#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 2.72 -0.04 -5.12 0.00 -1.26 -5.10 121.76 112.96 2kym s ALA -1 Ca 0.00 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 49.78 2kym s ALA -1 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2kym s ALA -1 CO 0.00 0.25 1.49 -1.25 0.00 0.00 0.00 175.76 176.25 2kym s PRO 1 N -3.53 4.23 0.09 0.00 0.04 -1.26 -5.02 135.00 129.55 2kym s PRO 1 Ca 0.30 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.46 2kym s PRO 1 Cb -0.04 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 2kym s PRO 1 CO 0.15 -0.71 -0.27 -0.48 0.04 0.00 0.00 177.00 175.73 2kym s LEU 2 N 3.20 2.24 0.02 -3.56 2.34 -1.26 -4.82 118.68 116.84 2kym s LEU 2 Ca 0.66 -0.67 0.07 0.00 0.06 0.00 0.00 54.13 54.25 2kym s LEU 2 Cb -0.31 -1.24 -0.02 0.00 -0.56 0.00 0.00 46.19 44.05 2kym s LEU 2 CO 0.26 0.22 -0.21 -0.36 -1.06 0.00 0.00 176.35 175.20 2kym s PHE 3 N -0.93 1.82 0.15 3.48 0.40 -1.21 -3.22 117.98 118.47 2kym s PHE 3 Ca 0.13 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 56.20 2kym s PHE 3 Cb -0.10 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 2kym s PHE 3 CO 0.04 0.05 -0.25 0.00 0.70 0.00 0.00 175.22 175.76 2kym s ALA 4 N -0.69 2.35 -0.16 5.36 0.00 -0.29 -1.87 121.76 126.46 2kym s ALA 4 Ca 0.08 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.54 2kym s ALA 4 Cb -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2kym s ALA 4 CO 0.01 0.46 -0.21 0.54 0.00 0.00 0.00 175.76 176.56 2kym s VAL 5 N -1.37 2.04 0.50 0.00 0.11 -0.46 -0.81 120.40 120.41 2kym s VAL 5 Ca 0.16 -0.95 -0.24 0.00 -2.93 0.00 0.00 61.98 58.03 2kym s VAL 5 Cb -0.09 -1.83 -0.07 0.00 -1.53 0.00 0.00 36.38 32.87 2kym s VAL 5 CO 0.07 0.54 1.40 0.42 -3.33 0.00 0.00 175.10 174.21 2kym s THR 6 N 1.09 2.03 -0.10 5.04 -4.23 -0.67 -0.54 115.64 118.26 2kym s THR 6 Ca -0.00 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 2kym s THR 6 Cb -0.14 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 2kym s THR 6 CO -0.08 0.00 0.10 0.18 -0.54 0.00 0.00 174.62 174.28 2kym n LEU 7 N -0.62 0.10 -4.25 4.79 4.77 -1.23 -0.09 117.00 120.46 2kym n LEU 7 Ca 0.08 -0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 55.53 2kym n LEU 7 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2kym n LEU 7 CO 0.56 0.02 -0.33 -0.31 -1.33 0.00 0.00 177.39 176.01 2kym s TYR 8 N -1.46 1.24 -0.54 -1.77 1.51 -1.26 -4.64 117.35 110.44 2kym s TYR 8 Ca 0.01 -1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 54.82 2kym s TYR 8 Cb 0.02 -0.71 0.05 0.00 -0.11 0.00 0.00 41.96 41.21 2kym s TYR 8 CO 0.11 -0.21 0.80 -2.00 -1.11 0.00 0.00 175.55 173.14 2kym s GLU 9 N -3.92 3.23 -0.19 -0.62 2.56 -1.26 -3.36 118.70 115.14 2kym s GLU 9 Ca 0.25 -0.58 -0.23 0.00 0.00 0.00 0.00 54.97 54.41 2kym s GLU 9 Cb 0.06 -4.08 -0.02 0.00 2.00 0.00 0.00 34.13 32.09 2kym s GLU 9 CO 0.05 -1.39 0.71 0.12 -0.56 0.00 0.00 175.26 174.19 2kym s PHE 10 N 3.36 3.39 -0.62 5.30 5.36 0.16 -4.95 117.98 129.98 2kym s PHE 10 Ca 0.23 1.05 -0.15 0.00 -0.96 0.00 0.00 56.93 57.11 2kym s PHE 10 Cb -0.16 -2.88 0.16 0.00 -0.34 0.00 0.00 43.02 39.79 2kym s PHE 10 CO 0.15 -0.20 0.56 0.15 -1.46 0.00 0.00 175.22 174.43 2kym s LYS 11 N 2.02 3.12 0.87 10.12 3.01 -1.26 -2.24 119.74 135.36 2kym s LYS 11 Ca 0.32 -1.95 -0.14 0.00 -1.01 0.00 0.00 55.97 53.19 2kym s LYS 11 Cb -0.16 -4.29 0.02 0.00 -1.01 0.00 0.00 37.83 32.39 2kym s LYS 11 CO 0.11 -1.30 0.55 0.00 0.51 0.00 0.00 175.35 175.22 2kym n ALA 12 N 4.81 -1.94 -0.02 5.17 0.00 -1.26 -4.96 120.51 122.31 2kym n ALA 12 Ca -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 52.90 2kym n ALA 12 Cb 0.42 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 2kym n ALA 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kym n GLU 13 N -1.67 3.19 -3.69 0.00 0.28 -1.26 -4.97 120.64 112.51 2kym n GLU 13 Ca 0.09 -0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.92 2kym n GLU 13 Cb 0.52 -1.10 -0.06 0.00 1.43 0.00 0.00 31.44 32.24 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 -2.17 0.45 -0.32 3.44 5.12 -1.26 -5.03 116.66 116.89 2kym n ARG 14 Ca -0.06 -2.49 -0.04 0.00 -1.93 0.00 0.00 57.85 53.33 2kym n ARG 14 Cb 0.62 1.76 0.08 0.00 -1.16 0.00 0.00 32.46 33.76 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 1.38 1.02 -1.00 0.55 3.32 -2.05 -2.31 116.42 117.33 2kym h ASP 15 Ca -0.20 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.88 2kym h ASP 15 Cb 0.89 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 40.11 2kym h ASP 15 CO 0.30 0.76 0.64 -2.24 -1.72 0.00 0.00 179.24 176.98 2kym h ASP 16 N 1.18 1.02 -3.84 6.45 3.04 -1.96 -3.41 116.42 118.89 2kym h ASP 16 Ca 0.31 0.01 -0.48 0.00 -3.24 0.00 0.00 57.03 53.64 2kym h ASP 16 Cb -0.10 -0.20 -0.02 0.00 -1.04 0.00 0.00 39.33 37.97 2kym h ASP 16 CO -0.06 0.63 0.35 -1.61 -2.04 0.00 0.00 179.24 176.51 2kym s GLU 17 N -6.01 4.66 -0.12 4.15 2.02 -0.87 -3.52 118.70 119.01 2kym s GLU 17 Ca -0.12 1.39 0.03 0.00 0.02 0.00 0.00 54.97 56.28 2kym s GLU 17 Cb 0.20 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2kym s GLU 17 CO 0.81 0.34 -0.23 -1.17 0.02 0.00 0.00 175.26 175.04 2kym s LEU 18 N -1.79 2.11 0.28 1.80 2.96 -1.26 -4.66 118.68 118.12 2kym s LEU 18 Ca 0.47 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 2kym s LEU 18 Cb -0.21 -1.43 -0.10 0.00 0.50 0.00 0.00 46.19 44.95 2kym s LEU 18 CO 0.26 0.12 1.14 -1.81 -1.32 0.00 0.00 176.35 174.75 2kym s ASP 19 N 0.55 7.17 0.01 3.68 1.11 -1.26 -4.56 116.67 123.38 2kym s ASP 19 Ca -0.14 2.34 -0.11 0.00 0.18 0.00 0.00 52.55 54.83 2kym s ASP 19 Cb -0.17 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.20 2kym s ASP 19 CO 0.04 -0.22 0.22 0.54 1.18 0.00 0.00 175.17 176.93 2kym s VAL 20 N -1.11 0.08 0.26 -1.27 0.11 -0.95 -4.99 120.40 112.53 2kym s VAL 20 Ca 0.46 -0.69 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2kym s VAL 20 Cb -0.33 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2kym s VAL 20 CO 0.43 -0.38 0.07 -0.44 -3.33 0.00 0.00 175.10 171.45 2kym s SER 21 N -1.63 4.92 -0.09 3.54 0.01 -1.26 -0.66 113.70 118.53 2kym s SER 21 Ca -0.11 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 2kym s SER 21 Cb -0.04 -1.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 2kym s SER 21 CO 0.00 -0.01 1.52 -2.16 0.41 0.00 0.00 173.24 173.00 2kym s PRO 22 N -3.73 4.20 0.00 12.44 0.04 -1.21 -2.81 135.00 143.93 2kym s PRO 22 Ca 0.32 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2kym s PRO 22 Cb -0.07 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2kym s PRO 22 CO 0.22 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2kym n GLY 23 N 3.95 0.91 3.88 0.56 0.00 0.86 -4.92 105.19 110.42 2kym n GLY 23 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 3.77 -0.01 1.61 0.41 -1.12 -4.89 118.70 117.92 2kym s GLU 24 Ca 0.00 0.20 -0.14 0.00 -0.41 0.00 0.00 54.97 54.62 2kym s GLU 24 Cb 0.00 -2.72 -0.06 0.00 -1.78 0.00 0.00 34.13 29.57 2kym s GLU 24 CO 0.00 0.37 0.39 -0.80 -0.49 0.00 0.00 175.26 174.73 2kym s ASN 25 N -2.31 6.78 0.00 -0.19 -0.87 -1.26 -1.67 114.94 115.42 2kym s ASN 25 Ca 0.45 0.93 -0.02 0.00 -1.57 0.00 0.00 52.86 52.65 2kym s ASN 25 Cb -0.12 -2.24 -0.01 0.00 -0.02 0.00 0.00 41.25 38.87 2kym s ASN 25 CO 0.22 0.33 0.03 -0.76 -2.57 0.00 0.00 177.10 174.34 2kym s LEU 26 N -1.05 1.96 -0.36 0.60 1.02 0.01 -3.41 118.68 117.44 2kym s LEU 26 Ca 0.23 -0.19 -0.14 0.00 0.02 0.00 0.00 54.13 54.05 2kym s LEU 26 Cb -0.16 0.20 -0.01 0.00 0.02 0.00 0.00 46.19 46.25 2kym s LEU 26 CO 0.13 -0.18 0.29 -0.55 0.02 0.00 0.00 176.35 176.06 2kym s SER 27 N -0.77 6.11 0.46 2.29 0.15 -0.35 -1.14 113.70 120.44 2kym s SER 27 Ca -0.08 -0.49 -0.21 0.00 0.70 0.00 0.00 55.95 55.87 2kym s SER 27 Cb -0.05 -2.16 -0.10 0.00 -1.71 0.00 0.00 66.02 62.00 2kym s SER 27 CO -0.00 -0.33 1.00 -0.63 1.20 0.00 0.00 173.24 174.48 2kym s ILE 28 N 1.81 4.05 0.00 6.45 1.01 -1.20 -1.09 121.20 132.23 2kym s ILE 28 Ca 0.08 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2kym s ILE 28 Cb -0.17 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2kym s ILE 28 CO 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 174.94 174.79 2kym s ALA 30 N -1.82 -1.55 0.44 0.00 0.00 -1.25 -4.52 121.76 113.06 2kym s ALA 30 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2kym s ALA 30 Cb 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2kym s ALA 30 CO 0.00 -1.05 0.05 -3.38 0.00 0.00 0.00 175.76 171.38 2kym s HIS 31 N -2.85 1.94 -0.30 0.00 -0.00 -0.94 -0.76 115.29 112.38 2kym s HIS 31 Ca 0.16 -1.03 -0.03 0.00 -0.00 0.00 0.00 55.06 54.16 2kym s HIS 31 Cb -0.02 -1.45 0.10 0.00 -0.00 0.00 0.00 32.58 31.21 2kym s HIS 31 CO 0.04 0.06 0.13 -0.47 -0.00 0.00 0.00 174.74 174.50 2kym s TYR 32 N -3.01 0.72 -1.52 0.38 5.04 -0.07 -1.45 117.35 117.44 2kym s TYR 32 Ca 0.19 -1.15 0.00 0.00 -2.44 0.00 0.00 57.07 53.67 2kym s TYR 32 Cb 0.04 -1.13 0.00 0.00 0.35 0.00 0.00 41.96 41.22 2kym s TYR 32 CO 0.10 -0.84 0.00 -3.47 -1.34 0.00 0.00 175.55 170.00 2kym n ASP 33 N 5.09 -4.45 -0.73 4.32 2.03 -1.26 -0.02 116.55 121.52 2kym n ASP 33 Ca -0.04 0.25 -0.10 0.00 0.52 0.00 0.00 54.79 55.43 2kym n ASP 33 Cb 0.42 -3.89 -0.04 0.00 -0.72 0.00 0.00 41.12 36.89 2kym n ASP 33 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kym n TYR 34 N -2.83 0.00 -0.11 -0.67 4.02 -1.26 -4.82 117.16 111.48 2kym n TYR 34 Ca -0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.48 2kym n TYR 34 Cb 0.58 -2.33 -0.08 0.00 -0.02 0.00 0.00 39.34 37.49 2kym n TYR 34 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2kym n GLU 35 N -1.35 0.49 -4.17 -0.72 -0.58 0.97 -4.90 120.64 110.38 2kym n GLU 35 Ca -0.10 0.21 -0.23 0.00 -0.42 0.00 0.00 57.16 56.63 2kym n GLU 35 Cb 0.48 -1.32 -0.06 0.00 -0.57 0.00 0.00 31.44 29.97 2kym n GLU 35 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kym s TRP 36 N -2.45 2.74 0.02 -0.32 0.52 -1.00 -2.69 118.94 115.77 2kym s TRP 36 Ca -0.32 -0.30 0.02 0.00 0.02 0.00 0.00 56.10 55.52 2kym s TRP 36 Cb 0.12 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 2kym s TRP 36 CO 0.40 0.45 -0.07 -0.06 0.02 0.00 0.00 176.95 177.70 2kym s PHE 37 N -2.36 0.60 -0.63 -1.98 0.08 0.11 -0.89 117.98 112.91 2kym s PHE 37 Ca 0.35 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 2kym s PHE 37 Cb -0.04 -0.37 0.16 0.00 -0.57 0.00 0.00 43.02 42.20 2kym s PHE 37 CO 0.22 -0.05 0.53 0.42 -0.10 0.00 0.00 175.22 176.24 2kym s ILE 38 N -0.91 4.79 0.04 0.64 -1.09 0.06 -1.36 121.20 123.38 2kym s ILE 38 Ca -0.05 -2.14 0.07 0.00 -2.23 0.00 0.00 60.65 56.30 2kym s ILE 38 Cb -0.07 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 2kym s ILE 38 CO 0.00 -0.89 -0.19 0.00 -1.23 0.00 0.00 174.94 172.63 2kym s ALA 39 N 0.79 2.57 0.23 9.38 0.00 -1.26 -0.02 121.76 133.45 2kym s ALA 39 Ca 0.11 -1.20 0.10 0.00 0.00 0.00 0.00 51.96 50.97 2kym s ALA 39 Cb -0.21 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2kym s ALA 39 CO -0.03 0.57 -0.11 -1.59 0.00 0.00 0.00 175.76 174.60 2kym s LYS 40 N -1.42 1.96 0.14 0.00 -2.85 -0.25 -3.27 119.74 114.04 2kym s LYS 40 Ca 0.14 -1.47 -0.31 0.00 -1.00 0.00 0.00 55.97 53.33 2kym s LYS 40 Cb -0.10 -2.02 -0.08 0.00 -2.06 0.00 0.00 37.83 33.57 2kym s LYS 40 CO 0.05 0.38 1.35 -1.25 0.10 0.00 0.00 175.35 175.98 2kym s PRO 41 N -3.23 4.35 -0.17 1.78 0.04 -1.26 -1.21 135.00 135.30 2kym s PRO 41 Ca 0.28 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2kym s PRO 41 Cb -0.07 -3.24 -0.22 0.00 0.04 0.00 0.00 34.50 31.01 2kym s PRO 41 CO 0.16 -0.36 0.25 -0.89 0.04 0.00 0.00 177.00 176.20 2kym n ILE 42 N 3.49 1.67 0.00 0.56 5.41 -1.22 -4.59 119.36 124.68 2kym n ILE 42 Ca 0.09 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.44 2kym n ILE 42 Cb 0.43 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 2kym n ILE 42 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2kym n ASN 43 N -3.86 0.00 -4.62 4.38 5.15 -1.26 -4.80 115.26 110.24 2kym n ASN 43 Ca -0.34 0.81 -0.23 0.00 -0.60 0.00 0.00 54.58 54.22 2kym n ASN 43 Cb 0.90 -0.31 0.12 0.00 -0.53 0.00 0.00 39.78 39.96 2kym n ASN 43 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2kym n ARG 43 N -1.69 -0.05 0.00 1.20 1.85 -1.26 -5.09 116.66 111.62 2kym n ARG 43 Ca 0.00 -2.80 0.00 0.00 -1.00 0.00 0.00 57.85 54.05 2kym n ARG 43 Cb 0.00 -0.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 2kym n ARG 43 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2kym n LEU 44 N 0.00 1.08 0.00 2.89 4.32 -1.26 -4.74 117.00 119.28 2kym n LEU 44 Ca 0.17 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 2kym n LEU 44 Cb 0.60 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2kym n LEU 44 CO 0.40 -0.26 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 2kym n GLY 45 N 2.17 1.31 3.60 -0.72 0.00 -1.26 -4.69 105.19 105.60 2kym n GLY 45 Ca 0.00 0.52 0.01 0.00 0.00 0.00 0.00 46.02 46.55 2kym n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kym s GLY 46 N 0.00 -0.36 0.14 -0.02 0.00 -1.26 -5.13 107.32 100.70 2kym s GLY 46 Ca 0.00 1.44 -0.31 0.00 0.00 0.00 0.00 44.72 45.85 2kym s GLY 46 CO 0.00 0.40 1.34 2.56 0.00 0.00 0.00 173.10 177.40 2kym s PRO 47 N -2.00 4.36 0.00 2.90 0.04 -1.26 -4.45 135.00 134.58 2kym s PRO 47 Ca 0.14 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2kym s PRO 47 Cb 0.04 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2kym s PRO 47 CO -0.05 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2kym n GLY 48 N 3.02 5.95 2.98 0.56 0.00 -1.20 -4.97 105.19 111.53 2kym n GLY 48 Ca 0.09 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 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 1.53 -0.03 0.99 1.98 -1.23 -4.18 118.68 117.75 2kym s LEU 49 Ca 0.00 -0.25 -0.01 0.00 -2.89 0.00 0.00 54.13 50.98 2kym s LEU 49 Cb 0.00 -0.72 0.03 0.00 0.66 0.00 0.00 46.19 46.15 2kym s LEU 49 CO 0.00 0.00 0.06 0.54 -1.89 0.00 0.00 176.35 175.06 2kym s VAL 50 N 0.79 -0.05 0.91 1.68 0.11 -0.46 -4.27 120.40 119.11 2kym s VAL 50 Ca -0.13 0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 58.97 2kym s VAL 50 Cb -0.15 -0.12 0.13 0.00 -1.53 0.00 0.00 36.38 34.71 2kym s VAL 50 CO 0.02 0.07 1.09 -2.16 -3.33 0.00 0.00 175.10 170.79 2kym s PRO 51 N 0.89 1.17 0.47 1.54 0.04 -1.26 0.05 135.00 137.90 2kym s PRO 51 Ca -0.07 0.79 0.27 0.00 0.04 0.00 0.00 61.00 62.03 2kym s PRO 51 Cb -0.10 -1.80 0.87 0.00 0.04 0.00 0.00 34.50 33.51 2kym s PRO 51 CO -0.03 -2.29 1.80 0.28 0.04 0.00 0.00 177.00 176.79 2kym h VAL 52 N -1.59 0.19 -0.01 -0.36 2.07 -1.82 -2.76 116.25 111.97 2kym h VAL 52 Ca -0.50 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2kym h VAL 52 Cb 1.29 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2kym h VAL 52 CO 0.55 0.09 0.00 -1.20 0.02 0.00 0.00 177.57 177.02 2kym n SER 53 N -3.17 0.21 -0.47 0.57 7.64 -1.26 -3.15 113.62 113.98 2kym n SER 53 Ca 0.02 -1.23 0.05 0.00 1.01 0.00 0.00 58.87 58.71 2kym n SER 53 Cb 0.43 -0.01 0.09 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.76 0.00 -3.73 1.43 4.02 -1.04 -4.87 117.16 112.22 2kym n TYR 54 Ca 0.19 -0.67 -0.14 0.00 -0.01 0.00 0.00 57.90 57.27 2kym n TYR 54 Cb 0.12 -0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.60 0.03 -0.28 -0.72 -7.23 -1.19 -3.57 120.40 105.85 2kym s VAL 55 Ca 0.22 -0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 60.13 2kym s VAL 55 Cb 0.21 -0.64 0.04 0.00 0.56 0.00 0.00 36.38 36.56 2kym s VAL 55 CO -0.02 -0.14 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.99 2kym s ARG 56 N -0.76 2.53 -0.08 4.82 3.52 0.30 -4.85 118.95 124.44 2kym s ARG 56 Ca -0.08 -1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 54.04 2kym s ARG 56 Cb -0.04 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.22 2kym s ARG 56 CO 0.04 -0.54 1.73 0.42 -0.81 0.00 0.00 175.30 176.13 2kym s ILE 57 N 1.25 3.49 0.18 4.11 -1.09 -1.26 -1.36 121.20 126.52 2kym s ILE 57 Ca -0.04 0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 2kym s ILE 57 Cb -0.19 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 2kym s ILE 57 CO -0.03 -0.09 0.04 0.27 -1.23 0.00 0.00 174.94 173.90 2kym s ILE 58 N 4.55 0.50 -0.18 2.92 -4.36 -0.78 -4.27 121.20 119.58 2kym s ILE 58 Ca 0.77 -1.97 -0.04 0.00 -0.26 0.00 0.00 60.65 59.15 2kym s ILE 58 Cb -0.33 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 2kym s ILE 58 CO 0.32 -0.36 -0.03 -0.62 0.24 0.00 0.00 174.94 174.49 2kym s ASP 59 N -3.17 4.75 0.53 4.36 2.15 -1.22 -3.33 116.67 120.75 2kym s ASP 59 Ca 0.27 -0.18 0.24 0.00 0.43 0.00 0.00 52.55 53.32 2kym s ASP 59 Cb 0.07 -1.79 1.40 0.00 -0.30 0.00 0.00 42.92 42.30 2kym s ASP 59 CO 0.06 0.12 2.02 -0.07 -0.17 0.00 0.00 175.17 177.12 2kym h LEU 60 N 7.09 0.00 0.00 -1.34 3.38 -1.88 0.38 115.31 122.94 2kym h LEU 60 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2kym h LEU 60 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2kym h LEU 60 CO 0.62 0.00 -0.67 0.24 0.09 0.00 0.00 178.44 178.71 2kym h MET 61 N 0.00 0.00 -0.93 1.13 2.86 -1.96 -3.42 114.93 112.61 2kym h MET 61 Ca 0.21 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.73 2kym h MET 61 Cb 0.85 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.34 2kym h MET 61 CO -0.00 0.01 -0.45 0.34 1.06 0.00 0.00 176.91 177.87 2kym s ASP 62 N -5.67 -1.36 0.00 1.22 -1.08 0.82 -4.99 116.67 105.61 2kym s ASP 62 Ca 0.02 -1.43 0.14 0.00 -0.52 0.00 0.00 52.55 50.77 2kym s ASP 62 Cb 0.08 1.78 0.65 0.00 -1.46 0.00 0.00 42.92 43.97 2kym s ASP 62 CO 0.75 -0.07 1.44 -0.81 0.52 0.00 0.00 175.17 177.00 2kym n PRO 63 N 3.21 0.07 -0.01 4.34 -0.04 0.97 -1.95 135.00 141.60 2kym n PRO 63 Ca 0.16 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 2kym n PRO 63 Cb 0.57 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.43 2.53 -0.04 0.55 0.00 -1.26 -3.13 120.51 117.74 2kym n ALA 64 Ca 0.05 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.75 2kym n ALA 64 Cb 0.15 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 2kym n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kym h LYS 65 N 3.24 0.12 -0.33 0.00 1.57 -1.76 -3.37 116.57 116.04 2kym h LYS 65 Ca 0.00 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 2kym h LYS 65 Cb 0.69 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 2kym h LYS 65 CO 0.00 1.10 0.01 0.66 -0.57 0.00 0.00 179.45 180.65 2kym n TYR 66 N -4.27 1.11 0.22 -1.35 4.02 -1.26 -4.53 117.16 111.10 2kym n TYR 66 Ca -0.21 -1.17 0.12 0.00 -0.01 0.00 0.00 57.90 56.63 2kym n TYR 66 Cb 0.72 -0.41 0.25 0.00 -0.02 0.00 0.00 39.34 39.87 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 1.51 0.96 -0.00 -0.72 0.00 -1.71 -3.18 119.26 116.12 2kym h ALA 67 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kym h ALA 67 Cb 1.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2kym h ALA 67 CO 0.33 0.09 -0.65 -1.13 0.00 0.00 0.00 179.25 177.89 2kym n SER 68 N -3.13 1.05 -4.41 0.00 3.41 -1.26 -5.01 113.62 104.27 2kym n SER 68 Ca 0.03 -1.03 -0.34 0.00 -0.26 0.00 0.00 58.87 57.27 2kym n SER 68 Cb 0.52 0.84 0.10 0.00 -0.26 0.00 0.00 64.21 65.41 2kym n SER 68 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2kym n VAL 69 N -1.00 0.62 -3.46 -3.33 3.14 -1.20 -4.92 118.33 108.18 2kym n VAL 69 Ca 0.04 -0.28 -0.42 0.00 -2.96 0.00 0.00 64.34 60.73 2kym n VAL 69 Cb 0.29 -0.63 -0.03 0.00 -1.06 0.00 0.00 33.84 32.41 2kym n VAL 69 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2kym s ASP 70 N -1.78 6.69 0.22 6.55 1.01 -1.26 -4.90 116.67 123.21 2kym s ASP 70 Ca 0.59 -3.45 -0.08 0.00 0.71 0.00 0.00 52.55 50.32 2kym s ASP 70 Cb -0.26 -2.09 0.32 0.00 1.01 0.00 0.00 42.92 41.90 2kym s ASP 70 CO 0.65 -0.30 1.76 0.71 0.21 0.00 0.00 175.17 178.20 2kym h THR 71 N 4.07 0.81 -0.94 -1.27 1.35 -1.88 -1.22 112.91 113.83 2kym h THR 71 Ca 0.15 -0.18 0.10 0.00 -0.55 0.00 0.00 66.41 65.93 2kym h THR 71 Cb 0.89 0.24 -0.08 0.00 -1.73 0.00 0.00 68.15 67.47 2kym h THR 71 CO 0.90 0.10 0.58 0.22 -0.25 0.00 0.00 175.52 177.07 2kym h TYR 72 N 0.52 1.05 -2.24 4.73 3.20 -1.91 -3.40 116.97 118.93 2kym h TYR 72 Ca 0.34 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 61.67 2kym h TYR 72 Cb 0.38 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2kym h TYR 72 CO -0.13 0.44 1.41 -0.51 -1.64 0.00 0.00 178.16 177.73 2kym s ASP 73 N -5.69 5.52 0.55 -2.11 1.11 -0.46 -4.82 116.67 110.76 2kym s ASP 73 Ca -0.12 1.48 0.30 0.00 0.18 0.00 0.00 52.55 54.38 2kym s ASP 73 Cb 0.21 -2.52 1.46 0.00 1.07 0.00 0.00 42.92 43.14 2kym s ASP 73 CO 0.80 -1.97 1.91 0.08 1.18 0.00 0.00 175.17 177.17 2kym h ARG 74 N 14.59 0.00 0.43 8.23 -0.00 -1.83 -0.98 114.38 134.82 2kym h ARG 74 Ca -0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.60 2kym h ARG 74 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2kym h ARG 74 CO 1.02 0.00 -0.20 0.93 -0.00 0.00 0.00 179.97 181.72 2kym h GLU 75 N 0.00 -0.55 0.44 0.08 5.08 -1.90 -1.31 114.58 116.43 2kym h GLU 75 Ca 0.35 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 2kym h GLU 75 Cb 1.48 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 2kym h GLU 75 CO -0.00 -0.24 -0.25 1.96 -1.00 0.00 0.00 179.01 179.48 2kym h GLN 76 N -0.92 -0.62 -0.69 2.33 4.20 -1.53 -1.65 115.11 116.23 2kym h GLN 76 Ca -0.06 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.85 2kym h GLN 76 Cb 0.56 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 2kym h GLN 76 CO 0.10 -0.41 0.47 -0.24 -0.67 0.00 0.00 178.83 178.07 2kym h VAL 77 N -0.65 0.76 0.39 -0.54 3.04 -1.32 -1.38 116.25 116.56 2kym h VAL 77 Ca -0.05 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 2kym h VAL 77 Cb 0.52 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 2kym h VAL 77 CO 0.07 0.05 -0.19 0.24 -1.01 0.00 0.00 177.57 176.73 2kym h MET 78 N 0.26 -0.50 -0.89 4.17 2.86 -0.67 -1.45 114.93 118.72 2kym h MET 78 Ca 0.34 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 58.14 2kym h MET 78 Cb 0.94 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.65 2kym h MET 78 CO -0.08 -0.19 0.57 0.87 1.06 0.00 0.00 176.91 179.15 2kym h LYS 79 N -0.89 0.73 0.36 1.72 1.57 -0.71 0.24 116.57 119.58 2kym h LYS 79 Ca -0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2kym h LYS 79 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2kym h LYS 79 CO 0.09 0.48 -0.17 0.82 -0.57 0.00 0.00 179.45 180.10 2kym h ILE 80 N 0.75 0.61 -0.66 1.86 2.04 -1.23 0.22 117.51 121.10 2kym h ILE 80 Ca 0.44 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2kym h ILE 80 Cb 0.62 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2kym h ILE 80 CO -0.20 0.09 0.41 0.40 0.00 0.00 0.00 178.15 178.85 2kym h ILE 81 N -0.79 1.18 -0.10 -0.67 2.04 -0.78 0.19 117.51 118.57 2kym h ILE 81 Ca -0.05 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 2kym h ILE 81 Cb 0.52 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2kym h ILE 81 CO 0.08 0.19 -0.17 -0.78 0.00 0.00 0.00 178.15 177.47 2kym h ASP 82 N 0.90 0.33 -0.21 1.72 3.58 -0.50 -0.40 116.42 121.84 2kym h ASP 82 Ca 0.24 -0.54 -0.02 0.00 0.42 0.00 0.00 57.03 57.13 2kym h ASP 82 Cb -0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2kym h ASP 82 CO -0.05 0.80 0.06 -0.33 -2.88 0.00 0.00 179.24 176.84 2kym h GLU 83 N -0.14 0.34 0.00 0.28 4.39 -0.26 -2.38 114.58 116.81 2kym h GLU 83 Ca 0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2kym h GLU 83 Cb 0.73 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2kym h GLU 83 CO 0.04 0.45 0.00 1.19 -1.16 0.00 0.00 179.01 179.53 2kym n PHE 84 N -4.77 0.51 -3.44 4.33 3.01 0.63 -4.91 117.46 112.83 2kym n PHE 84 Ca -0.04 0.19 -0.18 0.00 1.01 0.00 0.00 57.45 58.43 2kym n PHE 84 Cb 0.17 -0.80 0.07 0.00 -0.01 0.00 0.00 39.48 38.91 2kym n PHE 84 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2kym n LYS 85 N -1.95 -4.96 -2.92 -1.08 4.01 -0.31 -4.03 118.16 106.92 2kym n LYS 85 Ca 0.03 0.80 -0.40 0.00 -0.51 0.00 0.00 58.31 58.23 2kym n LYS 85 Cb 0.25 -5.67 -0.05 0.00 -0.51 0.00 0.00 35.03 29.05 2kym n LYS 85 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2kym s ILE 86 N -3.42 4.78 0.87 -0.18 1.01 -0.34 -4.59 121.20 119.33 2kym s ILE 86 Ca 0.14 1.72 -0.11 0.00 0.00 0.00 0.00 60.65 62.40 2kym s ILE 86 Cb -0.02 -4.16 0.11 0.00 0.01 0.00 0.00 42.46 38.40 2kym s ILE 86 CO 0.75 0.30 1.09 -2.16 0.00 0.00 0.00 174.94 174.93 2kym s PRO 87 N 0.29 1.50 0.44 2.79 0.04 -1.26 -4.83 135.00 133.97 2kym s PRO 87 Ca 0.42 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.42 2kym s PRO 87 Cb -0.20 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2kym s PRO 87 CO 0.24 -2.10 0.61 0.99 0.04 0.00 0.00 177.00 176.78 2kym s THR 88 N -2.93 3.10 0.13 1.26 2.01 -1.26 -2.21 115.64 115.74 2kym s THR 88 Ca 0.63 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2kym s THR 88 Cb -0.18 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 2kym s THR 88 CO 0.57 -0.03 1.59 0.58 -0.69 0.00 0.00 174.62 176.64 2kym h VAL 89 N 0.54 0.20 -0.24 3.82 2.07 -1.57 0.22 116.25 121.28 2kym h VAL 89 Ca -0.41 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2kym h VAL 89 Cb 1.28 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 2kym h VAL 89 CO 0.48 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.55 2kym h GLU 90 N -0.51 -0.18 -0.78 1.57 5.08 -1.96 0.24 114.58 118.04 2kym h GLU 90 Ca 0.06 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2kym h GLU 90 Cb 0.62 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2kym h GLU 90 CO -0.33 -0.12 0.46 1.96 -1.00 0.00 0.00 179.01 179.99 2kym h GLN 91 N -0.18 0.82 -0.43 2.33 1.08 -1.83 -0.30 115.11 116.60 2kym h GLN 91 Ca 0.14 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 2kym h GLN 91 Cb 0.39 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2kym h GLN 91 CO -0.35 0.54 -0.09 2.35 -0.95 0.00 0.00 178.83 180.34 2kym h TRP 92 N 0.85 0.82 -0.24 2.96 7.01 0.47 -1.24 115.95 126.58 2kym h TRP 92 Ca 0.35 -0.14 -0.11 0.00 2.11 0.00 0.00 58.89 61.09 2kym h TRP 92 Cb 0.19 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 2kym h TRP 92 CO -0.05 0.81 -0.33 0.87 -2.79 0.00 0.00 178.44 176.95 2kym h LYS 93 N 0.69 0.50 -0.01 2.65 1.79 0.40 -1.12 116.57 121.47 2kym h LYS 93 Ca 0.12 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2kym h LYS 93 Cb 0.55 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2kym h LYS 93 CO 0.03 0.77 -0.03 0.22 -1.08 0.00 0.00 179.45 179.36 2kym h ASP 94 N 0.43 0.05 -0.90 0.86 1.82 -0.81 -0.56 116.42 117.31 2kym h ASP 94 Ca 0.05 -0.61 -0.02 0.00 -0.39 0.00 0.00 57.03 56.07 2kym h ASP 94 Cb 0.79 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.74 2kym h ASP 94 CO 0.06 0.65 0.50 0.06 -1.61 0.00 0.00 179.24 178.90 2kym h GLN 95 N -0.54 1.26 -0.19 0.28 3.07 -1.23 -1.13 115.11 116.64 2kym h GLN 95 Ca -0.00 -0.15 -0.10 0.00 0.09 0.00 0.00 58.65 58.50 2kym h GLN 95 Cb 0.64 -0.25 -0.00 0.00 0.08 0.00 0.00 27.48 27.95 2kym h GLN 95 CO 0.01 0.92 -0.26 1.79 0.09 0.00 0.00 178.83 181.38 2kym h THR 96 N 1.27 1.34 -0.55 1.86 1.35 -1.25 0.66 112.91 117.59 2kym h THR 96 Ca 0.32 -1.46 0.02 0.00 -0.55 0.00 0.00 66.41 64.73 2kym h THR 96 Cb 0.02 1.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.26 2kym h THR 96 CO -0.05 0.44 0.35 0.03 -0.25 0.00 0.00 175.52 176.04 2kym h ARG 97 N 0.16 0.67 -0.04 4.72 2.47 -0.88 0.11 114.38 121.59 2kym h ARG 97 Ca 0.02 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.51 2kym h ARG 97 Cb 0.83 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 2kym h ARG 97 CO 0.06 0.45 -0.78 0.07 0.56 0.00 0.00 179.97 180.33 2kym h ARG 98 N 0.69 0.32 0.00 0.04 0.11 -1.22 -1.35 114.38 112.97 2kym h ARG 98 Ca 0.22 -0.29 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 2kym h ARG 98 Cb -0.02 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2kym h ARG 98 CO -0.08 0.95 -0.44 -0.92 0.10 0.00 0.00 179.97 179.58 2kym h TYR 99 N 0.21 0.00 0.00 4.08 3.20 -0.41 -2.78 116.97 121.27 2kym h TYR 99 Ca -0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2kym h TYR 99 Cb 1.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2kym h TYR 99 CO 0.04 0.44 -0.95 1.63 -1.64 0.00 0.00 178.16 177.68 2kym n LYS 100 N -3.96 0.45 -0.30 1.82 5.02 0.33 -4.94 118.16 116.59 2kym n LYS 100 Ca -0.02 0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 2kym n LYS 100 Cb 0.47 -1.73 0.25 0.00 -0.02 0.00 0.00 35.03 34.01 2kym n LYS 100 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2kym n GLU 101 N -2.35 -4.20 -1.35 1.97 -0.58 -0.51 -5.02 120.64 108.60 2kym n GLU 101 Ca 0.01 -1.25 -0.19 0.00 -0.42 0.00 0.00 57.16 55.31 2kym n GLU 101 Cb 0.50 -1.79 0.13 0.00 -0.57 0.00 0.00 31.44 29.70 2kym n GLU 101 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2kym n SER 102 N -4.55 0.17 -3.24 1.62 7.64 -1.26 -4.40 113.62 109.60 2kym n SER 102 Ca 0.12 -1.38 -0.23 0.00 1.01 0.00 0.00 58.87 58.39 2kym n SER 102 Cb 0.52 -0.65 0.05 0.00 -1.01 0.00 0.00 64.21 63.12 2kym n SER 102 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kym n SER 103 N -3.49 -6.21 -4.56 6.43 7.64 -1.26 -4.99 113.62 107.18 2kym n SER 103 Ca 0.11 -0.38 -0.30 0.00 1.01 0.00 0.00 58.87 59.30 2kym n SER 103 Cb 0.39 -4.97 -0.10 0.00 -1.01 0.00 0.00 64.21 58.51 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 -3.23 3.28 -0.29 0.44 -1.09 -1.26 -5.12 121.20 113.93 2kym s ILE 104 Ca 0.41 -1.21 -0.16 0.00 -2.23 0.00 0.00 60.65 57.46 2kym s ILE 104 Cb -0.18 -2.50 0.14 0.00 -1.58 0.00 0.00 42.46 38.34 2kym s ILE 104 CO 0.51 0.18 0.96 0.00 -1.23 0.00 0.00 174.94 175.36 2kym s GLN 105 N -1.99 0.39 0.08 2.79 -2.07 -1.26 -5.18 119.66 112.42 2kym s GLN 105 Ca 0.20 0.68 0.04 0.00 -1.82 0.00 0.00 55.36 54.46 2kym s GLN 105 Cb -0.11 0.09 -0.03 0.00 -1.09 0.00 0.00 33.01 31.87 2kym s GLN 105 CO 0.11 -0.08 -0.12 0.42 -1.32 0.00 0.00 175.29 174.30 2kym s ILE 106 N 1.40 0.97 -1.09 3.63 1.09 -1.26 -5.04 121.20 120.89 2kym s ILE 106 Ca -0.09 -1.37 -0.09 0.00 -1.10 0.00 0.00 60.65 58.00 2kym s ILE 106 Cb -0.04 -1.08 -0.14 0.00 -1.06 0.00 0.00 42.46 40.14 2kym s ILE 106 CO -0.15 -0.35 3.16 0.61 -0.10 0.00 0.00 174.94 178.11 2kym n GLY 107 N 1.09 3.88 3.39 6.18 0.00 -1.26 -4.87 105.19 113.60 2kym n GLY 107 Ca -0.20 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 2kym n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kym s ASN 108 N 2.04 3.31 -1.13 1.61 4.22 -1.26 -5.05 114.94 118.67 2kym s ASN 108 Ca 0.68 -0.75 -0.04 0.00 -2.14 0.00 0.00 52.86 50.62 2kym s ASN 108 Cb 0.23 -0.22 0.18 0.00 1.28 0.00 0.00 41.25 42.72 2kym s ASN 108 CO -0.04 0.18 2.25 0.61 -2.04 0.00 0.00 177.10 178.05 2kym n GLY 109 N 0.91 5.42 3.64 0.45 0.00 -1.26 -4.87 105.19 109.48 2kym n GLY 109 Ca -0.18 -2.21 -0.05 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.25 -0.19 0.00 1.61 5.65 -1.26 -5.18 115.29 113.66 2kym s HIS 110 Ca 0.50 0.47 0.00 0.00 0.25 0.00 0.00 55.06 56.28 2kym s HIS 110 Cb 0.22 0.44 0.00 0.00 -1.18 0.00 0.00 32.58 32.06 2kym s HIS 110 CO -0.13 -0.10 0.00 0.41 -0.65 0.00 0.00 174.74 174.27 2kym n GLY 111 N 1.74 2.85 3.60 1.59 0.00 -1.26 -5.09 105.19 108.61 2kym n GLY 111 Ca -0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.30 0.56 0.49 1.61 -2.07 -1.26 -5.18 119.66 112.51 2kym s GLN 112 Ca 0.00 0.31 0.07 0.00 -1.82 0.00 0.00 55.36 53.91 2kym s GLN 112 Cb 0.00 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.20 2kym s GLN 112 CO 0.00 -0.14 0.39 -1.54 -1.32 0.00 0.00 175.29 172.68 2kym s SER 113 N -0.61 4.76 0.36 12.60 1.04 -1.26 -5.15 113.70 125.43 2kym s SER 113 Ca 0.00 -1.05 -0.00 0.00 0.48 0.00 0.00 55.95 55.38 2kym s SER 113 Cb -0.02 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2kym s SER 113 CO -0.01 -0.91 0.46 -1.10 0.98 0.00 0.00 173.24 172.66 2kym s GLN 114 N -4.21 1.95 -0.30 4.02 -1.52 -1.26 -5.17 119.66 113.17 2kym s GLN 114 Ca 0.41 -1.84 -0.17 0.00 -1.95 0.00 0.00 55.36 51.80 2kym s GLN 114 Cb -0.02 0.43 0.18 0.00 -0.22 0.00 0.00 33.01 33.39 2kym s GLN 114 CO 0.24 -0.80 1.16 0.20 -0.25 0.00 0.00 175.29 175.85 2kym s GLY 115 N -3.28 0.15 0.04 3.09 0.00 -1.26 -5.09 107.32 100.96 2kym s GLY 115 Ca 0.32 3.44 0.00 0.00 0.00 0.00 0.00 44.72 48.49 2kym s GLY 115 CO 0.23 3.20 0.00 1.04 0.00 0.00 0.00 173.10 177.57 2kym n LEU 116 N 4.45 0.14 -0.25 0.66 4.32 -1.26 -5.39 117.00 119.67 2kym n LEU 116 Ca -0.09 0.06 0.15 0.00 -0.02 0.00 0.00 56.01 56.10 2kym n LEU 116 Cb 0.55 -0.01 0.73 0.00 -1.62 0.00 0.00 43.42 43.06 2kym n LEU 116 CO -0.03 -0.56 0.99 1.21 -1.22 0.00 0.00 177.39 177.78