#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 4.45 -0.24 0.00 0.41 -1.26 -4.92 118.70 117.14 1r1c s GLU 2 Ca 0.00 1.35 0.10 0.00 -0.41 0.00 0.00 54.97 56.01 1r1c s GLU 2 Cb 0.00 -3.52 0.43 0.00 -1.78 0.00 0.00 34.13 29.26 1r1c s GLU 2 CO 0.00 -0.24 1.21 0.00 -0.49 0.00 0.00 175.26 175.74 1r1c s SER 4 N -3.37 0.45 -0.16 0.00 0.01 -1.26 -1.08 113.70 108.28 1r1c s SER 4 Ca 0.43 -1.18 -0.15 0.00 1.31 0.00 0.00 55.95 56.36 1r1c s SER 4 Cb 0.38 0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.92 1r1c s SER 4 CO -0.03 -0.69 0.43 0.54 0.41 0.00 0.00 173.24 173.90 1r1c s VAL 5 N -3.98 -0.00 -0.11 3.43 0.11 -0.94 -4.94 120.40 113.97 1r1c s VAL 5 Ca 0.22 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.17 1r1c s VAL 5 Cb 0.07 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1r1c s VAL 5 CO 0.01 0.00 0.23 -1.81 -3.33 0.00 0.00 175.10 170.20 1r1c s ASP 6 N 0.32 6.48 0.00 3.54 1.11 -1.26 -1.55 116.67 125.30 1r1c s ASP 6 Ca -0.01 0.57 -0.01 0.00 0.18 0.00 0.00 52.55 53.28 1r1c s ASP 6 Cb -0.03 -2.14 -0.01 0.00 1.07 0.00 0.00 42.92 41.81 1r1c s ASP 6 CO -0.00 0.31 0.01 -0.51 1.18 0.00 0.00 175.17 176.15 1r1c s ILE 7 N -0.61 0.04 0.14 0.77 2.07 0.19 -4.95 121.20 118.85 1r1c s ILE 7 Ca 0.17 -0.35 0.09 0.00 -1.41 0.00 0.00 60.65 59.15 1r1c s ILE 7 Cb -0.13 -0.14 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1r1c s ILE 7 CO 0.06 -0.19 -0.22 -1.10 -1.91 0.00 0.00 174.94 171.58 1r1c s GLN 8 N -0.57 1.29 -0.04 3.50 -0.21 -1.26 -0.47 119.66 121.90 1r1c s GLN 8 Ca -0.06 -1.33 0.05 0.00 0.02 0.00 0.00 55.36 54.03 1r1c s GLN 8 Cb -0.04 -1.55 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 1r1c s GLN 8 CO -0.00 0.35 -0.18 0.20 -2.12 0.00 0.00 175.29 173.53 1r1c s GLY 9 N -2.28 0.94 0.00 3.09 0.00 -0.80 -0.92 107.32 107.35 1r1c s GLY 9 Ca 0.13 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1r1c s GLY 9 CO 0.06 -0.44 0.00 1.16 0.00 0.00 0.00 173.10 173.88 1r1c n ASN 10 N 3.02 1.71 0.08 1.64 0.23 -0.40 -3.74 115.26 117.80 1r1c n ASN 10 Ca -0.17 -0.45 0.13 0.00 -0.53 0.00 0.00 54.58 53.56 1r1c n ASN 10 Cb 0.53 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.67 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 -0.57 0.64 -1.88 0.53 8.00 -1.26 -3.30 116.55 118.71 1r1c n ASP 11 Ca 0.00 0.54 -0.20 0.00 0.71 0.00 0.00 54.79 55.83 1r1c n ASP 11 Cb 0.00 -0.70 0.14 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.09 2.42 -3.38 -1.24 6.02 -1.26 -4.95 117.38 112.90 1r1c n GLN 12 Ca 0.06 -3.32 -0.18 0.00 -0.01 0.00 0.00 57.00 53.56 1r1c n GLN 12 Cb 0.41 -2.10 0.08 0.00 1.02 0.00 0.00 30.24 29.65 1r1c n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1r1c n MET 13 N -1.02 -6.49 -4.09 -1.09 1.56 -1.21 -5.00 117.12 99.78 1r1c n MET 13 Ca 0.50 0.78 -0.15 0.00 -0.27 0.00 0.00 57.70 58.56 1r1c n MET 13 Cb 1.10 -5.62 -0.14 0.00 2.15 0.00 0.00 33.22 30.71 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 -5.53 0.35 0.31 2.12 -1.52 -1.26 -4.36 119.66 109.76 1r1c s GLN 14 Ca 0.15 -0.22 -0.16 0.00 -1.95 0.00 0.00 55.36 53.19 1r1c s GLN 14 Cb -0.07 -0.31 -0.09 0.00 -0.22 0.00 0.00 33.01 32.32 1r1c s GLN 14 CO 0.67 0.08 0.74 -0.06 -0.25 0.00 0.00 175.29 176.47 1r1c s PHE 15 N -0.25 3.42 -2.12 0.91 0.08 -1.26 -1.28 117.98 117.48 1r1c s PHE 15 Ca 0.00 1.25 0.23 0.00 0.12 0.00 0.00 56.93 58.53 1r1c s PHE 15 Cb -0.03 -2.55 1.19 0.00 -0.57 0.00 0.00 43.02 41.06 1r1c s PHE 15 CO -0.00 0.13 1.79 0.27 -0.10 0.00 0.00 175.22 177.31 1r1c n ASN 16 N -0.18 0.56 -3.97 1.36 6.94 -0.10 -4.74 115.26 115.13 1r1c n ASN 16 Ca 0.03 -1.41 -0.09 0.00 -0.02 0.00 0.00 54.58 53.09 1r1c n ASN 16 Cb 0.53 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.82 1r1c n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1r1c s THR 17 N -1.95 0.13 -0.11 5.53 -1.32 -1.26 -4.98 115.64 111.68 1r1c s THR 17 Ca 0.34 -1.08 0.11 0.00 -1.21 0.00 0.00 61.69 59.85 1r1c s THR 17 Cb 0.17 -0.65 0.18 0.00 -1.51 0.00 0.00 72.50 70.69 1r1c s THR 17 CO 0.27 -0.59 1.11 0.59 -2.21 0.00 0.00 174.62 173.79 1r1c n ASN 18 N 1.12 2.30 -3.63 8.08 3.02 -1.26 -4.87 115.26 120.03 1r1c n ASN 18 Ca -0.21 -2.59 -0.05 0.00 -0.03 0.00 0.00 54.58 51.70 1r1c n ASN 18 Cb 0.57 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1r1c n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r1c s ALA 19 N -2.02 -2.05 0.05 5.41 0.00 -1.26 -2.09 121.76 119.80 1r1c s ALA 19 Ca 0.19 2.34 0.09 0.00 0.00 0.00 0.00 51.96 54.58 1r1c s ALA 19 Cb 0.16 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1r1c s ALA 19 CO 0.03 -0.44 -0.25 0.42 0.00 0.00 0.00 175.76 175.51 1r1c s ILE 20 N 1.70 2.26 -0.12 0.00 1.01 0.18 -4.96 121.20 121.27 1r1c s ILE 20 Ca -0.09 -1.39 0.02 0.00 0.00 0.00 0.00 60.65 59.19 1r1c s ILE 20 Cb -0.05 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1r1c s ILE 20 CO -0.18 0.34 -0.20 -0.89 0.00 0.00 0.00 174.94 174.01 1r1c s THR 21 N -0.85 1.85 -0.13 2.92 2.01 -1.26 -1.90 115.64 118.28 1r1c s THR 21 Ca 0.12 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1r1c s THR 21 Cb -0.10 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1r1c s THR 21 CO 0.03 0.51 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1r1c s VAL 22 N 0.83 2.87 0.01 3.82 1.01 -0.75 -5.00 120.40 123.19 1r1c s VAL 22 Ca -0.08 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1r1c s VAL 22 Cb -0.16 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1r1c s VAL 22 CO -0.01 0.53 1.05 -0.62 0.00 0.00 0.00 175.10 176.05 1r1c s ASP 23 N 0.39 7.27 0.65 3.32 -1.08 -1.26 -4.20 116.67 121.75 1r1c s ASP 23 Ca -0.12 1.76 0.41 0.00 -0.52 0.00 0.00 52.55 54.08 1r1c s ASP 23 Cb -0.16 -2.57 2.26 0.00 -1.46 0.00 0.00 42.92 40.99 1r1c s ASP 23 CO 0.06 -0.34 2.33 0.11 0.52 0.00 0.00 175.17 177.85 1r1c h LYS 24 N 6.84 0.00 0.00 4.34 1.57 -1.98 -1.16 116.57 126.18 1r1c h LYS 24 Ca -0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1r1c h LYS 24 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1r1c h LYS 24 CO 0.78 0.00 -0.17 0.66 -0.57 0.00 0.00 179.45 180.15 1r1c h SER 25 N 0.00 0.00 -2.50 0.86 4.64 -1.97 -3.44 113.55 111.14 1r1c h SER 25 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1r1c h SER 25 Cb 0.03 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1r1c h SER 25 CO 0.00 0.17 1.14 0.00 -0.87 0.00 0.00 176.83 177.27 1r1c h LYS 27 N 9.54 0.19 -5.64 0.00 3.64 -1.89 -3.41 116.57 118.99 1r1c h LYS 27 Ca -0.46 -0.28 -0.48 0.00 -1.27 0.00 0.00 60.65 58.16 1r1c h LYS 27 Cb 1.22 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 1r1c h LYS 27 CO 0.94 1.09 -0.72 -0.65 -2.27 0.00 0.00 179.45 177.84 1r1c s GLN 28 N -2.84 1.43 0.04 1.90 -0.21 -1.26 -1.43 119.66 117.29 1r1c s GLN 28 Ca -0.02 -1.66 0.06 0.00 0.02 0.00 0.00 55.36 53.75 1r1c s GLN 28 Cb 0.09 -1.22 -0.02 0.00 1.00 0.00 0.00 33.01 32.85 1r1c s GLN 28 CO 0.85 0.17 -0.17 0.12 -2.12 0.00 0.00 175.29 174.14 1r1c s PHE 29 N -2.91 1.53 -0.09 0.91 5.36 -0.47 -4.79 117.98 117.52 1r1c s PHE 29 Ca 0.25 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.91 1r1c s PHE 29 Cb -0.00 -0.92 -0.00 0.00 -0.34 0.00 0.00 43.02 41.76 1r1c s PHE 29 CO 0.09 0.06 -0.24 0.99 -1.46 0.00 0.00 175.22 174.66 1r1c s THR 30 N -0.77 2.04 -0.23 0.12 2.01 -0.24 -1.32 115.64 117.25 1r1c s THR 30 Ca 0.05 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1r1c s THR 30 Cb -0.08 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.71 1r1c s THR 30 CO 0.01 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 1r1c s VAL 31 N 0.24 2.27 -0.43 3.82 1.01 -0.19 -2.21 120.40 124.93 1r1c s VAL 31 Ca -0.16 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1r1c s VAL 31 Cb -0.17 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.10 1r1c s VAL 31 CO 0.08 0.25 0.32 0.20 0.00 0.00 0.00 175.10 175.95 1r1c s ASN 32 N 1.22 6.08 -0.11 3.32 0.01 -0.60 -1.64 114.94 123.22 1r1c s ASN 32 Ca -0.01 -1.07 -0.05 0.00 -0.71 0.00 0.00 52.86 51.01 1r1c s ASN 32 Cb -0.16 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1r1c s ASN 32 CO -0.08 -0.51 0.08 -0.22 -1.51 0.00 0.00 177.10 174.85 1r1c s LEU 33 N 1.65 4.03 0.13 0.60 2.96 0.97 -0.64 118.68 128.38 1r1c s LEU 33 Ca 0.04 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1r1c s LEU 33 Cb -0.21 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1r1c s LEU 33 CO 0.08 0.39 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.49 1r1c s SER 34 N -0.90 1.40 -0.30 3.68 1.04 0.38 -1.01 113.70 117.98 1r1c s SER 34 Ca 0.14 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.54 1r1c s SER 34 Cb -0.12 0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.15 1r1c s SER 34 CO 0.03 -0.44 0.03 -2.28 0.98 0.00 0.00 173.24 171.56 1r1c s HIS 35 N -3.52 2.88 0.96 5.02 2.46 -0.76 -1.90 115.29 120.42 1r1c s HIS 35 Ca 0.16 -2.34 -0.16 0.00 0.47 0.00 0.00 55.06 53.19 1r1c s HIS 35 Cb 0.04 -2.24 0.20 0.00 -0.13 0.00 0.00 32.58 30.45 1r1c s HIS 35 CO -0.01 -0.89 1.31 -1.25 -2.47 0.00 0.00 174.74 171.43 1r1c s PRO 36 N 1.22 0.66 0.00 2.88 0.04 -1.24 -1.22 135.00 137.33 1r1c s PRO 36 Ca 0.06 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1r1c s PRO 36 Cb -0.19 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1r1c s PRO 36 CO -0.12 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1r1c n GLY 37 N -3.64 1.64 0.43 0.56 0.00 -1.26 -4.43 105.19 98.49 1r1c n GLY 37 Ca 0.15 -1.88 0.09 0.00 0.00 0.00 0.00 46.02 44.38 1r1c n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r1c n ASN 38 N -0.18 1.83 -4.89 1.61 4.05 -1.26 -3.98 115.26 112.44 1r1c n ASN 38 Ca 0.00 -1.41 -0.31 0.00 0.45 0.00 0.00 54.58 53.31 1r1c n ASN 38 Cb 0.00 0.46 -0.05 0.00 1.23 0.00 0.00 39.78 41.42 1r1c n ASN 38 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1r1c s LEU 39 N -2.21 4.17 0.75 1.20 1.43 -1.26 -4.81 118.68 117.96 1r1c s LEU 39 Ca 0.16 0.79 -0.06 0.00 -1.03 0.00 0.00 54.13 53.99 1r1c s LEU 39 Cb 0.15 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.93 1r1c s LEU 39 CO 0.47 -0.06 1.06 -2.16 0.23 0.00 0.00 176.35 175.88 1r1c s PRO 40 N -2.91 1.73 0.50 1.29 0.04 -1.26 -1.07 135.00 133.32 1r1c s PRO 40 Ca 0.45 -0.59 0.29 0.00 0.04 0.00 0.00 61.00 61.19 1r1c s PRO 40 Cb -0.11 -2.17 1.15 0.00 0.04 0.00 0.00 34.50 33.41 1r1c s PRO 40 CO 0.24 -1.52 1.91 1.57 0.04 0.00 0.00 177.00 179.24 1r1c h LYS 41 N -0.75 0.00 0.00 4.56 2.10 -1.82 0.16 116.57 120.81 1r1c h LYS 41 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1r1c h LYS 41 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1r1c h LYS 41 CO 0.49 0.11 0.00 0.27 -2.00 0.00 0.00 179.45 178.31 1r1c n ASN 42 N -3.25 0.38 0.00 7.07 6.94 -1.26 -1.51 115.26 123.63 1r1c n ASN 42 Ca 0.00 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 55.11 1r1c n ASN 42 Cb 0.36 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 1r1c n ASN 42 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1r1c n VAL 43 N -1.87 0.00 -2.82 3.53 0.24 -1.08 -4.84 118.33 111.49 1r1c n VAL 43 Ca 0.05 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1r1c n VAL 43 Cb 0.33 0.07 0.05 0.00 -1.47 0.00 0.00 33.84 32.82 1r1c n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1r1c n MET 44 N -1.19 1.68 -2.07 7.34 0.00 0.02 -5.02 117.12 117.88 1r1c n MET 44 Ca 0.00 -3.37 -0.38 0.00 0.00 0.00 0.00 57.70 53.95 1r1c n MET 44 Cb 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.84 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 -3.65 2.86 -0.03 -5.12 0.00 -0.57 -4.64 107.32 96.17 1r1c s GLY 45 Ca 0.26 1.14 0.03 0.00 0.00 0.00 0.00 44.72 46.15 1r1c s GLY 45 CO -0.05 1.66 -0.11 0.30 0.00 0.00 0.00 173.10 174.90 1r1c s HIS 46 N -1.38 1.19 0.37 1.90 3.76 0.00 -4.65 115.29 116.49 1r1c s HIS 46 Ca 0.63 -0.32 0.05 0.00 -0.15 0.00 0.00 55.06 55.26 1r1c s HIS 46 Cb -0.35 -0.84 -0.06 0.00 1.11 0.00 0.00 32.58 32.44 1r1c s HIS 46 CO 0.43 -0.13 0.04 0.54 -0.85 0.00 0.00 174.74 174.78 1r1c s ASN 47 N 0.18 2.99 -0.27 1.40 2.20 -1.26 -0.45 114.94 119.73 1r1c s ASN 47 Ca -0.04 -1.41 -0.02 0.00 -0.94 0.00 0.00 52.86 50.45 1r1c s ASN 47 Cb -0.10 -0.10 0.03 0.00 -2.00 0.00 0.00 41.25 39.08 1r1c s ASN 47 CO 0.01 -0.60 -0.03 0.12 -2.94 0.00 0.00 177.10 173.67 1r1c s PHE 48 N -3.08 3.13 -0.07 1.54 5.36 -1.26 -3.94 117.98 119.67 1r1c s PHE 48 Ca 0.33 -1.59 0.03 0.00 -0.96 0.00 0.00 56.93 54.74 1r1c s PHE 48 Cb 0.08 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1r1c s PHE 48 CO 0.15 -0.74 -0.18 0.08 -1.46 0.00 0.00 175.22 173.08 1r1c s VAL 49 N 1.32 1.53 -0.09 3.12 1.01 -0.76 -0.59 120.40 125.93 1r1c s VAL 49 Ca -0.01 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1r1c s VAL 49 Cb -0.18 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1r1c s VAL 49 CO -0.03 0.44 -0.23 -0.22 0.00 0.00 0.00 175.10 175.07 1r1c s LEU 50 N 0.37 2.04 0.00 3.92 2.96 -0.24 -1.35 118.68 126.39 1r1c s LEU 50 Ca -0.13 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1r1c s LEU 50 Cb -0.15 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.20 1r1c s LEU 50 CO 0.05 0.15 0.31 -1.54 -1.32 0.00 0.00 176.35 174.00 1r1c n SER 51 N 3.50 -0.85 -4.72 3.68 3.41 -0.74 -0.46 113.62 117.45 1r1c n SER 51 Ca -0.19 -2.29 -0.32 0.00 -0.26 0.00 0.00 58.87 55.81 1r1c n SER 51 Cb 0.53 1.62 0.12 0.00 -0.26 0.00 0.00 64.21 66.22 1r1c n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1r1c s THR 52 N -2.71 2.58 0.39 6.66 -4.23 -1.26 -1.31 115.64 115.75 1r1c s THR 52 Ca 0.20 0.21 0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1r1c s THR 52 Cb -0.00 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.54 1r1c s THR 52 CO 0.15 -0.23 1.96 0.00 -0.54 0.00 0.00 174.62 175.96 1r1c h ALA 53 N -1.29 1.56 -0.05 3.99 0.00 -1.20 -2.48 119.26 119.79 1r1c h ALA 53 Ca -0.44 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 1r1c h ALA 53 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1r1c h ALA 53 CO 0.47 0.33 -0.66 0.00 0.00 0.00 0.00 179.25 179.38 1r1c h ALA 54 N 1.66 0.80 -0.00 0.00 0.00 -1.91 -3.06 119.26 116.74 1r1c h ALA 54 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1r1c h ALA 54 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1r1c h ALA 54 CO 0.00 0.78 -0.16 -0.25 0.00 0.00 0.00 179.25 179.62 1r1c n ASP 55 N -3.82 0.35 -0.14 0.00 8.00 -0.96 -4.35 116.55 115.63 1r1c n ASP 55 Ca -0.02 -0.22 -0.08 0.00 0.71 0.00 0.00 54.79 55.17 1r1c n ASP 55 Cb 0.66 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 0.29 0.58 -0.92 -1.24 4.05 -1.38 -2.55 114.93 113.76 1r1c h MET 56 Ca 0.00 -0.06 0.10 0.00 -0.28 0.00 0.00 59.70 59.46 1r1c h MET 56 Cb 0.42 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.04 1r1c h MET 56 CO 0.00 0.44 0.59 0.37 0.23 0.00 0.00 176.91 178.54 1r1c h GLN 57 N 0.55 0.90 -0.01 0.39 5.75 -1.81 -1.74 115.11 119.14 1r1c h GLN 57 Ca 0.15 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 1r1c h GLN 57 Cb 0.01 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.37 1r1c h GLN 57 CO -0.03 0.59 -0.26 0.78 -2.65 0.00 0.00 178.83 177.27 1r1c h GLY 58 N 0.92 0.22 -0.36 2.39 0.00 -1.78 0.10 103.07 104.57 1r1c h GLY 58 Ca 0.43 -0.36 0.11 0.00 0.00 0.00 0.00 47.33 47.50 1r1c h GLY 58 CO -0.19 0.32 -0.28 -2.08 0.00 0.00 0.00 176.54 174.31 1r1c h VAL 59 N -0.43 0.23 -0.06 4.60 2.07 -1.36 0.69 116.25 121.99 1r1c h VAL 59 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1r1c h VAL 59 Cb 0.98 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1r1c h VAL 59 CO 0.05 0.00 0.03 0.58 0.02 0.00 0.00 177.57 178.25 1r1c h VAL 60 N -0.12 1.12 -0.15 2.57 2.07 -1.27 0.49 116.25 120.95 1r1c h VAL 60 Ca 0.25 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1r1c h VAL 60 Cb 0.53 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1r1c h VAL 60 CO -0.67 0.10 0.01 0.74 0.02 0.00 0.00 177.57 177.77 1r1c h THR 61 N -0.04 1.24 0.00 2.57 2.02 -0.47 -1.03 112.91 117.20 1r1c h THR 61 Ca 0.02 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1r1c h THR 61 Cb 0.14 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1r1c h THR 61 CO -0.00 0.23 -0.19 0.44 0.37 0.00 0.00 175.52 176.37 1r1c h ASP 62 N 0.02 0.00 -0.07 4.18 3.32 -0.87 -2.94 116.42 120.06 1r1c h ASP 62 Ca 0.04 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.87 1r1c h ASP 62 Cb 0.34 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.90 1r1c h ASP 62 CO 0.01 0.19 -0.81 1.23 -1.72 0.00 0.00 179.24 178.14 1r1c h GLY 63 N 2.10 0.81 0.88 2.75 0.00 0.41 -2.11 103.07 107.90 1r1c h GLY 63 Ca -0.00 -1.18 0.03 0.00 0.00 0.00 0.00 47.33 46.18 1r1c h GLY 63 CO 0.03 1.05 0.41 1.98 0.00 0.00 0.00 176.54 180.00 1r1c h MET 64 N 0.49 0.78 0.00 4.80 1.85 -1.16 0.07 114.93 121.75 1r1c h MET 64 Ca -0.06 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 1r1c h MET 64 Cb 1.44 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 33.29 1r1c h MET 64 CO 0.16 0.51 -0.02 0.00 -0.40 0.00 0.00 176.91 177.16 1r1c h ALA 65 N 1.28 1.65 0.00 0.39 0.00 -1.40 -2.31 119.26 118.87 1r1c h ALA 65 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1r1c h ALA 65 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1r1c h ALA 65 CO -0.10 0.03 0.00 0.77 0.00 0.00 0.00 179.25 179.95 1r1c h SER 66 N 0.00 0.00 -4.02 0.00 0.02 -0.28 -3.49 113.55 105.79 1r1c h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r1c h SER 66 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1r1c h SER 66 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1r1c n GLY 67 N 0.61 -1.98 0.30 -3.77 0.00 -0.87 -4.01 105.19 95.47 1r1c n GLY 67 Ca 0.03 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 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 0.90 -1.73 0.99 5.85 -1.90 0.26 115.31 119.67 1r1c h LEU 68 Ca 0.00 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1r1c h LEU 68 Cb 0.00 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1r1c h LEU 68 CO 0.00 0.67 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.84 1r1c h ASP 69 N 1.05 0.00 -0.48 1.25 3.58 -2.01 0.53 116.42 120.34 1r1c h ASP 69 Ca 0.28 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.61 1r1c h ASP 69 Cb -0.09 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 40.89 1r1c h ASP 69 CO -0.06 0.15 0.15 0.29 -2.88 0.00 0.00 179.24 176.90 1r1c n LYS 70 N -4.24 3.01 -1.95 0.28 5.02 -0.73 -4.89 118.16 114.66 1r1c n LYS 70 Ca -0.02 -2.08 -0.16 0.00 -2.02 0.00 0.00 58.31 54.02 1r1c n LYS 70 Cb 0.22 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.26 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 0.07 -4.90 -3.32 4.39 8.00 0.18 -1.91 116.55 119.06 1r1c n ASP 71 Ca 0.26 0.16 -0.23 0.00 0.71 0.00 0.00 54.79 55.70 1r1c n ASP 71 Cb 1.03 -3.93 -0.00 0.00 -0.02 0.00 0.00 41.12 38.19 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 -3.38 -1.77 -4.79 1.24 3.72 0.00 -4.68 117.46 107.81 1r1c n PHE 72 Ca -0.18 0.45 -0.26 0.00 -0.05 0.00 0.00 57.45 57.40 1r1c n PHE 72 Cb 0.60 -2.91 -0.16 0.00 -0.94 0.00 0.00 39.48 36.07 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 -6.44 1.83 0.18 4.37 1.43 -0.80 -3.89 118.68 115.36 1r1c s LEU 73 Ca 0.38 -0.36 -0.32 0.00 -1.03 0.00 0.00 54.13 52.80 1r1c s LEU 73 Cb -0.20 -0.98 -0.11 0.00 0.03 0.00 0.00 46.19 44.93 1r1c s LEU 73 CO 0.47 0.10 1.67 -0.75 0.23 0.00 0.00 176.35 178.07 1r1c s LYS 74 N 0.36 4.16 0.34 1.70 2.20 -1.26 -4.84 119.74 122.40 1r1c s LYS 74 Ca -0.11 2.51 -0.29 0.00 -0.36 0.00 0.00 55.97 57.72 1r1c s LYS 74 Cb -0.14 -3.14 -0.12 0.00 -1.51 0.00 0.00 37.83 32.92 1r1c s LYS 74 CO 0.04 -0.70 1.44 -2.30 -0.36 0.00 0.00 175.35 173.47 1r1c n PRO 75 N 4.11 2.47 -3.75 4.03 -0.02 -1.26 -2.95 135.00 137.62 1r1c n PRO 75 Ca 0.15 0.87 -0.24 0.00 -2.02 0.00 0.00 63.50 62.26 1r1c n PRO 75 Cb 0.37 -2.56 0.02 0.00 -0.02 0.00 0.00 33.50 31.31 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 1.00 -1.79 -4.55 2.55 8.00 -1.26 -4.89 116.55 115.61 1r1c n ASP 76 Ca 0.04 -0.90 -0.43 0.00 0.71 0.00 0.00 54.79 54.21 1r1c n ASP 76 Cb 0.37 -3.70 -0.05 0.00 -0.02 0.00 0.00 41.12 37.72 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 -4.19 6.45 0.00 -2.24 -1.08 -1.15 -4.90 116.67 109.56 1r1c s ASP 77 Ca 0.10 -0.03 0.18 0.00 -0.52 0.00 0.00 52.55 52.27 1r1c s ASP 77 Cb -0.03 -2.42 0.94 0.00 -1.46 0.00 0.00 42.92 39.95 1r1c s ASP 77 CO 0.84 -1.01 1.51 -1.54 0.52 0.00 0.00 175.17 175.49 1r1c n SER 78 N 7.00 0.00 0.16 -0.34 3.41 -1.26 -1.43 113.62 121.16 1r1c n SER 78 Ca 0.04 -0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.58 1r1c n SER 78 Cb 0.48 -0.20 0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1r1c n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1r1c h ARG 79 N 0.00 0.00 -5.83 4.33 3.08 -1.97 -3.44 114.38 110.54 1r1c h ARG 79 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1r1c h ARG 79 Cb 0.11 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.06 1r1c h ARG 79 CO 0.00 0.22 0.43 0.08 -1.07 0.00 0.00 179.97 179.63 1r1c s VAL 80 N -3.11 4.74 0.11 2.04 1.01 -0.51 -4.46 120.40 120.22 1r1c s VAL 80 Ca 0.04 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 1r1c s VAL 80 Cb 0.07 -4.20 -0.21 0.00 0.00 0.00 0.00 36.38 32.04 1r1c s VAL 80 CO 0.73 -0.36 1.25 0.40 0.00 0.00 0.00 175.10 177.12 1r1c h ILE 81 N 5.69 1.38 -2.81 2.22 2.04 -1.07 -3.47 117.51 121.49 1r1c h ILE 81 Ca -0.24 -2.49 -0.13 0.00 1.00 0.00 0.00 64.86 63.00 1r1c h ILE 81 Cb 1.09 2.50 -0.24 0.00 -0.74 0.00 0.00 36.82 39.43 1r1c h ILE 81 CO 0.91 0.75 -0.26 0.00 0.00 0.00 0.00 178.15 179.54 1r1c s ALA 82 N -3.18 -0.95 -0.09 1.87 0.00 -1.22 -4.90 121.76 113.30 1r1c s ALA 82 Ca -0.06 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1r1c s ALA 82 Cb 0.08 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1r1c s ALA 82 CO 0.88 -0.19 0.29 1.14 0.00 0.00 0.00 175.76 177.89 1r1c s GLN 83 N 0.06 0.43 0.68 0.00 -2.07 -1.26 -1.08 119.66 116.42 1r1c s GLN 83 Ca -0.01 0.24 0.04 0.00 -1.82 0.00 0.00 55.36 53.81 1r1c s GLN 83 Cb -0.03 0.20 0.12 0.00 -1.09 0.00 0.00 33.01 32.22 1r1c s GLN 83 CO 0.01 -0.08 0.93 0.95 -1.32 0.00 0.00 175.29 175.79 1r1c s THR 84 N -0.25 2.04 0.71 3.63 -4.23 0.24 -4.82 115.64 112.96 1r1c s THR 84 Ca -0.04 -0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1r1c s THR 84 Cb -0.03 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.57 1r1c s THR 84 CO 0.01 0.00 1.09 -1.59 -0.54 0.00 0.00 174.62 173.59 1r1c s LYS 85 N -4.98 2.81 -0.04 3.99 -2.85 -1.26 -4.68 119.74 112.73 1r1c s LYS 85 Ca 0.66 0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 55.86 1r1c s LYS 85 Cb -0.05 -2.01 -0.05 0.00 -2.06 0.00 0.00 37.83 33.67 1r1c s LYS 85 CO 0.43 -1.09 1.43 -1.17 0.10 0.00 0.00 175.35 175.05 1r1c s LEU 86 N -5.42 4.29 0.25 2.77 2.96 -1.26 -4.39 118.68 117.88 1r1c s LEU 86 Ca 0.58 2.06 0.08 0.00 -0.22 0.00 0.00 54.13 56.64 1r1c s LEU 86 Cb -0.12 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1r1c s LEU 86 CO 0.52 -0.77 -0.13 0.27 -1.32 0.00 0.00 176.35 174.92 1r1c s ILE 87 N 2.98 1.89 0.08 6.68 -4.36 0.40 -4.87 121.20 123.99 1r1c s ILE 87 Ca 0.64 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1r1c s ILE 87 Cb -0.30 -2.24 -0.00 0.00 1.25 0.00 0.00 42.46 41.17 1r1c s ILE 87 CO 0.25 -0.45 0.01 0.61 0.24 0.00 0.00 174.94 175.60 1r1c n GLY 88 N -0.51 4.02 3.58 6.27 0.00 -1.26 -0.82 105.19 116.48 1r1c n GLY 88 Ca -0.06 -2.07 -0.54 0.00 0.00 0.00 0.00 46.02 43.35 1r1c n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r1c n SER 89 N -1.58 1.43 0.00 1.61 3.41 -0.23 -1.10 113.62 117.16 1r1c n SER 89 Ca -0.02 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1r1c n SER 89 Cb 0.11 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1r1c n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r1c n GLY 90 N 2.48 0.50 4.01 5.00 0.00 -0.35 -4.98 105.19 111.84 1r1c n GLY 90 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.41 2.47 0.02 1.61 2.02 -0.26 -4.91 118.70 119.25 1r1c s GLU 91 Ca 0.00 -1.27 -0.16 0.00 0.02 0.00 0.00 54.97 53.56 1r1c s GLU 91 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.63 1r1c s GLU 91 CO 0.00 -0.68 0.36 -1.59 0.02 0.00 0.00 175.26 173.37 1r1c s LYS 92 N -4.62 0.80 -0.09 1.61 -2.85 -1.26 -1.83 119.74 111.51 1r1c s LYS 92 Ca 0.59 -0.31 -0.17 0.00 -1.00 0.00 0.00 55.97 55.07 1r1c s LYS 92 Cb -0.08 0.36 0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1r1c s LYS 92 CO 0.37 -0.25 0.42 0.34 0.10 0.00 0.00 175.35 176.33 1r1c s ASP 93 N -1.74 -0.38 0.06 0.03 2.15 -0.18 -5.01 116.67 111.60 1r1c s ASP 93 Ca -0.08 0.54 0.09 0.00 0.43 0.00 0.00 52.55 53.53 1r1c s ASP 93 Cb -0.02 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1r1c s ASP 93 CO 0.00 -0.33 -0.23 -0.44 -0.17 0.00 0.00 175.17 174.00 1r1c s SER 94 N -0.58 3.47 -0.01 -0.34 0.01 -1.26 -0.02 113.70 114.97 1r1c s SER 94 Ca -0.07 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1r1c s SER 94 Cb -0.04 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.78 1r1c s SER 94 CO 0.03 0.25 -0.00 0.54 0.41 0.00 0.00 173.24 174.47 1r1c s VAL 95 N -0.90 0.06 0.01 3.43 0.11 -0.65 -4.91 120.40 117.55 1r1c s VAL 95 Ca 0.13 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.28 1r1c s VAL 95 Cb -0.10 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1r1c s VAL 95 CO 0.04 0.05 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.74 1r1c s THR 96 N 0.28 2.39 0.14 5.04 2.01 -1.26 -1.02 115.64 123.22 1r1c s THR 96 Ca -0.02 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 60.83 1r1c s THR 96 Cb -0.04 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1r1c s THR 96 CO -0.01 0.47 0.02 0.72 -0.69 0.00 0.00 174.62 175.13 1r1c s PHE 97 N -0.75 0.97 0.04 4.92 -0.12 -0.44 -4.96 117.98 117.64 1r1c s PHE 97 Ca 0.12 -1.11 -0.27 0.00 -0.05 0.00 0.00 56.93 55.62 1r1c s PHE 97 Cb -0.10 -0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 41.68 1r1c s PHE 97 CO 0.01 -0.35 0.84 -0.51 -0.05 0.00 0.00 175.22 175.16 1r1c s ASP 98 N -3.09 7.28 0.36 1.98 1.01 -1.26 -1.36 116.67 121.59 1r1c s ASP 98 Ca 0.21 1.54 0.09 0.00 0.71 0.00 0.00 52.55 55.10 1r1c s ASP 98 Cb 0.07 -2.51 0.70 0.00 1.01 0.00 0.00 42.92 42.19 1r1c s ASP 98 CO 0.01 -0.07 1.86 0.58 0.21 0.00 0.00 175.17 177.76 1r1c h VAL 99 N 4.31 1.21 -0.29 -1.27 2.07 -1.48 -1.39 116.25 119.41 1r1c h VAL 99 Ca -0.43 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 66.22 1r1c h VAL 99 Cb 1.21 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1r1c h VAL 99 CO 0.72 0.30 0.60 0.77 0.02 0.00 0.00 177.57 179.98 1r1c h SER 100 N 0.23 0.00 0.87 0.57 4.64 -1.88 0.26 113.55 118.25 1r1c h SER 100 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1r1c h SER 100 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1r1c h SER 100 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1r1c n LYS 101 N -3.16 0.22 -2.72 4.77 5.02 -0.52 -4.34 118.16 117.42 1r1c n LYS 101 Ca 0.05 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 1r1c n LYS 101 Cb 0.72 -1.88 -0.03 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 -4.56 3.80 -0.03 -0.35 1.43 0.91 -5.01 118.68 114.88 1r1c s LEU 102 Ca 0.05 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 1r1c s LEU 102 Cb 0.10 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1r1c s LEU 102 CO 0.43 -1.54 0.45 -0.54 0.23 0.00 0.00 176.35 175.38 1r1c s LYS 103 N 4.71 4.10 0.18 1.70 1.02 -1.26 -4.97 119.74 125.22 1r1c s LYS 103 Ca 0.31 0.46 -0.32 0.00 0.02 0.00 0.00 55.97 56.43 1r1c s LYS 103 Cb -0.12 -3.30 -0.15 0.00 -0.52 0.00 0.00 37.83 33.74 1r1c s LYS 103 CO 0.16 0.51 1.19 -1.91 -0.92 0.00 0.00 175.35 174.37 1r1c n GLU 104 N 2.43 1.29 -0.27 1.68 4.07 -1.26 -1.61 120.64 126.97 1r1c n GLU 104 Ca -0.11 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 1r1c n GLU 104 Cb 0.52 -1.98 0.00 0.00 -0.06 0.00 0.00 31.44 29.92 1r1c n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1r1c n GLY 105 N 2.02 1.66 3.95 8.31 0.00 -1.26 -5.05 105.19 114.81 1r1c n GLY 105 Ca 0.14 0.00 -0.25 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 -0.29 2.09 -0.02 1.61 2.02 -0.63 -5.09 118.70 118.39 1r1c s GLU 106 Ca 0.00 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.52 1r1c s GLU 106 Cb 0.00 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 1r1c s GLU 106 CO 0.00 -1.23 -0.19 -1.01 0.02 0.00 0.00 175.26 172.85 1r1c s HIS 107 N -3.16 1.78 0.06 1.61 3.76 -1.26 -4.98 115.29 113.10 1r1c s HIS 107 Ca 0.61 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 55.22 1r1c s HIS 107 Cb -0.09 -1.16 -0.03 0.00 1.11 0.00 0.00 32.58 32.41 1r1c s HIS 107 CO 0.44 -0.07 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.46 1r1c s TRP 108 N -0.33 1.91 0.04 1.40 0.51 -1.24 -0.71 118.94 120.52 1r1c s TRP 108 Ca 0.04 -0.39 0.03 0.00 -2.12 0.00 0.00 56.10 53.66 1r1c s TRP 108 Cb -0.09 -1.12 -0.02 0.00 -0.81 0.00 0.00 33.47 31.43 1r1c s TRP 108 CO 0.00 0.13 -0.09 -1.64 -0.51 0.00 0.00 176.95 174.85 1r1c s MET 109 N -1.38 0.57 0.18 4.98 -1.94 -0.43 -1.65 119.30 119.63 1r1c s MET 109 Ca 0.08 -0.77 0.11 0.00 -1.71 0.00 0.00 55.69 53.41 1r1c s MET 109 Cb -0.09 -0.37 -0.04 0.00 2.01 0.00 0.00 34.83 36.33 1r1c s MET 109 CO 0.03 0.07 -0.24 -0.59 -0.01 0.00 0.00 175.02 174.28 1r1c s PHE 110 N -1.32 2.24 0.00 -0.03 -0.12 0.36 -1.78 117.98 117.32 1r1c s PHE 110 Ca -0.08 -0.37 -0.29 0.00 -0.05 0.00 0.00 56.93 56.13 1r1c s PHE 110 Cb -0.10 -1.12 0.10 0.00 -0.63 0.00 0.00 43.02 41.27 1r1c s PHE 110 CO 0.01 0.46 0.92 -0.59 -0.05 0.00 0.00 175.22 175.96 1r1c s PHE 111 N -1.64 -0.31 -0.13 3.49 -0.12 -0.45 -1.31 117.98 117.50 1r1c s PHE 111 Ca 0.19 0.16 -0.13 0.00 -0.05 0.00 0.00 56.93 57.10 1r1c s PHE 111 Cb -0.08 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1r1c s PHE 111 CO 0.09 -0.55 0.30 0.00 -0.05 0.00 0.00 175.22 175.00 1r1c n THR 113 N 3.19 0.60 -1.83 0.00 -2.24 -1.26 -3.10 114.28 109.64 1r1c n THR 113 Ca -0.13 -0.73 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 1r1c n THR 113 Cb 0.52 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 1r1c n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1r1c s PHE 114 N -1.40 2.69 -0.22 4.78 5.36 -1.26 -4.51 117.98 123.41 1r1c s PHE 114 Ca 0.39 1.07 -0.40 0.00 -0.96 0.00 0.00 56.93 57.04 1r1c s PHE 114 Cb 0.22 -4.00 -0.16 0.00 -0.34 0.00 0.00 43.02 38.74 1r1c s PHE 114 CO 0.30 -3.06 1.66 -2.30 -1.46 0.00 0.00 175.22 170.36 1r1c n PRO 115 N 1.05 1.08 0.00 10.12 -0.02 -1.26 -0.46 135.00 145.52 1r1c n PRO 115 Ca 0.03 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1r1c n PRO 115 Cb 0.39 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.87 2.79 0.29 -1.23 0.00 -1.26 -4.90 105.19 104.74 1r1c n GLY 116 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.61 0.00 1.61 3.86 -1.01 -2.95 115.15 117.27 1r1c h HIS 117 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1r1c h HIS 117 Cb 0.00 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1r1c h HIS 117 CO 0.00 0.52 0.00 -1.13 0.86 0.00 0.00 177.93 178.18 1r1c n SER 118 N -4.33 0.56 -0.24 2.45 3.41 -1.18 -0.05 113.62 114.23 1r1c n SER 118 Ca 0.03 0.70 0.03 0.00 -0.26 0.00 0.00 58.87 59.37 1r1c n SER 118 Cb 0.19 -0.80 0.16 0.00 -0.26 0.00 0.00 64.21 63.50 1r1c n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r1c h ALA 119 N 2.12 0.97 0.00 7.33 0.00 -1.87 -3.27 119.26 124.54 1r1c h ALA 119 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1r1c h ALA 119 Cb 0.15 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1r1c h ALA 119 CO 0.00 -0.20 -2.00 1.28 0.00 0.00 0.00 179.25 178.33 1r1c n LEU 120 N -5.00 0.99 -4.40 0.00 4.77 -0.67 -4.83 117.00 107.86 1r1c n LEU 120 Ca 0.12 -0.03 -0.45 0.00 -0.03 0.00 0.00 56.01 55.62 1r1c n LEU 120 Cb 0.37 0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1r1c n LEU 120 CO 0.19 0.50 1.01 -0.04 -1.33 0.00 0.00 177.39 177.72 1r1c s MET 121 N -2.35 4.06 0.15 3.23 -1.94 0.92 -4.73 119.30 118.65 1r1c s MET 121 Ca -0.13 -2.80 -0.23 0.00 -1.71 0.00 0.00 55.69 50.82 1r1c s MET 121 Cb 0.05 -4.77 0.07 0.00 2.01 0.00 0.00 34.83 32.19 1r1c s MET 121 CO 0.53 -1.49 0.64 -1.59 -0.01 0.00 0.00 175.02 173.10 1r1c s LYS 122 N 0.27 1.28 0.00 2.03 0.00 -1.26 -2.04 119.74 120.01 1r1c s LYS 122 Ca 0.34 -0.50 0.00 0.00 0.00 0.00 0.00 55.97 55.82 1r1c s LYS 122 Cb -0.07 0.57 0.00 0.00 0.00 0.00 0.00 37.83 38.33 1r1c s LYS 122 CO -0.05 -0.56 0.00 0.41 0.00 0.00 0.00 175.35 175.15 1r1c n GLY 123 N -0.37 -1.15 3.76 0.59 0.00 -0.43 -4.78 105.19 102.81 1r1c n GLY 123 Ca -0.15 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1r1c n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r1c s THR 124 N -2.02 4.52 -0.06 2.61 -4.23 -0.89 -0.49 115.64 115.08 1r1c s THR 124 Ca 0.00 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1r1c s THR 124 Cb 0.00 -3.11 -0.00 0.00 1.34 0.00 0.00 72.50 70.72 1r1c s THR 124 CO 0.00 0.24 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.89 1r1c s LEU 125 N -2.03 1.99 0.05 4.79 0.20 -0.66 -0.65 118.68 122.38 1r1c s LEU 125 Ca 0.25 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.64 1r1c s LEU 125 Cb -0.12 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.39 1r1c s LEU 125 CO 0.17 0.18 -0.07 0.42 -0.29 0.00 0.00 176.35 176.76 1r1c s THR 126 N 0.07 0.55 0.06 3.68 -4.23 -0.80 -3.70 115.64 111.28 1r1c s THR 126 Ca -0.08 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1r1c s THR 126 Cb -0.14 -0.79 -0.26 0.00 1.34 0.00 0.00 72.50 72.65 1r1c s THR 126 CO 0.04 -0.47 1.09 -0.07 -0.54 0.00 0.00 174.62 174.67 1r1c h LEU 127 N 4.23 0.27 0.00 4.79 3.38 -1.89 -2.00 115.31 124.09 1r1c h LEU 127 Ca -0.36 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1r1c h LEU 127 Cb 1.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1r1c h LEU 127 CO 0.45 1.25 0.00 1.17 0.09 0.00 0.00 178.44 181.40