#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 2.69 -0.36 0.00 0.41 -1.26 -5.03 118.70 115.15 1rkr s GLU 2 Ca 0.00 -0.08 0.06 0.00 -0.41 0.00 0.00 54.97 54.55 1rkr s GLU 2 Cb 0.00 -2.23 0.49 0.00 -1.78 0.00 0.00 34.13 30.60 1rkr s GLU 2 CO 0.00 -0.88 1.50 0.00 -0.49 0.00 0.00 175.26 175.39 1rkr s SER 4 N -2.69 -0.09 -0.01 0.00 1.04 -1.26 -0.78 113.70 109.92 1rkr s SER 4 Ca 0.50 -0.68 -0.16 0.00 0.48 0.00 0.00 55.95 56.09 1rkr s SER 4 Cb 0.43 0.49 0.03 0.00 0.10 0.00 0.00 66.02 67.06 1rkr s SER 4 CO 0.01 -0.95 0.34 0.54 0.98 0.00 0.00 173.24 174.16 1rkr s VAL 5 N -3.92 0.06 -0.10 5.02 0.11 -0.19 -4.93 120.40 116.46 1rkr s VAL 5 Ca 0.13 -0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1rkr s VAL 5 Cb 0.02 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1rkr s VAL 5 CO -0.02 -0.26 -0.03 -1.81 -3.33 0.00 0.00 175.10 169.65 1rkr s ASP 6 N -1.43 4.96 -0.08 3.54 1.11 -1.26 -0.68 116.67 122.83 1rkr s ASP 6 Ca -0.12 0.03 -0.04 0.00 0.18 0.00 0.00 52.55 52.60 1rkr s ASP 6 Cb -0.04 -1.45 0.04 0.00 1.07 0.00 0.00 42.92 42.54 1rkr s ASP 6 CO 0.04 0.33 0.19 -0.51 1.18 0.00 0.00 175.17 176.39 1rkr s ILE 7 N -0.57 -0.04 -0.08 0.77 2.07 0.18 -4.93 121.20 118.59 1rkr s ILE 7 Ca 0.09 0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 59.45 1rkr s ILE 7 Cb -0.12 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1rkr s ILE 7 CO 0.02 0.06 0.03 0.00 -1.91 0.00 0.00 174.94 173.14 1rkr s ALA 8 N 1.08 3.41 -0.13 1.50 0.00 -1.26 -0.89 121.76 125.47 1rkr s ALA 8 Ca -0.08 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1rkr s ALA 8 Cb -0.10 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 1rkr s ALA 8 CO -0.06 0.60 -0.17 0.20 0.00 0.00 0.00 175.76 176.33 1rkr s GLY 9 N -0.99 1.46 0.00 0.00 0.00 -0.81 -1.71 107.32 105.28 1rkr s GLY 9 Ca 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1rkr s GLY 9 CO 0.04 -0.15 0.00 1.16 0.00 0.00 0.00 173.10 174.14 1rkr n ASN 10 N 3.71 1.39 0.23 1.64 0.23 -0.44 -4.11 115.26 117.91 1rkr n ASN 10 Ca -0.19 -0.97 0.14 0.00 -0.53 0.00 0.00 54.58 53.04 1rkr n ASN 10 Cb 0.52 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.61 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 0.00 0.00 -0.38 0.53 3.32 -1.89 -3.12 116.42 114.88 1rkr h ASP 11 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1rkr h ASP 11 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1rkr h ASP 11 CO 0.00 0.00 0.20 0.61 -1.72 0.00 0.00 179.24 178.33 1rkr n GLY 12 N 0.68 2.79 3.97 2.75 0.00 -1.26 -4.89 105.19 109.22 1rkr n GLY 12 Ca 0.03 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.06 -3.75 -4.26 1.61 1.56 -1.18 -5.00 117.12 106.04 1rkr n MET 13 Ca 0.22 0.45 -0.18 0.00 -0.27 0.00 0.00 57.70 57.92 1rkr n MET 13 Cb 0.90 -4.83 -0.13 0.00 2.15 0.00 0.00 33.22 31.31 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 -6.56 0.79 0.12 2.12 -0.21 -1.26 -4.22 119.66 110.44 1rkr s GLN 14 Ca 0.22 -0.71 -0.06 0.00 0.02 0.00 0.00 55.36 54.83 1rkr s GLN 14 Cb -0.11 -0.75 -0.06 0.00 1.00 0.00 0.00 33.01 33.09 1rkr s GLN 14 CO 0.88 0.18 0.37 -0.06 -2.12 0.00 0.00 175.29 174.54 1rkr s PHE 15 N -0.90 3.51 -0.20 0.91 0.08 -1.26 -1.33 117.98 118.78 1rkr s PHE 15 Ca -0.01 0.61 0.16 0.00 0.12 0.00 0.00 56.93 57.81 1rkr s PHE 15 Cb -0.08 -2.04 0.10 0.00 -0.57 0.00 0.00 43.02 40.43 1rkr s PHE 15 CO 0.01 0.47 1.44 0.38 -0.10 0.00 0.00 175.22 177.42 1rkr h ASP 16 N 3.11 0.00 -3.17 1.36 2.03 -1.73 -3.44 116.42 114.59 1rkr h ASP 16 Ca -0.47 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.16 1rkr h ASP 16 Cb 1.17 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.55 1rkr h ASP 16 CO 0.71 0.42 -0.59 -0.54 -1.03 0.00 0.00 179.24 178.20 1rkr s LYS 17 N -3.00 3.06 -0.00 4.15 3.01 -1.26 -4.98 119.74 120.71 1rkr s LYS 17 Ca 0.04 -0.38 0.15 0.00 -1.01 0.00 0.00 55.97 54.77 1rkr s LYS 17 Cb 0.07 -2.87 -0.18 0.00 -1.01 0.00 0.00 37.83 33.85 1rkr s LYS 17 CO 0.74 0.70 0.59 1.63 0.51 0.00 0.00 175.35 179.52 1rkr n LYS 18 N 1.92 1.76 -3.74 1.68 4.76 -1.26 -4.89 118.16 118.39 1rkr n LYS 18 Ca -0.18 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.11 1rkr n LYS 18 Cb 0.54 -1.24 -0.13 0.00 -1.84 0.00 0.00 35.03 32.35 1rkr n LYS 18 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1rkr s GLU 19 N -2.53 0.18 -0.09 1.97 2.12 -1.26 -2.22 118.70 116.86 1rkr s GLU 19 Ca 0.04 0.46 0.03 0.00 0.36 0.00 0.00 54.97 55.86 1rkr s GLU 19 Cb 0.11 -0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 1rkr s GLU 19 CO 0.62 -0.15 -0.21 0.42 -0.54 0.00 0.00 175.26 175.41 1rkr s ILE 20 N 1.11 2.39 -0.19 -3.70 1.01 -0.47 -5.00 121.20 116.36 1rkr s ILE 20 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1rkr s ILE 20 Cb -0.10 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.47 1rkr s ILE 20 CO -0.07 0.56 -0.18 0.28 0.00 0.00 0.00 174.94 175.53 1rkr s THR 21 N 0.14 2.01 -0.33 2.92 -1.32 -1.26 -1.65 115.64 116.15 1rkr s THR 21 Ca -0.11 -1.02 -0.18 0.00 -1.21 0.00 0.00 61.69 59.17 1rkr s THR 21 Cb -0.16 -1.88 -0.01 0.00 -1.51 0.00 0.00 72.50 68.94 1rkr s THR 21 CO 0.06 0.43 0.51 -0.69 -2.21 0.00 0.00 174.62 172.72 1rkr s VAL 22 N 1.28 5.03 0.40 5.08 1.01 0.67 -4.92 120.40 128.96 1rkr s VAL 22 Ca 0.03 0.48 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 1rkr s VAL 22 Cb -0.14 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1rkr s VAL 22 CO -0.11 -0.13 1.19 -0.55 0.00 0.00 0.00 175.10 175.49 1rkr s SER 23 N 1.71 6.51 0.13 3.32 0.15 -1.26 -0.53 113.70 123.72 1rkr s SER 23 Ca 0.19 2.39 0.20 0.00 0.70 0.00 0.00 55.95 59.44 1rkr s SER 23 Cb -0.15 -2.62 0.84 0.00 -1.71 0.00 0.00 66.02 62.37 1rkr s SER 23 CO 0.12 -0.69 1.63 0.29 1.20 0.00 0.00 173.24 175.79 1rkr n LYS 24 N 0.11 0.11 0.12 5.44 5.02 -0.71 -2.14 118.16 126.10 1rkr n LYS 24 Ca 0.04 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1rkr n LYS 24 Cb 0.46 -1.69 0.47 0.00 -0.02 0.00 0.00 35.03 34.26 1rkr n LYS 24 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1rkr n SER 25 N -1.88 0.59 -4.75 4.39 7.64 -1.26 -4.78 113.62 113.56 1rkr n SER 25 Ca 0.03 0.65 -0.39 0.00 1.01 0.00 0.00 58.87 60.17 1rkr n SER 25 Cb 0.23 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 1rkr n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rkr n LYS 27 N 2.80 0.68 -4.32 0.00 4.81 -1.26 -4.58 118.16 116.30 1rkr n LYS 27 Ca -0.05 0.24 -0.23 0.00 -0.87 0.00 0.00 58.31 57.40 1rkr n LYS 27 Cb 0.51 -1.72 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 1rkr n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1rkr s GLN 28 N -2.57 1.24 -0.01 1.64 -0.21 -1.26 -0.95 119.66 117.53 1rkr s GLN 28 Ca -0.13 -1.32 0.01 0.00 0.02 0.00 0.00 55.36 53.93 1rkr s GLN 28 Cb 0.07 -1.40 0.01 0.00 1.00 0.00 0.00 33.01 32.69 1rkr s GLN 28 CO 0.79 0.30 -0.02 0.12 -2.12 0.00 0.00 175.29 174.36 1rkr s PHE 29 N -1.66 0.29 -0.07 0.91 5.36 0.29 -4.80 117.98 118.30 1rkr s PHE 29 Ca 0.12 -0.04 0.04 0.00 -0.96 0.00 0.00 56.93 56.10 1rkr s PHE 29 Cb -0.08 -0.25 -0.02 0.00 -0.34 0.00 0.00 43.02 42.34 1rkr s PHE 29 CO 0.06 -0.04 -0.20 0.99 -1.46 0.00 0.00 175.22 174.57 1rkr s THR 30 N 0.27 2.51 -0.16 0.12 2.01 0.04 -0.91 115.64 119.52 1rkr s THR 30 Ca -0.02 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1rkr s THR 30 Cb -0.05 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1rkr s THR 30 CO -0.01 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 1rkr s VAL 31 N -0.18 3.03 -0.28 3.82 1.01 -0.11 -1.02 120.40 126.67 1rkr s VAL 31 Ca -0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1rkr s VAL 31 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1rkr s VAL 31 CO 0.03 0.50 0.03 0.20 0.00 0.00 0.00 175.10 175.87 1rkr s ASN 32 N 0.73 4.85 -0.26 3.32 -0.87 0.15 -1.39 114.94 121.47 1rkr s ASN 32 Ca -0.05 -0.74 -0.10 0.00 -1.57 0.00 0.00 52.86 50.40 1rkr s ASN 32 Cb -0.15 -1.81 -0.05 0.00 -0.02 0.00 0.00 41.25 39.22 1rkr s ASN 32 CO 0.02 -0.16 0.16 -0.22 -2.57 0.00 0.00 177.10 174.32 1rkr s LEU 33 N 1.45 3.98 0.09 0.60 2.96 0.38 -0.65 118.68 127.49 1rkr s LEU 33 Ca 0.02 0.02 0.10 0.00 -0.22 0.00 0.00 54.13 54.04 1rkr s LEU 33 Cb -0.17 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1rkr s LEU 33 CO 0.00 0.00 -0.26 -1.59 -1.32 0.00 0.00 176.35 173.18 1rkr s LYS 34 N 1.43 1.54 -0.42 1.98 0.00 -0.07 -0.66 119.74 123.54 1rkr s LYS 34 Ca 0.07 -1.22 -0.01 0.00 0.00 0.00 0.00 55.97 54.81 1rkr s LYS 34 Cb -0.15 -1.87 0.11 0.00 0.00 0.00 0.00 37.83 35.92 1rkr s LYS 34 CO 0.07 0.46 0.19 -1.58 0.00 0.00 0.00 175.35 174.50 1rkr s HIS 35 N -0.95 3.60 1.17 1.78 2.46 -0.02 -1.92 115.29 121.40 1rkr s HIS 35 Ca 0.12 -2.63 -0.17 0.00 0.47 0.00 0.00 55.06 52.86 1rkr s HIS 35 Cb -0.10 -3.13 0.27 0.00 -0.13 0.00 0.00 32.58 29.49 1rkr s HIS 35 CO 0.04 -0.95 1.07 -1.25 -2.47 0.00 0.00 174.74 171.19 1rkr s PRO 36 N 0.91 -0.92 0.00 2.88 0.04 -1.26 -1.46 135.00 135.18 1rkr s PRO 36 Ca 0.10 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1rkr s PRO 36 Cb -0.22 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1rkr s PRO 36 CO -0.05 -3.58 0.00 0.41 0.04 0.00 0.00 177.00 173.82 1rkr n GLY 37 N -0.48 -0.45 0.65 0.56 0.00 -1.26 -4.54 105.19 99.68 1rkr n GLY 37 Ca 0.09 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 1.99 -3.23 1.61 2.85 -1.26 -2.92 118.16 116.93 1rkr n LYS 38 Ca 0.00 -1.78 -0.32 0.00 -1.05 0.00 0.00 58.31 55.16 1rkr n LYS 38 Cb 0.00 -1.29 -0.05 0.00 -0.65 0.00 0.00 35.03 33.04 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 -1.03 4.08 0.66 -5.58 1.43 -1.26 -4.83 118.68 112.15 1rkr s LEU 39 Ca 0.22 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 1rkr s LEU 39 Cb 0.13 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1rkr s LEU 39 CO 0.17 -0.17 1.05 0.00 0.23 0.00 0.00 176.35 177.63 1rkr s ALA 40 N -1.97 2.81 0.30 4.21 0.00 -1.26 -0.71 121.76 125.14 1rkr s ALA 40 Ca 0.51 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1rkr s ALA 40 Cb -0.11 -3.15 0.64 0.00 0.00 0.00 0.00 23.12 20.50 1rkr s ALA 40 CO 0.21 -1.02 1.82 -0.22 0.00 0.00 0.00 175.76 176.55 1rkr h LYS 41 N -0.49 0.87 0.00 0.00 3.64 -1.85 -0.74 116.57 118.00 1rkr h LYS 41 Ca -0.44 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1rkr h LYS 41 Cb 1.20 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1rkr h LYS 41 CO 0.58 0.57 -0.08 -2.95 -2.27 0.00 0.00 179.45 175.30 1rkr h ASN 42 N 0.89 0.00 0.00 4.20 -1.07 -1.94 -1.15 115.58 116.51 1rkr h ASN 42 Ca 0.52 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.71 1rkr h ASN 42 Cb 0.65 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.87 1rkr h ASN 42 CO -0.30 0.08 -1.69 1.33 0.07 0.00 0.00 177.43 176.93 1rkr n VAL 43 N -3.53 0.69 -2.92 6.14 0.24 -0.58 -4.84 118.33 113.53 1rkr n VAL 43 Ca -0.02 -0.31 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 1rkr n VAL 43 Cb 0.21 -0.88 -0.00 0.00 -1.47 0.00 0.00 33.84 31.70 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 1.30 -2.40 7.34 0.00 -0.39 -5.04 117.12 115.22 1rkr n MET 44 Ca -0.20 -3.47 -0.34 0.00 -0.00 0.00 0.00 57.70 53.70 1rkr n MET 44 Cb 0.76 -1.57 -0.02 0.00 0.00 0.00 0.00 33.22 32.38 1rkr n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1rkr s GLY 45 N -2.84 2.38 -0.00 -5.12 0.00 -0.44 -4.75 107.32 96.56 1rkr s GLY 45 Ca 0.36 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.57 1rkr s GLY 45 CO -0.04 0.84 0.06 0.30 0.00 0.00 0.00 173.10 174.26 1rkr s HIS 46 N -2.14 0.07 0.30 1.90 3.76 -0.58 -4.79 115.29 113.82 1rkr s HIS 46 Ca 0.66 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.46 1rkr s HIS 46 Cb -0.16 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 1rkr s HIS 46 CO 0.25 -0.16 0.18 0.54 -0.85 0.00 0.00 174.74 174.70 1rkr s ASN 47 N -0.87 1.41 -0.09 1.40 2.20 -1.26 -0.49 114.94 117.24 1rkr s ASN 47 Ca -0.10 -1.58 0.01 0.00 -0.94 0.00 0.00 52.86 50.24 1rkr s ASN 47 Cb -0.06 0.43 0.02 0.00 -2.00 0.00 0.00 41.25 39.64 1rkr s ASN 47 CO 0.00 -0.92 -0.08 0.86 -2.94 0.00 0.00 177.10 174.01 1rkr s TRP 48 N -3.64 1.37 0.04 1.54 -0.00 -1.26 -4.15 118.94 112.83 1rkr s TRP 48 Ca 0.37 -0.60 0.07 0.00 -0.00 0.00 0.00 56.10 55.95 1rkr s TRP 48 Cb 0.05 -1.11 -0.02 0.00 -0.00 0.00 0.00 33.47 32.39 1rkr s TRP 48 CO 0.19 -0.40 -0.21 0.08 -0.00 0.00 0.00 176.95 176.61 1rkr s VAL 49 N 1.31 1.69 -0.19 5.86 1.01 -0.40 -1.50 120.40 128.19 1rkr s VAL 49 Ca -0.03 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1rkr s VAL 49 Cb -0.14 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1rkr s VAL 49 CO -0.03 0.25 -0.19 -0.22 0.00 0.00 0.00 175.10 174.91 1rkr s LEU 50 N -1.09 2.22 0.14 3.92 0.20 0.01 -1.92 118.68 122.16 1rkr s LEU 50 Ca 0.08 -0.66 -0.00 0.00 0.69 0.00 0.00 54.13 54.24 1rkr s LEU 50 Cb -0.09 -1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 1rkr s LEU 50 CO 0.01 -0.01 0.03 0.42 -0.29 0.00 0.00 176.35 176.52 1rkr s THR 51 N 1.30 0.32 0.55 3.68 -4.23 -0.78 -0.71 115.64 115.76 1rkr s THR 51 Ca 0.05 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.43 1rkr s THR 51 Cb -0.13 -2.05 -0.06 0.00 1.34 0.00 0.00 72.50 71.61 1rkr s THR 51 CO -0.12 -0.50 1.15 -0.54 -0.54 0.00 0.00 174.62 174.07 1rkr s LYS 52 N -3.99 3.31 0.26 3.99 3.01 -1.26 -1.07 119.74 123.99 1rkr s LYS 52 Ca 0.23 1.67 -0.05 0.00 -1.01 0.00 0.00 55.97 56.82 1rkr s LYS 52 Cb 0.07 -2.02 0.52 0.00 -1.01 0.00 0.00 37.83 35.39 1rkr s LYS 52 CO 0.02 -0.90 1.62 0.37 0.51 0.00 0.00 175.35 176.97 1rkr h GLN 53 N 1.20 0.08 0.00 1.68 5.75 -1.41 -0.49 115.11 121.92 1rkr h GLN 53 Ca -0.50 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 57.91 1rkr h GLN 53 Cb 1.27 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 1rkr h GLN 53 CO 0.57 0.06 -0.39 0.00 -2.65 0.00 0.00 178.83 176.41 1rkr h ALA 54 N 1.78 0.99 -0.00 3.38 0.00 -1.92 -3.17 119.26 120.32 1rkr h ALA 54 Ca 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rkr h ALA 54 Cb 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rkr h ALA 54 CO -0.74 0.49 -0.13 -0.25 0.00 0.00 0.00 179.25 178.63 1rkr n ASP 55 N -3.55 0.61 0.21 0.00 8.00 -0.20 -4.52 116.55 117.10 1rkr n ASP 55 Ca -0.00 -0.70 -0.15 0.00 0.71 0.00 0.00 54.79 54.65 1rkr n ASP 55 Cb 0.52 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.77 -0.67 -0.24 -1.24 4.05 -1.51 -2.37 114.93 113.72 1rkr h MET 56 Ca 0.00 0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1rkr h MET 56 Cb 0.38 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1rkr h MET 56 CO 0.00 -0.45 -0.03 0.37 0.23 0.00 0.00 176.91 177.04 1rkr h GLN 57 N -0.70 0.36 -0.16 0.39 5.75 -1.85 -0.49 115.11 118.41 1rkr h GLN 57 Ca -0.02 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1rkr h GLN 57 Cb 0.64 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1rkr h GLN 57 CO -0.07 0.41 0.08 0.78 -2.65 0.00 0.00 178.83 177.38 1rkr h GLY 58 N 0.71 0.25 1.26 2.39 0.00 -1.82 -0.43 103.07 105.43 1rkr h GLY 58 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1rkr h GLY 58 CO 0.01 0.11 0.28 0.00 0.00 0.00 0.00 176.54 176.94 1rkr h ALA 59 N 0.96 1.26 -0.05 3.60 0.00 -0.78 -0.81 119.26 123.44 1rkr h ALA 59 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1rkr h ALA 59 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1rkr h ALA 59 CO -0.01 0.55 -0.02 0.28 0.00 0.00 0.00 179.25 180.06 1rkr h VAL 60 N 0.94 1.31 -0.27 0.00 2.07 -0.81 -0.87 116.25 118.61 1rkr h VAL 60 Ca 0.22 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 1rkr h VAL 60 Cb 0.15 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1rkr h VAL 60 CO -0.02 0.26 -0.36 0.78 0.02 0.00 0.00 177.57 178.24 1rkr h ASN 61 N -0.28 0.63 1.07 0.57 -0.26 -0.73 -0.66 115.58 115.92 1rkr h ASN 61 Ca 0.01 -0.27 -0.08 0.00 -0.56 0.00 0.00 56.30 55.41 1rkr h ASN 61 Cb 0.42 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1rkr h ASN 61 CO 0.01 0.94 -0.37 0.44 -1.06 0.00 0.00 177.43 177.38 1rkr h ASP 62 N 0.50 0.00 -0.26 5.81 3.32 -1.19 -3.17 116.42 121.43 1rkr h ASP 62 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1rkr h ASP 62 Cb 0.86 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1rkr h ASP 62 CO 0.07 0.37 -0.25 1.23 -1.72 0.00 0.00 179.24 178.94 1rkr h GLY 63 N 2.52 0.69 0.17 2.75 0.00 -0.29 -2.46 103.07 106.44 1rkr h GLY 63 Ca -0.00 -0.70 0.13 0.00 0.00 0.00 0.00 47.33 46.75 1rkr h GLY 63 CO 0.05 0.63 0.22 1.98 0.00 0.00 0.00 176.54 179.42 1rkr h MET 64 N 0.36 0.35 0.00 4.80 -1.53 -1.17 0.10 114.93 117.83 1rkr h MET 64 Ca 0.04 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1rkr h MET 64 Cb 0.81 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.78 1rkr h MET 64 CO 0.06 0.23 -0.01 0.00 0.14 0.00 0.00 176.91 177.33 1rkr h ALA 65 N 1.52 1.00 0.00 0.39 0.00 -1.50 -3.23 119.26 117.44 1rkr h ALA 65 Ca 0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 1rkr h ALA 65 Cb 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1rkr h ALA 65 CO -0.40 0.02 -0.71 0.00 0.00 0.00 0.00 179.25 178.16 1rkr h ALA 66 N 1.99 0.66 0.00 0.00 0.00 -0.31 -3.50 119.26 118.09 1rkr h ALA 66 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1rkr h ALA 66 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rkr h ALA 66 CO 0.00 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1rkr n GLY 67 N 0.91 -0.90 0.32 0.00 0.00 -1.21 -4.25 105.19 100.06 1rkr n GLY 67 Ca 0.00 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1rkr n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rkr h LEU 68 N 0.00 0.42 0.00 0.99 3.38 -1.92 0.36 115.31 118.54 1rkr h LEU 68 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rkr h LEU 68 Cb 0.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1rkr h LEU 68 CO 0.00 0.05 0.00 0.47 0.09 0.00 0.00 178.44 179.05 1rkr n ASP 69 N -4.99 0.00 0.00 -0.43 8.00 -1.26 -0.30 116.55 117.57 1rkr n ASP 69 Ca 0.22 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1rkr n ASP 69 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1rkr n ASP 69 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rkr n ASN 70 N -0.67 1.04 -2.49 -2.24 3.02 -0.02 -5.00 115.26 108.90 1rkr n ASN 70 Ca 0.06 -1.44 -0.21 0.00 -0.03 0.00 0.00 54.58 52.97 1rkr n ASN 70 Cb 0.03 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.22 -5.95 -3.84 6.41 3.02 0.58 -2.56 115.26 112.71 1rkr n ASN 71 Ca 0.00 -0.05 -0.27 0.00 -0.03 0.00 0.00 54.58 54.23 1rkr n ASN 71 Cb 0.28 -4.93 0.03 0.00 -0.61 0.00 0.00 39.78 34.54 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 -4.08 -2.12 -3.74 3.10 4.01 -0.37 -4.60 117.16 109.37 1rkr n TYR 72 Ca -0.23 0.87 -0.15 0.00 -0.16 0.00 0.00 57.90 58.23 1rkr n TYR 72 Cb 0.68 -4.13 -0.16 0.00 -0.31 0.00 0.00 39.34 35.42 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 -3.48 -0.09 0.14 -0.72 1.01 -1.06 -4.42 120.40 111.78 1rkr s VAL 73 Ca 0.38 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 1rkr s VAL 73 Cb -0.19 -0.17 -0.11 0.00 0.00 0.00 0.00 36.38 35.91 1rkr s VAL 73 CO 0.83 0.10 1.82 1.17 0.00 0.00 0.00 175.10 179.02 1rkr n LYS 74 N 4.48 2.79 -2.02 2.72 4.81 -1.26 -4.84 118.16 124.83 1rkr n LYS 74 Ca -0.21 1.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.83 1rkr n LYS 74 Cb 0.51 -2.90 -0.02 0.00 0.02 0.00 0.00 35.03 32.63 1rkr n LYS 74 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1rkr s LYS 75 N 2.47 4.27 -1.54 1.64 2.20 -1.26 -1.91 119.74 125.61 1rkr s LYS 75 Ca 0.81 2.28 -0.04 0.00 -0.36 0.00 0.00 55.97 58.66 1rkr s LYS 75 Cb -0.49 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1rkr s LYS 75 CO 0.36 -0.43 0.49 -0.25 -0.36 0.00 0.00 175.35 175.16 1rkr n ASP 76 N 2.66 -5.94 -4.61 1.43 8.00 -1.26 -4.92 116.55 111.90 1rkr n ASP 76 Ca 0.08 -0.23 -0.43 0.00 0.71 0.00 0.00 54.79 54.92 1rkr n ASP 76 Cb 0.40 -4.80 -0.02 0.00 -0.02 0.00 0.00 41.12 36.68 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 -2.61 6.42 0.56 -2.24 -1.08 -0.80 -4.87 116.67 112.05 1rkr s ASP 77 Ca 0.24 0.97 0.31 0.00 -0.52 0.00 0.00 52.55 53.55 1rkr s ASP 77 Cb -0.11 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.28 1rkr s ASP 77 CO 0.30 -1.33 1.88 0.00 0.52 0.00 0.00 175.17 176.53 1rkr h ALA 78 N 10.34 2.64 0.00 3.66 0.00 -1.91 -1.50 119.26 132.49 1rkr h ALA 78 Ca -0.27 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1rkr h ALA 78 Cb 1.11 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1rkr h ALA 78 CO 1.07 -0.99 -0.55 0.00 0.00 0.00 0.00 179.25 178.77 1rkr h ARG 79 N 0.00 0.00 -6.35 0.00 3.08 -1.97 -3.43 114.38 105.71 1rkr h ARG 79 Ca 0.36 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.82 1rkr h ARG 79 Cb 1.57 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.53 1rkr h ARG 79 CO -0.00 0.55 0.72 0.08 -1.07 0.00 0.00 179.97 180.25 1rkr s VAL 80 N -3.15 4.39 0.12 2.04 1.01 -0.57 -4.39 120.40 119.85 1rkr s VAL 80 Ca 0.02 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 62.89 1rkr s VAL 80 Cb 0.09 -4.49 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 1rkr s VAL 80 CO 0.74 -0.86 1.35 0.40 0.00 0.00 0.00 175.10 176.73 1rkr h ILE 81 N 6.10 1.30 -2.08 2.22 2.04 -1.20 -3.47 117.51 122.41 1rkr h ILE 81 Ca -0.23 -1.98 -0.06 0.00 1.00 0.00 0.00 64.86 63.59 1rkr h ILE 81 Cb 1.07 1.97 -0.20 0.00 -0.74 0.00 0.00 36.82 38.92 1rkr h ILE 81 CO 1.06 0.62 0.14 0.00 0.00 0.00 0.00 178.15 179.97 1rkr s ALA 82 N -3.77 -1.69 -0.14 1.87 0.00 -1.23 -5.00 121.76 111.79 1rkr s ALA 82 Ca -0.09 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 1rkr s ALA 82 Cb 0.09 -0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.01 1rkr s ALA 82 CO 0.89 -0.35 0.72 -3.38 0.00 0.00 0.00 175.76 173.64 1rkr s HIS 83 N -0.81 -0.68 0.31 0.00 -3.43 -1.26 -0.81 115.29 108.60 1rkr s HIS 83 Ca -0.08 1.39 -0.03 0.00 -0.80 0.00 0.00 55.06 55.54 1rkr s HIS 83 Cb -0.02 0.36 0.07 0.00 -1.43 0.00 0.00 32.58 31.56 1rkr s HIS 83 CO 0.07 -0.50 0.43 0.25 -2.00 0.00 0.00 174.74 172.99 1rkr n THR 84 N 1.57 0.00 -2.22 -5.38 -2.24 -0.56 -4.89 114.28 100.56 1rkr n THR 84 Ca -0.17 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 60.87 1rkr n THR 84 Cb 0.56 -1.47 0.07 0.00 -2.10 0.00 0.00 70.33 67.40 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 -3.69 2.15 -0.11 -0.78 1.02 -1.26 -4.72 119.74 112.35 1rkr s LYS 85 Ca 0.26 -0.30 -0.26 0.00 0.02 0.00 0.00 55.97 55.69 1rkr s LYS 85 Cb -0.01 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1rkr s LYS 85 CO 0.18 -1.26 0.84 0.08 -0.92 0.00 0.00 175.35 174.28 1rkr s VAL 86 N -3.24 4.91 0.25 3.17 1.01 -1.26 -4.21 120.40 121.03 1rkr s VAL 86 Ca 0.61 1.71 0.11 0.00 0.00 0.00 0.00 61.98 64.40 1rkr s VAL 86 Cb -0.10 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1rkr s VAL 86 CO 0.45 0.10 -0.20 0.27 0.00 0.00 0.00 175.10 175.72 1rkr s ILE 87 N 1.61 2.32 0.40 2.22 -4.36 0.36 -4.86 121.20 118.89 1rkr s ILE 87 Ca 0.42 -2.30 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 1rkr s ILE 87 Cb -0.18 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1rkr s ILE 87 CO 0.17 -0.38 0.13 0.61 0.24 0.00 0.00 174.94 175.71 1rkr n GLY 88 N -0.40 3.33 3.62 6.27 0.00 -1.26 -1.52 105.19 115.23 1rkr n GLY 88 Ca -0.07 -2.31 -0.52 0.00 0.00 0.00 0.00 46.02 43.12 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 0.16 0.66 1.67 -0.02 0.00 0.11 -1.57 105.19 106.21 1rkr n GLY 89 Ca -0.10 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 3.00 0.69 3.81 -0.02 0.00 -0.54 -4.90 105.19 107.23 1rkr n GLY 90 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.26 2.28 0.03 1.61 2.02 -0.61 -4.97 118.70 118.80 1rkr s GLU 91 Ca 0.00 -1.90 -0.00 0.00 0.02 0.00 0.00 54.97 53.08 1rkr s GLU 91 Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1rkr s GLU 91 CO 0.00 -0.30 -0.03 0.99 0.02 0.00 0.00 175.26 175.93 1rkr s THR 92 N -2.66 0.17 0.06 3.63 2.01 -1.26 -0.84 115.64 116.75 1rkr s THR 92 Ca 0.37 -1.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 1rkr s THR 92 Cb 0.01 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.80 1rkr s THR 92 CO 0.21 -0.67 0.23 -0.62 -0.69 0.00 0.00 174.62 173.08 1rkr s ASP 93 N -1.99 0.01 0.04 3.53 2.15 0.16 -4.99 116.67 115.57 1rkr s ASP 93 Ca -0.07 -0.42 0.04 0.00 0.43 0.00 0.00 52.55 52.52 1rkr s ASP 93 Cb -0.04 0.34 -0.02 0.00 -0.30 0.00 0.00 42.92 42.90 1rkr s ASP 93 CO -0.04 -0.65 -0.11 -0.44 -0.17 0.00 0.00 175.17 173.76 1rkr s SER 94 N -2.40 1.30 0.01 -0.34 0.01 -1.26 -0.47 113.70 110.55 1rkr s SER 94 Ca -0.01 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.83 1rkr s SER 94 Cb 0.01 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 1rkr s SER 94 CO -0.07 -0.04 -0.09 0.54 0.41 0.00 0.00 173.24 173.99 1rkr s VAL 95 N -0.94 0.71 -0.08 3.43 0.11 -0.49 -4.90 120.40 118.24 1rkr s VAL 95 Ca -0.02 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1rkr s VAL 95 Cb -0.08 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1rkr s VAL 95 CO 0.01 0.06 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.75 1rkr s THR 96 N -0.51 1.65 0.20 5.04 2.01 -1.26 -0.94 115.64 121.84 1rkr s THR 96 Ca 0.01 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1rkr s THR 96 Cb -0.05 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1rkr s THR 96 CO 0.00 0.47 -0.11 0.72 -0.69 0.00 0.00 174.62 175.01 1rkr s PHE 97 N 0.42 1.60 -0.07 4.92 -0.71 -0.09 -4.92 117.98 119.13 1rkr s PHE 97 Ca -0.16 -0.67 -0.30 0.00 -1.04 0.00 0.00 56.93 54.77 1rkr s PHE 97 Cb -0.17 -0.80 -0.03 0.00 -1.21 0.00 0.00 43.02 40.82 1rkr s PHE 97 CO 0.06 0.24 1.14 -0.51 -1.34 0.00 0.00 175.22 174.81 1rkr s ASP 98 N -3.29 7.11 0.60 1.98 1.11 -1.26 -0.55 116.67 122.37 1rkr s ASP 98 Ca 0.22 1.72 0.33 0.00 0.18 0.00 0.00 52.55 55.00 1rkr s ASP 98 Cb 0.01 -2.56 1.89 0.00 1.07 0.00 0.00 42.92 43.33 1rkr s ASP 98 CO 0.06 -0.54 2.25 0.58 1.18 0.00 0.00 175.17 178.70 1rkr h VAL 99 N 5.04 0.41 0.00 -1.27 2.07 -1.29 -1.71 116.25 119.49 1rkr h VAL 99 Ca -0.33 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1rkr h VAL 99 Cb 1.16 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1rkr h VAL 99 CO 0.87 0.02 0.00 -1.54 0.02 0.00 0.00 177.57 176.94 1rkr n SER 100 N -3.63 0.27 -0.13 0.57 3.41 -1.26 -0.90 113.62 111.95 1rkr n SER 100 Ca -0.03 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1rkr n SER 100 Cb 0.11 -0.65 0.63 0.00 -0.26 0.00 0.00 64.21 64.03 1rkr n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1rkr n LYS 101 N -1.85 0.76 -4.19 4.33 5.02 -0.64 -4.84 118.16 116.74 1rkr n LYS 101 Ca -0.00 -0.25 -0.35 0.00 -2.02 0.00 0.00 58.31 55.69 1rkr n LYS 101 Cb 0.04 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1rkr n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rkr s LEU 102 N -2.42 3.84 -0.23 -0.35 1.43 -0.08 -5.09 118.68 115.79 1rkr s LEU 102 Ca 0.31 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1rkr s LEU 102 Cb 0.20 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1rkr s LEU 102 CO 0.46 0.36 0.01 0.00 0.23 0.00 0.00 176.35 177.41 1rkr s ALA 103 N -1.00 2.98 0.44 4.21 0.00 -1.26 -5.05 121.76 122.09 1rkr s ALA 103 Ca 0.16 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.75 1rkr s ALA 103 Cb -0.12 -1.86 -0.08 0.00 0.00 0.00 0.00 23.12 21.06 1rkr s ALA 103 CO 0.06 -0.41 1.26 0.00 0.00 0.00 0.00 175.76 176.67 1rkr s ALA 104 N 1.46 3.11 0.00 0.00 0.00 -1.26 -2.10 121.76 122.97 1rkr s ALA 104 Ca 0.05 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1rkr s ALA 104 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1rkr s ALA 104 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1rkr n GLY 105 N 0.62 3.10 3.90 0.00 0.00 -1.26 -5.05 105.19 106.50 1rkr n GLY 105 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1rkr n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rkr s GLU 106 N -0.41 3.53 0.05 1.61 -6.30 -0.89 -5.10 118.70 111.19 1rkr s GLU 106 Ca 0.00 -0.24 0.09 0.00 -2.50 0.00 0.00 54.97 52.32 1rkr s GLU 106 Cb 0.00 -2.99 -0.03 0.00 0.00 0.00 0.00 34.13 31.11 1rkr s GLU 106 CO 0.00 0.58 -0.25 0.34 0.02 0.00 0.00 175.26 175.95 1rkr s ASP 107 N -2.26 3.27 -0.01 -1.70 -1.08 -1.26 -4.82 116.67 108.81 1rkr s ASP 107 Ca 0.35 -0.57 0.06 0.00 -0.52 0.00 0.00 52.55 51.87 1rkr s ASP 107 Cb -0.13 -0.34 -0.03 0.00 -1.46 0.00 0.00 42.92 40.97 1rkr s ASP 107 CO 0.24 0.26 -0.20 -0.31 0.52 0.00 0.00 175.17 175.68 1rkr s TYR 108 N -0.83 2.53 -0.13 -5.34 2.02 -1.15 -1.08 117.35 113.38 1rkr s TYR 108 Ca 0.12 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1rkr s TYR 108 Cb -0.10 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1rkr s TYR 108 CO 0.03 0.14 -0.03 0.00 -1.57 0.00 0.00 175.55 174.11 1rkr s ALA 109 N -0.76 3.06 -0.02 3.71 0.00 -0.23 -0.89 121.76 126.63 1rkr s ALA 109 Ca 0.12 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1rkr s ALA 109 Cb -0.10 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 1rkr s ALA 109 CO 0.02 0.35 -0.14 1.52 0.00 0.00 0.00 175.76 177.50 1rkr s TYR 110 N -0.09 2.68 0.30 0.00 -0.85 0.71 -1.86 117.35 118.24 1rkr s TYR 110 Ca 0.02 -0.17 -0.11 0.00 -0.52 0.00 0.00 57.07 56.29 1rkr s TYR 110 Cb -0.13 -1.58 0.01 0.00 0.38 0.00 0.00 41.96 40.64 1rkr s TYR 110 CO 0.02 0.23 0.54 -0.59 -1.52 0.00 0.00 175.55 174.23 1rkr s PHE 111 N -0.82 0.50 -0.20 -3.49 -0.71 -0.81 0.05 117.98 112.50 1rkr s PHE 111 Ca 0.13 -0.88 -0.06 0.00 -1.04 0.00 0.00 56.93 55.08 1rkr s PHE 111 Cb -0.11 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1rkr s PHE 111 CO 0.03 -1.13 0.03 0.00 -1.34 0.00 0.00 175.22 172.81 1rkr n SER 113 N 4.05 3.39 -4.76 0.00 3.41 -1.26 -2.65 113.62 115.80 1rkr n SER 113 Ca -0.17 -2.04 -0.41 0.00 -0.26 0.00 0.00 58.87 55.99 1rkr n SER 113 Cb 0.52 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1rkr n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1rkr s PHE 114 N -1.24 2.90 -0.35 7.33 2.19 -1.26 -4.32 117.98 123.23 1rkr s PHE 114 Ca 0.41 1.07 -0.44 0.00 0.33 0.00 0.00 56.93 58.31 1rkr s PHE 114 Cb 0.22 -3.88 -0.18 0.00 -1.31 0.00 0.00 43.02 37.87 1rkr s PHE 114 CO 0.27 -2.76 1.59 -2.30 1.83 0.00 0.00 175.22 173.85 1rkr n PRO 115 N 1.72 0.45 -0.90 10.12 -0.02 -1.26 -1.41 135.00 143.70 1rkr n PRO 115 Ca 0.05 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1rkr n PRO 115 Cb 0.40 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 3.76 0.38 0.13 -1.23 0.00 -1.26 -4.84 105.19 102.12 1rkr n GLY 116 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.29 1.61 3.86 -1.45 -3.30 115.15 115.57 1rkr h HIS 117 Ca 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1rkr h HIS 117 Cb 0.27 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1rkr h HIS 117 CO 0.17 0.57 0.35 0.27 0.86 0.00 0.00 177.93 180.15 1rkr h PHE 118 N 0.00 0.00 0.00 2.45 -0.00 -1.70 -0.09 116.94 117.60 1rkr h PHE 118 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.88 1rkr h PHE 118 Cb 1.45 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.39 1rkr h PHE 118 CO 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 178.31 177.94 1rkr h ALA 119 N 1.58 1.28 0.00 12.09 0.00 -1.90 -3.31 119.26 128.99 1rkr h ALA 119 Ca 0.14 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1rkr h ALA 119 Cb 0.84 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1rkr h ALA 119 CO -0.00 0.46 -1.60 1.28 0.00 0.00 0.00 179.25 179.39 1rkr n LEU 120 N -3.94 2.88 -4.48 0.00 7.99 -0.91 -4.87 117.00 113.67 1rkr n LEU 120 Ca -0.02 -0.06 -0.44 0.00 -0.01 0.00 0.00 56.01 55.49 1rkr n LEU 120 Cb 0.42 -0.35 -0.01 0.00 -0.11 0.00 0.00 43.42 43.37 1rkr n LEU 120 CO 0.38 0.66 1.33 -0.04 -1.51 0.00 0.00 177.39 178.21 1rkr s MET 121 N -2.21 3.86 -0.00 3.23 -1.94 -0.10 -4.75 119.30 117.39 1rkr s MET 121 Ca -0.14 -2.09 -0.16 0.00 -1.71 0.00 0.00 55.69 51.59 1rkr s MET 121 Cb 0.04 -5.10 0.03 0.00 2.01 0.00 0.00 34.83 31.81 1rkr s MET 121 CO 0.25 -1.87 0.35 0.21 -0.01 0.00 0.00 175.02 173.95 1rkr s LYS 122 N 2.60 0.75 0.28 2.03 2.36 -1.26 -2.07 119.74 124.43 1rkr s LYS 122 Ca 0.41 -0.21 -0.16 0.00 -2.55 0.00 0.00 55.97 53.46 1rkr s LYS 122 Cb -0.02 0.33 0.06 0.00 -1.05 0.00 0.00 37.83 37.15 1rkr s LYS 122 CO -0.03 -0.22 0.80 0.41 1.55 0.00 0.00 175.35 177.86 1rkr n GLY 123 N 1.08 0.91 3.28 5.54 0.00 0.11 -4.87 105.19 111.24 1rkr n GLY 123 Ca -0.21 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1rkr n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rkr s VAL 124 N -2.15 1.99 -0.07 1.61 -7.23 -0.94 -0.21 120.40 113.40 1rkr s VAL 124 Ca 0.17 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 1rkr s VAL 124 Cb -0.04 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1rkr s VAL 124 CO 0.09 0.56 -0.08 -0.22 -0.31 0.00 0.00 175.10 175.14 1rkr s LEU 125 N -0.42 3.12 0.01 1.32 0.20 -0.07 -1.37 118.68 121.47 1rkr s LEU 125 Ca 0.05 -0.06 -0.12 0.00 0.69 0.00 0.00 54.13 54.69 1rkr s LEU 125 Cb -0.11 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.98 1rkr s LEU 125 CO 0.01 0.34 0.25 -1.59 -0.29 0.00 0.00 176.35 175.07 1rkr s LYS 126 N -0.67 0.65 0.12 1.98 -2.85 -0.66 -2.93 119.74 115.38 1rkr s LYS 126 Ca 0.10 -0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 54.42 1rkr s LYS 126 Cb -0.11 0.28 -0.06 0.00 -2.06 0.00 0.00 37.83 35.88 1rkr s LYS 126 CO 0.02 -0.18 0.97 -1.17 0.10 0.00 0.00 175.35 175.08 1rkr s LEU 127 N -1.56 4.51 0.18 2.77 2.96 -1.26 -0.24 118.68 126.05 1rkr s LEU 127 Ca -0.11 1.82 0.04 0.00 -0.22 0.00 0.00 54.13 55.66 1rkr s LEU 127 Cb -0.05 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1rkr s LEU 127 CO 0.01 -0.06 -0.05 0.54 -1.32 0.00 0.00 176.35 175.47 1rkr s VAL 128 N -0.08 1.06 0.00 1.68 0.11 0.31 -4.87 120.40 118.60 1rkr s VAL 128 Ca 0.47 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 1rkr s VAL 128 Cb -0.24 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1rkr s VAL 128 CO 0.30 -0.54 0.00 0.47 -3.33 0.00 0.00 175.10 172.00