#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kym s ALA -1 N 0.00 -0.47 -1.12 3.17 0.00 -1.26 -5.06 121.76 117.02 2kym s ALA -1 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 2kym s ALA -1 Cb 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 23.12 23.57 2kym s ALA -1 CO 0.00 -0.55 1.93 -0.35 0.00 0.00 0.00 175.76 176.79 2kym n PRO 1 N -0.09 1.58 -3.40 0.00 -0.04 -1.26 -4.93 135.00 126.85 2kym n PRO 1 Ca -0.15 -2.37 -0.35 0.00 -0.04 0.00 0.00 63.50 60.59 2kym n PRO 1 Cb 0.63 -3.60 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 2kym n PRO 1 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2kym s LEU 2 N 9.47 4.32 0.02 1.53 0.05 -1.26 -4.84 118.68 127.97 2kym s LEU 2 Ca 0.67 1.01 0.07 0.00 0.05 0.00 0.00 54.13 55.94 2kym s LEU 2 Cb 0.02 -3.26 -0.02 0.00 -2.05 0.00 0.00 46.19 40.88 2kym s LEU 2 CO 0.14 0.10 -0.22 -0.36 -0.55 0.00 0.00 176.35 175.45 2kym s PHE 3 N -1.49 1.96 0.12 3.48 0.40 -1.23 -3.21 117.98 118.01 2kym s PHE 3 Ca 0.38 -0.38 0.10 0.00 -0.60 0.00 0.00 56.93 56.43 2kym s PHE 3 Cb -0.14 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 2kym s PHE 3 CO 0.19 0.05 -0.23 0.00 0.70 0.00 0.00 175.22 175.93 2kym s ALA 4 N -0.69 2.09 -0.13 5.36 0.00 -0.29 -1.67 121.76 126.44 2kym s ALA 4 Ca 0.09 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.69 2kym s ALA 4 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2kym s ALA 4 CO 0.01 0.43 -0.16 0.54 0.00 0.00 0.00 175.76 176.58 2kym s VAL 5 N -1.19 2.72 0.17 0.00 0.11 -0.36 -0.99 120.40 120.86 2kym s VAL 5 Ca 0.11 -0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 58.07 2kym s VAL 5 Cb -0.10 -2.12 -0.09 0.00 -1.53 0.00 0.00 36.38 32.55 2kym s VAL 5 CO 0.05 0.53 1.38 0.42 -3.33 0.00 0.00 175.10 174.15 2kym s THR 6 N 0.44 3.12 -0.29 5.04 -4.23 -1.01 -0.82 115.64 117.88 2kym s THR 6 Ca -0.12 0.87 0.19 0.00 -1.18 0.00 0.00 61.69 61.45 2kym s THR 6 Cb -0.16 -3.55 -0.26 0.00 1.34 0.00 0.00 72.50 69.86 2kym s THR 6 CO 0.05 0.10 0.53 0.18 -0.54 0.00 0.00 174.62 174.95 2kym n LEU 7 N 3.19 0.28 -4.18 4.79 4.77 0.64 -0.08 117.00 126.42 2kym n LEU 7 Ca 0.09 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 2kym n LEU 7 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2kym n LEU 7 CO 0.59 0.07 -0.35 -0.31 -1.33 0.00 0.00 177.39 176.05 2kym s TYR 8 N -3.13 0.94 -0.37 -1.77 1.51 -1.22 -4.62 117.35 108.70 2kym s TYR 8 Ca -0.03 -1.00 -0.24 0.00 -1.01 0.00 0.00 57.07 54.80 2kym s TYR 8 Cb 0.13 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.44 2kym s TYR 8 CO 0.78 -0.24 0.81 -2.00 -1.11 0.00 0.00 175.55 173.78 2kym s GLU 9 N -3.89 3.76 -0.20 -0.62 2.56 -1.26 -3.55 118.70 115.49 2kym s GLU 9 Ca 0.16 0.34 -0.10 0.00 0.00 0.00 0.00 54.97 55.38 2kym s GLU 9 Cb 0.06 -3.81 -0.05 0.00 2.00 0.00 0.00 34.13 32.33 2kym s GLU 9 CO -0.02 -0.87 0.13 0.12 -0.56 0.00 0.00 175.26 174.05 2kym s PHE 10 N 3.17 3.40 -0.39 5.30 5.36 0.94 -4.96 117.98 130.80 2kym s PHE 10 Ca 0.32 0.32 -0.11 0.00 -0.96 0.00 0.00 56.93 56.50 2kym s PHE 10 Cb -0.13 -2.15 0.03 0.00 -0.34 0.00 0.00 43.02 40.43 2kym s PHE 10 CO 0.17 0.29 0.23 0.15 -1.46 0.00 0.00 175.22 174.60 2kym s LYS 11 N 0.35 2.81 0.87 10.12 1.02 -1.26 -1.80 119.74 131.84 2kym s LYS 11 Ca 0.08 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 54.83 2kym s LYS 11 Cb -0.11 -3.77 0.12 0.00 -0.52 0.00 0.00 37.83 33.54 2kym s LYS 11 CO -0.02 -0.75 1.14 0.00 -0.92 0.00 0.00 175.35 174.80 2kym s ALA 12 N 1.55 1.71 -0.03 5.17 0.00 -1.26 -4.97 121.76 123.94 2kym s ALA 12 Ca 0.02 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.55 2kym s ALA 12 Cb -0.20 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2kym s ALA 12 CO 0.06 -2.46 0.02 -0.85 0.00 0.00 0.00 175.76 172.54 2kym n GLU 13 N -3.96 2.91 -2.98 0.00 0.28 -1.26 -4.97 120.64 110.67 2kym n GLU 13 Ca 0.11 -0.01 -0.09 0.00 -0.16 0.00 0.00 57.16 57.02 2kym n GLU 13 Cb 0.52 -1.09 -0.03 0.00 1.43 0.00 0.00 31.44 32.27 2kym n GLU 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kym n ARG 14 N -2.05 0.21 -0.22 3.44 5.12 -1.26 -5.03 116.66 116.88 2kym n ARG 14 Ca -0.05 -1.51 -0.06 0.00 -1.93 0.00 0.00 57.85 54.30 2kym n ARG 14 Cb 0.53 1.27 0.08 0.00 -1.16 0.00 0.00 32.46 33.18 2kym n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2kym h ASP 15 N 0.95 1.00 0.26 0.55 3.32 -1.99 -1.99 116.42 118.52 2kym h ASP 15 Ca -0.11 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2kym h ASP 15 Cb 0.56 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2kym h ASP 15 CO 0.16 0.98 0.00 -2.24 -1.72 0.00 0.00 179.24 176.42 2kym h ASP 16 N 0.99 0.00 -3.64 6.45 3.04 -1.97 -3.42 116.42 117.88 2kym h ASP 16 Ca 0.20 0.00 -0.68 0.00 -3.24 0.00 0.00 57.03 53.31 2kym h ASP 16 Cb 0.39 0.00 -0.19 0.00 -1.04 0.00 0.00 39.33 38.50 2kym h ASP 16 CO 0.01 0.00 -0.69 -0.70 -2.04 0.00 0.00 179.24 175.82 2kym s GLU 17 N -3.85 2.76 0.17 4.15 2.56 -0.75 -2.09 118.70 121.65 2kym s GLU 17 Ca -0.02 -0.54 0.09 0.00 0.00 0.00 0.00 54.97 54.49 2kym s GLU 17 Cb 0.10 -2.60 -0.04 0.00 2.00 0.00 0.00 34.13 33.59 2kym s GLU 17 CO 0.39 0.67 -0.11 -1.17 -0.56 0.00 0.00 175.26 174.48 2kym s LEU 18 N -0.83 2.94 -0.21 2.70 2.96 -1.26 -4.50 118.68 120.49 2kym s LEU 18 Ca 0.13 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.34 2kym s LEU 18 Cb -0.11 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2kym s LEU 18 CO 0.02 0.11 0.24 -0.62 -1.32 0.00 0.00 176.35 174.78 2kym s ASP 19 N -2.73 6.27 0.21 3.68 -1.08 -1.26 -4.00 116.67 117.76 2kym s ASP 19 Ca 0.24 0.31 0.08 0.00 -0.52 0.00 0.00 52.55 52.66 2kym s ASP 19 Cb -0.09 -2.15 -0.05 0.00 -1.46 0.00 0.00 42.92 39.17 2kym s ASP 19 CO 0.15 0.05 -0.16 0.68 0.52 0.00 0.00 175.17 176.41 2kym s VAL 20 N 0.91 1.84 0.22 1.11 -7.23 -0.74 -4.96 120.40 111.55 2kym s VAL 20 Ca 0.12 -2.19 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 2kym s VAL 20 Cb -0.13 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2kym s VAL 20 CO 0.04 -0.53 -0.17 -0.44 -0.31 0.00 0.00 175.10 173.69 2kym s SER 21 N -3.24 2.91 -0.13 4.85 0.01 -1.26 -0.04 113.70 116.79 2kym s SER 21 Ca 0.22 -1.00 -0.29 0.00 1.31 0.00 0.00 55.95 56.19 2kym s SER 21 Cb -0.02 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2kym s SER 21 CO 0.08 -0.08 1.55 -2.16 0.41 0.00 0.00 173.24 173.03 2kym s PRO 22 N -3.47 4.08 0.00 12.44 0.04 -1.23 -2.65 135.00 144.20 2kym s PRO 22 Ca 0.24 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2kym s PRO 22 Cb -0.03 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2kym s PRO 22 CO 0.09 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2kym n GLY 23 N 4.16 0.72 3.87 0.56 0.00 0.89 -4.95 105.19 110.45 2kym n GLY 23 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2kym n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kym s GLU 24 N -0.55 3.82 -0.38 1.61 8.01 -1.08 -4.92 118.70 125.20 2kym s GLU 24 Ca 0.00 0.35 -0.17 0.00 0.01 0.00 0.00 54.97 55.17 2kym s GLU 24 Cb 0.00 -2.56 0.01 0.00 -4.31 0.00 0.00 34.13 27.26 2kym s GLU 24 CO 0.00 0.21 0.41 -0.80 0.01 0.00 0.00 175.26 175.10 2kym s ASN 25 N -2.57 6.20 -0.03 -0.19 -0.87 -1.26 -2.42 114.94 113.80 2kym s ASN 25 Ca 0.49 -0.43 0.03 0.00 -1.57 0.00 0.00 52.86 51.38 2kym s ASN 25 Cb -0.11 -2.22 -0.03 0.00 -0.02 0.00 0.00 41.25 38.88 2kym s ASN 25 CO 0.23 -0.47 -0.10 -0.76 -2.57 0.00 0.00 177.10 173.43 2kym s LEU 26 N 2.11 2.99 -0.39 0.60 2.01 -0.16 -3.53 118.68 122.31 2kym s LEU 26 Ca 0.13 -0.16 -0.17 0.00 0.01 0.00 0.00 54.13 53.94 2kym s LEU 26 Cb -0.17 -1.68 0.01 0.00 0.01 0.00 0.00 46.19 44.36 2kym s LEU 26 CO 0.13 0.32 0.45 -0.55 1.01 0.00 0.00 176.35 177.71 2kym s SER 27 N -1.07 6.23 0.45 2.29 0.15 -0.58 -1.14 113.70 120.03 2kym s SER 27 Ca 0.14 -0.39 -0.24 0.00 0.70 0.00 0.00 55.95 56.16 2kym s SER 27 Cb -0.11 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 61.89 2kym s SER 27 CO 0.04 -0.51 1.24 -0.63 1.20 0.00 0.00 173.24 174.58 2kym s ILE 28 N 2.23 2.77 0.00 6.45 -1.09 -1.20 -1.34 121.20 129.02 2kym s ILE 28 Ca 0.14 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 2kym s ILE 28 Cb -0.16 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2kym s ILE 28 CO 0.14 0.03 0.00 0.00 -1.23 0.00 0.00 174.94 173.88 2kym s ALA 30 N -1.90 -1.99 0.51 0.00 0.00 -1.24 -4.63 121.76 112.50 2kym s ALA 30 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2kym s ALA 30 Cb 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 2kym s ALA 30 CO 0.00 -1.01 0.02 -3.38 0.00 0.00 0.00 175.76 171.39 2kym s HIS 31 N -2.78 1.86 -0.25 0.00 -3.43 -0.72 -0.01 115.29 109.95 2kym s HIS 31 Ca 0.13 -0.95 -0.02 0.00 -0.80 0.00 0.00 55.06 53.42 2kym s HIS 31 Cb 0.02 -1.63 0.13 0.00 -1.43 0.00 0.00 32.58 29.67 2kym s HIS 31 CO -0.02 0.20 0.32 -0.47 -2.00 0.00 0.00 174.74 172.77 2kym s TYR 32 N -2.87 -0.61 -1.75 0.38 5.04 -0.13 -1.51 117.35 115.90 2kym s TYR 32 Ca 0.07 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 2kym s TYR 32 Cb 0.01 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.08 2kym s TYR 32 CO 0.04 -0.79 0.00 -0.25 -1.34 0.00 0.00 175.55 173.21 2kym n ASP 33 N 5.34 -4.71 -1.78 4.32 9.92 -1.26 -0.86 116.55 127.51 2kym n ASP 33 Ca -0.03 0.34 -0.19 0.00 -0.53 0.00 0.00 54.79 54.38 2kym n ASP 33 Cb 0.49 -4.16 -0.06 0.00 -0.64 0.00 0.00 41.12 36.75 2kym n ASP 33 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2kym n TYR 34 N -2.55 -0.39 -0.02 1.24 4.02 -1.26 -4.76 117.16 113.43 2kym n TYR 34 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2kym n TYR 34 Cb 0.59 -3.35 0.00 0.00 -0.02 0.00 0.00 39.34 36.57 2kym n TYR 34 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2kym n GLU 35 N -2.44 3.20 -3.67 -0.72 0.28 -0.04 -4.91 120.64 112.33 2kym n GLU 35 Ca -0.20 -0.21 -0.11 0.00 -0.16 0.00 0.00 57.16 56.48 2kym n GLU 35 Cb 0.63 -0.70 -0.05 0.00 1.43 0.00 0.00 31.44 32.75 2kym n GLU 35 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2kym s TRP 36 N -0.52 -0.16 0.02 -1.84 0.52 -1.04 -4.16 118.94 111.76 2kym s TRP 36 Ca 0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 56.10 55.99 2kym s TRP 36 Cb 0.00 0.20 -0.02 0.00 -1.15 0.00 0.00 33.47 32.51 2kym s TRP 36 CO 0.00 -0.65 0.02 -0.06 0.02 0.00 0.00 176.95 176.29 2kym s PHE 37 N -3.51 0.23 -0.59 -1.98 0.08 0.10 -0.96 117.98 111.36 2kym s PHE 37 Ca 0.01 -0.50 -0.06 0.00 0.12 0.00 0.00 56.93 56.51 2kym s PHE 37 Cb 0.02 -0.17 0.15 0.00 -0.57 0.00 0.00 43.02 42.45 2kym s PHE 37 CO -0.10 -0.25 0.43 0.42 -0.10 0.00 0.00 175.22 175.62 2kym s ILE 38 N -1.85 4.04 0.02 0.64 -1.09 0.98 -1.25 121.20 122.69 2kym s ILE 38 Ca -0.12 -2.49 0.02 0.00 -2.23 0.00 0.00 60.65 55.83 2kym s ILE 38 Cb -0.06 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 2kym s ILE 38 CO -0.02 -0.85 0.02 0.00 -1.23 0.00 0.00 174.94 172.86 2kym s ALA 39 N 0.47 3.35 0.21 9.38 0.00 -1.26 0.00 121.76 133.92 2kym s ALA 39 Ca 0.13 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.23 2kym s ALA 39 Cb -0.20 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2kym s ALA 39 CO -0.04 0.67 -0.18 0.15 0.00 0.00 0.00 175.76 176.36 2kym s LYS 40 N -1.76 1.74 -0.02 0.00 1.02 -0.45 -3.97 119.74 116.30 2kym s LYS 40 Ca 0.22 -1.49 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 2kym s LYS 40 Cb -0.12 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 2kym s LYS 40 CO 0.13 0.40 1.46 -1.25 -0.92 0.00 0.00 175.35 175.17 2kym s PRO 41 N -2.91 4.25 -0.05 -1.68 0.04 -1.26 -1.53 135.00 131.85 2kym s PRO 41 Ca 0.24 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 2kym s PRO 41 Cb -0.08 -3.67 -0.27 0.00 0.04 0.00 0.00 34.50 30.53 2kym s PRO 41 CO 0.13 -0.66 0.95 0.82 0.04 0.00 0.00 177.00 178.28 2kym h ILE 42 N 5.08 1.55 0.00 0.56 2.04 -1.95 -3.39 117.51 121.41 2kym h ILE 42 Ca -0.37 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.23 2kym h ILE 42 Cb 1.17 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 2kym h ILE 42 CO 0.92 0.63 0.00 0.59 0.00 0.00 0.00 178.15 180.29 2kym n ASN 43 N -4.33 0.00 -2.88 1.72 4.13 -1.26 -4.85 115.26 107.79 2kym n ASN 43 Ca -0.11 0.96 -0.09 0.00 1.68 0.00 0.00 54.58 57.02 2kym n ASN 43 Cb 0.65 -0.48 0.05 0.00 -1.54 0.00 0.00 39.78 38.46 2kym n ASN 43 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2kym n ARG 43 N -1.93 0.20 0.00 3.52 0.00 -1.26 -5.10 116.66 112.09 2kym n ARG 43 Ca 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 57.85 56.91 2kym n ARG 43 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 32.46 32.17 2kym n ARG 43 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2kym n LEU 44 N 0.00 0.00 0.00 2.89 -0.00 -1.26 -4.63 117.00 113.99 2kym n LEU 44 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2kym n LEU 44 Cb 0.21 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2kym n LEU 44 CO 0.15 -0.26 0.00 0.61 -0.00 0.00 0.00 177.39 177.88 2kym n GLY 45 N 2.54 0.30 0.00 1.47 0.00 -1.26 -4.60 105.19 103.64 2kym n GLY 45 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2kym n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kym n GLY 46 N 0.00 0.76 3.77 -0.02 0.00 -1.26 -5.15 105.19 103.29 2kym n GLY 46 Ca 0.00 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 2kym n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kym s PRO 47 N -2.00 4.36 0.00 1.61 0.04 -1.26 -4.72 135.00 133.03 2kym s PRO 47 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2kym s PRO 47 Cb 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2kym s PRO 47 CO 0.00 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2kym n GLY 48 N 0.87 5.32 2.78 0.56 0.00 -1.25 -4.78 105.19 108.69 2kym n GLY 48 Ca 0.01 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 2kym n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kym s LEU 49 N 0.00 0.81 -0.03 0.99 1.98 -0.89 -4.55 118.68 116.98 2kym s LEU 49 Ca 0.00 -0.04 0.01 0.00 -2.89 0.00 0.00 54.13 51.22 2kym s LEU 49 Cb 0.00 -0.30 0.02 0.00 0.66 0.00 0.00 46.19 46.56 2kym s LEU 49 CO 0.00 -0.15 -0.05 0.54 -1.89 0.00 0.00 176.35 174.79 2kym s VAL 50 N 1.53 0.56 0.74 1.68 0.11 -0.38 -4.16 120.40 120.47 2kym s VAL 50 Ca -0.02 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 2kym s VAL 50 Cb -0.13 -0.55 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2kym s VAL 50 CO -0.03 0.21 1.10 -2.16 -3.33 0.00 0.00 175.10 170.89 2kym s PRO 51 N 0.63 2.44 0.46 1.54 0.04 -1.26 0.01 135.00 138.85 2kym s PRO 51 Ca -0.09 1.24 0.25 0.00 0.04 0.00 0.00 61.00 62.45 2kym s PRO 51 Cb -0.12 -1.91 0.67 0.00 0.04 0.00 0.00 34.50 33.18 2kym s PRO 51 CO 0.00 -1.51 1.73 0.28 0.04 0.00 0.00 177.00 177.53 2kym h VAL 52 N -0.75 0.14 0.00 -0.36 2.07 -1.87 -2.85 116.25 112.63 2kym h VAL 52 Ca -0.45 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2kym h VAL 52 Cb 1.24 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2kym h VAL 52 CO 0.52 0.07 0.00 -1.20 0.02 0.00 0.00 177.57 176.98 2kym n SER 53 N -3.14 0.00 -0.00 0.57 7.64 -1.25 -3.33 113.62 114.10 2kym n SER 53 Ca 0.02 -1.08 -0.00 0.00 1.01 0.00 0.00 58.87 58.82 2kym n SER 53 Cb 0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 2kym n SER 53 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2kym n TYR 54 N -0.95 0.00 -4.12 1.43 4.02 -1.11 -4.91 117.16 111.51 2kym n TYR 54 Ca 0.21 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.79 2kym n TYR 54 Cb 0.10 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.29 2kym n TYR 54 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2kym s VAL 55 N -2.05 4.42 -0.27 -0.72 -7.23 -1.09 -0.26 120.40 113.20 2kym s VAL 55 Ca -0.01 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2kym s VAL 55 Cb 0.01 -3.07 0.05 0.00 0.56 0.00 0.00 36.38 33.93 2kym s VAL 55 CO 0.05 0.23 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.40 2kym s ARG 56 N -2.06 2.40 -0.27 4.82 3.52 -0.00 -4.71 118.95 122.64 2kym s ARG 56 Ca 0.25 -1.26 -0.29 0.00 -0.13 0.00 0.00 55.73 54.30 2kym s ARG 56 Cb -0.12 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 2kym s ARG 56 CO 0.17 -0.56 1.71 0.42 -0.81 0.00 0.00 175.30 176.23 2kym s ILE 57 N 1.18 3.58 0.32 4.11 1.09 -1.26 -1.22 121.20 128.99 2kym s ILE 57 Ca -0.06 0.62 0.06 0.00 -1.10 0.00 0.00 60.65 60.17 2kym s ILE 57 Cb -0.19 -3.67 -0.06 0.00 -1.06 0.00 0.00 42.46 37.47 2kym s ILE 57 CO -0.04 -0.36 -0.01 0.27 -0.10 0.00 0.00 174.94 174.70 2kym s ILE 58 N 6.01 1.60 -0.22 2.92 -4.36 -0.67 -4.72 121.20 121.76 2kym s ILE 58 Ca 0.76 -2.07 -0.09 0.00 -0.26 0.00 0.00 60.65 58.99 2kym s ILE 58 Cb -0.24 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 2kym s ILE 58 CO 0.32 -0.16 0.11 -1.81 0.24 0.00 0.00 174.94 173.64 2kym s ASP 59 N -3.51 5.76 0.60 4.36 1.11 -1.25 -3.48 116.67 120.26 2kym s ASP 59 Ca 0.33 0.03 0.30 0.00 0.18 0.00 0.00 52.55 53.39 2kym s ASP 59 Cb 0.06 -2.02 1.69 0.00 1.07 0.00 0.00 42.92 43.72 2kym s ASP 59 CO 0.14 0.08 2.08 -0.07 1.18 0.00 0.00 175.17 178.58 2kym h LEU 60 N 7.43 0.00 0.00 1.23 3.38 -1.88 0.32 115.31 125.79 2kym h LEU 60 Ca -0.37 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.31 2kym h LEU 60 Cb 1.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2kym h LEU 60 CO 0.65 0.00 -1.67 0.24 0.09 0.00 0.00 178.44 177.75 2kym h MET 61 N 0.00 0.00 -1.67 1.13 2.86 -1.97 -3.42 114.93 111.86 2kym h MET 61 Ca 0.08 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.26 2kym h MET 61 Cb 0.54 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 31.88 2kym h MET 61 CO -0.00 0.51 -0.88 -0.40 1.06 0.00 0.00 176.91 177.19 2kym n ASP 62 N -3.05 -1.04 0.00 1.22 5.75 0.06 -4.96 116.55 114.53 2kym n ASP 62 Ca -0.16 -2.71 0.07 0.00 -0.01 0.00 0.00 54.79 51.98 2kym n ASP 62 Cb 1.04 0.11 0.32 0.00 -1.03 0.00 0.00 41.12 41.57 2kym n ASP 62 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2kym n PRO 63 N 2.14 0.06 0.00 0.11 -0.04 0.91 -1.90 135.00 136.27 2kym n PRO 63 Ca 0.22 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 64.02 2kym n PRO 63 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 2kym n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kym n ALA 64 N -1.44 3.62 -0.08 0.55 0.00 -1.26 -3.23 120.51 118.66 2kym n ALA 64 Ca 0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.78 2kym n ALA 64 Cb 0.15 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 2kym n ALA 64 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kym h LYS 65 N 1.64 0.00 -0.02 0.00 3.64 -1.76 -3.36 116.57 116.72 2kym h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kym h LYS 65 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2kym h LYS 65 CO 0.00 0.80 -0.00 0.66 -2.27 0.00 0.00 179.45 178.64 2kym n TYR 66 N -4.57 0.00 0.28 1.91 4.02 -1.25 -4.02 117.16 113.53 2kym n TYR 66 Ca -0.16 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 57.91 2kym n TYR 66 Cb 0.47 -0.00 0.92 0.00 -0.02 0.00 0.00 39.34 40.71 2kym n TYR 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kym h ALA 67 N 4.37 1.00 0.00 -0.72 0.00 -1.70 -0.36 119.26 121.85 2kym h ALA 67 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2kym h ALA 67 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kym h ALA 67 CO 0.00 0.00 -0.35 0.66 0.00 0.00 0.00 179.25 179.56 2kym h SER 68 N 0.00 0.00 -3.06 0.00 4.64 -1.81 -3.43 113.55 109.88 2kym h SER 68 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2kym h SER 68 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2kym h SER 68 CO 0.00 0.35 0.78 -0.69 -0.87 0.00 0.00 176.83 176.39 2kym s VAL 69 N -3.26 4.50 -1.77 0.95 1.01 -0.15 -4.90 120.40 116.79 2kym s VAL 69 Ca 0.03 1.81 0.11 0.00 0.00 0.00 0.00 61.98 63.93 2kym s VAL 69 Cb 0.08 -4.17 0.35 0.00 0.00 0.00 0.00 36.38 32.65 2kym s VAL 69 CO 0.70 -0.11 1.26 0.47 0.00 0.00 0.00 175.10 177.42 2kym n ASP 70 N 6.01 2.29 -3.14 3.32 9.92 -1.26 -4.79 116.55 128.90 2kym n ASP 70 Ca 0.12 -2.08 -0.18 0.00 -0.53 0.00 0.00 54.79 52.12 2kym n ASP 70 Cb 0.46 -0.31 -0.01 0.00 -0.64 0.00 0.00 41.12 40.61 2kym n ASP 70 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2kym n THR 71 N 0.57 -0.51 -0.09 -3.53 -2.24 -1.26 -4.79 114.28 102.43 2kym n THR 71 Ca 0.13 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.75 2kym n THR 71 Cb 0.39 -1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 2kym n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kym n TYR 72 N -3.47 0.00 -1.83 4.78 9.36 -1.26 -3.94 117.16 120.81 2kym n TYR 72 Ca -0.01 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.78 2kym n TYR 72 Cb 0.53 -0.60 -0.03 0.00 -0.63 0.00 0.00 39.34 38.61 2kym n TYR 72 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2kym s ASP 73 N -6.48 6.15 0.55 2.98 -1.08 -1.26 -4.84 116.67 112.69 2kym s ASP 73 Ca -0.27 2.06 0.30 0.00 -0.52 0.00 0.00 52.55 54.12 2kym s ASP 73 Cb 0.08 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.47 2kym s ASP 73 CO 0.37 -1.38 1.91 0.08 0.52 0.00 0.00 175.17 176.67 2kym h ARG 74 N 11.85 0.00 -0.06 4.34 -0.00 -1.93 -0.33 114.38 128.25 2kym h ARG 74 Ca -0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.56 2kym h ARG 74 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2kym h ARG 74 CO 0.97 0.00 -0.00 0.93 -0.00 0.00 0.00 179.97 181.86 2kym h GLU 75 N 0.00 0.10 0.61 0.08 5.08 -1.99 -1.23 114.58 117.23 2kym h GLU 75 Ca 0.34 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2kym h GLU 75 Cb 1.45 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.69 2kym h GLU 75 CO -0.00 0.40 -0.29 1.96 -1.00 0.00 0.00 179.01 180.08 2kym h GLN 76 N -0.21 -0.79 -0.64 2.33 4.20 -1.47 -1.80 115.11 116.73 2kym h GLN 76 Ca 0.02 0.05 0.16 0.00 0.06 0.00 0.00 58.65 58.94 2kym h GLN 76 Cb 0.36 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2kym h GLN 76 CO 0.00 -0.48 0.45 -0.24 -0.67 0.00 0.00 178.83 177.89 2kym h VAL 77 N -0.96 0.75 0.25 -0.54 3.04 -1.44 -1.21 116.25 116.13 2kym h VAL 77 Ca -0.08 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 2kym h VAL 77 Cb 0.67 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2kym h VAL 77 CO 0.14 0.03 -0.12 0.24 -1.01 0.00 0.00 177.57 176.85 2kym h MET 78 N 0.17 -0.33 -0.69 4.17 2.86 -0.96 -1.41 114.93 118.74 2kym h MET 78 Ca 0.31 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.04 2kym h MET 78 Cb 0.99 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 2kym h MET 78 CO -0.05 0.01 0.45 0.87 1.06 0.00 0.00 176.91 179.26 2kym h LYS 79 N -0.74 0.68 0.03 1.72 1.57 -0.61 0.25 116.57 119.47 2kym h LYS 79 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2kym h LYS 79 Cb 0.49 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2kym h LYS 79 CO 0.06 0.45 -0.01 0.82 -0.57 0.00 0.00 179.45 180.19 2kym h ILE 80 N 0.70 1.25 -0.37 1.86 2.04 -1.20 0.15 117.51 121.93 2kym h ILE 80 Ca 0.30 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 2kym h ILE 80 Cb 0.27 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2kym h ILE 80 CO -0.10 0.22 -0.09 0.40 0.00 0.00 0.00 178.15 178.59 2kym h ILE 81 N -0.43 1.24 0.09 -0.67 2.04 -0.80 -0.72 117.51 118.26 2kym h ILE 81 Ca -0.00 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2kym h ILE 81 Cb 0.40 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2kym h ILE 81 CO 0.01 0.35 -0.04 -0.78 0.00 0.00 0.00 178.15 177.68 2kym h ASP 82 N 0.58 -0.10 0.18 1.72 3.58 -0.49 0.38 116.42 122.27 2kym h ASP 82 Ca 0.11 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kym h ASP 82 Cb 0.50 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2kym h ASP 82 CO 0.03 0.43 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.34 2kym h GLU 83 N -0.68 -0.33 0.00 0.28 4.39 -0.68 -1.51 114.58 116.05 2kym h GLU 83 Ca -0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2kym h GLU 83 Cb 0.54 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2kym h GLU 83 CO 0.02 -0.22 0.00 0.74 -1.16 0.00 0.00 179.01 178.39 2kym h PHE 84 N -0.34 0.00 -5.41 4.33 -1.00 -1.23 -3.47 116.94 109.82 2kym h PHE 84 Ca -0.01 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.50 2kym h PHE 84 Cb 0.31 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.04 2kym h PHE 84 CO -0.11 0.00 -0.78 1.63 -1.61 0.00 0.00 178.31 177.44 2kym n LYS 85 N -2.37 -4.24 -2.83 1.51 4.76 -0.35 -4.24 118.16 110.39 2kym n LYS 85 Ca 0.01 0.82 -0.41 0.00 -2.87 0.00 0.00 58.31 55.86 2kym n LYS 85 Cb 0.20 -5.67 -0.04 0.00 -1.84 0.00 0.00 35.03 27.68 2kym n LYS 85 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kym s ILE 86 N -3.36 4.84 0.84 -0.18 1.01 -0.02 -3.81 121.20 120.53 2kym s ILE 86 Ca 0.22 1.85 -0.11 0.00 0.00 0.00 0.00 60.65 62.61 2kym s ILE 86 Cb -0.03 -4.22 0.10 0.00 0.01 0.00 0.00 42.46 38.31 2kym s ILE 86 CO 0.70 0.23 1.09 -2.16 0.00 0.00 0.00 174.94 174.81 2kym s PRO 87 N 0.66 1.69 0.46 2.79 0.04 -1.26 -4.79 135.00 134.60 2kym s PRO 87 Ca 0.46 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.55 2kym s PRO 87 Cb -0.20 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2kym s PRO 87 CO 0.25 -1.98 0.63 0.99 0.04 0.00 0.00 177.00 176.93 2kym s THR 88 N -2.92 2.82 0.14 1.26 2.01 -1.26 -1.76 115.64 115.92 2kym s THR 88 Ca 0.62 -0.96 -0.24 0.00 0.31 0.00 0.00 61.69 61.42 2kym s THR 88 Cb -0.18 -2.86 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 2kym s THR 88 CO 0.57 0.00 1.62 0.58 -0.69 0.00 0.00 174.62 176.70 2kym h VAL 89 N 0.49 0.36 -0.30 3.82 2.07 -1.59 0.19 116.25 121.29 2kym h VAL 89 Ca -0.39 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.20 2kym h VAL 89 Cb 1.28 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 2kym h VAL 89 CO 0.45 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.52 2kym h GLU 90 N -0.33 -0.15 -0.63 1.57 5.08 -1.96 0.24 114.58 118.41 2kym h GLU 90 Ca 0.11 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2kym h GLU 90 Cb 0.49 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2kym h GLU 90 CO -0.35 -0.10 0.40 1.96 -1.00 0.00 0.00 179.01 179.93 2kym h GLN 91 N -0.16 0.78 -0.74 2.33 1.08 -1.81 -1.13 115.11 115.47 2kym h GLN 91 Ca 0.16 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2kym h GLN 91 Cb 0.40 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2kym h GLN 91 CO -0.39 0.52 0.32 2.35 -0.95 0.00 0.00 178.83 180.68 2kym h TRP 92 N 0.81 1.08 0.21 2.96 7.01 0.34 -0.82 115.95 127.54 2kym h TRP 92 Ca 0.25 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2kym h TRP 92 Cb -0.03 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.70 2kym h TRP 92 CO -0.04 0.80 -0.10 0.87 -2.79 0.00 0.00 178.44 177.18 2kym h LYS 93 N 1.06 -0.28 -0.83 2.65 1.79 0.05 -0.81 116.57 120.20 2kym h LYS 93 Ca 0.25 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.78 2kym h LYS 93 Cb 0.16 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 2kym h LYS 93 CO -0.03 -0.01 0.53 -0.44 -1.08 0.00 0.00 179.45 178.42 2kym h ASP 94 N -0.54 0.86 -0.29 0.86 3.32 -1.11 -0.06 116.42 119.46 2kym h ASP 94 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2kym h ASP 94 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2kym h ASP 94 CO 0.05 0.58 0.12 1.56 -1.72 0.00 0.00 179.24 179.83 2kym h GLN 95 N 1.01 0.43 -0.25 3.56 1.08 -1.08 -0.89 115.11 118.97 2kym h GLN 95 Ca 0.34 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.41 2kym h GLN 95 Cb 0.06 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2kym h GLN 95 CO -0.13 0.44 -0.09 1.79 -0.95 0.00 0.00 178.83 179.89 2kym h THR 96 N 0.32 1.20 0.31 -0.54 1.35 -0.70 -0.54 112.91 114.31 2kym h THR 96 Ca 0.10 -0.85 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 2kym h THR 96 Cb 0.17 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2kym h THR 96 CO -0.01 0.28 -0.15 0.03 -0.25 0.00 0.00 175.52 175.42 2kym h ARG 97 N 0.37 -0.40 -0.97 4.72 2.47 -0.70 -0.71 114.38 119.16 2kym h ARG 97 Ca 0.08 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 58.96 2kym h ARG 97 Cb 0.40 0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 28.72 2kym h ARG 97 CO 0.02 -0.27 0.61 0.07 0.56 0.00 0.00 179.97 180.97 2kym h ARG 98 N -0.72 0.82 0.21 0.04 -0.00 -1.20 0.29 114.38 113.82 2kym h ARG 98 Ca -0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.98 59.88 2kym h ARG 98 Cb 0.32 -0.19 0.00 0.00 -0.00 0.00 0.00 29.97 30.10 2kym h ARG 98 CO 0.07 0.54 -0.10 -0.92 -0.00 0.00 0.00 179.97 179.56 2kym h TYR 99 N 0.85 -0.26 0.00 4.08 3.20 -1.16 -2.84 116.97 120.84 2kym h TYR 99 Ca 0.50 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 2kym h TYR 99 Cb 0.65 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2kym h TYR 99 CO -0.00 0.04 -0.01 0.87 -1.64 0.00 0.00 178.16 177.41 2kym h LYS 100 N -0.56 0.00 -7.48 1.82 1.79 -0.50 -3.43 116.57 108.21 2kym h LYS 100 Ca -0.03 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.98 2kym h LYS 100 Cb 0.42 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.20 2kym h LYS 100 CO 0.05 0.01 0.27 -1.21 -1.08 0.00 0.00 179.45 177.49 2kym s GLU 101 N -4.60 1.01 0.66 3.15 0.41 0.03 -5.08 118.70 114.28 2kym s GLU 101 Ca -0.05 -0.87 0.05 0.00 -0.41 0.00 0.00 54.97 53.69 2kym s GLU 101 Cb 0.15 -2.09 0.12 0.00 -1.78 0.00 0.00 34.13 30.53 2kym s GLU 101 CO 0.55 -2.03 0.91 -1.12 -0.49 0.00 0.00 175.26 173.08 2kym s SER 102 N -4.86 4.66 0.03 -0.19 0.01 -1.26 -4.95 113.70 107.14 2kym s SER 102 Ca 0.72 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2kym s SER 102 Cb -0.03 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2kym s SER 102 CO 0.49 -1.66 0.01 -1.20 0.41 0.00 0.00 173.24 171.29 2kym n SER 103 N -2.57 1.63 -4.77 2.44 7.64 -1.26 -5.00 113.62 111.73 2kym n SER 103 Ca 0.16 -1.12 -0.35 0.00 1.01 0.00 0.00 58.87 58.57 2kym n SER 103 Cb 0.61 0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.83 2kym n SER 103 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kym s ILE 104 N -0.67 3.20 0.04 0.44 -1.09 -1.26 -5.02 121.20 116.84 2kym s ILE 104 Ca 0.01 0.72 -0.17 0.00 -2.23 0.00 0.00 60.65 58.98 2kym s ILE 104 Cb -0.00 -3.28 0.06 0.00 -1.58 0.00 0.00 42.46 37.66 2kym s ILE 104 CO 0.01 -0.18 0.77 0.00 -1.23 0.00 0.00 174.94 174.30 2kym n GLN 105 N -1.42 0.23 -3.19 2.79 10.64 -1.26 -5.11 117.38 120.06 2kym n GLN 105 Ca 0.11 -0.67 -0.45 0.00 -1.83 0.00 0.00 57.00 54.16 2kym n GLN 105 Cb 0.51 1.00 -0.04 0.00 -0.86 0.00 0.00 30.24 30.85 2kym n GLN 105 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2kym s ILE 106 N -2.13 5.04 0.00 -0.39 -1.09 -1.26 -4.94 121.20 116.43 2kym s ILE 106 Ca 0.18 -1.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 2kym s ILE 106 Cb -0.01 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 2kym s ILE 106 CO 0.01 -1.06 0.00 0.61 -1.23 0.00 0.00 174.94 173.28 2kym n GLY 107 N 5.12 1.41 3.63 6.18 0.00 -1.26 -5.14 105.19 115.13 2kym n GLY 107 Ca -0.06 0.46 -0.46 0.00 0.00 0.00 0.00 46.02 45.96 2kym n GLY 107 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kym n ASN 108 N 0.00 2.15 0.00 1.61 5.03 -1.26 -4.82 115.26 117.97 2kym n ASN 108 Ca 0.00 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.59 2kym n ASN 108 Cb 0.00 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 37.42 2kym n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kym n GLY 109 N 2.07 0.00 3.24 7.41 0.00 -1.26 -5.17 105.19 111.47 2kym n GLY 109 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2kym n GLY 109 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kym s HIS 110 N 0.00 0.47 0.00 1.61 5.04 -1.26 -5.18 115.29 115.97 2kym s HIS 110 Ca 0.00 -0.87 0.00 0.00 -1.54 0.00 0.00 55.06 52.65 2kym s HIS 110 Cb 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 32.58 32.43 2kym s HIS 110 CO 0.00 -0.60 0.00 0.41 -2.34 0.00 0.00 174.74 172.21 2kym n GLY 111 N -0.12 4.54 3.50 1.59 0.00 -1.26 -5.19 105.19 108.26 2kym n GLY 111 Ca -0.09 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 2kym n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kym s GLN 112 N 1.00 0.86 1.19 1.61 -2.07 -1.26 -5.17 119.66 115.81 2kym s GLN 112 Ca 0.00 0.52 -0.20 0.00 -1.82 0.00 0.00 55.36 53.86 2kym s GLN 112 Cb 0.00 0.41 0.29 0.00 -1.09 0.00 0.00 33.01 32.62 2kym s GLN 112 CO 0.00 -0.19 1.18 -1.54 -1.32 0.00 0.00 175.29 173.41 2kym s SER 113 N -0.44 1.08 -0.06 12.60 1.04 -1.26 -5.01 113.70 121.65 2kym s SER 113 Ca -0.06 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.62 2kym s SER 113 Cb -0.03 -0.49 -0.11 0.00 0.10 0.00 0.00 66.02 65.49 2kym s SER 113 CO 0.05 -4.00 0.62 -0.61 0.98 0.00 0.00 173.24 170.28 2kym h GLN 114 N -2.50 -0.26 0.00 4.02 5.75 -2.07 -3.50 115.11 116.54 2kym h GLN 114 Ca -0.43 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 2kym h GLN 114 Cb 1.26 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.87 2kym h GLN 114 CO 0.29 0.05 0.00 0.41 -2.65 0.00 0.00 178.83 176.93 2kym n GLY 115 N 0.83 0.60 2.79 2.39 0.00 -1.26 -5.04 105.19 105.50 2kym n GLY 115 Ca -0.06 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2kym n GLY 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kym n LEU 116 N 0.00 5.72 0.00 0.99 4.32 -1.26 -5.35 117.00 121.42 2kym n LEU 116 Ca 0.00 -5.53 0.00 0.00 -0.02 0.00 0.00 56.01 50.46 2kym n LEU 116 Cb 0.00 -0.85 0.00 0.00 -1.62 0.00 0.00 43.42 40.95 2kym n LEU 116 CO 0.00 2.18 0.00 1.21 -1.22 0.00 0.00 177.39 179.56