#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5c s GLU 2 N 0.00 4.37 0.60 1.64 2.12 -1.26 -4.99 118.70 121.19 1r5c s GLU 2 Ca 0.00 2.18 -0.16 0.00 0.36 0.00 0.00 54.97 57.34 1r5c s GLU 2 Cb 0.00 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 1r5c s GLU 2 CO 0.00 -0.20 1.09 -1.54 -0.54 0.00 0.00 175.26 174.07 1r5c s SER 3 N -0.28 5.54 0.19 -1.70 1.04 -1.26 -4.85 113.70 112.38 1r5c s SER 3 Ca 0.51 1.96 -0.11 0.00 0.48 0.00 0.00 55.95 58.79 1r5c s SER 3 Cb -0.39 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.36 1r5c s SER 3 CO 0.49 -1.34 1.80 0.00 0.98 0.00 0.00 173.24 175.17 1r5c h ALA 4 N 0.48 0.78 -0.82 5.32 0.00 -1.98 0.12 119.26 123.16 1r5c h ALA 4 Ca -0.48 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1r5c h ALA 4 Cb 1.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1r5c h ALA 4 CO 0.56 0.01 0.54 0.00 0.00 0.00 0.00 179.25 180.36 1r5c h ALA 5 N 1.30 1.04 -0.33 0.00 0.00 -2.00 -0.83 119.26 118.44 1r5c h ALA 5 Ca 0.26 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1r5c h ALA 5 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r5c h ALA 5 CO -0.15 0.44 -0.40 0.00 0.00 0.00 0.00 179.25 179.13 1r5c h ALA 6 N 1.30 0.66 -0.70 0.00 0.00 -1.82 -2.52 119.26 116.18 1r5c h ALA 6 Ca 0.30 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1r5c h ALA 6 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1r5c h ALA 6 CO -0.07 0.67 0.32 -0.22 0.00 0.00 0.00 179.25 179.95 1r5c h LYS 7 N 0.66 1.01 -0.55 0.00 3.64 -0.40 -1.54 116.57 119.40 1r5c h LYS 7 Ca 0.05 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1r5c h LYS 7 Cb 0.97 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1r5c h LYS 7 CO 0.09 0.80 -0.04 0.35 -2.27 0.00 0.00 179.45 178.38 1r5c h PHE 8 N 1.00 1.11 -0.31 1.91 3.04 -0.96 -1.67 116.94 121.06 1r5c h PHE 8 Ca 0.24 -0.21 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1r5c h PHE 8 Cb 0.13 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1r5c h PHE 8 CO 0.01 1.01 0.06 0.93 -2.02 0.00 0.00 178.31 178.30 1r5c h GLU 9 N 0.89 0.50 -0.58 1.11 5.08 -1.02 0.61 114.58 121.16 1r5c h GLU 9 Ca 0.15 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1r5c h GLU 9 Cb 0.59 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1r5c h GLU 9 CO 0.04 0.59 0.25 -0.09 -1.00 0.00 0.00 179.01 178.80 1r5c h ARG 10 N 0.34 0.85 0.00 2.33 2.43 -1.25 -0.72 114.38 118.37 1r5c h ARG 10 Ca 0.10 -0.14 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 1r5c h ARG 10 Cb 0.32 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1r5c h ARG 10 CO 0.00 0.71 -1.06 1.96 -1.51 0.00 0.00 179.97 180.07 1r5c h GLN 11 N 0.79 0.00 0.00 0.20 4.20 -1.29 -3.41 115.11 115.60 1r5c h GLN 11 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1r5c h GLN 11 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1r5c h GLN 11 CO -0.02 0.76 0.00 0.72 -0.67 0.00 0.00 178.83 179.62 1r5c n HIS 12 N -3.24 0.00 -4.12 2.96 8.25 0.20 -5.05 115.22 114.23 1r5c n HIS 12 Ca -0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.08 1r5c n HIS 12 Cb 0.91 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.91 1r5c n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1r5c s MET 13 N -0.32 3.83 -0.40 -0.41 -1.94 -0.28 -4.99 119.30 114.79 1r5c s MET 13 Ca 0.00 -0.42 0.10 0.00 -1.71 0.00 0.00 55.69 53.65 1r5c s MET 13 Cb 0.00 -3.12 0.31 0.00 2.01 0.00 0.00 34.83 34.03 1r5c s MET 13 CO 0.00 0.20 0.73 -3.47 -0.01 0.00 0.00 175.02 172.47 1r5c n ASP 14 N 3.71 -0.08 -4.77 3.03 2.03 -1.26 -4.82 116.55 114.38 1r5c n ASP 14 Ca -0.17 -3.02 -0.39 0.00 0.52 0.00 0.00 54.79 51.73 1r5c n ASP 14 Cb 0.52 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 1r5c n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1r5c s SER 15 N -1.84 6.86 -1.33 1.67 0.01 -1.26 -4.01 113.70 113.80 1r5c s SER 15 Ca 0.36 2.33 -0.03 0.00 1.31 0.00 0.00 55.95 59.92 1r5c s SER 15 Cb 0.28 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.90 1r5c s SER 15 CO -0.10 -0.44 0.82 0.61 0.41 0.00 0.00 173.24 174.55 1r5c n GLY 16 N 0.82 -0.35 3.44 3.44 0.00 -1.26 -4.98 105.19 106.30 1r5c n GLY 16 Ca 0.02 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1r5c n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r5c s ASN 17 N -4.14 -0.66 -0.12 1.61 2.47 -1.26 -5.14 114.94 107.70 1r5c s ASN 17 Ca 0.14 1.25 -0.18 0.00 0.42 0.00 0.00 52.86 54.49 1r5c s ASN 17 Cb -0.07 1.79 -0.04 0.00 -1.45 0.00 0.00 41.25 41.48 1r5c s ASN 17 CO 0.80 -0.23 0.47 -0.94 -3.72 0.00 0.00 177.10 173.48 1r5c s SER 18 N 2.74 6.67 0.52 -4.21 1.04 -1.26 -4.95 113.70 114.25 1r5c s SER 18 Ca -0.03 0.80 0.21 0.00 0.48 0.00 0.00 55.95 57.40 1r5c s SER 18 Cb -0.12 -2.28 1.37 0.00 0.10 0.00 0.00 66.02 65.09 1r5c s SER 18 CO -0.16 0.00 2.12 -0.65 0.98 0.00 0.00 173.24 175.54 1r5c h PRO 19 N 6.72 0.00 -2.87 4.02 0.11 -2.01 -3.15 132.00 134.82 1r5c h PRO 19 Ca -0.41 0.00 -0.79 0.00 0.11 0.00 0.00 66.00 64.91 1r5c h PRO 19 Cb 1.18 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.06 1r5c h PRO 19 CO 0.76 0.07 1.31 -1.13 -0.21 0.00 0.00 178.00 178.80 1r5c n SER 20 N -4.14 6.51 -3.63 -2.05 3.41 -1.26 -4.92 113.62 107.54 1r5c n SER 20 Ca -0.03 -3.37 -0.15 0.00 -0.26 0.00 0.00 58.87 55.06 1r5c n SER 20 Cb 0.16 -1.31 -0.14 0.00 -0.26 0.00 0.00 64.21 62.66 1r5c n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r5c s SER 21 N -0.87 0.60 0.32 4.04 0.15 -1.19 -5.02 113.70 111.71 1r5c s SER 21 Ca 0.37 0.41 0.17 0.00 0.70 0.00 0.00 55.95 57.60 1r5c s SER 21 Cb 0.10 0.56 0.29 0.00 -1.71 0.00 0.00 66.02 65.26 1r5c s SER 21 CO 0.01 -0.25 1.55 0.28 1.20 0.00 0.00 173.24 176.03 1r5c h SER 22 N 8.31 0.00 0.76 5.45 0.02 -1.91 -3.22 113.55 122.95 1r5c h SER 22 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1r5c h SER 22 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1r5c h SER 22 CO 0.16 0.44 0.00 0.77 -1.14 0.00 0.00 176.83 177.06 1r5c h SER 23 N 0.00 0.00 1.15 3.07 4.64 -1.95 -3.11 113.55 117.35 1r5c h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r5c h SER 23 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1r5c h SER 23 CO 0.06 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.82 1r5c n ASN 24 N -2.79 0.28 -0.31 4.97 2.85 -1.22 -4.33 115.26 114.70 1r5c n ASN 24 Ca 0.00 0.53 -0.11 0.00 -0.11 0.00 0.00 54.58 54.89 1r5c n ASN 24 Cb 0.24 -0.60 -0.09 0.00 1.24 0.00 0.00 39.78 40.57 1r5c n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1r5c h TYR 25 N 0.00 -1.76 -0.64 1.20 3.20 -1.76 -2.21 116.97 115.00 1r5c h TYR 25 Ca 0.00 0.11 0.09 0.00 3.14 0.00 0.00 58.73 62.07 1r5c h TYR 25 Cb 0.57 0.87 -0.07 0.00 1.54 0.00 0.00 36.73 39.64 1r5c h TYR 25 CO 0.00 -0.41 0.28 0.00 -1.64 0.00 0.00 178.16 176.38 1r5c h ASN 27 N 0.49 -0.17 -0.20 0.00 2.35 -1.69 0.22 115.58 116.57 1r5c h ASN 27 Ca 0.32 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 56.04 1r5c h ASN 27 Cb 0.37 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1r5c h ASN 27 CO -0.28 -0.06 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.14 1r5c h LEU 28 N 0.01 0.55 -0.46 1.61 3.38 -1.21 -2.71 115.31 116.48 1r5c h LEU 28 Ca 0.09 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1r5c h LEU 28 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1r5c h LEU 28 CO -0.20 0.93 0.15 0.24 0.09 0.00 0.00 178.44 179.65 1r5c h MET 29 N 0.19 0.70 -0.55 1.13 2.86 -0.62 0.37 114.93 119.00 1r5c h MET 29 Ca 0.03 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1r5c h MET 29 Cb 0.78 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1r5c h MET 29 CO 0.06 0.67 0.29 0.52 1.06 0.00 0.00 176.91 179.50 1r5c h MET 30 N 0.60 0.77 0.11 1.72 2.86 -0.63 0.51 114.93 120.86 1r5c h MET 30 Ca 0.15 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1r5c h MET 30 Cb 0.25 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1r5c h MET 30 CO -0.01 0.58 -0.05 0.00 1.06 0.00 0.00 176.91 178.49 1r5c n ARG 33 N -4.51 2.09 -3.12 0.00 5.12 0.15 -4.92 116.66 111.47 1r5c n ARG 33 Ca 0.15 -1.01 -0.22 0.00 -1.93 0.00 0.00 57.85 54.85 1r5c n ARG 33 Cb 0.24 -1.59 0.04 0.00 -1.16 0.00 0.00 32.46 29.99 1r5c n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1r5c n LYS 34 N 0.21 -5.40 -0.45 5.56 4.76 -0.90 -4.93 118.16 117.02 1r5c n LYS 34 Ca 0.09 0.85 0.08 0.00 -2.87 0.00 0.00 58.31 56.46 1r5c n LYS 34 Cb 0.46 -5.65 0.27 0.00 -1.84 0.00 0.00 35.03 28.26 1r5c n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1r5c n MET 35 N -4.09 3.26 -0.56 1.97 2.81 -0.27 -4.41 117.12 115.83 1r5c n MET 35 Ca -0.08 -2.67 0.06 0.00 -1.81 0.00 0.00 57.70 53.19 1r5c n MET 35 Cb 0.60 -1.74 0.11 0.00 -0.71 0.00 0.00 33.22 31.48 1r5c n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1r5c n THR 36 N 0.20 1.24 -3.94 2.03 -2.24 -1.24 -2.09 114.28 108.24 1r5c n THR 36 Ca 0.20 -1.83 -0.35 0.00 -2.27 0.00 0.00 64.05 59.81 1r5c n THR 36 Cb 0.80 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.07 1r5c n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1r5c s GLN 37 N -1.86 3.98 0.00 -0.78 -0.21 -1.26 -4.32 119.66 115.22 1r5c s GLN 37 Ca 0.27 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.34 1r5c s GLN 37 Cb 0.26 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 31.02 1r5c s GLN 37 CO -0.04 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1r5c n GLY 38 N 3.43 2.13 3.65 3.09 0.00 -1.26 -4.86 105.19 111.37 1r5c n GLY 38 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1r5c n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r5c s LYS 39 N 0.00 0.61 -0.08 1.61 -2.85 -1.26 -5.09 119.74 112.68 1r5c s LYS 39 Ca 0.00 -0.33 -0.27 0.00 -1.00 0.00 0.00 55.97 54.37 1r5c s LYS 39 Cb 0.00 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.95 1r5c s LYS 39 CO 0.00 -0.28 0.87 0.00 0.10 0.00 0.00 175.35 176.05 1r5c s LYS 41 N 1.42 4.21 0.15 0.00 2.20 -0.89 -4.92 119.74 121.92 1r5c s LYS 41 Ca 0.44 1.81 -0.24 0.00 -0.36 0.00 0.00 55.97 57.62 1r5c s LYS 41 Cb -0.18 -3.83 0.03 0.00 -1.51 0.00 0.00 37.83 32.33 1r5c s LYS 41 CO 0.20 -0.76 1.61 -1.35 -0.36 0.00 0.00 175.35 174.68 1r5c h PRO 42 N 8.64 -0.29 -4.40 4.03 0.11 -1.94 -3.44 132.00 134.71 1r5c h PRO 42 Ca -0.30 0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.54 1r5c h PRO 42 Cb 1.13 0.07 -0.24 0.00 0.11 0.00 0.00 31.00 32.06 1r5c h PRO 42 CO 0.97 -0.19 -0.74 0.08 -0.21 0.00 0.00 178.00 177.91 1r5c s VAL 43 N -6.01 0.44 -0.28 3.15 1.01 -1.26 -2.10 120.40 115.35 1r5c s VAL 43 Ca -0.15 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1r5c s VAL 43 Cb 0.12 -0.46 0.10 0.00 0.00 0.00 0.00 36.38 36.14 1r5c s VAL 43 CO 0.67 -0.18 0.83 0.21 0.00 0.00 0.00 175.10 176.63 1r5c s ASN 44 N -0.94 -0.71 -0.10 3.32 2.47 -0.59 -5.03 114.94 113.36 1r5c s ASN 44 Ca -0.05 1.22 -0.03 0.00 0.42 0.00 0.00 52.86 54.41 1r5c s ASN 44 Cb -0.06 1.27 -0.04 0.00 -1.45 0.00 0.00 41.25 40.97 1r5c s ASN 44 CO 0.00 -0.20 0.04 -0.89 -3.72 0.00 0.00 177.10 172.33 1r5c s THR 45 N 1.07 4.62 -0.11 -5.21 2.01 -1.26 -1.64 115.64 115.11 1r5c s THR 45 Ca -0.05 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 1r5c s THR 45 Cb -0.05 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1r5c s THR 45 CO -0.12 0.60 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 1r5c s PHE 46 N -0.83 2.86 -0.18 4.92 0.08 0.10 -4.95 117.98 119.98 1r5c s PHE 46 Ca 0.13 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 1r5c s PHE 46 Cb -0.12 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1r5c s PHE 46 CO 0.03 -0.04 0.05 0.08 -0.10 0.00 0.00 175.22 175.24 1r5c s VAL 47 N 0.02 4.62 -1.82 -0.44 1.01 -1.26 0.20 120.40 122.74 1r5c s VAL 47 Ca -0.03 -0.09 0.24 0.00 0.00 0.00 0.00 61.98 62.10 1r5c s VAL 47 Cb -0.14 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1r5c s VAL 47 CO 0.04 0.46 1.23 1.41 0.00 0.00 0.00 175.10 178.23 1r5c n HIS 48 N 3.61 0.00 -1.33 5.22 -0.00 0.15 -4.95 115.22 117.92 1r5c n HIS 48 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.27 1r5c n HIS 48 Cb 0.52 -0.05 0.17 0.00 -0.00 0.00 0.00 29.99 30.64 1r5c n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1r5c s GLU 49 N -2.55 0.45 0.67 -0.41 0.41 -1.25 -5.00 118.70 111.02 1r5c s GLU 49 Ca 0.19 0.29 -0.15 0.00 -0.41 0.00 0.00 54.97 54.90 1r5c s GLU 49 Cb 0.18 -1.76 0.01 0.00 -1.78 0.00 0.00 34.13 30.78 1r5c s GLU 49 CO 0.59 -2.67 1.12 -1.54 -0.49 0.00 0.00 175.26 172.27 1r5c s SER 50 N -3.80 4.95 0.24 -0.19 1.04 -1.26 -4.90 113.70 109.79 1r5c s SER 50 Ca 0.66 2.04 -0.06 0.00 0.48 0.00 0.00 55.95 59.07 1r5c s SER 50 Cb -0.15 -2.56 0.27 0.00 0.10 0.00 0.00 66.02 63.68 1r5c s SER 50 CO 0.56 -1.74 1.91 0.25 0.98 0.00 0.00 173.24 175.20 1r5c h LEU 51 N -0.06 1.07 -0.53 2.42 5.85 -1.97 -2.52 115.31 119.57 1r5c h LEU 51 Ca -0.47 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.29 1r5c h LEU 51 Cb 1.25 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1r5c h LEU 51 CO 0.53 0.76 0.25 0.00 -0.34 0.00 0.00 178.44 179.64 1r5c h ALA 52 N 1.37 0.68 -0.19 1.25 0.00 -1.99 -0.52 119.26 119.85 1r5c h ALA 52 Ca 0.36 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1r5c h ALA 52 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1r5c h ALA 52 CO -0.10 -0.12 -0.16 -0.44 0.00 0.00 0.00 179.25 178.44 1r5c h ASP 53 N 0.48 0.31 -0.05 0.00 3.32 -1.85 -2.07 116.42 116.56 1r5c h ASP 53 Ca 0.24 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 57.03 1r5c h ASP 53 Cb 0.19 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1r5c h ASP 53 CO -0.19 0.50 -0.70 0.58 -1.72 0.00 0.00 179.24 177.70 1r5c h VAL 54 N 0.30 1.36 -0.39 -1.35 2.07 -1.02 -3.20 116.25 114.01 1r5c h VAL 54 Ca 0.06 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1r5c h VAL 54 Cb 0.47 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1r5c h VAL 54 CO 0.03 0.61 0.20 0.11 0.02 0.00 0.00 177.57 178.54 1r5c h LYS 55 N 0.16 0.54 0.00 1.57 1.57 -1.00 -1.69 116.57 117.72 1r5c h LYS 55 Ca -0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1r5c h LYS 55 Cb 1.37 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1r5c h LYS 55 CO 0.14 0.42 -0.01 0.00 -0.57 0.00 0.00 179.45 179.43 1r5c h ALA 56 N 1.67 1.01 0.00 3.86 0.00 -1.37 -2.46 119.26 121.97 1r5c h ALA 56 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1r5c h ALA 56 Cb 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r5c h ALA 56 CO -0.02 0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.45 1r5c h VAL 57 N 0.00 0.82 0.00 0.00 2.07 -1.33 -1.08 116.25 116.73 1r5c h VAL 57 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1r5c h VAL 57 Cb 0.33 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1r5c h VAL 57 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1r5c n SER 59 N -1.49 3.05 0.00 0.00 3.41 -0.41 -5.01 113.62 113.17 1r5c n SER 59 Ca 0.02 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 1r5c n SER 59 Cb 0.08 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1r5c n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r5c n GLN 60 N -0.37 3.18 -1.91 4.33 6.02 -0.61 -5.01 117.38 123.01 1r5c n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1r5c n GLN 60 Cb 0.61 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.85 1r5c n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1r5c s LYS 61 N 4.76 3.29 -0.03 -1.09 2.20 -1.16 -4.86 119.74 122.85 1r5c s LYS 61 Ca 0.00 1.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 1r5c s LYS 61 Cb 0.00 -4.24 -0.06 0.00 -1.51 0.00 0.00 37.83 32.03 1r5c s LYS 61 CO 0.00 -1.91 1.57 0.21 -0.36 0.00 0.00 175.35 174.86 1r5c s LYS 62 N 5.81 4.21 0.22 4.03 2.36 -1.26 0.09 119.74 135.21 1r5c s LYS 62 Ca 0.85 2.13 0.01 0.00 -2.55 0.00 0.00 55.97 56.40 1r5c s LYS 62 Cb -0.25 -3.81 -0.05 0.00 -1.05 0.00 0.00 37.83 32.68 1r5c s LYS 62 CO 0.34 -0.76 0.08 0.14 1.55 0.00 0.00 175.35 176.70 1r5c s VAL 63 N 3.38 0.45 0.14 4.02 -7.23 0.65 -4.92 120.40 116.89 1r5c s VAL 63 Ca 0.70 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.68 1r5c s VAL 63 Cb -0.33 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 1r5c s VAL 63 CO 0.28 -0.13 0.66 -0.89 -0.31 0.00 0.00 175.10 174.72 1r5c s THR 64 N -3.83 4.61 0.77 5.32 2.01 -1.26 -3.24 115.64 120.01 1r5c s THR 64 Ca 0.34 1.32 -0.11 0.00 0.31 0.00 0.00 61.69 63.55 1r5c s THR 64 Cb 0.07 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.70 1r5c s THR 64 CO 0.11 0.42 1.08 0.00 -0.69 0.00 0.00 174.62 175.54 1r5c h LYS 66 N -1.01 0.32 -0.24 0.00 1.57 -1.92 -1.85 116.57 113.43 1r5c h LYS 66 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1r5c h LYS 66 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1r5c h LYS 66 CO 0.57 0.25 0.00 0.27 -0.57 0.00 0.00 179.45 179.97 1r5c n ASN 67 N -4.46 1.13 0.00 0.86 0.23 -1.26 -4.90 115.26 106.86 1r5c n ASN 67 Ca 0.00 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 1r5c n ASN 67 Cb 0.10 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1r5c n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r5c n GLY 68 N 0.78 2.56 3.73 4.83 0.00 -0.70 -5.04 105.19 111.36 1r5c n GLY 68 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1r5c n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r5c s GLN 69 N -0.44 2.02 -0.02 1.61 -0.21 -1.26 -4.74 119.66 116.60 1r5c s GLN 69 Ca 0.00 1.44 0.13 0.00 0.02 0.00 0.00 55.36 56.95 1r5c s GLN 69 Cb 0.00 -1.85 0.38 0.00 1.00 0.00 0.00 33.01 32.54 1r5c s GLN 69 CO 0.00 -1.87 1.32 0.25 -2.12 0.00 0.00 175.29 172.87 1r5c n THR 70 N -3.32 1.17 -1.04 -0.19 -2.24 -1.26 -0.99 114.28 106.41 1r5c n THR 70 Ca 0.11 -1.10 -0.24 0.00 -2.27 0.00 0.00 64.05 60.55 1r5c n THR 70 Cb 0.52 0.41 0.14 0.00 -2.10 0.00 0.00 70.33 69.29 1r5c n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1r5c n ASN 71 N 0.55 4.65 -4.90 3.42 6.94 -1.26 -4.83 115.26 119.83 1r5c n ASN 71 Ca 0.15 -3.48 -0.34 0.00 -0.02 0.00 0.00 54.58 50.89 1r5c n ASN 71 Cb 0.51 -0.85 -0.05 0.00 -2.36 0.00 0.00 39.78 37.03 1r5c n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r5c s TYR 73 N -1.29 0.92 -0.09 0.00 1.51 0.09 -0.25 117.35 118.24 1r5c s TYR 73 Ca 0.26 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1r5c s TYR 73 Cb -0.13 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1r5c s TYR 73 CO 0.17 -0.01 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.39 1r5c s GLN 74 N -0.59 2.94 0.41 -0.62 0.74 0.11 -1.24 119.66 121.41 1r5c s GLN 74 Ca 0.02 -0.55 -0.25 0.00 0.05 0.00 0.00 55.36 54.62 1r5c s GLN 74 Cb -0.05 -2.64 -0.08 0.00 1.10 0.00 0.00 33.01 31.33 1r5c s GLN 74 CO 0.00 0.56 1.22 -1.54 -0.55 0.00 0.00 175.29 174.99 1r5c s SER 75 N -0.54 6.39 0.30 6.67 1.04 -0.65 -3.01 113.70 123.91 1r5c s SER 75 Ca 0.08 2.47 0.07 0.00 0.48 0.00 0.00 55.95 59.05 1r5c s SER 75 Cb -0.12 -2.62 0.48 0.00 0.10 0.00 0.00 66.02 63.85 1r5c s SER 75 CO 0.02 -0.77 1.71 0.07 0.98 0.00 0.00 173.24 175.25 1r5c h LYS 76 N 2.60 0.22 -5.77 4.02 2.10 -1.96 -3.44 116.57 114.34 1r5c h LYS 76 Ca -0.49 -0.10 -0.62 0.00 -2.00 0.00 0.00 60.65 57.44 1r5c h LYS 76 Cb 1.24 -0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.44 1r5c h LYS 76 CO 0.62 0.60 -0.61 -1.12 -2.00 0.00 0.00 179.45 176.94 1r5c s SER 77 N -6.88 3.93 0.55 7.07 0.01 -1.26 -5.09 113.70 112.03 1r5c s SER 77 Ca -0.04 -1.27 -0.17 0.00 1.31 0.00 0.00 55.95 55.77 1r5c s SER 77 Cb 0.13 -0.41 -0.06 0.00 0.21 0.00 0.00 66.02 65.90 1r5c s SER 77 CO 0.77 -0.39 1.04 0.42 0.41 0.00 0.00 173.24 175.48 1r5c s THR 78 N -2.66 3.93 0.11 1.44 -4.23 -1.26 -4.40 115.64 108.57 1r5c s THR 78 Ca 0.35 1.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.92 1r5c s THR 78 Cb 0.07 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1r5c s THR 78 CO 0.18 -0.46 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.63 1r5c s MET 79 N -3.83 0.99 -0.32 3.99 -1.94 -0.27 -4.88 119.30 113.04 1r5c s MET 79 Ca 0.64 -1.20 -0.27 0.00 -1.71 0.00 0.00 55.69 53.15 1r5c s MET 79 Cb -0.15 -0.86 0.01 0.00 2.01 0.00 0.00 34.83 35.84 1r5c s MET 79 CO 0.31 0.17 0.95 1.03 -0.01 0.00 0.00 175.02 177.47 1r5c s ARG 80 N -2.59 4.01 0.16 2.03 0.52 -1.26 -2.64 118.95 119.18 1r5c s ARG 80 Ca 0.07 0.84 0.01 0.00 -0.52 0.00 0.00 55.73 56.14 1r5c s ARG 80 Cb -0.05 -3.74 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1r5c s ARG 80 CO 0.03 -0.82 0.03 0.96 0.02 0.00 0.00 175.30 175.51 1r5c s ILE 81 N 3.36 0.47 -0.14 1.52 -4.36 -0.78 -0.68 121.20 120.60 1r5c s ILE 81 Ca 0.40 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.85 1r5c s ILE 81 Cb -0.13 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1r5c s ILE 81 CO 0.14 -0.45 -0.19 -0.89 0.24 0.00 0.00 174.94 173.79 1r5c s THR 82 N -3.80 1.87 -0.22 8.37 2.01 0.13 -1.98 115.64 122.02 1r5c s THR 82 Ca 0.25 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1r5c s THR 82 Cb 0.07 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1r5c s THR 82 CO 0.04 0.51 0.45 -0.62 -0.69 0.00 0.00 174.62 174.31 1r5c s ASP 83 N 1.02 6.43 -0.18 3.53 -1.08 -0.45 -0.72 116.67 125.23 1r5c s ASP 83 Ca -0.03 0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 52.51 1r5c s ASP 83 Cb -0.15 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1r5c s ASP 83 CO -0.05 -0.16 -0.13 0.00 0.52 0.00 0.00 175.17 175.34 1r5c s ARG 85 N 1.12 0.31 0.41 0.00 0.52 -1.09 -1.54 118.95 118.68 1r5c s ARG 85 Ca 0.01 -0.07 -0.25 0.00 -0.52 0.00 0.00 55.73 54.89 1r5c s ARG 85 Cb -0.14 -0.35 -0.10 0.00 0.52 0.00 0.00 34.95 34.87 1r5c s ARG 85 CO -0.04 0.01 1.13 0.39 0.02 0.00 0.00 175.30 176.81 1r5c n GLU 86 N 3.34 1.62 -2.28 3.54 1.02 -0.89 -0.29 120.64 126.70 1r5c n GLU 86 Ca -0.17 0.58 -0.26 0.00 -0.02 0.00 0.00 57.16 57.29 1r5c n GLU 86 Cb 0.56 -2.19 0.13 0.00 -0.02 0.00 0.00 31.44 29.92 1r5c n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1r5c s THR 87 N -1.22 2.12 0.13 2.62 -4.23 -0.37 -4.75 115.64 109.94 1r5c s THR 87 Ca 0.62 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 60.68 1r5c s THR 87 Cb -0.55 -2.80 -0.07 0.00 1.34 0.00 0.00 72.50 70.43 1r5c s THR 87 CO 0.58 0.00 1.44 1.23 -0.54 0.00 0.00 174.62 177.32 1r5c h GLY 88 N -0.93 0.96 0.41 3.99 0.00 -1.94 -3.03 103.07 102.52 1r5c h GLY 88 Ca -0.41 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 45.89 1r5c h GLY 88 CO 0.43 0.93 0.00 -1.14 0.00 0.00 0.00 176.54 176.76 1r5c n SER 89 N -4.08 0.00 -4.70 0.19 3.41 -1.26 -4.83 113.62 102.34 1r5c n SER 89 Ca -0.03 -1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 56.94 1r5c n SER 89 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1r5c n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r5c s SER 90 N -1.55 6.97 -0.13 4.04 0.15 -1.15 -4.88 113.70 117.16 1r5c s SER 90 Ca 0.15 2.07 -0.05 0.00 0.70 0.00 0.00 55.95 58.83 1r5c s SER 90 Cb 0.07 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.87 1r5c s SER 90 CO 0.12 -0.58 0.25 -0.75 1.20 0.00 0.00 173.24 173.48 1r5c s LYS 91 N 1.53 0.14 0.34 5.44 2.36 -0.98 -4.92 119.74 123.66 1r5c s LYS 91 Ca 0.61 0.70 -0.29 0.00 -2.55 0.00 0.00 55.97 54.45 1r5c s LYS 91 Cb -0.31 -0.12 -0.12 0.00 -1.05 0.00 0.00 37.83 36.24 1r5c s LYS 91 CO 0.28 -0.31 1.41 0.98 1.55 0.00 0.00 175.35 179.26 1r5c n TYR 92 N 5.35 2.60 0.93 4.03 9.36 -1.26 0.14 117.16 138.31 1r5c n TYR 92 Ca -0.06 0.47 0.04 0.00 3.32 0.00 0.00 57.90 61.66 1r5c n TYR 92 Cb 0.50 -2.49 0.12 0.00 -0.63 0.00 0.00 39.34 36.85 1r5c n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1r5c n PRO 93 N 0.86 1.83 -2.51 2.98 -0.04 -1.26 -4.97 135.00 131.88 1r5c n PRO 93 Ca 0.05 -1.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.08 1r5c n PRO 93 Cb 0.37 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1r5c n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1r5c n ASN 94 N 0.26 5.96 -4.73 3.54 5.03 0.38 -5.01 115.26 120.69 1r5c n ASN 94 Ca 0.09 -3.24 -0.41 0.00 0.87 0.00 0.00 54.58 51.89 1r5c n ASN 94 Cb 0.32 -1.38 -0.03 0.00 -1.02 0.00 0.00 39.78 37.67 1r5c n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r5c s ALA 96 N 0.29 1.11 0.15 0.00 0.00 -1.26 -4.94 121.76 117.10 1r5c s ALA 96 Ca 0.58 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.31 1r5c s ALA 96 Cb -0.37 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1r5c s ALA 96 CO 0.37 0.10 -0.24 0.71 0.00 0.00 0.00 175.76 176.70 1r5c s TYR 97 N 0.64 2.17 -0.16 0.00 2.02 -1.26 -1.24 117.35 119.52 1r5c s TYR 97 Ca -0.13 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.10 1r5c s TYR 97 Cb -0.15 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1r5c s TYR 97 CO 0.03 0.36 0.13 0.21 -1.57 0.00 0.00 175.55 174.70 1r5c s LYS 98 N -2.26 3.85 -0.23 -0.62 2.36 0.61 -4.72 119.74 118.73 1r5c s LYS 98 Ca 0.15 -0.20 -0.08 0.00 -2.55 0.00 0.00 55.97 53.29 1r5c s LYS 98 Cb -0.09 -3.30 -0.04 0.00 -1.05 0.00 0.00 37.83 33.35 1r5c s LYS 98 CO 0.07 0.50 0.10 0.99 1.55 0.00 0.00 175.35 178.55 1r5c s THR 99 N -0.22 4.79 -0.12 3.43 2.01 -1.26 -2.68 115.64 121.59 1r5c s THR 99 Ca 0.11 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1r5c s THR 99 Cb -0.11 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1r5c s THR 99 CO 0.01 0.37 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.34 1r5c s THR 100 N 1.08 1.09 -0.16 -0.82 2.01 -0.81 -4.97 115.64 113.06 1r5c s THR 100 Ca 0.05 -0.34 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 1r5c s THR 100 Cb -0.14 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1r5c s THR 100 CO 0.04 0.37 0.86 -1.10 -0.69 0.00 0.00 174.62 174.10 1r5c s GLN 101 N 1.68 4.32 0.11 4.92 -0.21 -1.26 -1.34 119.66 127.89 1r5c s GLN 101 Ca 0.05 1.08 0.01 0.00 0.02 0.00 0.00 55.36 56.52 1r5c s GLN 101 Cb -0.13 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 1r5c s GLN 101 CO -0.08 -0.32 -0.03 0.14 -2.12 0.00 0.00 175.29 172.88 1r5c s VAL 102 N 2.09 0.57 -0.35 1.09 -7.23 -0.84 -4.99 120.40 110.74 1r5c s VAL 102 Ca 0.40 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1r5c s VAL 102 Cb -0.17 -1.80 0.11 0.00 0.56 0.00 0.00 36.38 35.08 1r5c s VAL 102 CO 0.13 -0.76 0.12 -1.61 -0.31 0.00 0.00 175.10 172.68 1r5c s GLU 103 N -3.89 1.01 0.19 4.82 2.02 -1.26 -1.87 118.70 119.72 1r5c s GLU 103 Ca 0.15 -1.47 -0.02 0.00 0.02 0.00 0.00 54.97 53.66 1r5c s GLU 103 Cb 0.06 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1r5c s GLU 103 CO -0.03 -1.02 0.14 0.15 0.02 0.00 0.00 175.26 174.53 1r5c s LYS 104 N 1.16 1.18 0.28 1.61 1.02 -1.08 -4.78 119.74 119.12 1r5c s LYS 104 Ca 0.12 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.26 1r5c s LYS 104 Cb -0.19 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 1r5c s LYS 104 CO -0.16 -0.39 0.97 -1.01 -0.92 0.00 0.00 175.35 173.85 1r5c s HIS 105 N -4.13 3.81 0.12 3.18 3.76 0.11 -1.11 115.29 121.03 1r5c s HIS 105 Ca 0.35 1.84 0.04 0.00 -0.15 0.00 0.00 55.06 57.14 1r5c s HIS 105 Cb 0.06 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 1r5c s HIS 105 CO 0.10 0.18 0.12 0.96 -0.85 0.00 0.00 174.74 175.25 1r5c s ILE 106 N -1.31 4.60 -0.12 0.60 -4.36 -1.26 -0.14 121.20 119.20 1r5c s ILE 106 Ca 0.45 -0.88 0.02 0.00 -0.26 0.00 0.00 60.65 59.97 1r5c s ILE 106 Cb -0.25 -3.28 0.01 0.00 1.25 0.00 0.00 42.46 40.19 1r5c s ILE 106 CO 0.31 0.01 -0.18 -0.63 0.24 0.00 0.00 174.94 174.70 1r5c s ILE 107 N -1.57 1.71 0.15 8.37 1.01 0.20 -1.63 121.20 129.44 1r5c s ILE 107 Ca 0.31 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1r5c s ILE 107 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1r5c s ILE 107 CO 0.23 0.48 -0.15 0.68 0.00 0.00 0.00 174.94 176.19 1r5c s VAL 108 N 0.98 1.53 -0.10 2.92 -7.23 -0.37 -0.41 120.40 117.72 1r5c s VAL 108 Ca -0.05 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.13 1r5c s VAL 108 Cb -0.15 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1r5c s VAL 108 CO -0.03 -0.46 0.20 0.00 -0.31 0.00 0.00 175.10 174.50 1r5c s ALA 109 N -2.39 3.83 0.07 1.32 0.00 -0.26 -0.73 121.76 123.60 1r5c s ALA 109 Ca 0.14 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.64 1r5c s ALA 109 Cb -0.04 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 1r5c s ALA 109 CO 0.04 0.56 -0.25 0.00 0.00 0.00 0.00 175.76 176.11 1r5c s GLY 111 N -1.50 0.49 0.00 0.00 0.00 -0.51 -4.89 107.32 100.91 1r5c s GLY 111 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1r5c s GLY 111 CO 0.04 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1r5c n GLY 112 N -0.52 -1.05 2.71 0.20 0.00 -1.26 -1.02 105.19 104.25 1r5c n GLY 112 Ca -0.06 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1r5c n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r5c s LYS 113 N -2.07 0.61 0.77 1.61 -0.14 -1.26 -2.31 119.74 116.96 1r5c s LYS 113 Ca 0.00 -0.63 -0.14 0.00 -1.36 0.00 0.00 55.97 53.85 1r5c s LYS 113 Cb 0.00 -1.96 0.06 0.00 -1.68 0.00 0.00 37.83 34.26 1r5c s LYS 113 CO 0.00 -0.79 1.18 -2.14 -0.76 0.00 0.00 175.35 172.84 1r5c s PRO 114 N 1.82 1.91 -0.32 -1.68 0.02 -1.26 -5.10 135.00 130.39 1r5c s PRO 114 Ca 0.03 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.42 1r5c s PRO 114 Cb -0.17 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1r5c s PRO 114 CO -0.17 -1.99 1.51 0.45 -0.33 0.00 0.00 177.00 176.48 1r5c s SER 115 N -2.29 6.34 0.26 2.53 0.15 -0.98 -4.88 113.70 114.83 1r5c s SER 115 Ca 0.71 1.22 0.09 0.00 0.70 0.00 0.00 55.95 58.67 1r5c s SER 115 Cb -0.27 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.46 1r5c s SER 115 CO 0.49 -1.36 -0.13 0.68 1.20 0.00 0.00 173.24 174.12 1r5c s VAL 116 N 5.39 1.99 0.12 4.45 -7.23 -0.19 -4.83 120.40 120.11 1r5c s VAL 116 Ca 0.66 -2.25 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 1r5c s VAL 116 Cb -0.19 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1r5c s VAL 116 CO 0.30 -0.42 1.51 -2.84 -0.31 0.00 0.00 175.10 173.34 1r5c s PRO 117 N -3.62 4.25 0.00 4.82 0.02 -1.26 -1.42 135.00 137.78 1r5c s PRO 117 Ca 0.28 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1r5c s PRO 117 Cb -0.00 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1r5c s PRO 117 CO 0.12 -0.57 0.43 1.33 -0.33 0.00 0.00 177.00 177.98 1r5c n VAL 118 N 4.13 0.10 -3.64 3.83 0.24 -0.10 -4.91 118.33 117.98 1r5c n VAL 118 Ca 0.13 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 1r5c n VAL 118 Cb 0.40 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 1r5c n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1r5c s HIS 119 N -0.10 -0.51 -0.22 6.34 5.65 -1.20 -4.97 115.29 120.28 1r5c s HIS 119 Ca 0.00 1.22 -0.15 0.00 0.25 0.00 0.00 55.06 56.39 1r5c s HIS 119 Cb 0.00 0.36 -0.04 0.00 -1.18 0.00 0.00 32.58 31.72 1r5c s HIS 119 CO 0.00 -0.25 0.34 0.12 -0.65 0.00 0.00 174.74 174.30 1r5c s PHE 120 N 0.37 3.34 -0.24 3.88 2.19 -1.26 -1.10 117.98 125.16 1r5c s PHE 120 Ca 0.02 0.50 -0.17 0.00 0.33 0.00 0.00 56.93 57.61 1r5c s PHE 120 Cb -0.05 -2.47 -0.13 0.00 -1.31 0.00 0.00 43.02 39.05 1r5c s PHE 120 CO -0.07 -0.02 -0.15 -3.47 1.83 0.00 0.00 175.22 173.34 1r5c n ASP 121 N 4.54 1.92 -3.61 6.13 2.03 0.46 -4.95 116.55 123.06 1r5c n ASP 121 Ca -0.10 0.38 -0.03 0.00 0.52 0.00 0.00 54.79 55.57 1r5c n ASP 121 Cb 0.51 -0.87 -0.01 0.00 -0.72 0.00 0.00 41.12 40.03 1r5c n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r5c s ALA 122 N -2.50 -2.06 -0.04 -1.67 0.00 -1.06 -4.95 121.76 109.48 1r5c s ALA 122 Ca -0.33 1.07 0.07 0.00 0.00 0.00 0.00 51.96 52.77 1r5c s ALA 122 Cb 0.10 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1r5c s ALA 122 CO 0.51 -0.81 -0.25 -1.54 0.00 0.00 0.00 175.76 173.67 1r5c s SER 123 N -2.57 3.11 0.00 0.00 1.04 -1.26 0.63 113.70 114.65 1r5c s SER 123 Ca 0.11 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1r5c s SER 123 Cb 0.01 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.50 1r5c s SER 123 CO -0.04 0.28 0.03 0.55 0.98 0.00 0.00 173.24 175.04