#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkr s GLU 2 N 0.00 1.88 -0.33 0.00 2.02 -1.26 -5.03 118.70 115.99 1rkr s GLU 2 Ca 0.00 -1.07 0.07 0.00 0.02 0.00 0.00 54.97 53.98 1rkr s GLU 2 Cb 0.00 -2.38 0.45 0.00 0.10 0.00 0.00 34.13 32.30 1rkr s GLU 2 CO 0.00 -1.27 1.17 0.00 0.02 0.00 0.00 175.26 175.18 1rkr s SER 4 N -3.59 -0.49 0.00 0.00 1.04 -1.26 -1.25 113.70 108.16 1rkr s SER 4 Ca 0.50 0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.99 1rkr s SER 4 Cb 0.41 0.53 0.01 0.00 0.10 0.00 0.00 66.02 67.06 1rkr s SER 4 CO -0.02 -0.79 0.18 0.54 0.98 0.00 0.00 173.24 174.13 1rkr s VAL 5 N -2.81 0.08 -0.22 5.02 0.11 -0.42 -4.95 120.40 117.22 1rkr s VAL 5 Ca -0.03 -0.65 -0.06 0.00 -2.93 0.00 0.00 61.98 58.30 1rkr s VAL 5 Cb -0.00 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1rkr s VAL 5 CO -0.05 -0.36 0.03 -1.81 -3.33 0.00 0.00 175.10 169.59 1rkr s ASP 6 N -1.40 4.98 -0.09 3.54 1.11 -1.26 -0.83 116.67 122.73 1rkr s ASP 6 Ca -0.14 -0.20 0.02 0.00 0.18 0.00 0.00 52.55 52.41 1rkr s ASP 6 Cb -0.07 -1.87 0.02 0.00 1.07 0.00 0.00 42.92 42.06 1rkr s ASP 6 CO 0.02 0.02 -0.12 -0.51 1.18 0.00 0.00 175.17 175.76 1rkr s ILE 7 N 1.26 1.23 -0.18 0.77 2.07 0.13 -4.96 121.20 121.53 1rkr s ILE 7 Ca 0.04 -0.50 -0.09 0.00 -1.41 0.00 0.00 60.65 58.70 1rkr s ILE 7 Cb -0.15 -1.15 -0.05 0.00 0.13 0.00 0.00 42.46 41.25 1rkr s ILE 7 CO 0.02 0.39 0.12 0.00 -1.91 0.00 0.00 174.94 173.56 1rkr s ALA 8 N 0.97 3.71 -0.19 1.50 0.00 -1.26 -1.18 121.76 125.31 1rkr s ALA 8 Ca -0.08 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 1rkr s ALA 8 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1rkr s ALA 8 CO -0.00 0.29 0.05 0.20 0.00 0.00 0.00 175.76 176.30 1rkr s GLY 9 N -0.02 1.87 0.41 0.00 0.00 -0.45 -2.02 107.32 107.11 1rkr s GLY 9 Ca 0.09 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 44.05 1rkr s GLY 9 CO -0.00 0.09 0.30 1.16 0.00 0.00 0.00 173.10 174.65 1rkr n ASN 10 N 3.69 2.34 0.17 1.64 0.23 -0.60 -3.91 115.26 118.83 1rkr n ASN 10 Ca -0.17 -2.43 0.14 0.00 -0.53 0.00 0.00 54.58 51.59 1rkr n ASN 10 Cb 0.52 -0.02 0.53 0.00 -2.08 0.00 0.00 39.78 38.73 1rkr n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1rkr h ASP 11 N 0.50 0.00 -0.55 0.53 3.32 -1.90 -3.04 116.42 115.28 1rkr h ASP 11 Ca -0.26 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.56 1rkr h ASP 11 Cb 0.96 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1rkr h ASP 11 CO 0.41 0.00 0.28 0.61 -1.72 0.00 0.00 179.24 178.83 1rkr n GLY 12 N 0.14 3.22 3.92 2.75 0.00 -1.26 -4.91 105.19 109.05 1rkr n GLY 12 Ca 0.02 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1rkr n GLY 12 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1rkr n MET 13 N -0.24 -4.88 -4.27 1.61 1.56 -1.15 -5.02 117.12 104.73 1rkr n MET 13 Ca 0.32 0.55 -0.17 0.00 -0.27 0.00 0.00 57.70 58.13 1rkr n MET 13 Cb 1.12 -5.28 -0.10 0.00 2.15 0.00 0.00 33.22 31.11 1rkr n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1rkr s GLN 14 N -6.53 1.12 0.01 2.12 -0.21 -1.26 -4.37 119.66 110.54 1rkr s GLN 14 Ca 0.48 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1rkr s GLN 14 Cb -0.24 -0.86 -0.04 0.00 1.00 0.00 0.00 33.01 32.87 1rkr s GLN 14 CO 0.85 0.14 -0.01 -0.06 -2.12 0.00 0.00 175.29 174.08 1rkr s PHE 15 N -2.82 3.03 -0.13 0.91 0.08 -1.26 -1.55 117.98 116.23 1rkr s PHE 15 Ca 0.16 0.04 0.29 0.00 0.12 0.00 0.00 56.93 57.55 1rkr s PHE 15 Cb -0.01 -1.64 0.99 0.00 -0.57 0.00 0.00 43.02 41.79 1rkr s PHE 15 CO 0.03 0.44 1.84 0.38 -0.10 0.00 0.00 175.22 177.82 1rkr h ASP 16 N 4.29 0.00 -3.60 1.36 2.03 -1.79 -3.43 116.42 115.27 1rkr h ASP 16 Ca -0.49 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.14 1rkr h ASP 16 Cb 1.17 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.44 1rkr h ASP 16 CO 0.57 0.00 -0.73 -0.54 -1.03 0.00 0.00 179.24 177.50 1rkr s LYS 17 N -3.48 3.03 0.00 4.15 3.01 -1.26 -4.96 119.74 120.23 1rkr s LYS 17 Ca 0.04 -0.63 0.18 0.00 -1.01 0.00 0.00 55.97 54.55 1rkr s LYS 17 Cb 0.08 -2.60 -0.05 0.00 -1.01 0.00 0.00 37.83 34.25 1rkr s LYS 17 CO 0.58 0.44 0.88 1.63 0.51 0.00 0.00 175.35 179.40 1rkr n LYS 18 N 2.87 1.46 -3.72 1.68 5.02 -1.26 -4.84 118.16 119.36 1rkr n LYS 18 Ca -0.18 -0.65 -0.12 0.00 -2.02 0.00 0.00 58.31 55.35 1rkr n LYS 18 Cb 0.53 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 34.08 1rkr n LYS 18 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rkr s GLU 19 N -2.24 0.32 -0.08 1.97 2.12 -1.26 -1.91 118.70 117.62 1rkr s GLU 19 Ca 0.13 0.60 0.05 0.00 0.36 0.00 0.00 54.97 56.11 1rkr s GLU 19 Cb 0.14 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.52 1rkr s GLU 19 CO 0.53 -0.13 -0.23 0.42 -0.54 0.00 0.00 175.26 175.30 1rkr s ILE 20 N 1.03 1.97 -0.25 -3.70 1.01 -0.43 -4.98 121.20 115.84 1rkr s ILE 20 Ca -0.07 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1rkr s ILE 20 Cb -0.08 -1.69 0.06 0.00 0.01 0.00 0.00 42.46 40.77 1rkr s ILE 20 CO -0.08 0.54 -0.10 0.28 0.00 0.00 0.00 174.94 175.59 1rkr s THR 21 N 0.10 2.02 -0.26 2.92 -1.32 -1.26 -1.88 115.64 115.96 1rkr s THR 21 Ca -0.11 -1.52 -0.21 0.00 -1.21 0.00 0.00 61.69 58.63 1rkr s THR 21 Cb -0.16 -2.16 -0.01 0.00 -1.51 0.00 0.00 72.50 68.66 1rkr s THR 21 CO 0.06 -0.03 0.68 -0.69 -2.21 0.00 0.00 174.62 172.43 1rkr s VAL 22 N 1.17 4.93 0.19 5.08 1.01 0.28 -4.91 120.40 128.16 1rkr s VAL 22 Ca -0.08 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 1rkr s VAL 22 Cb -0.20 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1rkr s VAL 22 CO -0.05 -0.04 1.17 -0.55 0.00 0.00 0.00 175.10 175.62 1rkr s SER 23 N 1.48 7.14 0.52 3.32 0.15 -1.26 -0.57 113.70 124.48 1rkr s SER 23 Ca 0.28 2.21 0.35 0.00 0.70 0.00 0.00 55.95 59.49 1rkr s SER 23 Cb -0.15 -2.61 1.85 0.00 -1.71 0.00 0.00 66.02 63.40 1rkr s SER 23 CO 0.09 -0.32 2.07 0.11 1.20 0.00 0.00 173.24 176.39 1rkr h LYS 24 N 5.06 0.00 0.00 5.44 1.57 -1.64 -1.35 116.57 125.66 1rkr h LYS 24 Ca -0.45 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1rkr h LYS 24 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1rkr h LYS 24 CO 0.73 0.00 -0.17 0.77 -0.57 0.00 0.00 179.45 180.21 1rkr h SER 25 N 0.00 0.00 -3.86 0.86 0.02 -1.92 -3.44 113.55 105.21 1rkr h SER 25 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1rkr h SER 25 Cb 0.06 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.62 1rkr h SER 25 CO 0.00 0.17 0.45 0.00 -1.14 0.00 0.00 176.83 176.32 1rkr n LYS 27 N 0.76 1.02 -4.25 0.00 5.02 -1.26 -4.73 118.16 114.71 1rkr n LYS 27 Ca 0.01 -0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 1rkr n LYS 27 Cb 0.46 -1.40 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 1rkr n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1rkr s GLN 28 N -2.74 0.83 -0.01 1.97 -0.21 -1.26 -1.01 119.66 117.23 1rkr s GLN 28 Ca -0.07 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 54.54 1rkr s GLN 28 Cb 0.07 -0.82 -0.01 0.00 1.00 0.00 0.00 33.01 33.26 1rkr s GLN 28 CO 0.67 0.19 -0.11 0.12 -2.12 0.00 0.00 175.29 174.03 1rkr s PHE 29 N -1.02 1.05 -0.11 0.91 5.36 0.14 -4.83 117.98 119.48 1rkr s PHE 29 Ca -0.01 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 55.76 1rkr s PHE 29 Cb -0.09 -0.69 -0.01 0.00 -0.34 0.00 0.00 43.02 41.89 1rkr s PHE 29 CO 0.01 -0.04 -0.16 0.99 -1.46 0.00 0.00 175.22 174.57 1rkr s THR 30 N -0.18 2.83 -0.15 0.12 2.01 -0.38 -1.14 115.64 118.74 1rkr s THR 30 Ca 0.03 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 1rkr s THR 30 Cb -0.05 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1rkr s THR 30 CO -0.00 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1rkr s VAL 31 N 0.21 3.88 -0.32 3.82 1.01 0.38 -1.30 120.40 128.08 1rkr s VAL 31 Ca -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1rkr s VAL 31 Cb -0.16 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.59 1rkr s VAL 31 CO 0.06 0.50 0.04 0.20 0.00 0.00 0.00 175.10 175.89 1rkr s ASN 32 N 0.33 4.94 -0.12 3.32 -0.87 -0.01 -0.99 114.94 121.54 1rkr s ASN 32 Ca -0.04 -1.48 -0.20 0.00 -1.57 0.00 0.00 52.86 49.57 1rkr s ASN 32 Cb -0.14 -1.73 -0.04 0.00 -0.02 0.00 0.00 41.25 39.32 1rkr s ASN 32 CO 0.03 -0.32 0.54 -0.22 -2.57 0.00 0.00 177.10 174.56 1rkr s LEU 33 N 1.20 4.27 0.10 0.60 2.96 -0.36 -0.69 118.68 126.76 1rkr s LEU 33 Ca -0.02 0.90 0.08 0.00 -0.22 0.00 0.00 54.13 54.87 1rkr s LEU 33 Cb -0.20 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 1rkr s LEU 33 CO -0.02 -0.06 -0.21 -1.59 -1.32 0.00 0.00 176.35 173.15 1rkr s LYS 34 N 0.83 1.13 -0.42 1.98 0.00 -0.33 -1.57 119.74 121.37 1rkr s LYS 34 Ca 0.29 -1.16 -0.05 0.00 0.00 0.00 0.00 55.97 55.05 1rkr s LYS 34 Cb -0.16 -1.40 0.11 0.00 0.00 0.00 0.00 37.83 36.38 1rkr s LYS 34 CO 0.12 0.33 0.23 -1.58 0.00 0.00 0.00 175.35 174.45 1rkr s HIS 35 N -1.16 3.52 0.88 1.78 2.46 0.00 -1.35 115.29 121.43 1rkr s HIS 35 Ca 0.07 -2.21 -0.12 0.00 0.47 0.00 0.00 55.06 53.26 1rkr s HIS 35 Cb -0.10 -3.22 0.12 0.00 -0.13 0.00 0.00 32.58 29.25 1rkr s HIS 35 CO 0.04 -0.96 1.10 -1.25 -2.47 0.00 0.00 174.74 171.20 1rkr s PRO 36 N 1.21 1.37 0.00 2.88 0.04 -1.25 -1.33 135.00 137.92 1rkr s PRO 36 Ca 0.07 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1rkr s PRO 36 Cb -0.23 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1rkr s PRO 36 CO -0.03 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1rkr n GLY 37 N -1.56 -0.74 0.45 0.56 0.00 -1.26 -4.22 105.19 98.42 1rkr n GLY 37 Ca 0.07 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.64 1rkr n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rkr n LYS 38 N -0.28 1.17 -2.99 1.61 2.85 -1.26 -3.10 118.16 116.17 1rkr n LYS 38 Ca 0.00 -0.90 -0.34 0.00 -1.05 0.00 0.00 58.31 56.02 1rkr n LYS 38 Cb 0.00 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 32.83 1rkr n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rkr s LEU 39 N -2.45 4.15 0.66 -5.58 1.43 -1.26 -4.72 118.68 110.90 1rkr s LEU 39 Ca 0.21 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.67 1rkr s LEU 39 Cb 0.19 -4.06 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 1rkr s LEU 39 CO 0.54 -0.16 1.10 0.00 0.23 0.00 0.00 176.35 178.06 1rkr s ALA 40 N -1.85 2.49 0.38 4.21 0.00 -1.26 -0.94 121.76 124.79 1rkr s ALA 40 Ca 0.53 0.51 0.16 0.00 0.00 0.00 0.00 51.96 53.15 1rkr s ALA 40 Cb -0.13 -3.30 1.03 0.00 0.00 0.00 0.00 23.12 20.72 1rkr s ALA 40 CO 0.18 -1.26 1.77 -0.22 0.00 0.00 0.00 175.76 176.23 1rkr h LYS 41 N -0.01 0.45 0.00 0.00 3.64 -1.86 0.68 116.57 119.46 1rkr h LYS 41 Ca -0.46 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 1rkr h LYS 41 Cb 1.24 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1rkr h LYS 41 CO 0.54 0.29 -0.36 -0.91 -2.27 0.00 0.00 179.45 176.75 1rkr h ASN 42 N 0.46 0.00 0.00 4.20 2.35 -1.96 -2.53 115.58 118.09 1rkr h ASN 42 Ca 0.59 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 56.04 1rkr h ASN 42 Cb 1.39 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.70 1rkr h ASN 42 CO -0.33 0.36 -2.14 1.33 -1.65 0.00 0.00 177.43 175.00 1rkr n VAL 43 N -3.87 1.15 -2.94 2.81 0.24 0.11 -4.77 118.33 111.06 1rkr n VAL 43 Ca -0.01 -0.66 -0.13 0.00 -2.04 0.00 0.00 64.34 61.49 1rkr n VAL 43 Cb 0.42 -0.68 0.02 0.00 -1.47 0.00 0.00 33.84 32.13 1rkr n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1rkr n MET 44 N -2.70 1.04 -2.45 7.34 1.56 -0.50 -5.03 117.12 116.39 1rkr n MET 44 Ca -0.29 -3.00 -0.36 0.00 -0.27 0.00 0.00 57.70 53.79 1rkr n MET 44 Cb 1.01 -1.35 -0.03 0.00 2.15 0.00 0.00 33.22 35.01 1rkr n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1rkr s GLY 45 N -2.33 2.69 -0.06 -5.12 0.00 -0.95 -4.78 107.32 96.76 1rkr s GLY 45 Ca 0.32 0.75 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 1rkr s GLY 45 CO -0.04 1.16 0.15 0.30 0.00 0.00 0.00 173.10 174.66 1rkr s HIS 46 N -1.71 -0.17 0.39 1.90 3.76 -1.01 -4.72 115.29 113.74 1rkr s HIS 46 Ca 0.62 0.42 0.05 0.00 -0.15 0.00 0.00 55.06 56.01 1rkr s HIS 46 Cb -0.23 0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 1rkr s HIS 46 CO 0.28 -0.10 0.20 0.54 -0.85 0.00 0.00 174.74 174.80 1rkr s ASN 47 N 0.38 2.47 -0.07 1.40 4.22 -1.26 -0.23 114.94 121.85 1rkr s ASN 47 Ca -0.03 -1.75 0.01 0.00 -2.14 0.00 0.00 52.86 48.96 1rkr s ASN 47 Cb -0.04 0.59 0.02 0.00 1.28 0.00 0.00 41.25 43.10 1rkr s ASN 47 CO -0.02 -1.02 -0.09 0.86 -2.04 0.00 0.00 177.10 174.79 1rkr s TRP 48 N -3.26 1.28 0.02 1.54 -0.00 -1.26 -4.16 118.94 113.10 1rkr s TRP 48 Ca 0.29 -0.50 0.06 0.00 -0.00 0.00 0.00 56.10 55.95 1rkr s TRP 48 Cb 0.02 -1.01 -0.02 0.00 -0.00 0.00 0.00 33.47 32.46 1rkr s TRP 48 CO 0.20 -0.32 -0.17 0.08 -0.00 0.00 0.00 176.95 176.74 1rkr s VAL 49 N 1.02 1.34 -0.14 5.86 1.01 0.51 -0.91 120.40 129.09 1rkr s VAL 49 Ca -0.08 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1rkr s VAL 49 Cb -0.15 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1rkr s VAL 49 CO -0.00 0.20 -0.21 -0.22 0.00 0.00 0.00 175.10 174.87 1rkr s LEU 50 N -0.86 2.20 0.21 3.92 0.20 -0.08 -1.48 118.68 122.79 1rkr s LEU 50 Ca 0.05 -0.56 -0.03 0.00 0.69 0.00 0.00 54.13 54.28 1rkr s LEU 50 Cb -0.07 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.19 1rkr s LEU 50 CO 0.01 0.10 0.20 0.42 -0.29 0.00 0.00 176.35 176.79 1rkr s THR 51 N 0.73 0.00 0.40 3.68 -4.23 -0.59 -0.82 115.64 114.80 1rkr s THR 51 Ca -0.09 -1.89 -0.24 0.00 -1.18 0.00 0.00 61.69 58.29 1rkr s THR 51 Cb -0.16 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1rkr s THR 51 CO 0.00 0.00 1.07 -0.54 -0.54 0.00 0.00 174.62 174.62 1rkr s LYS 52 N -4.10 4.14 0.20 3.99 3.01 -1.26 -1.03 119.74 124.68 1rkr s LYS 52 Ca 0.36 1.59 -0.18 0.00 -1.01 0.00 0.00 55.97 56.72 1rkr s LYS 52 Cb 0.05 -2.58 0.16 0.00 -1.01 0.00 0.00 37.83 34.46 1rkr s LYS 52 CO 0.12 -0.18 1.41 0.94 0.51 0.00 0.00 175.35 178.15 1rkr n GLN 53 N -0.02 -0.25 0.13 1.68 -0.06 -0.63 -0.25 117.38 117.98 1rkr n GLN 53 Ca 0.05 1.40 0.12 0.00 -2.00 0.00 0.00 57.00 56.56 1rkr n GLN 53 Cb 0.49 -2.07 0.50 0.00 -4.06 0.00 0.00 30.24 25.10 1rkr n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1rkr n ALA 54 N -3.48 1.57 0.93 1.69 0.00 -1.26 -2.23 120.51 117.73 1rkr n ALA 54 Ca 0.08 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1rkr n ALA 54 Cb 0.34 -1.37 0.25 0.00 0.00 0.00 0.00 19.45 18.67 1rkr n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rkr n ASP 55 N -2.23 2.65 0.29 0.00 8.00 0.65 -4.58 116.55 121.34 1rkr n ASP 55 Ca 0.02 -1.86 -0.16 0.00 0.71 0.00 0.00 54.79 53.49 1rkr n ASP 55 Cb 0.20 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 1rkr n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1rkr h MET 56 N 3.83 -0.69 -0.52 -1.24 4.05 -1.36 -2.27 114.93 116.73 1rkr h MET 56 Ca 0.00 0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 1rkr h MET 56 Cb 0.83 0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 1rkr h MET 56 CO 0.00 -0.46 0.06 0.37 0.23 0.00 0.00 176.91 177.10 1rkr h GLN 57 N -0.72 0.88 -0.94 0.39 5.75 -1.82 0.38 115.11 119.03 1rkr h GLN 57 Ca -0.07 -0.25 0.13 0.00 -0.15 0.00 0.00 58.65 58.32 1rkr h GLN 57 Cb 0.57 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.93 1rkr h GLN 57 CO 0.09 0.88 0.56 0.78 -2.65 0.00 0.00 178.83 178.50 1rkr h GLY 58 N 0.76 1.56 1.78 2.39 0.00 -1.85 -0.06 103.07 107.66 1rkr h GLY 58 Ca 0.15 -0.36 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 1rkr h GLY 58 CO 0.02 0.07 -0.83 0.00 0.00 0.00 0.00 176.54 175.80 1rkr h ALA 59 N 1.55 0.57 -0.12 3.60 0.00 -0.67 -1.54 119.26 122.65 1rkr h ALA 59 Ca 0.49 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1rkr h ALA 59 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rkr h ALA 59 CO -0.30 0.89 -0.05 0.28 0.00 0.00 0.00 179.25 180.06 1rkr h VAL 60 N 0.12 1.31 -0.17 0.00 2.07 -0.11 -0.68 116.25 118.79 1rkr h VAL 60 Ca -0.04 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 1rkr h VAL 60 Cb 1.44 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1rkr h VAL 60 CO 0.13 0.30 -0.35 0.78 0.02 0.00 0.00 177.57 178.45 1rkr h ASN 61 N -0.09 0.60 0.57 0.57 -0.26 -1.02 0.13 115.58 116.08 1rkr h ASN 61 Ca 0.03 -0.56 -0.03 0.00 -0.56 0.00 0.00 56.30 55.18 1rkr h ASN 61 Cb 0.50 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.58 1rkr h ASN 61 CO 0.02 1.05 -0.15 0.44 -1.06 0.00 0.00 177.43 177.72 1rkr h ASP 62 N 0.18 0.00 -0.08 5.81 3.32 -1.34 -2.51 116.42 121.80 1rkr h ASP 62 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1rkr h ASP 62 Cb 0.95 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1rkr h ASP 62 CO 0.08 0.15 -0.05 1.23 -1.72 0.00 0.00 179.24 178.93 1rkr h GLY 63 N 1.30 0.19 -0.03 2.75 0.00 -0.74 -2.53 103.07 104.01 1rkr h GLY 63 Ca -0.00 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.27 1rkr h GLY 63 CO 0.02 0.16 0.01 1.98 0.00 0.00 0.00 176.54 178.72 1rkr h MET 64 N -0.22 0.13 0.00 4.80 -1.53 -0.65 0.18 114.93 117.63 1rkr h MET 64 Ca 0.02 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1rkr h MET 64 Cb 0.53 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.55 1rkr h MET 64 CO 0.01 0.08 0.00 0.00 0.14 0.00 0.00 176.91 177.15 1rkr h ALA 65 N 1.55 1.00 0.00 0.39 0.00 -1.40 -3.25 119.26 117.55 1rkr h ALA 65 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1rkr h ALA 65 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1rkr h ALA 65 CO -0.51 0.00 -0.54 0.00 0.00 0.00 0.00 179.25 178.20 1rkr h ALA 66 N 2.06 0.76 0.00 0.00 0.00 -0.50 -3.51 119.26 118.07 1rkr h ALA 66 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rkr h ALA 66 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rkr h ALA 66 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1rkr n GLY 67 N 1.19 -0.19 0.28 0.00 0.00 -1.22 -4.18 105.19 101.07 1rkr n GLY 67 Ca 0.01 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 1rkr n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rkr h LEU 68 N 0.00 0.57 -0.84 0.99 6.46 -1.92 0.21 115.31 120.78 1rkr h LEU 68 Ca 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1rkr h LEU 68 Cb 0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1rkr h LEU 68 CO 0.00 0.64 0.00 0.44 -0.62 0.00 0.00 178.44 178.90 1rkr h ASP 69 N 0.58 0.00 -0.74 1.25 3.32 -2.01 -0.27 116.42 118.54 1rkr h ASP 69 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1rkr h ASP 69 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1rkr h ASP 69 CO 0.01 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 1rkr n ASN 70 N -3.01 4.01 -2.28 6.45 3.02 -1.04 -4.95 115.26 117.47 1rkr n ASN 70 Ca 0.02 -2.02 -0.19 0.00 -0.03 0.00 0.00 54.58 52.36 1rkr n ASN 70 Cb 0.39 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 1rkr n ASN 70 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rkr n ASN 71 N 1.64 -5.35 -3.74 6.41 3.02 -0.11 -2.29 115.26 114.83 1rkr n ASN 71 Ca 0.25 0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.66 1rkr n ASN 71 Cb 0.64 -4.52 0.04 0.00 -0.61 0.00 0.00 39.78 35.33 1rkr n ASN 71 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rkr n TYR 72 N -3.61 -2.08 -3.80 3.10 4.01 0.03 -4.53 117.16 110.29 1rkr n TYR 72 Ca -0.22 0.87 -0.13 0.00 -0.16 0.00 0.00 57.90 58.27 1rkr n TYR 72 Cb 0.66 -4.36 -0.13 0.00 -0.31 0.00 0.00 39.34 35.19 1rkr n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1rkr s VAL 73 N -3.54 -0.02 0.26 -0.72 1.01 -0.97 -4.46 120.40 111.95 1rkr s VAL 73 Ca 0.21 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1rkr s VAL 73 Cb -0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 36.38 35.97 1rkr s VAL 73 CO 0.81 0.03 1.46 -0.75 0.00 0.00 0.00 175.10 176.65 1rkr s LYS 74 N 0.50 4.25 0.08 2.72 2.20 -1.26 -4.85 119.74 123.37 1rkr s LYS 74 Ca -0.04 2.34 -0.31 0.00 -0.36 0.00 0.00 55.97 57.61 1rkr s LYS 74 Cb -0.05 -3.10 -0.06 0.00 -1.51 0.00 0.00 37.83 33.11 1rkr s LYS 74 CO -0.02 -0.45 1.29 0.21 -0.36 0.00 0.00 175.35 176.02 1rkr s LYS 75 N -0.42 4.38 -1.33 4.03 2.20 -1.26 -2.16 119.74 125.17 1rkr s LYS 75 Ca 0.60 1.90 -0.06 0.00 -0.36 0.00 0.00 55.97 58.04 1rkr s LYS 75 Cb -0.43 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1rkr s LYS 75 CO 0.44 -0.35 0.85 -0.25 -0.36 0.00 0.00 175.35 175.67 1rkr n ASP 76 N 4.06 -5.92 -4.63 1.43 8.00 -1.26 -4.92 116.55 113.31 1rkr n ASP 76 Ca 0.10 -0.39 -0.43 0.00 0.71 0.00 0.00 54.79 54.79 1rkr n ASP 76 Cb 0.45 -4.63 -0.02 0.00 -0.02 0.00 0.00 41.12 36.89 1rkr n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rkr s ASP 77 N -3.03 6.50 0.40 -2.24 -1.08 -0.92 -4.85 116.67 111.44 1rkr s ASP 77 Ca 0.42 1.39 0.28 0.00 -0.52 0.00 0.00 52.55 54.12 1rkr s ASP 77 Cb -0.18 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 40.08 1rkr s ASP 77 CO 0.52 -1.19 1.85 0.00 0.52 0.00 0.00 175.17 176.87 1rkr h ALA 78 N 10.12 1.00 0.01 3.66 0.00 -1.91 -2.75 119.26 129.39 1rkr h ALA 78 Ca -0.30 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1rkr h ALA 78 Cb 1.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1rkr h ALA 78 CO 1.02 0.00 -0.91 0.00 0.00 0.00 0.00 179.25 179.36 1rkr h ARG 79 N 0.00 0.09 -6.49 0.00 3.08 -1.96 -3.43 114.38 105.68 1rkr h ARG 79 Ca 0.00 -0.12 -0.57 0.00 0.07 0.00 0.00 59.98 59.36 1rkr h ARG 79 Cb 0.23 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1rkr h ARG 79 CO 0.00 0.94 0.97 0.08 -1.07 0.00 0.00 179.97 180.89 1rkr s VAL 80 N -3.03 4.15 0.28 2.04 1.01 -1.04 -4.44 120.40 119.36 1rkr s VAL 80 Ca -0.01 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.28 1rkr s VAL 80 Cb 0.10 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1rkr s VAL 80 CO 0.82 -0.69 1.65 0.40 0.00 0.00 0.00 175.10 177.27 1rkr h ILE 81 N 6.13 1.36 -1.22 2.22 2.04 -1.26 -3.47 117.51 123.31 1rkr h ILE 81 Ca -0.25 -1.78 0.19 0.00 1.00 0.00 0.00 64.86 64.02 1rkr h ILE 81 Cb 1.08 1.89 -0.26 0.00 -0.74 0.00 0.00 36.82 38.79 1rkr h ILE 81 CO 1.07 0.52 0.82 0.00 0.00 0.00 0.00 178.15 180.57 1rkr s ALA 82 N -3.90 -2.06 0.20 1.87 0.00 -1.25 -5.00 121.76 111.61 1rkr s ALA 82 Ca -0.03 1.80 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 1rkr s ALA 82 Cb 0.13 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 22.04 1rkr s ALA 82 CO 0.77 -0.27 0.58 -3.38 0.00 0.00 0.00 175.76 173.47 1rkr s HIS 83 N -1.06 -0.28 0.00 0.00 -3.43 -1.26 -0.90 115.29 108.36 1rkr s HIS 83 Ca 0.06 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 1rkr s HIS 83 Cb -0.01 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1rkr s HIS 83 CO -0.05 -0.94 0.00 0.25 -2.00 0.00 0.00 174.74 172.00 1rkr n THR 84 N -0.37 0.00 -2.89 -5.38 -2.24 -0.09 -4.82 114.28 98.50 1rkr n THR 84 Ca -0.12 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.44 1rkr n THR 84 Cb 0.63 -1.03 0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1rkr n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rkr s LYS 85 N 0.33 2.97 -0.02 -0.78 1.02 -1.26 -4.74 119.74 117.25 1rkr s LYS 85 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 1rkr s LYS 85 Cb 0.00 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1rkr s LYS 85 CO 0.00 -0.37 1.08 0.08 -0.92 0.00 0.00 175.35 175.22 1rkr s VAL 86 N -2.61 4.55 0.12 3.17 1.01 -1.26 -4.29 120.40 121.09 1rkr s VAL 86 Ca 0.50 1.83 0.09 0.00 0.00 0.00 0.00 61.98 64.40 1rkr s VAL 86 Cb -0.10 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1rkr s VAL 86 CO 0.38 0.09 -0.22 0.27 0.00 0.00 0.00 175.10 175.62 1rkr s ILE 87 N 1.45 1.84 0.45 2.22 -4.36 0.68 -4.84 121.20 118.64 1rkr s ILE 87 Ca 0.53 -1.63 0.06 0.00 -0.26 0.00 0.00 60.65 59.35 1rkr s ILE 87 Cb -0.23 -1.68 0.06 0.00 1.25 0.00 0.00 42.46 41.86 1rkr s ILE 87 CO 0.25 -0.06 0.46 0.61 0.24 0.00 0.00 174.94 176.44 1rkr n GLY 88 N 0.95 2.45 3.68 6.27 0.00 -1.26 -2.39 105.19 114.89 1rkr n GLY 88 Ca -0.18 -2.25 -0.55 0.00 0.00 0.00 0.00 46.02 43.04 1rkr n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkr n GLY 89 N -0.49 0.85 1.35 -0.02 0.00 -0.11 -1.57 105.19 105.19 1rkr n GLY 89 Ca 0.05 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1rkr n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkr n GLY 90 N 3.86 0.98 4.00 -0.02 0.00 -0.44 -4.91 105.19 108.66 1rkr n GLY 90 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1rkr n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rkr s GLU 91 N -0.55 1.95 -0.06 1.61 2.02 -0.61 -4.91 118.70 118.14 1rkr s GLU 91 Ca 0.00 -1.18 -0.11 0.00 0.02 0.00 0.00 54.97 53.70 1rkr s GLU 91 Cb 0.00 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1rkr s GLU 91 CO 0.00 -1.20 0.27 0.99 0.02 0.00 0.00 175.26 175.34 1rkr s THR 92 N -2.97 0.03 0.02 3.63 2.01 -1.26 -0.82 115.64 116.27 1rkr s THR 92 Ca 0.64 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1rkr s THR 92 Cb -0.06 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1rkr s THR 92 CO 0.42 -0.13 0.25 -0.62 -0.69 0.00 0.00 174.62 173.86 1rkr s ASP 93 N -0.48 -0.08 0.12 3.53 2.15 -0.61 -5.01 116.67 116.30 1rkr s ASP 93 Ca -0.06 -0.17 0.08 0.00 0.43 0.00 0.00 52.55 52.83 1rkr s ASP 93 Cb -0.04 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.85 1rkr s ASP 93 CO 0.02 -0.52 -0.18 -0.44 -0.17 0.00 0.00 175.17 173.87 1rkr s SER 94 N -1.78 2.39 -0.01 -0.34 0.01 -1.26 -1.23 113.70 111.49 1rkr s SER 94 Ca -0.09 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.45 1rkr s SER 94 Cb -0.03 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 1rkr s SER 94 CO -0.01 -0.02 -0.09 0.54 0.41 0.00 0.00 173.24 174.08 1rkr s VAL 95 N -1.59 0.71 -0.05 3.43 0.11 -0.17 -4.91 120.40 117.93 1rkr s VAL 95 Ca 0.08 -0.38 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 1rkr s VAL 95 Cb -0.08 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1rkr s VAL 95 CO 0.04 0.20 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.89 1rkr s THR 96 N -0.16 2.17 0.12 5.04 2.01 -1.26 -0.47 115.64 123.09 1rkr s THR 96 Ca 0.03 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.01 1rkr s THR 96 Cb -0.04 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1rkr s THR 96 CO -0.00 0.57 -0.06 0.72 -0.69 0.00 0.00 174.62 175.16 1rkr s PHE 97 N -0.28 1.01 -0.05 4.92 -0.71 -0.29 -4.94 117.98 117.63 1rkr s PHE 97 Ca 0.00 -0.91 -0.30 0.00 -1.04 0.00 0.00 56.93 54.68 1rkr s PHE 97 Cb -0.13 -0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 41.09 1rkr s PHE 97 CO 0.03 -0.13 0.98 -0.51 -1.34 0.00 0.00 175.22 174.25 1rkr s ASP 98 N -3.09 7.29 0.42 1.98 1.11 -1.26 -0.68 116.67 122.45 1rkr s ASP 98 Ca 0.15 1.58 0.30 0.00 0.18 0.00 0.00 52.55 54.75 1rkr s ASP 98 Cb 0.05 -2.56 1.35 0.00 1.07 0.00 0.00 42.92 42.83 1rkr s ASP 98 CO -0.02 -0.35 1.89 0.58 1.18 0.00 0.00 175.17 178.45 1rkr h VAL 99 N 4.94 0.00 0.00 -1.27 2.07 -1.36 -1.60 116.25 119.04 1rkr h VAL 99 Ca -0.36 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1rkr h VAL 99 Cb 1.18 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1rkr h VAL 99 CO 0.80 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.85 1rkr n SER 100 N -2.64 0.00 0.10 0.57 3.41 -1.26 -1.45 113.62 112.36 1rkr n SER 100 Ca 0.00 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1rkr n SER 100 Cb 0.20 -0.38 0.23 0.00 -0.26 0.00 0.00 64.21 64.00 1rkr n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1rkr h LYS 101 N 0.00 0.00 -5.69 4.33 1.57 -1.67 -3.46 116.57 111.65 1rkr h LYS 101 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1rkr h LYS 101 Cb 0.16 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 1rkr h LYS 101 CO 0.00 0.00 0.08 -0.51 -0.57 0.00 0.00 179.45 178.45 1rkr s LEU 102 N -4.70 4.17 -0.22 2.94 1.43 -0.53 -5.07 118.68 116.71 1rkr s LEU 102 Ca 0.07 0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 53.93 1rkr s LEU 102 Cb 0.12 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1rkr s LEU 102 CO 0.68 -0.23 0.13 0.00 0.23 0.00 0.00 176.35 177.16 1rkr s ALA 103 N 1.67 3.60 0.48 4.21 0.00 -1.26 -5.05 121.76 125.41 1rkr s ALA 103 Ca 0.29 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.23 1rkr s ALA 103 Cb -0.16 -2.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.70 1rkr s ALA 103 CO 0.11 -0.00 1.23 0.00 0.00 0.00 0.00 175.76 177.10 1rkr s ALA 104 N 0.69 2.96 0.00 0.00 0.00 -1.26 -2.28 121.76 121.86 1rkr s ALA 104 Ca 0.07 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1rkr s ALA 104 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1rkr s ALA 104 CO 0.01 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1rkr n GLY 105 N 0.55 2.83 4.00 0.00 0.00 -1.26 -5.05 105.19 106.26 1rkr n GLY 105 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1rkr n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rkr s GLU 106 N -0.72 2.86 0.01 1.61 0.41 -0.97 -5.11 118.70 116.79 1rkr s GLU 106 Ca 0.00 -1.12 0.03 0.00 -0.41 0.00 0.00 54.97 53.47 1rkr s GLU 106 Cb 0.00 -2.73 -0.01 0.00 -1.78 0.00 0.00 34.13 29.60 1rkr s GLU 106 CO 0.00 -0.26 -0.10 0.34 -0.49 0.00 0.00 175.26 174.76 1rkr s ASP 107 N -4.32 1.15 0.09 -0.19 -1.08 -1.26 -4.85 116.67 106.21 1rkr s ASP 107 Ca 0.53 -0.26 0.06 0.00 -0.52 0.00 0.00 52.55 52.36 1rkr s ASP 107 Cb -0.10 -0.10 -0.04 0.00 -1.46 0.00 0.00 42.92 41.22 1rkr s ASP 107 CO 0.33 0.06 -0.06 -0.31 0.52 0.00 0.00 175.17 175.72 1rkr s TYR 108 N -0.45 2.85 -0.08 -5.34 2.02 -1.07 -1.60 117.35 113.67 1rkr s TYR 108 Ca 0.02 -0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1rkr s TYR 108 Cb -0.05 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1rkr s TYR 108 CO 0.00 0.45 -0.21 0.00 -1.57 0.00 0.00 175.55 174.22 1rkr s ALA 109 N -1.24 2.33 0.13 3.71 0.00 -0.20 -0.98 121.76 125.51 1rkr s ALA 109 Ca 0.23 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.29 1rkr s ALA 109 Cb -0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1rkr s ALA 109 CO 0.15 0.38 -0.15 1.52 0.00 0.00 0.00 175.76 177.65 1rkr s TYR 110 N -0.03 2.58 0.33 0.00 -0.85 0.07 -1.55 117.35 117.89 1rkr s TYR 110 Ca -0.06 -0.24 -0.18 0.00 -0.52 0.00 0.00 57.07 56.07 1rkr s TYR 110 Cb -0.15 -1.34 0.04 0.00 0.38 0.00 0.00 41.96 40.89 1rkr s TYR 110 CO 0.05 0.42 0.79 -0.59 -1.52 0.00 0.00 175.55 174.69 1rkr s PHE 111 N -1.26 -0.00 -0.17 -3.49 -0.71 -0.55 -0.67 117.98 111.13 1rkr s PHE 111 Ca 0.20 -0.57 -0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1rkr s PHE 111 Cb -0.10 0.78 -0.02 0.00 -1.21 0.00 0.00 43.02 42.47 1rkr s PHE 111 CO 0.12 -1.38 -0.08 0.00 -1.34 0.00 0.00 175.22 172.53 1rkr n SER 113 N 3.99 2.08 -4.69 0.00 3.41 -1.26 -2.63 113.62 114.52 1rkr n SER 113 Ca -0.18 -1.69 -0.44 0.00 -0.26 0.00 0.00 58.87 56.30 1rkr n SER 113 Cb 0.52 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1rkr n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1rkr n PHE 114 N 0.62 2.52 -1.02 7.33 -0.00 -1.26 -4.43 117.46 121.21 1rkr n PHE 114 Ca 0.17 0.03 -0.44 0.00 -0.00 0.00 0.00 57.45 57.21 1rkr n PHE 114 Cb 0.45 -2.66 -0.08 0.00 -0.00 0.00 0.00 39.48 37.19 1rkr n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1rkr n PRO 115 N 4.79 0.00 0.00 -7.13 -0.02 -1.26 -0.95 135.00 130.43 1rkr n PRO 115 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1rkr n PRO 115 Cb 0.33 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 1rkr n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rkr n GLY 116 N 4.16 2.52 0.21 -1.23 0.00 -1.26 -4.87 105.19 104.72 1rkr n GLY 116 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 1rkr n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1rkr h HIS 117 N 0.00 0.00 -0.62 1.61 3.86 -1.26 -3.06 115.15 115.68 1rkr h HIS 117 Ca 0.00 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 1rkr h HIS 117 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1rkr h HIS 117 CO 0.00 0.28 0.44 0.27 0.86 0.00 0.00 177.93 179.78 1rkr h PHE 118 N 0.00 0.04 -0.79 2.45 -0.00 -1.70 0.13 116.94 117.07 1rkr h PHE 118 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.97 58.04 1rkr h PHE 118 Cb 0.71 -0.01 -0.06 0.00 -0.00 0.00 0.00 35.95 36.59 1rkr h PHE 118 CO 0.00 0.01 0.46 0.00 -0.00 0.00 0.00 178.31 178.79 1rkr h ALA 119 N 1.69 1.09 0.00 12.09 0.00 -1.87 -3.29 119.26 128.97 1rkr h ALA 119 Ca 0.30 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 1rkr h ALA 119 Cb 1.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1rkr h ALA 119 CO -0.01 0.15 -1.97 1.28 0.00 0.00 0.00 179.25 178.70 1rkr n LEU 120 N -4.71 0.00 -4.32 0.00 4.32 -0.60 -4.77 117.00 106.92 1rkr n LEU 120 Ca 0.12 0.00 -0.45 0.00 -0.02 0.00 0.00 56.01 55.65 1rkr n LEU 120 Cb 0.21 0.30 -0.01 0.00 -1.62 0.00 0.00 43.42 42.30 1rkr n LEU 120 CO 0.29 0.30 0.59 -0.04 -1.22 0.00 0.00 177.39 177.31 1rkr s MET 121 N -2.49 3.87 -0.04 3.23 -1.94 0.36 -4.65 119.30 117.65 1rkr s MET 121 Ca -0.07 -2.88 -0.11 0.00 -1.71 0.00 0.00 55.69 50.93 1rkr s MET 121 Cb 0.05 -4.46 0.02 0.00 2.01 0.00 0.00 34.83 32.45 1rkr s MET 121 CO 0.62 -1.26 0.24 0.21 -0.01 0.00 0.00 175.02 174.82 1rkr s LYS 122 N -0.62 0.49 0.20 2.03 2.20 -1.26 -1.84 119.74 120.94 1rkr s LYS 122 Ca 0.25 -0.06 -0.23 0.00 -0.36 0.00 0.00 55.97 55.57 1rkr s LYS 122 Cb -0.10 0.22 0.06 0.00 -1.51 0.00 0.00 37.83 36.50 1rkr s LYS 122 CO -0.08 -0.11 0.96 0.20 -0.36 0.00 0.00 175.35 175.95 1rkr s GLY 123 N -0.83 -0.05 -0.07 5.54 0.00 0.16 -4.82 107.32 107.25 1rkr s GLY 123 Ca -0.09 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.51 1rkr s GLY 123 CO 0.02 0.73 -0.10 -1.34 0.00 0.00 0.00 173.10 172.40 1rkr s VAL 124 N -2.86 3.39 -0.11 1.40 -7.23 -0.80 -0.75 120.40 113.44 1rkr s VAL 124 Ca 0.16 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1rkr s VAL 124 Cb -0.02 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1rkr s VAL 124 CO 0.04 0.59 -0.14 -0.22 -0.31 0.00 0.00 175.10 175.06 1rkr s LEU 125 N -0.68 2.67 0.02 1.32 0.20 -0.15 -1.32 118.68 120.75 1rkr s LEU 125 Ca 0.10 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.60 1rkr s LEU 125 Cb -0.11 -1.58 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 1rkr s LEU 125 CO 0.01 0.21 0.00 -1.59 -0.29 0.00 0.00 176.35 174.70 1rkr s LYS 126 N 0.05 0.33 0.34 1.98 -2.85 -0.79 -2.60 119.74 116.21 1rkr s LYS 126 Ca -0.05 -0.55 -0.25 0.00 -1.00 0.00 0.00 55.97 54.11 1rkr s LYS 126 Cb -0.15 0.12 -0.10 0.00 -2.06 0.00 0.00 37.83 35.65 1rkr s LYS 126 CO 0.04 -0.06 0.96 -1.17 0.10 0.00 0.00 175.35 175.22 1rkr s LEU 127 N -1.40 4.29 0.22 2.77 2.96 -1.26 -0.55 118.68 125.71 1rkr s LEU 127 Ca -0.15 1.84 -0.00 0.00 -0.22 0.00 0.00 54.13 55.60 1rkr s LEU 127 Cb -0.09 -4.08 -0.04 0.00 0.50 0.00 0.00 46.19 42.48 1rkr s LEU 127 CO -0.01 -0.13 0.12 0.54 -1.32 0.00 0.00 176.35 175.55 1rkr s VAL 128 N -1.67 0.20 0.00 1.68 0.11 0.26 -4.86 120.40 116.12 1rkr s VAL 128 Ca 0.52 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.57 1rkr s VAL 128 Cb -0.18 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1rkr s VAL 128 CO 0.23 -0.00 0.00 0.47 -3.33 0.00 0.00 175.10 172.47