#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1c s GLU 2 N 0.00 0.49 -1.72 0.00 0.41 -1.26 -4.96 118.70 111.67 1r1c s GLU 2 Ca 0.00 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 1r1c s GLU 2 Cb 0.00 0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.52 1r1c s GLU 2 CO 0.00 -0.08 0.00 0.00 -0.49 0.00 0.00 175.26 174.69 1r1c s SER 4 N -2.77 0.26 -0.00 0.00 1.04 -1.26 -0.03 113.70 110.94 1r1c s SER 4 Ca 0.00 -0.64 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 1r1c s SER 4 Cb 0.00 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 1r1c s SER 4 CO 0.00 -0.50 0.11 0.54 0.98 0.00 0.00 173.24 174.37 1r1c s VAL 5 N -2.77 0.08 -0.22 5.02 0.11 0.17 -4.91 120.40 117.88 1r1c s VAL 5 Ca -0.04 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.26 1r1c s VAL 5 Cb -0.00 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1r1c s VAL 5 CO -0.05 -0.35 0.24 -1.81 -3.33 0.00 0.00 175.10 169.80 1r1c s ASP 6 N -1.20 6.25 -0.01 3.54 1.11 -1.26 -0.64 116.67 124.46 1r1c s ASP 6 Ca -0.13 0.28 0.06 0.00 0.18 0.00 0.00 52.55 52.94 1r1c s ASP 6 Cb -0.07 -2.15 -0.02 0.00 1.07 0.00 0.00 42.92 41.75 1r1c s ASP 6 CO 0.01 0.04 -0.20 -0.63 1.18 0.00 0.00 175.17 175.57 1r1c s ILE 7 N 1.00 1.56 0.03 0.77 1.09 0.39 -4.95 121.20 121.09 1r1c s ILE 7 Ca 0.12 -0.88 0.08 0.00 -1.10 0.00 0.00 60.65 58.86 1r1c s ILE 7 Cb -0.14 -1.30 -0.03 0.00 -1.06 0.00 0.00 42.46 39.93 1r1c s ILE 7 CO 0.05 0.40 -0.21 -1.10 -0.10 0.00 0.00 174.94 173.98 1r1c s GLN 8 N -0.55 2.01 -0.07 2.79 -0.21 -1.26 -0.99 119.66 121.38 1r1c s GLN 8 Ca 0.07 -1.00 0.04 0.00 0.02 0.00 0.00 55.36 54.49 1r1c s GLN 8 Cb -0.08 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1r1c s GLN 8 CO -0.00 0.54 -0.18 0.20 -2.12 0.00 0.00 175.29 173.72 1r1c s GLY 9 N -1.26 1.04 0.00 3.09 0.00 -0.75 -1.17 107.32 108.27 1r1c s GLY 9 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1r1c s GLY 9 CO 0.03 -0.25 0.00 1.16 0.00 0.00 0.00 173.10 174.04 1r1c n ASN 10 N 3.40 0.77 -0.00 1.64 0.23 -0.09 -4.07 115.26 117.13 1r1c n ASN 10 Ca -0.20 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 53.99 1r1c n ASN 10 Cb 0.53 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.79 1r1c n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1r1c n ASP 11 N 0.00 0.07 -1.08 0.53 8.00 -1.26 -3.21 116.55 119.60 1r1c n ASP 11 Ca 0.00 0.39 0.10 0.00 0.71 0.00 0.00 54.79 55.98 1r1c n ASP 11 Cb 0.00 -0.39 0.27 0.00 -0.02 0.00 0.00 41.12 40.98 1r1c n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r1c n GLN 12 N -1.50 2.37 -3.29 -1.24 1.13 -1.26 -4.94 117.38 108.65 1r1c n GLN 12 Ca 0.07 -2.12 -0.17 0.00 -1.94 0.00 0.00 57.00 52.84 1r1c n GLN 12 Cb 0.34 -1.47 0.06 0.00 0.11 0.00 0.00 30.24 29.29 1r1c n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1r1c n MET 13 N 1.23 -5.88 -4.55 -1.09 1.56 -1.20 -5.02 117.12 102.17 1r1c n MET 13 Ca 0.20 0.63 -0.23 0.00 -0.27 0.00 0.00 57.70 58.03 1r1c n MET 13 Cb 0.51 -5.07 -0.14 0.00 2.15 0.00 0.00 33.22 30.67 1r1c n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1r1c s GLN 14 N -5.82 1.17 0.43 2.12 -1.52 -1.26 -4.25 119.66 110.52 1r1c s GLN 14 Ca 0.37 -0.75 -0.20 0.00 -1.95 0.00 0.00 55.36 52.83 1r1c s GLN 14 Cb -0.16 -1.20 -0.10 0.00 -0.22 0.00 0.00 33.01 31.33 1r1c s GLN 14 CO 0.55 0.31 0.92 -0.06 -0.25 0.00 0.00 175.29 176.77 1r1c s PHE 15 N -0.69 3.34 -0.56 0.91 0.08 -1.26 -0.92 117.98 118.88 1r1c s PHE 15 Ca 0.05 1.53 0.25 0.00 0.12 0.00 0.00 56.93 58.88 1r1c s PHE 15 Cb -0.08 -2.80 0.62 0.00 -0.57 0.00 0.00 43.02 40.19 1r1c s PHE 15 CO 0.01 -0.12 1.70 -2.95 -0.10 0.00 0.00 175.22 173.77 1r1c h ASN 16 N 1.82 0.00 -4.33 1.36 -1.07 -1.53 -3.45 115.58 108.38 1r1c h ASN 16 Ca -0.49 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.40 1r1c h ASN 16 Cb 1.18 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 37.21 1r1c h ASN 16 CO 0.62 0.00 -0.80 0.28 0.07 0.00 0.00 177.43 177.59 1r1c s THR 17 N -3.18 1.39 -1.44 6.14 -1.32 -1.26 -5.02 115.64 110.94 1r1c s THR 17 Ca 0.08 -1.38 0.14 0.00 -1.21 0.00 0.00 61.69 59.33 1r1c s THR 17 Cb 0.09 -1.29 0.28 0.00 -1.51 0.00 0.00 72.50 70.07 1r1c s THR 17 CO 0.62 -0.12 1.17 -0.46 -2.21 0.00 0.00 174.62 173.62 1r1c n ASN 18 N 1.27 2.77 -3.69 8.08 2.04 -1.26 -4.83 115.26 119.64 1r1c n ASN 18 Ca -0.20 -1.83 -0.11 0.00 -0.44 0.00 0.00 54.58 52.00 1r1c n ASN 18 Cb 0.54 -0.17 -0.10 0.00 -2.53 0.00 0.00 39.78 37.52 1r1c n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1r1c s ALA 19 N -1.08 -1.23 -0.04 -2.53 0.00 -1.26 -0.26 121.76 115.36 1r1c s ALA 19 Ca 0.24 1.62 0.04 0.00 0.00 0.00 0.00 51.96 53.87 1r1c s ALA 19 Cb 0.14 -0.97 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 1r1c s ALA 19 CO 0.19 -0.27 -0.16 0.42 0.00 0.00 0.00 175.76 175.94 1r1c s ILE 20 N 1.08 1.37 0.04 0.00 1.01 0.97 -4.94 121.20 120.73 1r1c s ILE 20 Ca -0.07 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 59.98 1r1c s ILE 20 Cb -0.06 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1r1c s ILE 20 CO -0.10 0.40 -0.24 0.42 0.00 0.00 0.00 174.94 175.42 1r1c s THR 21 N 0.04 2.35 -0.08 2.92 -4.23 -1.26 0.13 115.64 115.51 1r1c s THR 21 Ca -0.04 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1r1c s THR 21 Cb -0.11 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1r1c s THR 21 CO 0.02 0.36 -0.21 0.68 -0.54 0.00 0.00 174.62 174.93 1r1c s VAL 22 N -0.84 1.79 -0.07 2.29 -7.23 0.33 -4.86 120.40 111.81 1r1c s VAL 22 Ca 0.13 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 1r1c s VAL 22 Cb -0.10 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.21 1r1c s VAL 22 CO 0.03 0.50 2.06 -0.62 -0.31 0.00 0.00 175.10 176.76 1r1c s ASP 23 N 0.30 6.06 0.00 4.85 -1.08 -1.26 0.73 116.67 126.27 1r1c s ASP 23 Ca -0.14 2.35 0.00 0.00 -0.52 0.00 0.00 52.55 54.24 1r1c s ASP 23 Cb -0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1r1c s ASP 23 CO 0.06 -1.41 0.78 1.17 0.52 0.00 0.00 175.17 176.29 1r1c n LYS 24 N 8.02 0.00 0.08 4.34 4.81 -1.26 -0.91 118.16 133.24 1r1c n LYS 24 Ca 0.24 0.29 -0.11 0.00 -0.87 0.00 0.00 58.31 57.86 1r1c n LYS 24 Cb 0.43 -1.51 -0.09 0.00 0.02 0.00 0.00 35.03 33.88 1r1c n LYS 24 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1r1c h SER 25 N 0.00 0.23 -2.41 3.14 4.64 -1.96 -3.45 113.55 113.75 1r1c h SER 25 Ca 0.00 -0.23 -0.58 0.00 -0.47 0.00 0.00 61.79 60.51 1r1c h SER 25 Cb 0.02 -0.07 0.06 0.00 -0.31 0.00 0.00 62.40 62.10 1r1c h SER 25 CO 0.00 1.12 0.75 0.00 -0.87 0.00 0.00 176.83 177.83 1r1c h LYS 27 N 5.43 0.61 -4.36 0.00 3.64 -1.88 -3.43 116.57 116.59 1r1c h LYS 27 Ca -0.45 -0.43 -0.20 0.00 -1.27 0.00 0.00 60.65 58.30 1r1c h LYS 27 Cb 1.26 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.97 1r1c h LYS 27 CO 0.85 1.05 -0.70 -0.65 -2.27 0.00 0.00 179.45 177.73 1r1c s GLN 28 N -3.88 0.57 0.00 1.90 -0.21 -1.26 -1.18 119.66 115.60 1r1c s GLN 28 Ca -0.08 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 54.33 1r1c s GLN 28 Cb 0.10 -0.05 -0.00 0.00 1.00 0.00 0.00 33.01 34.07 1r1c s GLN 28 CO 0.86 -0.03 -0.02 0.12 -2.12 0.00 0.00 175.29 174.10 1r1c s PHE 29 N -2.59 0.16 -0.08 0.91 5.36 -0.61 -4.79 117.98 116.34 1r1c s PHE 29 Ca -0.02 -0.07 0.04 0.00 -0.96 0.00 0.00 56.93 55.91 1r1c s PHE 29 Cb -0.02 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 1r1c s PHE 29 CO -0.04 -0.02 -0.20 0.99 -1.46 0.00 0.00 175.22 174.49 1r1c s THR 30 N -0.18 2.45 -0.24 0.12 2.01 0.95 -1.61 115.64 119.15 1r1c s THR 30 Ca -0.01 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1r1c s THR 30 Cb -0.02 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1r1c s THR 30 CO -0.00 0.56 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 1r1c s VAL 31 N -0.03 3.34 -0.40 3.82 1.01 0.34 0.44 120.40 128.92 1r1c s VAL 31 Ca -0.06 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1r1c s VAL 31 Cb -0.15 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1r1c s VAL 31 CO 0.05 0.32 0.27 0.20 0.00 0.00 0.00 175.10 175.94 1r1c s ASN 32 N 1.45 5.99 -0.15 3.32 0.01 0.19 -1.06 114.94 124.69 1r1c s ASN 32 Ca 0.04 -0.90 -0.07 0.00 -0.71 0.00 0.00 52.86 51.22 1r1c s ASN 32 Cb -0.15 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 1r1c s ASN 32 CO -0.03 -0.42 0.10 -0.22 -1.51 0.00 0.00 177.10 175.02 1r1c s LEU 33 N 1.64 4.10 0.19 0.60 2.96 0.10 -0.46 118.68 127.81 1r1c s LEU 33 Ca 0.04 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1r1c s LEU 33 Cb -0.19 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1r1c s LEU 33 CO 0.09 0.29 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.41 1r1c s SER 34 N -0.33 1.90 -0.38 3.68 1.04 -0.16 -1.84 113.70 117.62 1r1c s SER 34 Ca 0.10 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.45 1r1c s SER 34 Cb -0.12 -0.02 0.11 0.00 0.10 0.00 0.00 66.02 66.10 1r1c s SER 34 CO 0.01 -0.39 0.15 -2.28 0.98 0.00 0.00 173.24 171.71 1r1c s HIS 35 N -3.33 2.48 -2.00 5.02 2.46 -1.08 -1.81 115.29 117.03 1r1c s HIS 35 Ca 0.22 -2.44 0.07 0.00 0.47 0.00 0.00 55.06 53.38 1r1c s HIS 35 Cb 0.04 -2.21 0.41 0.00 -0.13 0.00 0.00 32.58 30.69 1r1c s HIS 35 CO 0.05 -0.85 1.20 -0.35 -2.47 0.00 0.00 174.74 172.32 1r1c n PRO 36 N 4.09 0.93 -1.38 2.88 -0.04 -1.26 -0.45 135.00 139.77 1r1c n PRO 36 Ca 0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1r1c n PRO 36 Cb 0.38 -1.12 0.13 0.00 -0.04 0.00 0.00 33.50 32.86 1r1c n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r1c n GLY 37 N 0.53 -1.14 0.10 0.55 0.00 -1.26 -4.91 105.19 99.06 1r1c n GLY 37 Ca 0.05 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.38 1r1c n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r1c n ASN 38 N -3.51 0.79 -4.83 1.61 3.02 -1.26 -4.01 115.26 107.07 1r1c n ASN 38 Ca 0.11 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.44 1r1c n ASN 38 Cb 0.40 0.75 -0.07 0.00 -0.61 0.00 0.00 39.78 40.25 1r1c n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r1c s LEU 39 N -2.04 4.00 0.78 3.41 1.43 -1.26 -4.77 118.68 120.23 1r1c s LEU 39 Ca 0.06 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 1r1c s LEU 39 Cb 0.07 -4.34 0.06 0.00 0.03 0.00 0.00 46.19 42.02 1r1c s LEU 39 CO 0.31 -0.29 1.15 -2.16 0.23 0.00 0.00 176.35 175.60 1r1c s PRO 40 N -3.07 2.22 0.53 1.29 0.04 -1.26 -1.47 135.00 133.29 1r1c s PRO 40 Ca 0.58 0.20 0.33 0.00 0.04 0.00 0.00 61.00 62.16 1r1c s PRO 40 Cb -0.10 -1.98 1.40 0.00 0.04 0.00 0.00 34.50 33.86 1r1c s PRO 40 CO 0.15 -1.43 1.98 1.57 0.04 0.00 0.00 177.00 179.31 1r1c h LYS 41 N -0.93 0.00 -0.02 4.56 2.10 -1.84 -1.27 116.57 119.16 1r1c h LYS 41 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1r1c h LYS 41 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1r1c h LYS 41 CO 0.65 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.37 1r1c n ASN 42 N -2.99 0.59 0.00 7.07 2.04 -1.26 -1.93 115.26 118.78 1r1c n ASN 42 Ca 0.01 -1.26 0.00 0.00 -0.44 0.00 0.00 54.58 52.89 1r1c n ASN 42 Cb 0.28 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 1r1c n ASN 42 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 1r1c n VAL 43 N -0.51 0.00 -2.73 3.53 3.14 -0.83 -4.83 118.33 116.10 1r1c n VAL 43 Ca 0.21 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.55 1r1c n VAL 43 Cb 0.20 0.35 0.08 0.00 -1.06 0.00 0.00 33.84 33.41 1r1c n VAL 43 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1r1c n MET 44 N -1.38 1.41 -2.25 1.45 0.00 -0.54 -5.03 117.12 110.78 1r1c n MET 44 Ca 0.00 -2.52 -0.36 0.00 -0.00 0.00 0.00 57.70 54.81 1r1c n MET 44 Cb 0.03 -0.69 -0.00 0.00 0.00 0.00 0.00 33.22 32.56 1r1c n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1r1c s GLY 45 N -2.47 2.72 0.00 -5.12 0.00 -0.81 -4.72 107.32 96.92 1r1c s GLY 45 Ca 0.21 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.84 1r1c s GLY 45 CO -0.06 1.31 -0.04 0.30 0.00 0.00 0.00 173.10 174.61 1r1c s HIS 46 N -1.64 0.39 0.32 1.90 3.76 -0.64 -4.64 115.29 114.74 1r1c s HIS 46 Ca 0.68 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 55.50 1r1c s HIS 46 Cb -0.27 -0.25 -0.06 0.00 1.11 0.00 0.00 32.58 33.12 1r1c s HIS 46 CO 0.31 -0.02 0.07 0.54 -0.85 0.00 0.00 174.74 174.80 1r1c s ASN 47 N -0.25 2.25 -0.20 1.40 2.20 -1.26 -0.04 114.94 119.04 1r1c s ASN 47 Ca 0.00 -1.41 0.01 0.00 -0.94 0.00 0.00 52.86 50.52 1r1c s ASN 47 Cb -0.02 0.01 0.03 0.00 -2.00 0.00 0.00 41.25 39.27 1r1c s ASN 47 CO -0.00 -0.66 -0.18 0.12 -2.94 0.00 0.00 177.10 173.44 1r1c s PHE 48 N -3.35 2.89 -0.07 1.54 5.36 -1.26 -4.02 117.98 119.06 1r1c s PHE 48 Ca 0.35 -1.78 0.02 0.00 -0.96 0.00 0.00 56.93 54.56 1r1c s PHE 48 Cb 0.08 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.85 1r1c s PHE 48 CO 0.15 -0.82 -0.12 0.08 -1.46 0.00 0.00 175.22 173.05 1r1c s VAL 49 N 1.25 1.15 -0.08 3.12 1.01 -0.46 -0.92 120.40 125.48 1r1c s VAL 49 Ca 0.02 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1r1c s VAL 49 Cb -0.15 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1r1c s VAL 49 CO -0.11 0.36 -0.23 -0.22 0.00 0.00 0.00 175.10 174.91 1r1c s LEU 50 N 0.81 2.19 0.35 3.92 2.96 0.51 -1.55 118.68 127.87 1r1c s LEU 50 Ca -0.12 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 1r1c s LEU 50 Cb -0.15 -1.43 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1r1c s LEU 50 CO 0.02 0.21 0.48 -0.94 -1.32 0.00 0.00 176.35 174.80 1r1c s SER 51 N 0.05 0.96 0.83 3.68 1.04 -0.78 0.66 113.70 120.14 1r1c s SER 51 Ca -0.09 -1.50 -0.11 0.00 0.48 0.00 0.00 55.95 54.72 1r1c s SER 51 Cb -0.15 0.67 0.09 0.00 0.10 0.00 0.00 66.02 66.73 1r1c s SER 51 CO 0.06 -1.31 1.09 0.42 0.98 0.00 0.00 173.24 174.48 1r1c s THR 52 N -3.01 2.94 0.36 2.02 -4.23 -1.26 -0.61 115.64 111.85 1r1c s THR 52 Ca 0.31 0.30 0.06 0.00 -1.18 0.00 0.00 61.69 61.18 1r1c s THR 52 Cb -0.01 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.20 1r1c s THR 52 CO 0.21 -0.40 1.94 0.00 -0.54 0.00 0.00 174.62 175.83 1r1c h ALA 53 N -1.27 1.73 0.00 3.99 0.00 -0.97 -2.82 119.26 119.92 1r1c h ALA 53 Ca -0.48 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1r1c h ALA 53 Cb 1.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1r1c h ALA 53 CO 0.57 0.14 -0.74 0.00 0.00 0.00 0.00 179.25 179.21 1r1c h ALA 54 N 1.60 0.66 -0.00 0.00 0.00 -1.91 -2.97 119.26 116.63 1r1c h ALA 54 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1r1c h ALA 54 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r1c h ALA 54 CO -0.12 0.69 -0.11 -0.25 0.00 0.00 0.00 179.25 179.46 1r1c n ASP 55 N -3.13 0.44 -0.07 0.00 8.00 -1.08 -4.44 116.55 116.27 1r1c n ASP 55 Ca -0.01 -0.54 -0.07 0.00 0.71 0.00 0.00 54.79 54.88 1r1c n ASP 55 Cb 0.76 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.77 1r1c n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1r1c h MET 56 N 0.53 0.18 -0.67 -1.24 1.85 -1.34 -1.85 114.93 112.39 1r1c h MET 56 Ca 0.00 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 1r1c h MET 56 Cb 0.36 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 1r1c h MET 56 CO 0.00 0.12 0.26 0.37 -0.40 0.00 0.00 176.91 177.26 1r1c h GLN 57 N 0.19 1.01 -0.60 0.39 5.75 -1.80 -2.05 115.11 118.00 1r1c h GLN 57 Ca 0.13 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1r1c h GLN 57 Cb 0.12 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1r1c h GLN 57 CO -0.15 0.85 0.28 0.78 -2.65 0.00 0.00 178.83 177.94 1r1c h GLY 58 N 0.96 0.93 1.73 2.39 0.00 -1.77 -0.64 103.07 106.68 1r1c h GLY 58 Ca 0.22 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1r1c h GLY 58 CO -0.02 0.44 -0.33 -2.08 0.00 0.00 0.00 176.54 174.56 1r1c h VAL 59 N 0.82 1.28 0.09 4.60 2.07 -0.94 -2.01 116.25 122.16 1r1c h VAL 59 Ca 0.21 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1r1c h VAL 59 Cb 0.13 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1r1c h VAL 59 CO -0.02 0.41 -0.04 0.58 0.02 0.00 0.00 177.57 178.51 1r1c h VAL 60 N 0.27 1.12 -0.22 2.57 2.07 -1.13 0.66 116.25 121.58 1r1c h VAL 60 Ca 0.03 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1r1c h VAL 60 Cb 0.71 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1r1c h VAL 60 CO 0.05 0.20 0.10 0.74 0.02 0.00 0.00 177.57 178.68 1r1c h THR 61 N -0.50 0.98 0.00 2.57 2.02 -0.99 0.48 112.91 117.48 1r1c h THR 61 Ca -0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1r1c h THR 61 Cb 0.42 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1r1c h THR 61 CO 0.02 0.04 -0.05 0.44 0.37 0.00 0.00 175.52 176.33 1r1c h ASP 62 N 0.21 0.00 -0.22 4.18 3.32 -1.40 -2.70 116.42 119.81 1r1c h ASP 62 Ca 0.09 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1r1c h ASP 62 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1r1c h ASP 62 CO -0.07 0.05 -0.48 1.23 -1.72 0.00 0.00 179.24 178.25 1r1c h GLY 63 N 2.86 0.86 0.69 2.75 0.00 0.62 -1.00 103.07 109.85 1r1c h GLY 63 Ca -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 47.33 46.42 1r1c h GLY 63 CO 0.01 0.85 0.06 1.98 0.00 0.00 0.00 176.54 179.44 1r1c h MET 64 N 0.62 0.17 -0.23 4.80 1.85 -0.67 -2.64 114.93 118.84 1r1c h MET 64 Ca 0.03 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.07 1r1c h MET 64 Cb 1.06 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.03 1r1c h MET 64 CO 0.10 0.11 -0.05 0.00 -0.40 0.00 0.00 176.91 176.68 1r1c h ALA 65 N 1.20 1.50 0.00 0.39 0.00 -1.19 -2.51 119.26 118.66 1r1c h ALA 65 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1r1c h ALA 65 Cb 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r1c h ALA 65 CO -0.16 0.36 -0.11 0.77 0.00 0.00 0.00 179.25 180.11 1r1c h SER 66 N 0.33 0.00 -4.67 0.00 0.02 -0.82 -3.49 113.55 104.94 1r1c h SER 66 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1r1c h SER 66 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1r1c h SER 66 CO 0.01 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 1r1c n GLY 67 N -0.72 0.53 0.14 -3.77 0.00 -0.95 -4.26 105.19 96.16 1r1c n GLY 67 Ca -0.02 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1r1c n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r1c h LEU 68 N 0.00 0.29 -2.44 0.99 5.85 -1.92 -0.30 115.31 117.79 1r1c h LEU 68 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1r1c h LEU 68 Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1r1c h LEU 68 CO 0.00 0.21 -0.00 0.44 -0.34 0.00 0.00 178.44 178.75 1r1c h ASP 69 N 0.37 0.00 -0.57 1.25 5.19 -2.02 -0.30 116.42 120.34 1r1c h ASP 69 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1r1c h ASP 69 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1r1c h ASP 69 CO -0.06 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.35 1r1c n LYS 70 N -3.10 4.75 -1.99 3.56 5.02 -0.60 -4.91 118.16 120.89 1r1c n LYS 70 Ca -0.02 -3.08 -0.15 0.00 -2.02 0.00 0.00 58.31 53.04 1r1c n LYS 70 Cb 0.16 -2.23 -0.03 0.00 -0.02 0.00 0.00 35.03 32.91 1r1c n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r1c n ASP 71 N 0.67 -4.72 -4.16 4.39 8.00 -0.12 -2.28 116.55 118.33 1r1c n ASP 71 Ca 0.27 0.13 -0.33 0.00 0.71 0.00 0.00 54.79 55.57 1r1c n ASP 71 Cb 1.16 -3.75 -0.03 0.00 -0.02 0.00 0.00 41.12 38.48 1r1c n ASP 71 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1r1c n PHE 72 N -3.48 -1.71 -4.08 1.24 3.72 -0.23 -4.67 117.46 108.25 1r1c n PHE 72 Ca -0.17 0.78 -0.17 0.00 -0.05 0.00 0.00 57.45 57.83 1r1c n PHE 72 Cb 0.59 -3.16 -0.16 0.00 -0.94 0.00 0.00 39.48 35.82 1r1c n PHE 72 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1r1c s LEU 73 N -7.20 1.53 0.04 4.37 1.43 -0.97 -4.19 118.68 113.68 1r1c s LEU 73 Ca 0.52 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1r1c s LEU 73 Cb -0.28 -0.30 -0.07 0.00 0.03 0.00 0.00 46.19 45.57 1r1c s LEU 73 CO 0.92 -0.03 1.48 -0.75 0.23 0.00 0.00 176.35 178.20 1r1c s LYS 74 N 0.57 4.26 0.35 1.70 2.20 -1.26 -4.81 119.74 122.75 1r1c s LYS 74 Ca -0.06 2.09 -0.28 0.00 -0.36 0.00 0.00 55.97 57.36 1r1c s LYS 74 Cb -0.10 -3.53 -0.11 0.00 -1.51 0.00 0.00 37.83 32.58 1r1c s LYS 74 CO -0.01 -0.61 1.49 -2.30 -0.36 0.00 0.00 175.35 173.57 1r1c n PRO 75 N 5.24 2.61 -4.16 4.03 -0.02 -1.26 -2.26 135.00 139.19 1r1c n PRO 75 Ca 0.14 0.92 -0.34 0.00 -2.02 0.00 0.00 63.50 62.20 1r1c n PRO 75 Cb 0.42 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 1r1c n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r1c n ASP 76 N 0.87 -2.93 -4.65 2.55 8.00 -1.26 -4.87 116.55 114.26 1r1c n ASP 76 Ca 0.03 -0.99 -0.43 0.00 0.71 0.00 0.00 54.79 54.11 1r1c n ASP 76 Cb 0.38 -2.89 -0.03 0.00 -0.02 0.00 0.00 41.12 38.56 1r1c n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r1c s ASP 77 N -3.48 6.60 0.15 -2.24 -1.08 -0.96 -4.87 116.67 110.80 1r1c s ASP 77 Ca 0.61 1.94 0.20 0.00 -0.52 0.00 0.00 52.55 54.78 1r1c s ASP 77 Cb -0.33 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.44 1r1c s ASP 77 CO 0.91 -1.02 1.63 -1.54 0.52 0.00 0.00 175.17 175.67 1r1c n SER 78 N 7.53 0.41 0.05 -0.34 3.41 -1.26 -2.41 113.62 121.01 1r1c n SER 78 Ca 0.17 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 1r1c n SER 78 Cb 0.44 -0.68 0.36 0.00 -0.26 0.00 0.00 64.21 64.07 1r1c n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1r1c n ARG 79 N -1.94 0.15 -2.87 4.33 1.74 -1.26 -4.84 116.66 111.98 1r1c n ARG 79 Ca 0.03 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1r1c n ARG 79 Cb 0.22 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.98 1r1c n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1r1c s VAL 80 N -3.07 4.75 0.07 1.55 1.01 -1.01 -4.47 120.40 119.22 1r1c s VAL 80 Ca 0.10 1.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 1r1c s VAL 80 Cb 0.15 -4.19 -0.28 0.00 0.00 0.00 0.00 36.38 32.05 1r1c s VAL 80 CO 0.63 -0.25 1.13 0.40 0.00 0.00 0.00 175.10 177.02 1r1c h ILE 81 N 5.58 1.42 -2.08 2.22 2.04 -0.10 -3.47 117.51 123.12 1r1c h ILE 81 Ca -0.23 -2.85 -0.05 0.00 1.00 0.00 0.00 64.86 62.73 1r1c h ILE 81 Cb 1.09 2.87 -0.21 0.00 -0.74 0.00 0.00 36.82 39.83 1r1c h ILE 81 CO 0.91 0.84 0.11 0.00 0.00 0.00 0.00 178.15 180.02 1r1c s ALA 82 N -2.76 -1.70 -0.06 1.87 0.00 -1.20 -4.95 121.76 112.95 1r1c s ALA 82 Ca -0.06 1.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 1r1c s ALA 82 Cb 0.07 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1r1c s ALA 82 CO 0.90 -0.34 0.26 1.14 0.00 0.00 0.00 175.76 177.72 1r1c s GLN 83 N -0.14 0.44 0.57 0.00 -2.07 -1.26 -0.36 119.66 116.83 1r1c s GLN 83 Ca -0.04 0.11 0.08 0.00 -1.82 0.00 0.00 55.36 53.70 1r1c s GLN 83 Cb -0.03 0.20 0.07 0.00 -1.09 0.00 0.00 33.01 32.16 1r1c s GLN 83 CO 0.04 -0.09 0.66 0.95 -1.32 0.00 0.00 175.29 175.53 1r1c s THR 84 N -0.48 1.94 0.80 3.63 -4.23 -0.09 -4.80 115.64 112.41 1r1c s THR 84 Ca -0.06 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1r1c s THR 84 Cb -0.04 -2.12 0.09 0.00 1.34 0.00 0.00 72.50 71.77 1r1c s THR 84 CO 0.02 0.00 1.16 -1.59 -0.54 0.00 0.00 174.62 173.67 1r1c s LYS 85 N -4.54 1.89 -0.07 3.99 -2.85 -1.26 -4.60 119.74 112.30 1r1c s LYS 85 Ca 0.52 -0.01 -0.30 0.00 -1.00 0.00 0.00 55.97 55.18 1r1c s LYS 85 Cb -0.04 -1.98 -0.02 0.00 -2.06 0.00 0.00 37.83 33.72 1r1c s LYS 85 CO 0.33 -1.60 1.09 -1.17 0.10 0.00 0.00 175.35 174.09 1r1c s LEU 86 N -5.54 4.27 0.26 2.77 2.96 -1.26 -4.38 118.68 117.76 1r1c s LEU 86 Ca 0.63 1.66 0.12 0.00 -0.22 0.00 0.00 54.13 56.32 1r1c s LEU 86 Cb -0.10 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1r1c s LEU 86 CO 0.49 -0.49 -0.20 0.27 -1.32 0.00 0.00 176.35 175.10 1r1c s ILE 87 N 2.00 2.52 0.00 6.68 -4.36 0.94 -4.88 121.20 124.10 1r1c s ILE 87 Ca 0.52 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1r1c s ILE 87 Cb -0.21 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1r1c s ILE 87 CO 0.20 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.65 1r1c n GLY 88 N -0.46 7.04 3.59 6.27 0.00 -1.26 -1.62 105.19 118.75 1r1c n GLY 88 Ca -0.07 -1.85 -0.51 0.00 0.00 0.00 0.00 46.02 43.60 1r1c n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r1c n SER 89 N 0.00 1.60 0.00 1.61 2.88 -0.54 -1.28 113.62 117.89 1r1c n SER 89 Ca 0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1r1c n SER 89 Cb 0.00 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 1r1c n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r1c n GLY 90 N 2.39 1.68 3.99 0.46 0.00 0.40 -4.99 105.19 109.12 1r1c n GLY 90 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1r1c n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r1c s GLU 91 N -0.06 2.44 0.11 1.61 2.02 -0.41 -4.91 118.70 119.50 1r1c s GLU 91 Ca 0.00 -1.00 -0.16 0.00 0.02 0.00 0.00 54.97 53.82 1r1c s GLU 91 Cb 0.00 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.73 1r1c s GLU 91 CO 0.00 -0.75 0.40 -1.59 0.02 0.00 0.00 175.26 173.33 1r1c s LYS 92 N -4.73 1.03 -0.11 1.61 -2.85 -1.26 -2.65 119.74 110.78 1r1c s LYS 92 Ca 0.59 -0.64 -0.27 0.00 -1.00 0.00 0.00 55.97 54.64 1r1c s LYS 92 Cb -0.09 0.45 0.07 0.00 -2.06 0.00 0.00 37.83 36.20 1r1c s LYS 92 CO 0.38 -0.39 0.65 0.34 0.10 0.00 0.00 175.35 176.44 1r1c s ASP 93 N -2.63 -0.64 0.19 0.03 2.15 -0.76 -5.02 116.67 109.98 1r1c s ASP 93 Ca 0.01 0.88 0.10 0.00 0.43 0.00 0.00 52.55 53.97 1r1c s ASP 93 Cb 0.01 0.80 -0.04 0.00 -0.30 0.00 0.00 42.92 43.39 1r1c s ASP 93 CO -0.10 -0.48 -0.20 -0.44 -0.17 0.00 0.00 175.17 173.79 1r1c s SER 94 N -0.69 2.97 -0.02 -0.34 0.01 -1.26 0.01 113.70 114.38 1r1c s SER 94 Ca -0.08 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.30 1r1c s SER 94 Cb -0.02 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1r1c s SER 94 CO 0.07 0.01 -0.02 0.54 0.41 0.00 0.00 173.24 174.25 1r1c s VAL 95 N -2.04 0.21 -0.11 3.43 0.11 -0.22 -4.93 120.40 116.85 1r1c s VAL 95 Ca 0.19 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 1r1c s VAL 95 Cb -0.06 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1r1c s VAL 95 CO 0.08 0.11 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.91 1r1c s THR 96 N 0.50 2.82 0.14 5.04 2.01 -1.26 -0.51 115.64 124.38 1r1c s THR 96 Ca -0.05 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1r1c s THR 96 Cb -0.08 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1r1c s THR 96 CO -0.01 0.54 -0.03 0.72 -0.69 0.00 0.00 174.62 175.16 1r1c s PHE 97 N 0.14 1.04 -0.14 4.92 -0.12 -0.63 -4.95 117.98 118.23 1r1c s PHE 97 Ca -0.08 -0.98 -0.29 0.00 -0.05 0.00 0.00 56.93 55.53 1r1c s PHE 97 Cb -0.15 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 1r1c s PHE 97 CO 0.05 -0.20 1.68 -0.51 -0.05 0.00 0.00 175.22 176.20 1r1c s ASP 98 N -3.11 6.45 0.30 1.98 1.01 -1.26 -1.57 116.67 120.47 1r1c s ASP 98 Ca 0.18 1.94 0.06 0.00 0.71 0.00 0.00 52.55 55.45 1r1c s ASP 98 Cb 0.06 -2.53 0.76 0.00 1.01 0.00 0.00 42.92 42.21 1r1c s ASP 98 CO -0.00 -1.15 1.77 0.58 0.21 0.00 0.00 175.17 176.58 1r1c h VAL 99 N 5.94 0.69 0.00 -1.27 2.07 -1.41 0.51 116.25 122.78 1r1c h VAL 99 Ca -0.37 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1r1c h VAL 99 Cb 1.17 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1r1c h VAL 99 CO 0.98 0.14 0.32 -1.54 0.02 0.00 0.00 177.57 177.48 1r1c n SER 100 N -4.78 0.00 -0.28 0.57 3.41 -1.26 0.69 113.62 111.98 1r1c n SER 100 Ca 0.24 0.15 0.14 0.00 -0.26 0.00 0.00 58.87 59.13 1r1c n SER 100 Cb 0.59 -0.15 0.49 0.00 -0.26 0.00 0.00 64.21 64.89 1r1c n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r1c n LYS 101 N -1.13 1.06 -3.11 4.33 5.02 0.18 -4.50 118.16 120.01 1r1c n LYS 101 Ca 0.00 -0.56 -0.45 0.00 -2.02 0.00 0.00 58.31 55.28 1r1c n LYS 101 Cb 0.32 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 1r1c n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r1c s LEU 102 N -2.32 5.82 0.28 -0.35 1.43 0.22 -5.04 118.68 118.71 1r1c s LEU 102 Ca 0.30 -2.34 -0.29 0.00 -1.03 0.00 0.00 54.13 50.77 1r1c s LEU 102 Cb 0.20 -2.31 -0.10 0.00 0.03 0.00 0.00 46.19 44.01 1r1c s LEU 102 CO 0.45 -0.84 1.17 -0.54 0.23 0.00 0.00 176.35 176.82 1r1c s LYS 103 N 1.55 4.54 0.04 1.70 1.02 -1.26 -4.91 119.74 122.43 1r1c s LYS 103 Ca 0.26 1.93 -0.37 0.00 0.02 0.00 0.00 55.97 57.81 1r1c s LYS 103 Cb -0.07 -3.16 -0.16 0.00 -0.52 0.00 0.00 37.83 33.91 1r1c s LYS 103 CO -0.09 0.06 1.42 -1.91 -0.92 0.00 0.00 175.35 173.90 1r1c n GLU 104 N 1.27 1.23 0.00 1.68 2.13 -1.26 -1.79 120.64 123.90 1r1c n GLU 104 Ca -0.00 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1r1c n GLU 104 Cb 0.44 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1r1c n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r1c n GLY 105 N 2.82 2.56 3.61 8.31 0.00 -1.26 -5.05 105.19 116.19 1r1c n GLY 105 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1r1c n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r1c s GLU 106 N -0.36 0.31 -0.06 1.61 0.41 -0.74 -5.06 118.70 114.81 1r1c s GLU 106 Ca 0.00 1.09 0.06 0.00 -0.41 0.00 0.00 54.97 55.71 1r1c s GLU 106 Cb 0.00 -1.68 -0.01 0.00 -1.78 0.00 0.00 34.13 30.66 1r1c s GLU 106 CO 0.00 -2.97 -0.24 -1.01 -0.49 0.00 0.00 175.26 170.55 1r1c s HIS 107 N -2.65 2.39 0.04 1.61 3.76 -1.26 -4.99 115.29 114.19 1r1c s HIS 107 Ca 0.67 -0.73 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 1r1c s HIS 107 Cb -0.22 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 1r1c s HIS 107 CO 0.60 -0.23 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.46 1r1c s TRP 108 N -0.11 2.00 0.06 1.40 0.51 -1.26 -0.32 118.94 121.22 1r1c s TRP 108 Ca -0.05 -0.39 0.09 0.00 -2.12 0.00 0.00 56.10 53.64 1r1c s TRP 108 Cb -0.14 -1.19 -0.03 0.00 -0.81 0.00 0.00 33.47 31.30 1r1c s TRP 108 CO 0.04 0.11 -0.25 -1.64 -0.51 0.00 0.00 176.95 174.70 1r1c s MET 109 N -1.20 1.79 0.18 4.98 -1.94 0.22 -1.38 119.30 121.94 1r1c s MET 109 Ca 0.09 -1.13 0.08 0.00 -1.71 0.00 0.00 55.69 53.03 1r1c s MET 109 Cb -0.09 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.70 1r1c s MET 109 CO 0.02 0.51 -0.05 -0.59 -0.01 0.00 0.00 175.02 174.89 1r1c s PHE 110 N -0.87 2.73 0.00 -0.03 -0.12 -0.44 -1.86 117.98 117.39 1r1c s PHE 110 Ca 0.13 -0.18 -0.29 0.00 -0.05 0.00 0.00 56.93 56.53 1r1c s PHE 110 Cb -0.10 -1.33 0.10 0.00 -0.63 0.00 0.00 43.02 41.07 1r1c s PHE 110 CO 0.03 0.52 1.07 -0.59 -0.05 0.00 0.00 175.22 176.20 1r1c s PHE 111 N -1.73 -0.16 -0.14 3.49 -0.12 -0.60 -1.38 117.98 117.34 1r1c s PHE 111 Ca 0.26 0.00 -0.09 0.00 -0.05 0.00 0.00 56.93 57.06 1r1c s PHE 111 Cb -0.09 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1r1c s PHE 111 CO 0.17 -0.49 0.16 0.00 -0.05 0.00 0.00 175.22 175.01 1r1c n THR 113 N 2.57 0.64 -1.67 0.00 -2.24 -1.26 -3.58 114.28 108.74 1r1c n THR 113 Ca -0.18 -0.82 -0.46 0.00 -2.27 0.00 0.00 64.05 60.33 1r1c n THR 113 Cb 0.54 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 1r1c n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1r1c n PHE 114 N 1.43 2.26 -1.65 4.78 7.35 -1.26 -4.42 117.46 125.95 1r1c n PHE 114 Ca 0.20 0.31 -0.52 0.00 -0.76 0.00 0.00 57.45 56.68 1r1c n PHE 114 Cb 0.59 -2.52 -0.06 0.00 0.35 0.00 0.00 39.48 37.83 1r1c n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1r1c n PRO 115 N 3.06 1.54 0.00 -7.13 -0.02 -1.26 -1.36 135.00 129.82 1r1c n PRO 115 Ca 0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1r1c n PRO 115 Cb 0.30 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1r1c n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r1c n GLY 116 N 3.47 3.17 0.20 -1.23 0.00 -1.26 -4.91 105.19 104.64 1r1c n GLY 116 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1r1c n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1r1c h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.48 -3.14 115.15 116.00 1r1c h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r1c h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1r1c h HIS 117 CO 0.00 0.31 0.00 0.66 0.86 0.00 0.00 177.93 179.76 1r1c h SER 118 N 0.00 0.00 0.25 2.45 4.64 -1.74 0.77 113.55 119.92 1r1c h SER 118 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1r1c h SER 118 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1r1c h SER 118 CO 0.04 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.72 1r1c h ALA 119 N 2.07 1.47 0.00 5.18 0.00 -1.91 -3.32 119.26 122.76 1r1c h ALA 119 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1r1c h ALA 119 Cb 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1r1c h ALA 119 CO 0.00 0.39 -1.98 1.28 0.00 0.00 0.00 179.25 178.94 1r1c n LEU 120 N -4.19 1.75 -4.33 0.00 4.77 -0.97 -4.88 117.00 109.15 1r1c n LEU 120 Ca -0.02 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 1r1c n LEU 120 Cb 0.34 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1r1c n LEU 120 CO 0.38 0.49 1.77 0.23 -1.33 0.00 0.00 177.39 178.93 1r1c n MET 121 N -3.56 3.32 -3.61 3.23 2.81 0.26 -4.77 117.12 114.81 1r1c n MET 121 Ca -0.33 -3.53 -0.14 0.00 -1.81 0.00 0.00 57.70 51.89 1r1c n MET 121 Cb 0.77 -3.17 -0.06 0.00 -0.71 0.00 0.00 33.22 30.05 1r1c n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1r1c s LYS 122 N 2.24 0.99 0.14 0.03 -2.85 -1.26 -1.97 119.74 117.06 1r1c s LYS 122 Ca 0.46 -0.26 -0.24 0.00 -1.00 0.00 0.00 55.97 54.93 1r1c s LYS 122 Cb 0.03 0.45 0.08 0.00 -2.06 0.00 0.00 37.83 36.33 1r1c s LYS 122 CO 0.02 -0.35 1.08 0.20 0.10 0.00 0.00 175.35 176.40 1r1c s GLY 123 N -1.94 -0.02 -0.10 0.59 0.00 -0.48 -4.77 107.32 100.61 1r1c s GLY 123 Ca -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1r1c s GLY 123 CO -0.01 2.25 0.05 -0.51 0.00 0.00 0.00 173.10 174.88 1r1c s THR 124 N -2.35 4.76 -0.13 0.90 -4.23 0.64 -1.33 115.64 113.90 1r1c s THR 124 Ca 0.21 -0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1r1c s THR 124 Cb -0.01 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1r1c s THR 124 CO 0.03 0.61 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.48 1r1c s LEU 125 N -0.93 3.40 0.09 4.79 0.20 -0.48 -0.02 118.68 125.73 1r1c s LEU 125 Ca 0.14 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.98 1r1c s LEU 125 Cb -0.12 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 1r1c s LEU 125 CO 0.03 0.25 -0.12 0.28 -0.29 0.00 0.00 176.35 176.50 1r1c s THR 126 N -0.09 1.01 -0.13 3.68 -1.32 0.36 -4.01 115.64 115.13 1r1c s THR 126 Ca 0.03 -1.52 -0.29 0.00 -1.21 0.00 0.00 61.69 58.70 1r1c s THR 126 Cb -0.13 -1.25 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 1r1c s THR 126 CO 0.02 -0.44 1.22 -0.76 -2.21 0.00 0.00 174.62 172.46 1r1c s LEU 127 N -2.19 4.21 0.00 9.08 1.43 -1.26 -0.51 118.68 129.43 1r1c s LEU 127 Ca 0.03 1.71 0.29 0.00 -1.03 0.00 0.00 54.13 55.12 1r1c s LEU 127 Cb -0.06 -3.54 1.26 0.00 0.03 0.00 0.00 46.19 43.88 1r1c s LEU 127 CO 0.01 -0.69 1.87 1.17 0.23 0.00 0.00 176.35 178.94