#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 3.14 -1.28 4.61 0.00 -1.26 -4.90 121.76 122.07 1t2r s ALA 2 Ca 0.00 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1t2r s ALA 2 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1t2r s ALA 2 CO 0.00 -0.59 1.78 1.41 0.00 0.00 0.00 175.76 178.36 1t2r s MET 3 N -2.35 3.68 -0.38 0.00 -2.45 -1.26 -4.91 119.30 111.63 1t2r s MET 3 Ca 0.58 -1.83 -0.19 0.00 -1.25 0.00 0.00 55.69 53.00 1t2r s MET 3 Cb -0.31 -5.48 0.01 0.00 1.25 0.00 0.00 34.83 30.29 1t2r s MET 3 CO 0.39 -2.62 0.56 0.00 1.05 0.00 0.00 175.02 174.41 1t2r s ALA 4 N 5.64 3.43 -0.22 4.11 0.00 -1.26 -3.61 121.76 129.86 1t2r s ALA 4 Ca 0.57 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 1t2r s ALA 4 Cb 0.03 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1t2r s ALA 4 CO 0.09 -1.43 0.64 -1.64 0.00 0.00 0.00 175.76 173.42 1t2r s MET 5 N 2.54 4.18 -0.11 0.00 1.00 -0.16 -4.81 119.30 121.94 1t2r s MET 5 Ca 0.20 0.61 -0.36 0.00 0.00 0.00 0.00 55.69 56.15 1t2r s MET 5 Cb -0.15 -3.61 -0.13 0.00 0.00 0.00 0.00 34.83 30.95 1t2r s MET 5 CO 0.15 -0.31 1.82 -2.30 0.00 0.00 0.00 175.02 174.37 1t2r n PRO 6 N 5.32 1.92 0.20 2.03 -0.02 -1.26 0.29 135.00 143.48 1t2r n PRO 6 Ca -0.01 0.70 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 1t2r n PRO 6 Cb 0.49 -2.50 0.69 0.00 -0.02 0.00 0.00 33.50 32.16 1t2r n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t2r h MET 7 N 8.41 0.00 -0.24 -0.52 2.86 -1.05 0.14 114.93 124.54 1t2r h MET 7 Ca -0.48 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 1t2r h MET 7 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1t2r h MET 7 CO 0.94 0.00 0.08 0.82 1.06 0.00 0.00 176.91 179.82 1t2r h ILE 8 N 0.00 1.18 -0.75 -1.22 1.08 -1.81 -1.40 117.51 114.60 1t2r h ILE 8 Ca 0.06 -0.57 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 1t2r h ILE 8 Cb 0.25 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 1t2r h ILE 8 CO -0.00 0.19 0.39 -0.08 -0.69 0.00 0.00 178.15 177.95 1t2r h GLU 9 N 0.23 1.05 -0.43 2.37 4.81 -1.18 -0.35 114.58 121.08 1t2r h GLU 9 Ca 0.08 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1t2r h GLU 9 Cb 0.21 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1t2r h GLU 9 CO -0.00 0.79 0.16 -0.92 -0.73 0.00 0.00 179.01 178.30 1t2r h TYR 10 N 1.05 0.28 -0.29 0.92 3.20 -0.70 -0.15 116.97 121.28 1t2r h TYR 10 Ca 0.26 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.02 1t2r h TYR 10 Cb 0.07 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1t2r h TYR 10 CO 0.01 0.11 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.21 1t2r h LEU 11 N 0.33 0.68 -0.16 2.82 4.07 -0.70 -0.55 115.31 121.80 1t2r h LEU 11 Ca 0.20 -0.28 0.02 0.00 0.08 0.00 0.00 57.88 57.90 1t2r h LEU 11 Cb 0.19 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1t2r h LEU 11 CO -0.20 0.97 0.00 -0.33 -1.08 0.00 0.00 178.44 177.80 1t2r h GLU 12 N 0.54 0.05 -0.04 1.13 5.08 -0.45 0.17 114.58 121.06 1t2r h GLU 12 Ca 0.05 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1t2r h GLU 12 Cb 0.86 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.11 1t2r h GLU 12 CO 0.07 0.03 -0.49 0.00 -1.00 0.00 0.00 179.01 177.63 1t2r h ARG 13 N 0.05 0.40 0.00 2.33 3.08 -0.90 0.92 114.38 120.26 1t2r h ARG 13 Ca 0.07 -0.38 -0.20 0.00 0.07 0.00 0.00 59.98 59.55 1t2r h ARG 13 Cb 0.09 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1t2r h ARG 13 CO -0.12 1.03 -2.03 1.19 -1.07 0.00 0.00 179.97 178.97 1t2r n PHE 14 N -4.29 0.00 -0.12 3.04 3.72 -0.23 -4.09 117.46 115.48 1t2r n PHE 14 Ca -0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 1t2r n PHE 14 Cb 0.60 -0.68 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.45 1.94 0.02 4.37 2.88 0.34 -4.62 113.62 116.10 1t2r n SER 15 Ca -0.19 0.36 0.09 0.00 -1.33 0.00 0.00 58.87 57.80 1t2r n SER 15 Cb 0.84 -0.82 -0.12 0.00 -0.75 0.00 0.00 64.21 63.36 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 -4.33 0.28 -1.59 2.46 4.77 0.22 -4.96 117.00 113.84 1t2r n LEU 16 Ca -0.42 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 55.49 1t2r n LEU 16 Cb 0.77 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 1t2r n LEU 16 CO 0.09 -0.01 -0.19 0.29 -1.33 0.00 0.00 177.39 176.24 1t2r n LYS 17 N -2.44 -1.28 0.00 3.23 4.76 0.19 -4.90 118.16 117.72 1t2r n LYS 17 Ca -0.05 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 1t2r n LYS 17 Cb 0.62 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 1t2r n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2r n ALA 18 N 0.05 0.00 -2.68 7.82 0.00 -0.42 -4.96 120.51 120.32 1t2r n ALA 18 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 1t2r n ALA 18 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1t2r n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1t2r s LYS 19 N 1.88 3.00 0.05 0.00 2.20 -1.26 -4.37 119.74 121.24 1t2r s LYS 19 Ca 0.00 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1t2r s LYS 19 Cb 0.00 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.52 1t2r s LYS 19 CO 0.00 0.64 1.04 0.42 -0.36 0.00 0.00 175.35 177.09 1t2r s ILE 20 N -0.72 4.51 0.37 5.43 -1.09 -1.26 -5.01 121.20 123.43 1t2r s ILE 20 Ca 0.11 1.87 0.05 0.00 -2.23 0.00 0.00 60.65 60.45 1t2r s ILE 20 Cb -0.11 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1t2r s ILE 20 CO 0.02 0.19 0.18 0.21 -1.23 0.00 0.00 174.94 174.30 1t2r s ASN 21 N 0.74 2.24 0.34 3.58 3.84 -1.26 -5.02 114.94 119.40 1t2r s ASN 21 Ca 0.52 -1.68 0.26 0.00 0.21 0.00 0.00 52.86 52.18 1t2r s ASN 21 Cb -0.24 0.50 0.94 0.00 -0.55 0.00 0.00 41.25 41.90 1t2r s ASN 21 CO 0.29 -0.96 1.78 -0.55 -2.79 0.00 0.00 177.10 174.87 1t2r h ASN 22 N 1.97 0.00 0.31 -4.21 -1.07 -1.96 -2.99 115.58 107.62 1t2r h ASN 22 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.05 1t2r h ASN 22 Cb 1.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.51 1t2r h ASN 22 CO 0.50 0.00 -0.82 0.41 0.07 0.00 0.00 177.43 177.59 1t2r n THR 23 N -2.55 0.05 -3.10 6.14 -1.04 -1.26 -4.84 114.28 107.68 1t2r n THR 23 Ca 0.03 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 1t2r n THR 23 Cb 0.34 0.48 -0.06 0.00 -1.82 0.00 0.00 70.33 69.27 1t2r n THR 23 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1t2r s THR 24 N -3.06 4.95 -0.37 12.58 -4.23 -1.13 -5.02 115.64 119.36 1t2r s THR 24 Ca 0.08 1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 61.30 1t2r s THR 24 Cb 0.16 -3.98 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1t2r s THR 24 CO 0.79 -0.07 1.15 0.20 -0.54 0.00 0.00 174.62 176.15 1t2r s ASN 25 N 1.56 6.77 0.62 3.99 -0.87 -1.26 -4.77 114.94 120.97 1t2r s ASN 25 Ca 0.26 0.87 0.32 0.00 -1.57 0.00 0.00 52.86 52.75 1t2r s ASN 25 Cb -0.15 -2.54 1.84 0.00 -0.02 0.00 0.00 41.25 40.37 1t2r s ASN 25 CO 0.10 -1.06 2.15 -0.07 -2.57 0.00 0.00 177.10 175.65 1t2r h LEU 26 N 10.68 0.00 -1.43 0.60 -0.00 -1.96 -1.56 115.31 121.65 1t2r h LEU 26 Ca -0.22 0.00 0.27 0.00 -0.00 0.00 0.00 57.88 57.92 1t2r h LEU 26 Cb 1.07 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.64 1t2r h LEU 26 CO 1.07 0.00 0.68 -0.78 -0.00 0.00 0.00 178.44 179.41 1t2r h ASP 27 N 0.00 0.40 0.43 -0.43 3.58 -1.91 0.95 116.42 119.46 1t2r h ASP 27 Ca 0.05 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1t2r h ASP 27 Cb 0.37 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1t2r h ASP 27 CO -0.00 0.08 0.00 1.88 -2.88 0.00 0.00 179.24 178.32 1t2r h TYR 28 N 0.36 0.00 0.00 0.28 -1.99 -1.69 -2.81 116.97 111.11 1t2r h TYR 28 Ca 0.58 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.22 1t2r h TYR 28 Cb 1.55 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.26 1t2r h TYR 28 CO -0.00 0.00 -1.34 0.43 -0.00 0.00 0.00 178.16 177.25 1t2r n SER 29 N -2.87 1.67 -0.19 3.88 7.64 0.06 -4.86 113.62 118.96 1t2r n SER 29 Ca -0.01 0.03 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 1t2r n SER 29 Cb 0.16 -0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.65 0.00 1.43 9.65 0.87 -1.14 114.38 125.71 1t2r h ARG 30 Ca -0.15 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.66 1t2r h ARG 30 Cb 1.16 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1t2r h ARG 30 CO -0.07 0.43 -0.15 -0.09 2.80 0.00 0.00 179.97 182.90 1t2r h ARG 31 N 0.67 0.00 0.00 0.20 2.43 -1.69 -1.09 114.38 114.90 1t2r h ARG 31 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1t2r h ARG 31 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1t2r h ARG 31 CO -0.10 0.15 -0.75 0.74 -1.51 0.00 0.00 179.97 178.51 1t2r h PHE 32 N 0.00 0.00 -0.01 2.20 0.04 -1.45 -3.32 116.94 114.40 1t2r h PHE 32 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1t2r h PHE 32 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1t2r h PHE 32 CO 0.00 0.00 -0.04 1.28 -0.60 0.00 0.00 178.31 178.95 1t2r n LEU 33 N -2.42 0.87 -0.19 1.54 4.77 -0.42 -4.34 117.00 116.80 1t2r n LEU 33 Ca 0.02 -0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 55.70 1t2r n LEU 33 Cb 0.49 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1t2r n LEU 33 CO 0.38 0.15 0.66 -0.33 -1.33 0.00 0.00 177.39 176.92 1t2r h GLU 34 N 1.30 -0.13 0.00 3.23 5.08 -1.65 0.15 114.58 122.57 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 0.34 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1t2r h GLU 34 CO 0.00 -0.08 0.00 -1.00 -1.00 0.00 0.00 179.01 176.93 1t2r h PRO 35 N -0.13 0.00 0.19 2.33 0.13 -1.91 -1.42 132.00 131.19 1t2r h PRO 35 Ca 0.25 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.02 1t2r h PRO 35 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 1t2r h PRO 35 CO -0.65 0.00 -1.74 0.35 -0.23 0.00 0.00 178.00 175.73 1t2r h PHE 36 N 0.00 0.74 0.00 1.56 3.57 -1.09 -3.30 116.94 118.42 1t2r h PHE 36 Ca 0.00 -0.54 -0.03 0.00 3.53 0.00 0.00 57.97 60.92 1t2r h PHE 36 Cb 0.18 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1t2r h PHE 36 CO 0.00 1.68 -0.16 -0.07 -2.23 0.00 0.00 178.31 177.52 1t2r h LEU 37 N 0.11 0.00 -8.65 0.59 -0.00 -0.44 -3.43 115.31 103.50 1t2r h LEU 37 Ca -0.34 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.05 1t2r h LEU 37 Cb 2.11 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.76 1t2r h LEU 37 CO 0.18 0.16 1.54 -0.60 -0.00 0.00 0.00 178.44 179.73 1t2r s ARG 38 N -3.99 2.39 0.00 1.13 3.52 -0.59 -2.27 118.95 119.14 1t2r s ARG 38 Ca -0.02 1.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1t2r s ARG 38 Cb 0.12 -4.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.01 1t2r s ARG 38 CO 0.60 -2.95 0.00 0.41 -0.81 0.00 0.00 175.30 172.55 1t2r n GLY 39 N 5.88 1.21 3.98 8.12 0.00 0.20 -4.97 105.19 119.61 1t2r n GLY 39 Ca 0.32 0.00 -0.20 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 2.97 -0.14 -0.61 -4.36 -0.96 -4.85 121.20 111.25 1t2r s ILE 40 Ca 0.00 -0.73 0.02 0.00 -0.26 0.00 0.00 60.65 59.68 1t2r s ILE 40 Cb 0.00 -3.08 0.01 0.00 1.25 0.00 0.00 42.46 40.64 1t2r s ILE 40 CO 0.00 -0.05 -0.21 0.54 0.24 0.00 0.00 174.94 175.46 1t2r s ASN 41 N -4.37 3.23 -0.06 4.36 4.22 -1.26 -0.39 114.94 120.67 1t2r s ASN 41 Ca 0.55 -0.57 0.06 0.00 -2.14 0.00 0.00 52.86 50.76 1t2r s ASN 41 Cb -0.10 -1.47 -0.01 0.00 1.28 0.00 0.00 41.25 40.95 1t2r s ASN 41 CO 0.37 0.09 -0.24 0.68 -2.04 0.00 0.00 177.10 175.96 1t2r s VAL 42 N 0.74 2.10 -0.56 3.54 -7.23 -0.10 -3.67 120.40 115.23 1t2r s VAL 42 Ca -0.08 -1.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.83 1t2r s VAL 42 Cb -0.16 -1.76 0.07 0.00 0.56 0.00 0.00 36.38 35.09 1t2r s VAL 42 CO 0.00 0.57 0.74 -0.69 -0.31 0.00 0.00 175.10 175.41 1t2r s VAL 43 N -0.13 4.71 -0.27 1.32 1.01 0.11 -0.36 120.40 126.79 1t2r s VAL 43 Ca -0.05 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1t2r s VAL 43 Cb -0.14 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1t2r s VAL 43 CO 0.04 -1.02 0.66 -0.47 0.00 0.00 0.00 175.10 174.31 1t2r s TYR 44 N 3.06 3.26 -0.50 5.22 5.04 0.92 -0.48 117.35 133.86 1t2r s TYR 44 Ca 0.18 0.77 -0.17 0.00 -2.44 0.00 0.00 57.07 55.40 1t2r s TYR 44 Cb -0.19 -2.94 0.07 0.00 0.35 0.00 0.00 41.96 39.25 1t2r s TYR 44 CO 0.11 -0.40 0.52 0.95 -1.34 0.00 0.00 175.55 175.40 1t2r s THR 45 N 2.61 5.05 0.41 4.34 -4.23 -0.11 -2.19 115.64 121.51 1t2r s THR 45 Ca 0.27 -0.84 -0.24 0.00 -1.18 0.00 0.00 61.69 59.70 1t2r s THR 45 Cb -0.15 -4.24 -0.09 0.00 1.34 0.00 0.00 72.50 69.36 1t2r s THR 45 CO 0.10 -0.74 1.06 -2.84 -0.54 0.00 0.00 174.62 171.66 1t2r s PRO 46 N 2.14 4.09 0.28 3.99 0.02 -1.26 -4.81 135.00 139.45 1t2r s PRO 46 Ca 0.09 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 62.34 1t2r s PRO 46 Cb -0.22 -2.49 -0.14 0.00 0.02 0.00 0.00 34.50 31.67 1t2r s PRO 46 CO 0.09 -0.21 1.21 -2.30 -0.33 0.00 0.00 177.00 175.45 1t2r n PRO 47 N -0.19 1.71 0.20 5.54 -0.02 -1.26 -4.84 135.00 136.14 1t2r n PRO 47 Ca 0.06 0.60 0.18 0.00 -2.02 0.00 0.00 63.50 62.32 1t2r n PRO 47 Cb 0.50 -2.12 0.83 0.00 -0.02 0.00 0.00 33.50 32.69 1t2r n PRO 47 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1t2r h GLN 48 N 2.88 0.00 0.00 -0.52 3.07 -1.92 0.11 115.11 118.73 1t2r h GLN 48 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1t2r h GLN 48 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1t2r h GLN 48 CO 0.66 0.00 0.00 0.45 0.09 0.00 0.00 178.83 180.03 1t2r n SER 49 N -3.68 0.00 0.00 0.06 2.88 -1.26 -2.12 113.62 109.50 1t2r n SER 49 Ca 0.02 0.25 0.12 0.00 -1.33 0.00 0.00 58.87 57.93 1t2r n SER 49 Cb 0.36 -0.40 0.21 0.00 -0.75 0.00 0.00 64.21 63.63 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 -1.40 0.03 -2.42 0.66 3.72 0.38 -4.95 117.46 113.48 1t2r n PHE 50 Ca 0.08 0.01 -0.16 0.00 -0.05 0.00 0.00 57.45 57.33 1t2r n PHE 50 Cb 0.23 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1t2r n PHE 50 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1t2r n GLN 51 N -1.54 -2.01 -3.88 -1.08 6.02 -0.90 -4.96 117.38 109.03 1t2r n GLN 51 Ca 0.05 0.76 -0.21 0.00 -0.01 0.00 0.00 57.00 57.59 1t2r n GLN 51 Cb 0.34 -5.39 -0.04 0.00 1.02 0.00 0.00 30.24 26.17 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 -2.04 5.24 0.25 1.08 0.01 -1.26 -5.14 113.70 111.84 1t2r s SER 52 Ca 0.00 -0.50 0.10 0.00 1.31 0.00 0.00 55.95 56.86 1t2r s SER 52 Cb 0.00 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 1t2r s SER 52 CO 0.00 -0.31 -0.07 0.00 0.41 0.00 0.00 173.24 173.26 1t2r s ALA 53 N -2.30 3.01 0.21 1.44 0.00 -1.26 -4.68 121.76 118.18 1t2r s ALA 53 Ca 0.40 -1.66 -0.32 0.00 0.00 0.00 0.00 51.96 50.37 1t2r s ALA 53 Cb -0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 23.12 22.29 1t2r s ALA 53 CO 0.26 0.32 1.53 -2.30 0.00 0.00 0.00 175.76 175.57 1t2r n PRO 54 N -0.60 2.22 -4.29 0.00 -0.02 -1.25 -4.69 135.00 126.37 1t2r n PRO 54 Ca -0.07 0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 62.03 1t2r n PRO 54 Cb 0.58 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 1t2r n PRO 54 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1t2r s ARG 55 N 0.28 1.18 -0.28 -0.52 0.52 -0.93 -4.87 118.95 114.32 1t2r s ARG 55 Ca 0.73 -1.45 -0.11 0.00 -0.52 0.00 0.00 55.73 54.38 1t2r s ARG 55 Cb -0.63 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 1t2r s ARG 55 CO 0.43 0.16 0.18 0.08 0.02 0.00 0.00 175.30 176.17 1t2r s VAL 56 N -2.77 5.17 -0.08 3.52 1.01 -1.25 -0.06 120.40 125.95 1t2r s VAL 56 Ca 0.17 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1t2r s VAL 56 Cb -0.01 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1t2r s VAL 56 CO 0.04 0.23 -0.10 -0.31 0.00 0.00 0.00 175.10 174.96 1t2r s TYR 57 N 1.74 2.84 -0.76 5.22 1.51 0.52 -4.89 117.35 123.52 1t2r s TYR 57 Ca 0.07 -0.20 -0.21 0.00 -1.01 0.00 0.00 57.07 55.72 1t2r s TYR 57 Cb -0.16 -1.73 0.10 0.00 -0.11 0.00 0.00 41.96 40.05 1t2r s TYR 57 CO 0.10 0.14 1.01 0.50 -1.11 0.00 0.00 175.55 176.18 1t2r s ARG 58 N -0.44 3.30 -0.13 -0.62 6.06 -1.26 -0.92 118.95 124.94 1t2r s ARG 58 Ca 0.06 -1.26 -0.29 0.00 -2.50 0.00 0.00 55.73 51.73 1t2r s ARG 58 Cb -0.12 -4.52 -0.03 0.00 0.06 0.00 0.00 34.95 30.34 1t2r s ARG 58 CO 0.02 -1.77 1.42 0.08 -2.50 0.00 0.00 175.30 172.55 1t2r s VAL 59 N 3.37 3.99 -0.13 7.11 1.01 0.47 -4.44 120.40 131.78 1t2r s VAL 59 Ca 0.25 1.19 0.16 0.00 0.00 0.00 0.00 61.98 63.59 1t2r s VAL 59 Cb -0.13 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1t2r s VAL 59 CO 0.02 -0.13 1.10 -1.13 0.00 0.00 0.00 175.10 174.95 1t2r h ASN 60 N 8.85 0.00 0.00 3.32 -0.73 -1.67 0.57 115.58 125.93 1t2r h ASN 60 Ca -0.31 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.86 1t2r h ASN 60 Cb 1.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.72 1t2r h ASN 60 CO 0.97 0.55 0.00 0.61 -0.37 0.00 0.00 177.43 179.19 1t2r n GLY 61 N 1.32 -0.79 3.21 1.57 0.00 -1.00 -4.01 105.19 105.49 1t2r n GLY 61 Ca -0.04 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 2.45 0.31 0.99 1.43 -1.26 -0.33 118.68 122.26 1t2r s LEU 62 Ca 0.00 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1t2r s LEU 62 Cb 0.00 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 1t2r s LEU 62 CO 0.00 -0.44 0.54 -0.55 0.23 0.00 0.00 176.35 176.13 1t2r s SER 63 N -3.11 6.37 0.00 2.29 0.15 -1.05 -4.66 113.70 113.68 1t2r s SER 63 Ca 0.16 0.58 0.28 0.00 0.70 0.00 0.00 55.95 57.66 1t2r s SER 63 Cb 0.05 -2.09 1.06 0.00 -1.71 0.00 0.00 66.02 63.33 1t2r s SER 63 CO -0.01 -0.23 1.77 -1.14 1.20 0.00 0.00 173.24 174.82 1t2r n ARG 64 N -1.29 0.50 -4.47 5.44 3.00 -1.26 -4.67 116.66 113.90 1t2r n ARG 64 Ca -0.03 -0.19 -0.22 0.00 -0.00 0.00 0.00 57.85 57.41 1t2r n ARG 64 Cb 0.55 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.37 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 -2.63 1.29 0.66 5.13 0.00 -1.26 -5.08 121.76 119.86 1t2r s ALA 65 Ca 0.23 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 1t2r s ALA 65 Cb 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1t2r s ALA 65 CO 0.52 0.27 1.09 -2.14 0.00 0.00 0.00 175.76 175.50 1t2r s PRO 66 N -1.00 2.86 0.00 0.00 0.02 -1.26 -4.39 135.00 131.24 1t2r s PRO 66 Ca 0.03 1.28 0.13 0.00 0.02 0.00 0.00 61.00 62.47 1t2r s PRO 66 Cb -0.08 -1.97 0.61 0.00 0.02 0.00 0.00 34.50 33.09 1t2r s PRO 66 CO 0.01 -1.19 1.36 0.00 -0.33 0.00 0.00 177.00 176.85 1t2r n ALA 67 N -2.52 1.69 1.22 -1.55 0.00 -1.09 -1.23 120.51 117.02 1t2r n ALA 67 Ca 0.10 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1t2r n ALA 67 Cb 0.52 -1.21 0.46 0.00 0.00 0.00 0.00 19.45 19.23 1t2r n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t2r n SER 68 N -1.37 0.59 -0.07 0.00 2.88 -1.25 -1.46 113.62 112.95 1t2r n SER 68 Ca 0.05 -0.48 -0.11 0.00 -1.33 0.00 0.00 58.87 57.00 1t2r n SER 68 Cb 0.12 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.05 2.41 -4.76 -3.46 2.88 -0.37 -4.91 113.62 104.37 1t2r n SER 69 Ca 0.11 -0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.24 1t2r n SER 69 Cb 0.32 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 -2.27 4.39 0.16 -1.46 0.41 -1.13 -4.91 118.70 113.88 1t2r s GLU 70 Ca -0.19 2.16 0.09 0.00 -0.41 0.00 0.00 54.97 56.61 1t2r s GLU 70 Cb 0.06 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 29.26 1t2r s GLU 70 CO 0.30 -0.17 -0.20 0.95 -0.49 0.00 0.00 175.26 175.66 1t2r s THR 71 N -0.91 1.92 0.03 3.63 -4.23 -1.26 -1.18 115.64 113.65 1t2r s THR 71 Ca 0.50 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 1t2r s THR 71 Cb -0.39 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 1t2r s THR 71 CO 0.49 -0.23 -0.11 0.72 -0.54 0.00 0.00 174.62 174.95 1t2r s PHE 72 N -1.82 0.93 -0.48 3.99 -0.71 -0.34 -4.94 117.98 114.61 1t2r s PHE 72 Ca 0.15 -0.36 -0.19 0.00 -1.04 0.00 0.00 56.93 55.50 1t2r s PHE 72 Cb -0.07 -0.55 0.05 0.00 -1.21 0.00 0.00 43.02 41.23 1t2r s PHE 72 CO 0.07 -0.01 0.57 -2.00 -1.34 0.00 0.00 175.22 172.51 1t2r s GLU 73 N -1.13 3.13 -0.24 1.99 2.12 -1.26 -2.27 118.70 121.03 1t2r s GLU 73 Ca -0.02 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.45 1t2r s GLU 73 Cb -0.08 -4.05 0.01 0.00 0.26 0.00 0.00 34.13 30.27 1t2r s GLU 73 CO 0.01 -1.10 -0.05 -1.58 -0.54 0.00 0.00 175.26 172.00 1t2r s HIS 74 N 2.47 3.02 -1.15 5.30 2.46 0.79 -4.54 115.29 123.65 1t2r s HIS 74 Ca 0.15 -1.32 0.00 0.00 0.47 0.00 0.00 55.06 54.35 1t2r s HIS 74 Cb -0.18 -2.08 0.00 0.00 -0.13 0.00 0.00 32.58 30.18 1t2r s HIS 74 CO 0.13 -0.67 0.00 -3.47 -2.47 0.00 0.00 174.74 168.26 1t2r n ASP 75 N 4.72 -4.12 0.00 9.88 2.03 -1.26 -1.12 116.55 126.69 1t2r n ASP 75 Ca -0.17 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1t2r n ASP 75 Cb 0.48 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 1t2r n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2r n GLY 76 N -1.09 0.73 3.49 0.27 0.00 -1.26 -5.00 105.19 102.33 1t2r n GLY 76 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1t2r n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t2r s LYS 77 N -0.12 3.72 -0.38 1.61 2.47 -0.27 -5.05 119.74 121.71 1t2r s LYS 77 Ca 0.00 -0.46 -0.17 0.00 -1.56 0.00 0.00 55.97 53.77 1t2r s LYS 77 Cb 0.00 -3.20 0.01 0.00 -1.46 0.00 0.00 37.83 33.18 1t2r s LYS 77 CO 0.00 0.00 0.47 0.15 0.16 0.00 0.00 175.35 176.13 1t2r s LYS 78 N 1.07 3.38 0.11 4.03 1.02 -1.26 -0.15 119.74 127.94 1t2r s LYS 78 Ca 0.03 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 55.64 1t2r s LYS 78 Cb -0.14 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1t2r s LYS 78 CO 0.03 -0.73 -0.20 0.14 -0.92 0.00 0.00 175.35 173.66 1t2r s VAL 79 N 2.26 1.72 0.73 3.17 -7.23 -0.96 -4.94 120.40 115.15 1t2r s VAL 79 Ca 0.15 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 58.60 1t2r s VAL 79 Cb -0.16 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 35.20 1t2r s VAL 79 CO 0.14 -0.12 1.07 0.42 -0.31 0.00 0.00 175.10 176.30 1t2r s THR 80 N -1.35 3.68 0.25 5.32 -4.23 -1.26 -1.20 115.64 116.85 1t2r s THR 80 Ca 0.08 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1t2r s THR 80 Cb -0.09 -3.32 0.23 0.00 1.34 0.00 0.00 72.50 70.66 1t2r s THR 80 CO 0.05 -0.71 1.82 0.40 -0.54 0.00 0.00 174.62 175.63 1t2r h ILE 81 N -0.83 0.91 0.00 2.99 1.08 -0.74 0.37 117.51 121.29 1t2r h ILE 81 Ca -0.45 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 63.70 1t2r h ILE 81 Cb 1.23 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1t2r h ILE 81 CO 0.58 0.15 -0.16 0.00 -0.69 0.00 0.00 178.15 178.04 1t2r h ALA 82 N 1.47 1.56 -0.02 1.87 0.00 -1.54 -1.70 119.26 120.91 1t2r h ALA 82 Ca 0.42 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 1t2r h ALA 82 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1t2r h ALA 82 CO -0.25 0.20 -0.72 0.77 0.00 0.00 0.00 179.25 179.24 1t2r h SER 83 N 0.00 0.18 -0.12 0.00 0.02 -1.23 -0.21 113.55 112.19 1t2r h SER 83 Ca -0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1t2r h SER 83 Cb 0.32 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1t2r h SER 83 CO 0.02 0.84 0.04 0.22 -1.14 0.00 0.00 176.83 176.82 1t2r h TYR 84 N 0.10 0.18 -0.42 3.45 3.20 -0.69 -0.05 116.97 122.75 1t2r h TYR 84 Ca -0.02 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 1t2r h TYR 84 Cb 1.28 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1t2r h TYR 84 CO 0.02 0.29 -0.20 0.74 -1.64 0.00 0.00 178.16 177.37 1t2r h PHE 85 N 0.02 0.94 -0.57 -3.82 0.04 -1.48 -2.92 116.94 109.15 1t2r h PHE 85 Ca 0.04 -0.21 0.01 0.00 2.80 0.00 0.00 57.97 60.61 1t2r h PHE 85 Cb 0.19 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1t2r h PHE 85 CO -0.01 0.96 0.38 1.25 -0.60 0.00 0.00 178.31 180.28 1t2r h HIS 86 N 0.73 0.71 0.00 -0.55 2.76 -0.66 0.83 115.15 118.96 1t2r h HIS 86 Ca 0.10 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1t2r h HIS 86 Cb 0.73 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 1t2r h HIS 86 CO 0.04 0.44 -0.10 1.03 -1.30 0.00 0.00 177.93 178.04 1t2r h SER 87 N 0.76 0.00 -0.62 3.26 0.87 -0.80 -0.67 113.55 116.35 1t2r h SER 87 Ca 0.21 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.48 1t2r h SER 87 Cb -0.07 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 61.71 1t2r h SER 87 CO -0.05 0.10 0.37 0.54 -0.53 0.00 0.00 176.83 177.26 1t2r n ARG 88 N -3.76 2.13 -3.15 2.24 3.00 0.22 -4.85 116.66 112.49 1t2r n ARG 88 Ca -0.02 -2.03 -0.18 0.00 -0.01 0.00 0.00 57.85 55.60 1t2r n ARG 88 Cb 0.21 -1.83 0.05 0.00 0.00 0.00 0.00 32.46 30.89 1t2r n ARG 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1t2r n ASN 89 N -0.44 -5.34 -3.59 0.55 3.02 -0.26 -4.54 115.26 104.66 1t2r n ASN 89 Ca 0.37 -0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 54.29 1t2r n ASN 89 Cb 1.22 -4.04 -0.11 0.00 -0.61 0.00 0.00 39.78 36.24 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 -3.17 1.80 -0.23 3.10 6.14 -0.81 -4.99 117.35 119.20 1t2r s TYR 90 Ca 0.37 -2.48 -0.29 0.00 0.64 0.00 0.00 57.07 55.31 1t2r s TYR 90 Cb -0.16 -1.54 -0.00 0.00 0.42 0.00 0.00 41.96 40.67 1t2r s TYR 90 CO 0.46 -0.76 1.25 -1.25 0.64 0.00 0.00 175.55 175.89 1t2r s PRO 91 N -0.07 4.10 0.28 4.97 0.04 -1.26 -2.40 135.00 140.66 1t2r s PRO 91 Ca 0.26 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1t2r s PRO 91 Cb -0.08 -3.80 -0.11 0.00 0.04 0.00 0.00 34.50 30.55 1t2r s PRO 91 CO -0.12 -0.87 1.54 -0.51 0.04 0.00 0.00 177.00 177.08 1t2r s LEU 92 N 3.83 4.36 0.30 -3.56 1.43 -1.26 -4.89 118.68 118.89 1t2r s LEU 92 Ca 0.54 2.86 0.16 0.00 -1.03 0.00 0.00 54.13 56.66 1t2r s LEU 92 Cb -0.19 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.49 1t2r s LEU 92 CO 0.17 -0.84 1.45 0.11 0.23 0.00 0.00 176.35 177.48 1t2r h LYS 93 N 4.81 0.00 -2.48 1.70 1.57 -2.02 -3.37 116.57 116.79 1t2r h LYS 93 Ca -0.47 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.72 1t2r h LYS 93 Cb 1.22 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.13 1t2r h LYS 93 CO 0.78 0.43 -0.80 1.19 -0.57 0.00 0.00 179.45 180.48 1t2r n PHE 94 N -3.20 1.37 0.15 -1.35 3.72 -1.26 -4.86 117.46 112.03 1t2r n PHE 94 Ca 0.02 -3.83 0.07 0.00 -0.05 0.00 0.00 57.45 53.66 1t2r n PHE 94 Cb 0.71 -0.29 0.38 0.00 -0.94 0.00 0.00 39.48 39.35 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 1.90 0.09 -0.26 -1.08 -0.02 -1.26 -1.79 135.00 132.58 1t2r n PRO 95 Ca 0.25 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 62.32 1t2r n PRO 95 Cb 0.44 -1.79 0.13 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.98 2.12 -2.75 -0.52 1.13 -1.26 -3.75 117.38 110.37 1t2r n GLN 96 Ca -0.00 -1.02 -0.43 0.00 -1.94 0.00 0.00 57.00 53.61 1t2r n GLN 96 Cb 0.05 -1.61 -0.03 0.00 0.11 0.00 0.00 30.24 28.76 1t2r n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1t2r s LEU 97 N -0.95 4.08 -0.37 1.08 1.43 -0.74 -3.91 118.68 119.30 1t2r s LEU 97 Ca 0.18 1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 54.19 1t2r s LEU 97 Cb 0.13 -3.40 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1t2r s LEU 97 CO 0.07 -0.63 1.28 -1.00 0.23 0.00 0.00 176.35 176.30 1t2r s HIS 98 N 3.10 2.67 0.67 0.29 3.76 -1.26 -2.69 115.29 121.84 1t2r s HIS 98 Ca 0.40 0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 56.05 1t2r s HIS 98 Cb -0.15 -4.12 0.04 0.00 1.11 0.00 0.00 32.58 29.46 1t2r s HIS 98 CO 0.07 -1.61 1.00 0.00 -0.85 0.00 0.00 174.74 173.35 1t2r s LEU 100 N -5.19 4.30 -0.99 0.00 1.43 0.58 -2.54 118.68 116.27 1t2r s LEU 100 Ca 0.58 2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 55.54 1t2r s LEU 100 Cb -0.11 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.64 1t2r s LEU 100 CO 0.46 -0.78 1.33 0.21 0.23 0.00 0.00 176.35 177.81 1t2r s ASN 101 N 2.24 6.54 0.00 2.29 2.47 0.55 -0.17 114.94 128.87 1t2r s ASN 101 Ca 0.65 -1.65 0.00 0.00 0.42 0.00 0.00 52.86 52.28 1t2r s ASN 101 Cb -0.30 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 36.99 1t2r s ASN 101 CO 0.25 -1.35 0.00 0.55 -3.72 0.00 0.00 177.10 172.83 1t2r n VAL 102 N 6.39 0.00 -2.06 -5.21 3.14 0.36 -2.29 118.33 118.66 1t2r n VAL 102 Ca 0.30 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.68 1t2r n VAL 102 Cb 0.50 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1t2r n VAL 102 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t2r n GLY 103 N 5.00 0.22 2.76 7.55 0.00 -1.25 -2.18 105.19 117.28 1t2r n GLY 103 Ca 0.00 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 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 1.25 1.56 -0.13 1.61 7.64 -0.37 -4.92 113.62 120.26 1t2r n SER 104 Ca 0.00 -2.77 0.08 0.00 1.01 0.00 0.00 58.87 57.19 1t2r n SER 104 Cb 0.00 0.73 0.41 0.00 -1.01 0.00 0.00 64.21 64.33 1t2r n SER 104 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1t2r h SER 105 N 1.25 0.55 1.67 6.43 4.64 -2.03 -0.53 113.55 125.54 1t2r h SER 105 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1t2r h SER 105 Cb 0.99 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1t2r h SER 105 CO 0.44 0.35 -0.22 0.16 -0.87 0.00 0.00 176.83 176.70 1t2r h ILE 106 N 0.63 0.00 -3.04 0.95 3.07 -1.99 -3.39 117.51 113.73 1t2r h ILE 106 Ca 0.29 -0.89 -0.62 0.00 1.55 0.00 0.00 64.86 65.19 1t2r h ILE 106 Cb 0.31 1.77 -0.41 0.00 -0.27 0.00 0.00 36.82 38.23 1t2r h ILE 106 CO -0.09 0.00 -0.68 -0.75 -1.05 0.00 0.00 178.15 175.58 1t2r s LYS 107 N -3.22 1.86 -0.94 0.16 2.47 -0.21 -5.03 119.74 114.83 1t2r s LYS 107 Ca 0.06 -2.69 -0.20 0.00 -1.56 0.00 0.00 55.97 51.58 1t2r s LYS 107 Cb 0.07 -2.87 0.10 0.00 -1.46 0.00 0.00 37.83 33.68 1t2r s LYS 107 CO 0.68 -1.23 1.22 -1.12 0.16 0.00 0.00 175.35 175.06 1t2r s SER 108 N -0.54 6.57 -0.12 1.43 0.01 -1.20 -1.24 113.70 118.61 1t2r s SER 108 Ca 0.22 -1.82 0.02 0.00 1.31 0.00 0.00 55.95 55.68 1t2r s SER 108 Cb -0.13 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1t2r s SER 108 CO -0.09 -1.21 -0.18 0.27 0.41 0.00 0.00 173.24 172.44 1t2r s ILE 109 N 3.43 2.63 -0.33 1.44 -4.36 -0.93 -4.97 121.20 118.11 1t2r s ILE 109 Ca 0.36 -0.81 -0.17 0.00 -0.26 0.00 0.00 60.65 59.77 1t2r s ILE 109 Cb -0.04 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.59 1t2r s ILE 109 CO -0.09 0.54 0.46 -0.76 0.24 0.00 0.00 174.94 175.33 1t2r s LEU 110 N 0.36 4.28 -0.24 0.37 1.02 -1.23 -0.49 118.68 122.76 1t2r s LEU 110 Ca -0.14 0.04 -0.06 0.00 0.02 0.00 0.00 54.13 53.99 1t2r s LEU 110 Cb -0.17 -2.52 -0.02 0.00 0.02 0.00 0.00 46.19 43.50 1t2r s LEU 110 CO 0.07 -0.38 0.03 -0.76 0.02 0.00 0.00 176.35 175.32 1t2r s LEU 111 N 2.26 3.27 -0.19 1.79 1.43 0.77 -4.74 118.68 123.25 1t2r s LEU 111 Ca 0.17 -0.32 -0.36 0.00 -1.03 0.00 0.00 54.13 52.59 1t2r s LEU 111 Cb -0.16 -1.85 -0.13 0.00 0.03 0.00 0.00 46.19 44.09 1t2r s LEU 111 CO 0.12 -0.04 1.90 -2.65 0.23 0.00 0.00 176.35 175.90 1t2r n PRO 112 N 4.87 1.68 0.30 1.29 -0.02 -1.26 -0.31 135.00 141.56 1t2r n PRO 112 Ca -0.17 0.60 0.18 0.00 -2.02 0.00 0.00 63.50 62.09 1t2r n PRO 112 Cb 0.51 -2.46 0.92 0.00 -0.02 0.00 0.00 33.50 32.45 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 5.69 0.17 -0.08 4.25 2.10 -1.93 -1.93 117.51 125.77 1t2r h ILE 113 Ca -0.45 -0.30 0.02 0.00 1.08 0.00 0.00 64.86 65.22 1t2r h ILE 113 Cb 1.29 1.25 -0.00 0.00 -1.09 0.00 0.00 36.82 38.27 1t2r h ILE 113 CO 0.96 0.03 0.08 -0.08 -1.08 0.00 0.00 178.15 178.07 1t2r h GLU 114 N 0.00 0.00 -0.31 2.19 4.81 -1.96 -1.88 114.58 117.43 1t2r h GLU 114 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1t2r h GLU 114 Cb 0.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1t2r h GLU 114 CO 0.00 0.00 0.01 1.28 -0.73 0.00 0.00 179.01 179.57 1t2r n LEU 115 N -4.02 4.15 -4.40 1.64 4.77 -0.73 -4.91 117.00 113.50 1t2r n LEU 115 Ca -0.01 -3.11 -0.33 0.00 -0.03 0.00 0.00 56.01 52.53 1t2r n LEU 115 Cb 0.19 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 1t2r n LEU 115 CO 0.29 0.74 -0.44 0.00 -1.33 0.00 0.00 177.39 176.65 1t2r s SER 117 N 0.10 5.06 -0.34 0.00 0.15 0.37 -0.57 113.70 118.47 1t2r s SER 117 Ca -0.06 -1.27 -0.25 0.00 0.70 0.00 0.00 55.95 55.08 1t2r s SER 117 Cb -0.15 -1.77 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1t2r s SER 117 CO 0.04 -0.30 0.88 -0.51 1.20 0.00 0.00 173.24 174.55 1t2r s ILE 118 N 1.30 4.67 0.47 6.45 2.07 0.14 0.07 121.20 136.38 1t2r s ILE 118 Ca -0.03 1.23 -0.22 0.00 -1.41 0.00 0.00 60.65 60.21 1t2r s ILE 118 Cb -0.20 -4.26 -0.07 0.00 0.13 0.00 0.00 42.46 38.06 1t2r s ILE 118 CO 0.00 -0.41 1.14 -1.61 -1.91 0.00 0.00 174.94 172.15 1t2r s GLU 119 N 3.25 3.73 0.14 3.50 2.02 -1.24 -0.99 118.70 129.12 1t2r s GLU 119 Ca 0.36 1.68 -0.14 0.00 0.02 0.00 0.00 54.97 56.90 1t2r s GLU 119 Cb -0.13 -2.32 0.01 0.00 0.10 0.00 0.00 34.13 31.79 1t2r s GLU 119 CO 0.16 -0.55 1.63 0.93 0.02 0.00 0.00 175.26 177.44 1t2r h GLU 120 N 1.90 0.76 0.00 1.61 5.08 -1.93 -3.44 114.58 118.57 1t2r h GLU 120 Ca -0.49 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1t2r h GLU 120 Cb 1.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1t2r h GLU 120 CO 0.60 0.77 0.00 0.41 -1.00 0.00 0.00 179.01 179.79 1t2r n GLY 121 N -0.53 -0.11 0.11 -3.84 0.00 -1.26 -5.04 105.19 94.53 1t2r n GLY 121 Ca 0.01 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 0.08 0.00 1.61 1.08 -1.96 -3.54 115.11 112.37 1t2r h GLN 122 Ca 0.00 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1t2r h GLN 122 Cb 0.00 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1t2r h GLN 122 CO 0.00 1.07 0.00 0.00 -0.95 0.00 0.00 178.83 178.95