 Ca 0.34 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.21 1t2r s THR 80 Cb -0.13 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.27 1t2r s THR 80 CO 0.27 -0.80 1.97 0.40 -0.54 0.00 0.00 174.62 175.91 1t2r h ILE 81 N -0.11 1.14 -0.57 2.99 1.08 -1.33 -1.23 117.51 119.47 1t2r h ILE 81 Ca -0.46 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1t2r h ILE 81 Cb 1.22 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1t2r h ILE 81 CO 0.62 0.18 0.22 0.00 -0.69 0.00 0.00 178.15 178.48 1t2r h ALA 82 N 1.54 0.74 0.00 1.87 0.00 -1.87 -2.27 119.26 119.27 1t2r h ALA 82 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1t2r h ALA 82 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1t2r h ALA 82 CO -0.08 0.36 -0.36 0.66 0.00 0.00 0.00 179.25 179.83 1t2r h SER 83 N 0.78 0.00 -0.30 0.00 4.64 -1.76 0.49 113.55 117.40 1t2r h SER 83 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1t2r h SER 83 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1t2r h SER 83 CO -0.01 0.36 0.11 0.22 -0.87 0.00 0.00 176.83 176.64 1t2r h TYR 84 N 0.00 0.47 -0.35 4.77 3.20 -0.79 0.16 116.97 124.44 1t2r h TYR 84 Ca -0.00 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 1t2r h TYR 84 Cb 0.71 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1t2r h TYR 84 CO 0.00 0.47 -0.20 0.74 -1.64 0.00 0.00 178.16 177.53 1t2r h PHE 85 N 0.34 0.73 -0.47 -3.82 -1.00 -1.00 -1.18 116.94 110.54 1t2r h PHE 85 Ca 0.10 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1t2r h PHE 85 Cb 0.21 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1t2r h PHE 85 CO -0.00 0.81 0.18 1.25 -1.61 0.00 0.00 178.31 178.93 1t2r h HIS 86 N 0.58 0.68 0.00 -0.55 2.76 -0.61 0.23 115.15 118.24 1t2r h HIS 86 Ca 0.09 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 1t2r h HIS 86 Cb 0.67 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1t2r h HIS 86 CO 0.03 0.54 -0.23 1.03 -1.30 0.00 0.00 177.93 178.00 1t2r h SER 87 N 0.67 0.00 -0.18 3.26 0.87 -0.09 -0.81 113.55 117.28 1t2r h SER 87 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1t2r h SER 87 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1t2r h SER 87 CO -0.01 0.23 0.00 0.54 -0.53 0.00 0.00 176.83 177.06 1t2r n ARG 88 N -3.58 1.85 -2.58 2.24 5.12 0.20 -4.86 116.66 115.05 1t2r n ARG 88 Ca -0.01 -0.82 -0.21 0.00 -1.93 0.00 0.00 57.85 54.88 1t2r n ARG 88 Cb 0.37 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 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 0.15 -5.98 -3.70 0.55 3.02 -0.31 -4.69 115.26 104.31 1t2r n ASN 89 Ca 0.07 -0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 1t2r n ASN 89 Cb 0.38 -4.93 -0.14 0.00 -0.61 0.00 0.00 39.78 34.48 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 -3.08 1.72 -0.19 3.10 5.04 0.55 -4.98 117.35 119.51 1t2r s TYR 90 Ca 0.09 -2.02 -0.29 0.00 -2.44 0.00 0.00 57.07 52.41 1t2r s TYR 90 Cb -0.04 -1.71 -0.02 0.00 0.35 0.00 0.00 41.96 40.55 1t2r s TYR 90 CO 0.11 -0.83 1.33 -1.25 -1.34 0.00 0.00 175.55 173.57 1t2r s PRO 91 N 1.03 4.13 0.37 4.97 0.04 -1.26 -2.95 135.00 141.33 1t2r s PRO 91 Ca 0.14 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 1t2r s PRO 91 Cb -0.21 -3.83 -0.11 0.00 0.04 0.00 0.00 34.50 30.39 1t2r s PRO 91 CO -0.12 -0.85 1.43 1.28 0.04 0.00 0.00 177.00 178.79 1t2r n LEU 92 N 7.01 4.47 0.04 -3.56 4.77 -1.26 -4.91 117.00 123.55 1t2r n LEU 92 Ca 0.15 1.22 -0.03 0.00 -0.03 0.00 0.00 56.01 57.32 1t2r n LEU 92 Cb 0.45 -1.58 -0.09 0.00 -2.33 0.00 0.00 43.42 39.87 1t2r n LEU 92 CO 0.59 -0.03 -0.19 0.11 -1.33 0.00 0.00 177.39 176.53 1t2r h LYS 93 N 2.80 0.00 -2.28 3.23 1.57 -2.02 -3.39 116.57 116.49 1t2r h LYS 93 Ca -0.49 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.70 1t2r h LYS 93 Cb 1.25 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.16 1t2r h LYS 93 CO 0.63 0.46 -0.81 1.19 -0.57 0.00 0.00 179.45 180.35 1t2r n PHE 94 N -3.04 1.69 0.24 -1.35 3.72 -1.26 -4.86 117.46 112.60 1t2r n PHE 94 Ca -0.09 -3.88 0.16 0.00 -0.05 0.00 0.00 57.45 53.59 1t2r n PHE 94 Cb 0.89 -0.40 0.83 0.00 -0.94 0.00 0.00 39.48 39.87 1t2r n PHE 94 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1t2r h PRO 95 N 4.47 0.00 -0.67 -1.08 0.11 -1.99 -2.55 132.00 130.28 1t2r h PRO 95 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1t2r h PRO 95 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1t2r h PRO 95 CO 0.64 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.47 1t2r n GLN 96 N -2.59 2.59 -3.72 1.05 6.02 -1.26 -4.25 117.38 115.22 1t2r n GLN 96 Ca -0.02 -1.45 -0.35 0.00 -0.01 0.00 0.00 57.00 55.16 1t2r n GLN 96 Cb 0.08 -1.70 -0.05 0.00 1.02 0.00 0.00 30.24 29.58 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 -1.24 4.38 -0.26 1.08 0.05 -0.96 -2.64 118.68 119.10 1t2r s LEU 97 Ca 0.26 0.63 -0.27 0.00 0.05 0.00 0.00 54.13 54.79 1t2r s LEU 97 Cb 0.18 -2.63 0.01 0.00 -2.05 0.00 0.00 46.19 41.69 1t2r s LEU 97 CO 0.10 0.27 0.97 -1.00 -0.55 0.00 0.00 176.35 176.14 1t2r s HIS 98 N -1.26 3.28 0.64 3.48 3.76 -1.26 -3.95 115.29 119.98 1t2r s HIS 98 Ca 0.26 1.26 -0.12 0.00 -0.15 0.00 0.00 55.06 56.32 1t2r s HIS 98 Cb -0.14 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.24 1t2r s HIS 98 CO 0.15 -0.53 1.04 0.00 -0.85 0.00 0.00 174.74 174.55 1t2r s LEU 100 N -5.11 4.21 -1.02 0.00 1.43 0.64 -2.42 118.68 116.41 1t2r s LEU 100 Ca 0.58 1.61 -0.22 0.00 -1.03 0.00 0.00 54.13 55.07 1t2r s LEU 100 Cb -0.13 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.60 1t2r s LEU 100 CO 0.49 -0.60 1.43 0.21 0.23 0.00 0.00 176.35 178.12 1t2r s ASN 101 N 1.40 6.52 0.00 2.29 2.47 0.07 -0.11 114.94 127.57 1t2r s ASN 101 Ca 0.51 -1.53 0.00 0.00 0.42 0.00 0.00 52.86 52.26 1t2r s ASN 101 Cb -0.20 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 1t2r s ASN 101 CO 0.16 -1.46 0.00 1.33 -3.72 0.00 0.00 177.10 173.41 1t2r n VAL 102 N 6.76 0.00 -3.56 -5.21 0.24 0.67 -0.66 118.33 116.56 1t2r n VAL 102 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 1t2r n VAL 102 Cb 0.51 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1t2r n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t2r n GLY 103 N 5.00 0.28 3.83 7.63 0.00 -1.24 -2.61 105.19 118.07 1t2r n GLY 103 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1t2r n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t2r s SER 104 N -4.00 4.35 0.30 1.61 0.15 -0.73 -4.73 113.70 110.65 1t2r s SER 104 Ca 0.00 -1.49 -0.02 0.00 0.70 0.00 0.00 55.95 55.14 1t2r s SER 104 Cb 0.00 0.51 0.44 0.00 -1.71 0.00 0.00 66.02 65.27 1t2r s SER 104 CO 0.00 -0.98 1.94 0.77 1.20 0.00 0.00 173.24 176.17 1t2r h SER 105 N 1.07 0.90 -0.01 5.45 4.64 -2.00 -2.94 113.55 120.66 1t2r h SER 105 Ca -0.41 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1t2r h SER 105 Cb 1.31 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1t2r h SER 105 CO 0.67 0.70 -0.13 0.16 -0.87 0.00 0.00 176.83 177.35 1t2r h ILE 106 N 1.03 1.56 -1.78 0.95 3.07 -1.97 -3.37 117.51 117.01 1t2r h ILE 106 Ca 0.27 -1.82 -0.70 0.00 1.55 0.00 0.00 64.86 64.16 1t2r h ILE 106 Cb -0.03 2.72 -0.14 0.00 -0.27 0.00 0.00 36.82 39.10 1t2r h ILE 106 CO -0.05 0.49 1.46 -0.75 -1.05 0.00 0.00 178.15 178.24 1t2r s LYS 107 N -3.24 3.89 -0.89 0.16 2.20 -1.11 -4.94 119.74 115.81 1t2r s LYS 107 Ca -0.16 -2.07 -0.22 0.00 -0.36 0.00 0.00 55.97 53.15 1t2r s LYS 107 Cb 0.00 -5.18 0.07 0.00 -1.51 0.00 0.00 37.83 31.21 1t2r s LYS 107 CO 0.72 -1.94 1.25 -1.12 -0.36 0.00 0.00 175.35 173.89 1t2r s SER 108 N 3.62 6.42 -0.13 1.43 0.01 -1.22 -1.77 113.70 122.07 1t2r s SER 108 Ca 0.44 -1.36 0.01 0.00 1.31 0.00 0.00 55.95 56.35 1t2r s SER 108 Cb -0.01 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1t2r s SER 108 CO -0.02 -1.43 -0.17 0.27 0.41 0.00 0.00 173.24 172.30 1t2r s ILE 109 N 4.33 2.67 -0.34 1.44 -4.36 -1.07 -4.97 121.20 118.91 1t2r s ILE 109 Ca 0.36 -0.79 -0.15 0.00 -0.26 0.00 0.00 60.65 59.81 1t2r s ILE 109 Cb -0.06 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 1t2r s ILE 109 CO -0.02 0.53 0.36 -0.76 0.24 0.00 0.00 174.94 175.29 1t2r s LEU 110 N 0.48 4.41 -0.24 0.37 1.02 -1.23 -0.24 118.68 123.26 1t2r s LEU 110 Ca -0.11 -0.21 -0.06 0.00 0.02 0.00 0.00 54.13 53.77 1t2r s LEU 110 Cb -0.16 -2.33 -0.02 0.00 0.02 0.00 0.00 46.19 43.69 1t2r s LEU 110 CO 0.05 -0.32 0.02 -0.76 0.02 0.00 0.00 176.35 175.36 1t2r s LEU 111 N 2.01 3.20 -0.29 1.79 1.43 0.84 -4.72 118.68 122.93 1t2r s LEU 111 Ca 0.12 -0.29 -0.37 0.00 -1.03 0.00 0.00 54.13 52.56 1t2r s LEU 111 Cb -0.17 -1.84 -0.13 0.00 0.03 0.00 0.00 46.19 44.09 1t2r s LEU 111 CO 0.11 -0.02 2.01 -2.65 0.23 0.00 0.00 176.35 176.03 1t2r n PRO 112 N 4.85 1.25 0.31 1.29 -0.02 -1.26 -0.26 135.00 141.16 1t2r n PRO 112 Ca -0.17 0.41 0.19 0.00 -2.02 0.00 0.00 63.50 61.91 1t2r n PRO 112 Cb 0.51 -2.36 1.03 0.00 -0.02 0.00 0.00 33.50 32.66 1t2r n PRO 112 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1t2r h ILE 113 N 6.29 0.15 -0.89 4.25 2.10 -1.93 -0.94 117.51 126.53 1t2r h ILE 113 Ca -0.36 0.00 0.11 0.00 1.08 0.00 0.00 64.86 65.69 1t2r h ILE 113 Cb 1.31 0.90 -0.07 0.00 -1.09 0.00 0.00 36.82 37.87 1t2r h ILE 113 CO 0.99 0.00 0.57 -0.08 -1.08 0.00 0.00 178.15 178.56 1t2r h GLU 114 N 0.00 0.82 -0.56 2.19 4.81 -1.94 -2.27 114.58 117.63 1t2r h GLU 114 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1t2r h GLU 114 Cb 0.24 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1t2r h GLU 114 CO -0.00 0.54 0.00 1.28 -0.73 0.00 0.00 179.01 180.10 1t2r n LEU 115 N -4.54 5.04 -4.65 1.64 4.77 -0.36 -4.75 117.00 114.15 1t2r n LEU 115 Ca 0.16 -2.72 -0.35 0.00 -0.03 0.00 0.00 56.01 53.07 1t2r n LEU 115 Cb 0.34 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1t2r n LEU 115 CO 0.31 0.71 -0.27 0.00 -1.33 0.00 0.00 177.39 176.81 1t2r s SER 117 N 0.00 5.38 -0.37 0.00 0.01 0.39 -0.60 113.70 118.52 1t2r s SER 117 Ca 0.05 -0.96 -0.24 0.00 1.31 0.00 0.00 55.95 56.12 1t2r s SER 117 Cb -0.12 -1.92 0.01 0.00 0.21 0.00 0.00 66.02 64.20 1t2r s SER 117 CO 0.01 -0.30 0.80 -0.51 0.41 0.00 0.00 173.24 173.66 1t2r s ILE 118 N 1.48 4.71 0.76 1.44 2.07 0.13 -0.27 121.20 131.51 1t2r s ILE 118 Ca 0.01 0.91 -0.11 0.00 -1.41 0.00 0.00 60.65 60.05 1t2r s ILE 118 Cb -0.19 -4.23 0.05 0.00 0.13 0.00 0.00 42.46 38.22 1t2r s ILE 118 CO 0.04 -0.46 1.08 -1.83 -1.91 0.00 0.00 174.94 171.87 1t2r s GLU 119 N 3.16 2.40 0.23 3.50 -1.05 -1.26 -0.59 118.70 125.10 1t2r s GLU 119 Ca 0.32 0.73 -0.06 0.00 -0.15 0.00 0.00 54.97 55.81 1t2r s GLU 119 Cb -0.13 -1.95 0.40 0.00 -0.44 0.00 0.00 34.13 32.01 1t2r s GLU 119 CO 0.17 -1.42 1.71 1.05 0.95 0.00 0.00 175.26 177.73 1t2r h GLU 120 N -0.94 0.34 -0.18 -4.83 4.11 -1.70 -3.46 114.58 107.92 1t2r h GLU 120 Ca -0.46 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 58.87 1t2r h GLU 120 Cb 1.25 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1t2r h GLU 120 CO 0.59 0.23 -0.07 0.41 0.07 0.00 0.00 179.01 180.23 1t2r n GLY 121 N -1.33 0.67 0.20 1.06 0.00 -1.26 -4.90 105.19 99.63 1t2r n GLY 121 Ca 0.12 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 0.12 0.00 0.00 1.61 1.08 -1.99 -3.55 115.11 112.39 1t2r h GLN 122 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1t2r h GLN 122 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1t2r h GLN 122 CO 0.11 0.30 0.00 0.00 -0.95 0.00 0.00 178.83 178.29