#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kyp h LYS 3 N 0.00 1.04 -0.02 4.33 3.64 -1.93 -3.06 116.57 120.58 1kyp h LYS 3 Ca 0.00 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1kyp h LYS 3 Cb 0.00 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1kyp h LYS 3 CO 0.00 0.69 -0.34 0.78 -2.27 0.00 0.00 179.45 178.31 1kyp h GLY 4 N 1.07 0.05 2.00 5.01 0.00 -1.71 -2.42 103.07 107.07 1kyp h GLY 4 Ca 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1kyp h GLY 4 CO -0.12 0.03 -0.10 1.05 0.00 0.00 0.00 176.54 177.40 1kyp h GLU 5 N 0.04 0.00 0.00 4.80 4.11 -1.66 -1.69 114.58 120.18 1kyp h GLU 5 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1kyp h GLU 5 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1kyp h GLU 5 CO 0.05 0.10 -0.04 0.93 0.07 0.00 0.00 179.01 180.12 1kyp h GLU 6 N 0.00 0.00 0.00 1.06 5.08 -1.57 -1.90 114.58 117.25 1kyp h GLU 6 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kyp h GLU 6 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1kyp h GLU 6 CO 0.01 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 1kyp n LEU 7 N -3.37 0.00 -0.22 1.33 4.77 -0.64 -3.69 117.00 115.18 1kyp n LEU 7 Ca -0.02 0.45 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 1kyp n LEU 7 Cb 0.16 -0.45 0.13 0.00 -2.33 0.00 0.00 43.42 40.92 1kyp n LEU 7 CO 0.25 -0.09 0.58 0.49 -1.33 0.00 0.00 177.39 177.29 1kyp n PHE 8 N -1.45 0.18 0.60 -1.77 3.01 -0.71 -4.68 117.46 112.64 1kyp n PHE 8 Ca 0.07 -0.82 0.13 0.00 1.01 0.00 0.00 57.45 57.83 1kyp n PHE 8 Cb 0.26 -0.14 0.44 0.00 -0.01 0.00 0.00 39.48 40.02 1kyp n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1kyp n THR 9 N -0.92 0.61 -3.89 4.37 -2.24 -1.24 -4.14 114.28 106.82 1kyp n THR 9 Ca 0.13 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1kyp n THR 9 Cb 0.57 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1kyp n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kyp n GLY 10 N 1.01 4.57 3.71 3.38 0.00 -1.26 -4.81 105.19 111.78 1kyp n GLY 10 Ca 0.05 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1kyp n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kyp s VAL 11 N -0.87 4.20 -0.14 1.61 1.01 -1.26 -4.46 120.40 120.48 1kyp s VAL 11 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1kyp s VAL 11 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1kyp s VAL 11 CO 0.00 0.10 -0.20 -0.69 0.00 0.00 0.00 175.10 174.30 1kyp s VAL 12 N 1.29 2.19 0.48 2.92 1.01 -0.33 -4.97 120.40 123.00 1kyp s VAL 12 Ca 0.57 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1kyp s VAL 12 Cb -0.27 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 1kyp s VAL 12 CO 0.28 0.54 1.20 -2.16 0.00 0.00 0.00 175.10 174.96 1kyp s PRO 13 N 0.83 3.59 -0.02 2.72 0.04 -1.26 -1.35 135.00 139.55 1kyp s PRO 13 Ca -0.06 1.86 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1kyp s PRO 13 Cb -0.15 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 1kyp s PRO 13 CO -0.02 -0.71 -0.18 0.42 0.04 0.00 0.00 177.00 176.55 1kyp s ILE 14 N -1.51 1.42 -0.05 0.56 1.01 -0.14 -1.15 121.20 121.33 1kyp s ILE 14 Ca 0.66 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.62 1kyp s ILE 14 Cb -0.31 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 1kyp s ILE 14 CO 0.37 0.40 -0.23 -0.76 0.00 0.00 0.00 174.94 174.72 1kyp s LEU 15 N -0.26 2.03 -0.07 2.97 1.43 -0.49 -2.18 118.68 122.10 1kyp s LEU 15 Ca 0.03 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1kyp s LEU 15 Cb -0.08 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1kyp s LEU 15 CO 0.00 0.22 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 1kyp s VAL 16 N -0.10 1.54 -0.07 -1.59 1.01 -0.41 -1.02 120.40 119.75 1kyp s VAL 16 Ca -0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1kyp s VAL 16 Cb -0.13 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.92 1kyp s VAL 16 CO 0.03 0.44 -0.03 -1.61 0.00 0.00 0.00 175.10 173.94 1kyp s GLU 17 N 0.34 0.86 -0.04 2.72 0.41 -0.28 -0.14 118.70 122.57 1kyp s GLU 17 Ca -0.12 -0.02 0.06 0.00 -0.41 0.00 0.00 54.97 54.47 1kyp s GLU 17 Cb -0.15 -1.07 -0.01 0.00 -1.78 0.00 0.00 34.13 31.11 1kyp s GLU 17 CO 0.05 -0.24 -0.22 -1.17 -0.49 0.00 0.00 175.26 173.19 1kyp s LEU 18 N 1.66 2.01 -0.15 1.80 0.20 -0.01 -0.60 118.68 123.59 1kyp s LEU 18 Ca 0.01 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.40 1kyp s LEU 18 Cb -0.13 -1.17 -0.01 0.00 -0.43 0.00 0.00 46.19 44.45 1kyp s LEU 18 CO -0.04 0.23 -0.13 -0.62 -0.29 0.00 0.00 176.35 175.49 1kyp s ASP 19 N -0.22 3.91 0.07 3.68 3.68 -0.55 -1.26 116.67 125.97 1kyp s ASP 19 Ca 0.00 -0.39 0.06 0.00 2.13 0.00 0.00 52.55 54.36 1kyp s ASP 19 Cb -0.11 -1.61 -0.03 0.00 -1.45 0.00 0.00 42.92 39.72 1kyp s ASP 19 CO 0.02 0.12 -0.17 -0.83 0.13 0.00 0.00 175.17 174.44 1kyp s GLY 20 N 0.64 0.98 -0.15 2.66 0.00 0.89 -1.04 107.32 111.31 1kyp s GLY 20 Ca -0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 1kyp s GLY 20 CO 0.03 -1.04 0.07 -0.35 0.00 0.00 0.00 173.10 171.80 1kyp s ASP 21 N -1.62 2.18 -0.23 1.64 -1.08 -0.53 -1.45 116.67 115.59 1kyp s ASP 21 Ca 0.02 -0.50 0.02 0.00 -0.52 0.00 0.00 52.55 51.57 1kyp s ASP 21 Cb -0.09 -0.29 0.04 0.00 -1.46 0.00 0.00 42.92 41.12 1kyp s ASP 21 CO 0.03 -0.32 -0.15 -0.69 0.52 0.00 0.00 175.17 174.56 1kyp s VAL 22 N 2.09 2.13 -1.39 1.11 1.01 -0.34 0.05 120.40 125.06 1kyp s VAL 22 Ca 0.02 -1.36 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 1kyp s VAL 22 Cb -0.15 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1kyp s VAL 22 CO -0.08 0.20 0.37 0.59 0.00 0.00 0.00 175.10 176.18 1kyp n ASN 23 N 4.51 -4.85 0.00 3.32 4.13 -0.36 -0.37 115.26 121.63 1kyp n ASN 23 Ca -0.17 -0.18 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1kyp n ASN 23 Cb 0.45 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 1kyp n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kyp n GLY 24 N -1.20 1.50 3.62 7.41 0.00 -1.26 -5.01 105.19 110.25 1kyp n GLY 24 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1kyp n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kyp s HIS 25 N -3.22 3.04 -0.03 1.61 3.76 0.50 -5.02 115.29 115.93 1kyp s HIS 25 Ca 0.00 0.95 -0.15 0.00 -0.15 0.00 0.00 55.06 55.71 1kyp s HIS 25 Cb 0.00 -3.88 -0.05 0.00 1.11 0.00 0.00 32.58 29.75 1kyp s HIS 25 CO 0.00 -0.92 0.40 0.15 -0.85 0.00 0.00 174.74 173.51 1kyp s LYS 26 N 3.82 3.98 0.10 1.40 -0.14 -1.26 -1.20 119.74 126.44 1kyp s LYS 26 Ca 0.44 0.37 -0.18 0.00 -1.36 0.00 0.00 55.97 55.24 1kyp s LYS 26 Cb -0.11 -3.26 0.04 0.00 -1.68 0.00 0.00 37.83 32.82 1kyp s LYS 26 CO 0.21 0.59 0.44 -0.59 -0.76 0.00 0.00 175.35 175.23 1kyp s PHE 27 N -0.72 -0.28 0.01 3.18 -0.71 -0.53 -4.99 117.98 113.94 1kyp s PHE 27 Ca 0.23 0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.25 1kyp s PHE 27 Cb -0.16 0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.93 1kyp s PHE 27 CO 0.12 -0.68 -0.13 -1.12 -1.34 0.00 0.00 175.22 172.07 1kyp s SER 28 N -2.49 1.52 -0.05 1.98 0.01 -1.26 -0.08 113.70 113.33 1kyp s SER 28 Ca -0.00 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.96 1kyp s SER 28 Cb 0.01 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1kyp s SER 28 CO -0.08 0.09 -0.13 -0.69 0.41 0.00 0.00 173.24 172.84 1kyp s VAL 29 N -0.55 1.17 -0.09 3.43 1.01 -0.39 -1.67 120.40 123.30 1kyp s VAL 29 Ca 0.03 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1kyp s VAL 29 Cb -0.06 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1kyp s VAL 29 CO 0.00 0.35 -0.23 -0.44 0.00 0.00 0.00 175.10 174.79 1kyp s SER 30 N 0.38 3.23 0.11 3.32 0.01 -0.53 -0.83 113.70 119.40 1kyp s SER 30 Ca -0.09 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 56.73 1kyp s SER 30 Cb -0.13 -1.31 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 1kyp s SER 30 CO 0.03 0.18 -0.19 -0.83 0.41 0.00 0.00 173.24 172.84 1kyp s GLY 31 N 0.22 1.20 0.03 3.44 0.00 0.80 -0.60 107.32 112.40 1kyp s GLY 31 Ca -0.14 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1kyp s GLY 31 CO 0.07 -1.29 -0.07 -0.54 0.00 0.00 0.00 173.10 171.28 1kyp s GLU 32 N -2.16 0.47 0.00 2.90 2.02 -0.59 -1.29 118.70 120.05 1kyp s GLU 32 Ca 0.07 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1kyp s GLU 32 Cb -0.08 -0.30 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1kyp s GLU 32 CO 0.04 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1kyp n GLY 33 N 1.99 -0.68 3.33 -1.39 0.00 -0.93 -1.41 105.19 106.09 1kyp n GLY 33 Ca -0.19 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1kyp n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kyp s GLU 34 N -1.10 1.08 -0.00 1.61 -1.05 -0.52 -0.97 118.70 117.75 1kyp s GLU 34 Ca 0.00 -0.71 0.05 0.00 -0.15 0.00 0.00 54.97 54.16 1kyp s GLU 34 Cb 0.00 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.15 1kyp s GLU 34 CO 0.00 -0.43 -0.16 0.20 0.95 0.00 0.00 175.26 175.83 1kyp s GLY 35 N -2.81 0.78 -0.42 -3.83 0.00 -0.45 -1.71 107.32 98.89 1kyp s GLY 35 Ca 0.03 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1kyp s GLY 35 CO -0.12 -0.60 0.21 -0.35 0.00 0.00 0.00 173.10 172.24 1kyp s ASP 36 N -0.48 3.71 0.58 1.64 -1.08 0.20 -1.18 116.67 120.07 1kyp s ASP 36 Ca 0.06 -2.46 0.37 0.00 -0.52 0.00 0.00 52.55 49.99 1kyp s ASP 36 Cb -0.06 -1.01 1.70 0.00 -1.46 0.00 0.00 42.92 42.10 1kyp s ASP 36 CO -0.00 -0.29 2.11 0.00 0.52 0.00 0.00 175.17 177.51 1kyp h ALA 37 N 6.95 1.02 -0.44 3.66 0.00 -1.75 -1.02 119.26 127.69 1kyp h ALA 37 Ca -0.03 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1kyp h ALA 37 Cb 0.94 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1kyp h ALA 37 CO 0.47 0.02 0.30 1.15 0.00 0.00 0.00 179.25 181.20 1kyp h THR 38 N 0.00 0.89 -0.26 0.00 2.02 -1.88 -1.74 112.91 111.94 1kyp h THR 38 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1kyp h THR 38 Cb 0.34 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1kyp h THR 38 CO 0.00 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 1kyp n TYR 39 N -4.46 0.34 -2.85 3.16 4.01 -0.46 -4.96 117.16 111.94 1kyp n TYR 39 Ca 0.07 -0.44 -0.20 0.00 -0.16 0.00 0.00 57.90 57.17 1kyp n TYR 39 Cb 0.36 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 1kyp n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kyp n GLY 40 N 0.39 -0.50 3.45 2.72 0.00 -0.65 -4.74 105.19 105.84 1kyp n GLY 40 Ca 0.09 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1kyp n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kyp s LYS 41 N -5.49 3.47 -0.05 1.61 2.20 -0.76 -1.15 119.74 119.57 1kyp s LYS 41 Ca 0.20 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 1kyp s LYS 41 Cb -0.09 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1kyp s LYS 41 CO 0.24 0.27 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.75 1kyp s LEU 42 N 0.26 2.04 -0.18 5.43 1.43 0.00 -0.62 118.68 127.04 1kyp s LEU 42 Ca -0.06 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1kyp s LEU 42 Cb -0.15 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.82 1kyp s LEU 42 CO 0.04 0.23 -0.04 0.42 0.23 0.00 0.00 176.35 177.23 1kyp s THR 43 N -0.14 1.10 0.01 5.49 -4.23 -0.69 -1.34 115.64 115.85 1kyp s THR 43 Ca -0.03 -0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1kyp s THR 43 Cb -0.13 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 1kyp s THR 43 CO 0.03 0.05 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.39 1kyp s LEU 44 N 1.62 2.16 -0.14 4.79 1.43 -0.49 -1.44 118.68 126.60 1kyp s LEU 44 Ca -0.01 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1kyp s LEU 44 Cb -0.16 0.09 0.01 0.00 0.03 0.00 0.00 46.19 46.16 1kyp s LEU 44 CO -0.07 -0.23 -0.21 -0.75 0.23 0.00 0.00 176.35 175.31 1kyp s LYS 45 N -1.09 3.04 -0.06 1.70 2.20 -0.50 -0.68 119.74 124.34 1kyp s LYS 45 Ca -0.12 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.67 1kyp s LYS 45 Cb -0.07 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1kyp s LYS 45 CO -0.01 -0.01 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.81 1kyp s PHE 46 N 0.80 2.81 -0.04 4.03 0.40 0.27 -1.54 117.98 124.71 1kyp s PHE 46 Ca -0.07 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1kyp s PHE 46 Cb -0.16 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1kyp s PHE 46 CO -0.01 0.22 -0.18 0.42 0.70 0.00 0.00 175.22 176.36 1kyp s ILE 47 N -0.67 1.50 -0.45 0.64 1.01 0.23 -0.79 121.20 122.66 1kyp s ILE 47 Ca 0.10 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1kyp s ILE 47 Cb -0.11 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.10 1kyp s ILE 47 CO 0.01 0.43 1.02 0.00 0.00 0.00 0.00 174.94 176.40 1kyp n THR 49 N 6.53 0.00 0.98 0.00 -2.24 -0.67 -3.74 114.28 115.14 1kyp n THR 49 Ca 0.09 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 1kyp n THR 49 Cb 0.49 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 1kyp n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1kyp n THR 50 N -1.23 0.00 0.00 4.28 -2.24 -1.25 -5.02 114.28 108.82 1kyp n THR 50 Ca 0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1kyp n THR 50 Cb 0.31 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1kyp n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kyp n GLY 51 N 1.43 0.47 3.74 3.38 0.00 -1.24 -5.04 105.19 107.93 1kyp n GLY 51 Ca 0.07 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1kyp n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kyp s LYS 52 N -0.43 4.62 0.03 1.61 2.20 -1.26 -4.51 119.74 122.00 1kyp s LYS 52 Ca 0.00 1.66 -0.30 0.00 -0.36 0.00 0.00 55.97 56.97 1kyp s LYS 52 Cb 0.00 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 1kyp s LYS 52 CO 0.00 0.10 1.30 -1.17 -0.36 0.00 0.00 175.35 175.22 1kyp s LEU 53 N -0.28 4.34 0.00 5.43 2.96 -1.26 -4.92 118.68 124.95 1kyp s LEU 53 Ca 0.49 2.08 0.25 0.00 -0.22 0.00 0.00 54.13 56.72 1kyp s LEU 53 Cb -0.28 -3.57 1.19 0.00 0.50 0.00 0.00 46.19 44.03 1kyp s LEU 53 CO 0.34 -0.60 1.80 -0.81 -1.32 0.00 0.00 176.35 175.75 1kyp n PRO 54 N 4.59 1.36 -4.27 0.98 -0.04 -1.26 -4.80 135.00 131.55 1kyp n PRO 54 Ca 0.11 -0.53 -0.15 0.00 -0.04 0.00 0.00 63.50 62.89 1kyp n PRO 54 Cb 0.45 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1kyp n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1kyp s VAL 55 N -1.95 1.17 0.31 0.52 -7.23 -1.26 -4.69 120.40 107.28 1kyp s VAL 55 Ca 0.36 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 1kyp s VAL 55 Cb 0.18 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 35.05 1kyp s VAL 55 CO 0.29 -0.65 1.24 -2.84 -0.31 0.00 0.00 175.10 172.84 1kyp s PRO 56 N -3.77 4.45 0.25 4.82 0.02 -1.26 -4.94 135.00 134.57 1kyp s PRO 56 Ca 0.20 2.07 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 1kyp s PRO 56 Cb 0.03 -3.12 0.49 0.00 0.02 0.00 0.00 34.50 31.92 1kyp s PRO 56 CO 0.03 -0.06 1.72 -1.49 -0.33 0.00 0.00 177.00 176.87 1kyp h TRP 57 N 3.62 0.49 -0.11 6.54 4.06 -1.95 -0.33 115.95 128.26 1kyp h TRP 57 Ca -0.48 0.04 0.03 0.00 2.06 0.00 0.00 58.89 60.54 1kyp h TRP 57 Cb 1.22 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1kyp h TRP 57 CO 0.57 0.03 0.12 -1.35 -3.56 0.00 0.00 178.44 174.25 1kyp h PRO 58 N 0.41 0.00 0.00 0.49 0.11 -1.87 -0.40 132.00 130.74 1kyp h PRO 58 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1kyp h PRO 58 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1kyp h PRO 58 CO -0.43 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.61 1kyp n THR 59 N -3.87 0.47 0.78 -1.15 -2.24 -0.14 -2.68 114.28 105.46 1kyp n THR 59 Ca -0.00 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1kyp n THR 59 Cb 0.23 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 1kyp n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1kyp n LEU 60 N -1.42 1.31 -0.08 3.22 4.77 -0.16 -4.65 117.00 119.98 1kyp n LEU 60 Ca 0.07 -0.65 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 1kyp n LEU 60 Cb 0.22 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1kyp n LEU 60 CO 0.19 0.27 0.82 0.58 -1.33 0.00 0.00 177.39 177.92 1kyp h VAL 61 N 1.08 0.72 0.00 4.08 2.07 -1.48 -0.58 116.25 122.15 1kyp h VAL 61 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1kyp h VAL 61 Cb 0.51 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1kyp h VAL 61 CO 0.00 0.01 -0.30 0.71 0.02 0.00 0.00 177.57 178.00 1kyp h THR 62 N 0.03 1.08 -0.12 2.57 1.35 -1.82 -2.86 112.91 113.13 1kyp h THR 62 Ca 0.15 -1.09 -0.17 0.00 -0.55 0.00 0.00 66.41 64.74 1kyp h THR 62 Cb 0.22 1.61 0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1kyp h THR 62 CO -0.29 0.30 -0.60 0.74 -0.25 0.00 0.00 175.52 175.42 1kyp h THR 63 N 0.00 1.33 0.00 6.82 2.02 -1.67 -3.46 112.91 117.96 1kyp h THR 63 Ca -0.00 -1.87 -0.35 0.00 0.77 0.00 0.00 66.41 64.95 1kyp h THR 63 Cb 0.59 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1kyp h THR 63 CO 0.04 0.57 2.09 0.18 0.37 0.00 0.00 175.52 178.77 1kyp n LEU 64 N -4.13 5.12 0.00 2.58 4.77 -0.30 -5.03 117.00 120.01 1kyp n LEU 64 Ca -0.08 -2.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 1kyp n LEU 64 Cb 0.65 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1kyp n LEU 64 CO 0.49 0.92 0.00 1.33 -1.33 0.00 0.00 177.39 178.80 1kyp n VAL 68 N 3.70 0.00 0.90 4.08 0.24 -1.26 -5.00 118.33 120.99 1kyp n VAL 68 Ca 0.45 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.85 1kyp n VAL 68 Cb 0.27 0.00 0.49 0.00 -1.47 0.00 0.00 33.84 33.13 1kyp n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kyp n GLN 69 N 0.00 0.22 0.17 7.34 6.02 -1.26 -1.42 117.38 128.44 1kyp n GLN 69 Ca 0.00 0.11 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 1kyp n GLN 69 Cb 0.00 -1.50 0.60 0.00 1.02 0.00 0.00 30.24 30.36 1kyp n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kyp n PHE 71 N -2.30 0.28 -1.90 0.00 3.72 -0.51 -4.71 117.46 112.05 1kyp n PHE 71 Ca -0.01 -0.14 -0.38 0.00 -0.05 0.00 0.00 57.45 56.87 1kyp n PHE 71 Cb 0.08 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1kyp n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1kyp s SER 72 N -1.57 5.51 -0.46 4.37 0.01 -0.80 -4.15 113.70 116.62 1kyp s SER 72 Ca 0.34 2.66 -0.26 0.00 1.31 0.00 0.00 55.95 60.00 1kyp s SER 72 Cb 0.19 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1kyp s SER 72 CO 0.28 -1.40 0.96 -0.60 0.41 0.00 0.00 173.24 172.90 1kyp s ARG 73 N -2.84 3.59 -0.35 12.44 3.52 -0.09 -4.80 118.95 130.43 1kyp s ARG 73 Ca 0.69 0.27 -0.19 0.00 -0.13 0.00 0.00 55.73 56.37 1kyp s ARG 73 Cb -0.38 -3.91 -0.00 0.00 -1.56 0.00 0.00 34.95 29.10 1kyp s ARG 73 CO 0.45 -1.23 0.57 0.71 -0.81 0.00 0.00 175.30 174.99 1kyp s TYR 74 N 3.85 3.17 0.58 5.12 1.51 -1.26 -0.72 117.35 129.60 1kyp s TYR 74 Ca 0.39 0.29 -0.19 0.00 -1.01 0.00 0.00 57.07 56.55 1kyp s TYR 74 Cb -0.10 -3.01 -0.06 0.00 -0.11 0.00 0.00 41.96 38.68 1kyp s TYR 74 CO 0.27 -0.56 0.95 -2.30 -1.11 0.00 0.00 175.55 172.79 1kyp n PRO 75 N 5.87 0.94 -0.33 -1.71 -0.02 -1.26 -4.74 135.00 133.75 1kyp n PRO 75 Ca -0.03 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1kyp n PRO 75 Cb 0.49 -2.13 0.33 0.00 -0.02 0.00 0.00 33.50 32.17 1kyp n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1kyp h ASP 76 N 0.60 0.63 0.59 2.55 3.58 -2.00 0.32 116.42 122.69 1kyp h ASP 76 Ca -0.48 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1kyp h ASP 76 Cb 1.36 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1kyp h ASP 76 CO 0.51 0.15 0.00 0.00 -2.88 0.00 0.00 179.24 177.02 1kyp n HIS 77 N -4.88 0.08 -0.71 0.28 1.44 -1.26 -2.27 115.22 107.90 1kyp n HIS 77 Ca 0.24 0.03 0.07 0.00 -2.01 0.00 0.00 57.72 56.05 1kyp n HIS 77 Cb 0.64 -0.55 0.17 0.00 0.12 0.00 0.00 29.99 30.37 1kyp n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1kyp n MET 78 N -1.57 2.47 0.29 -1.40 2.81 0.11 -4.76 117.12 115.07 1kyp n MET 78 Ca 0.04 -2.41 0.16 0.00 -1.81 0.00 0.00 57.70 53.68 1kyp n MET 78 Cb 0.20 -1.51 0.89 0.00 -0.71 0.00 0.00 33.22 32.09 1kyp n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1kyp h LYS 79 N 1.07 0.00 0.00 0.03 2.10 -1.06 -0.91 116.57 117.81 1kyp h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1kyp h LYS 79 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1kyp h LYS 79 CO 0.08 0.05 0.00 0.00 -2.00 0.00 0.00 179.45 177.59 1kyp n GLN 80 N -3.47 0.65 -0.26 0.07 0.00 -1.26 -2.90 117.38 110.20 1kyp n GLN 80 Ca -0.02 0.01 0.07 0.00 0.00 0.00 0.00 57.00 57.07 1kyp n GLN 80 Cb 0.17 -1.50 0.21 0.00 0.00 0.00 0.00 30.24 29.12 1kyp n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1kyp n HIS 81 N -1.05 0.66 -3.15 2.61 8.25 -0.34 -4.65 115.22 117.54 1kyp n HIS 81 Ca 0.16 -0.53 -0.45 0.00 -0.26 0.00 0.00 57.72 56.64 1kyp n HIS 81 Cb 0.10 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 1kyp n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1kyp s ASP 82 N -1.06 6.92 0.16 0.41 -1.08 -1.14 -4.55 116.67 116.33 1kyp s ASP 82 Ca 0.31 -2.80 -0.15 0.00 -0.52 0.00 0.00 52.55 49.39 1kyp s ASP 82 Cb 0.17 -2.30 0.08 0.00 -1.46 0.00 0.00 42.92 39.42 1kyp s ASP 82 CO 0.19 -0.67 1.76 0.15 0.52 0.00 0.00 175.17 177.13 1kyp h PHE 83 N 7.67 0.29 -0.01 -5.34 3.57 -1.90 -3.00 116.94 118.22 1kyp h PHE 83 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1kyp h PHE 83 Cb 0.96 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1kyp h PHE 83 CO 1.02 0.13 -0.14 0.74 -2.23 0.00 0.00 178.31 177.83 1kyp h PHE 84 N 0.33 -0.37 0.00 0.41 0.04 -1.89 -1.30 116.94 114.16 1kyp h PHE 84 Ca 0.18 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.87 1kyp h PHE 84 Cb 0.13 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1kyp h PHE 84 CO -0.13 -0.21 -0.45 0.87 -0.60 0.00 0.00 178.31 177.79 1kyp h LYS 85 N -0.24 0.00 0.00 1.51 1.57 -1.84 -3.04 116.57 114.54 1kyp h LYS 85 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1kyp h LYS 85 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1kyp h LYS 85 CO -0.14 0.45 -0.16 0.66 -0.57 0.00 0.00 179.45 179.68 1kyp h SER 86 N 0.00 0.00 0.60 0.86 4.64 -1.11 -1.76 113.55 116.79 1kyp h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kyp h SER 86 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1kyp h SER 86 CO 0.06 0.16 -0.00 0.00 -0.87 0.00 0.00 176.83 176.18 1kyp n ALA 87 N -2.35 2.48 -2.43 5.18 0.00 -0.86 -4.54 120.51 117.99 1kyp n ALA 87 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1kyp n ALA 87 Cb 0.26 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1kyp n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kyp s MET 88 N -2.61 3.67 0.00 0.00 1.00 -0.66 -0.62 119.30 120.09 1kyp s MET 88 Ca 0.27 0.13 0.28 0.00 0.00 0.00 0.00 55.69 56.38 1kyp s MET 88 Cb 0.20 -2.58 1.15 0.00 0.00 0.00 0.00 34.83 33.60 1kyp s MET 88 CO 0.47 0.15 1.83 -0.35 0.00 0.00 0.00 175.02 177.12 1kyp n PRO 89 N -1.01 0.32 -0.13 2.03 -0.04 -1.26 -4.11 135.00 130.80 1kyp n PRO 89 Ca -0.01 -0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1kyp n PRO 89 Cb 0.54 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.74 1kyp n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1kyp h GLU 90 N 0.21 0.81 0.00 0.54 3.07 -1.90 -2.67 114.58 114.64 1kyp h GLU 90 Ca 0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1kyp h GLU 90 Cb 0.41 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1kyp h GLU 90 CO 0.00 0.67 0.00 0.41 -1.40 0.00 0.00 179.01 178.69 1kyp n GLY 91 N -1.05 -1.67 3.13 -3.84 0.00 0.21 -4.66 105.19 97.30 1kyp n GLY 91 Ca 0.05 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 1kyp n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kyp s TYR 92 N 0.00 0.26 -0.03 1.61 -0.85 -0.36 -0.64 117.35 117.33 1kyp s TYR 92 Ca 0.00 -0.63 -0.18 0.00 -0.52 0.00 0.00 57.07 55.74 1kyp s TYR 92 Cb 0.00 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 1kyp s TYR 92 CO 0.00 -0.40 0.49 0.08 -1.52 0.00 0.00 175.55 174.20 1kyp s VAL 93 N -3.10 5.02 -0.18 -3.49 1.01 0.22 -1.25 120.40 118.63 1kyp s VAL 93 Ca -0.01 1.00 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1kyp s VAL 93 Cb 0.02 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1kyp s VAL 93 CO -0.07 0.46 -0.17 -1.58 0.00 0.00 0.00 175.10 173.74 1kyp s GLN 94 N -0.31 2.68 -0.03 2.72 0.74 0.01 -1.65 119.66 123.82 1kyp s GLN 94 Ca 0.26 -0.78 0.08 0.00 0.05 0.00 0.00 55.36 54.97 1kyp s GLN 94 Cb -0.17 -2.45 -0.02 0.00 1.10 0.00 0.00 33.01 31.48 1kyp s GLN 94 CO 0.14 -0.25 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.16 1kyp s GLU 95 N 1.34 2.20 0.04 1.67 2.02 0.06 -0.54 118.70 125.50 1kyp s GLU 95 Ca 0.04 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.12 1kyp s GLU 95 Cb -0.14 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1kyp s GLU 95 CO -0.12 0.53 -0.05 1.03 0.02 0.00 0.00 175.26 176.67 1kyp s ARG 96 N -0.54 0.51 -0.21 1.61 0.52 -0.83 -1.03 118.95 118.98 1kyp s ARG 96 Ca 0.08 -0.84 -0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1kyp s ARG 96 Cb -0.11 -0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.27 1kyp s ARG 96 CO -0.00 -0.01 -0.08 0.99 0.02 0.00 0.00 175.30 176.22 1kyp s THR 97 N -2.02 3.11 -0.28 0.02 2.01 -0.53 -0.95 115.64 117.00 1kyp s THR 97 Ca -0.07 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 1kyp s THR 97 Cb -0.06 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1kyp s THR 97 CO -0.02 0.45 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.72 1kyp s ILE 98 N 1.40 3.17 -0.38 1.82 1.01 0.34 -1.61 121.20 126.95 1kyp s ILE 98 Ca 0.05 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1kyp s ILE 98 Cb -0.14 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1kyp s ILE 98 CO -0.05 0.07 0.21 -0.44 0.00 0.00 0.00 174.94 174.74 1kyp s SER 99 N 1.34 5.66 -0.24 3.58 0.01 0.01 -0.90 113.70 123.16 1kyp s SER 99 Ca -0.01 -1.16 -0.27 0.00 1.31 0.00 0.00 55.95 55.82 1kyp s SER 99 Cb -0.18 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.06 1kyp s SER 99 CO -0.02 -0.42 0.97 -0.36 0.41 0.00 0.00 173.24 173.82 1kyp s PHE 100 N 1.50 3.32 0.22 2.43 0.40 -0.38 -1.20 117.98 124.27 1kyp s PHE 100 Ca 0.02 1.34 -0.32 0.00 -0.60 0.00 0.00 56.93 57.37 1kyp s PHE 100 Cb -0.20 -3.21 -0.13 0.00 0.51 0.00 0.00 43.02 39.99 1kyp s PHE 100 CO 0.05 -0.46 1.60 1.17 0.70 0.00 0.00 175.22 178.28 1kyp n LYS 101 N 6.23 2.45 -1.74 0.44 4.81 -0.45 -1.15 118.16 128.76 1kyp n LYS 101 Ca 0.10 0.88 -0.18 0.00 -0.87 0.00 0.00 58.31 58.24 1kyp n LYS 101 Cb 0.47 -2.66 -0.06 0.00 0.02 0.00 0.00 35.03 32.80 1kyp n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1kyp n ASP 102 N 3.11 -5.12 0.00 3.14 8.00 -1.26 -4.81 116.55 119.61 1kyp n ASP 102 Ca 0.14 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1kyp n ASP 102 Cb 0.33 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 1kyp n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1kyp n ASP 103 N -0.97 0.00 -2.13 -2.24 -0.08 -0.30 -4.94 116.55 105.89 1kyp n ASP 103 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1kyp n ASP 103 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 1kyp n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kyp n GLY 104 N 0.00 -0.71 3.03 0.27 0.00 -1.16 -4.59 105.19 102.03 1kyp n GLY 104 Ca 0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 1kyp n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kyp s ASN 105 N -1.00 0.69 -0.14 1.61 2.20 -0.77 -1.24 114.94 116.29 1kyp s ASN 105 Ca 0.00 -0.50 -0.08 0.00 -0.94 0.00 0.00 52.86 51.34 1kyp s ASN 105 Cb 0.00 0.04 -0.04 0.00 -2.00 0.00 0.00 41.25 39.25 1kyp s ASN 105 CO 0.00 -0.21 0.13 -0.31 -2.94 0.00 0.00 177.10 173.78 1kyp s TYR 106 N -1.30 3.54 -0.13 1.54 2.02 -0.08 -1.62 117.35 121.31 1kyp s TYR 106 Ca -0.11 0.47 -0.00 0.00 -0.37 0.00 0.00 57.07 57.06 1kyp s TYR 106 Cb -0.09 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1kyp s TYR 106 CO 0.00 0.62 -0.13 0.15 -1.57 0.00 0.00 175.55 174.61 1kyp s LYS 107 N -0.68 3.36 0.07 -0.62 1.02 0.46 -0.50 119.74 122.84 1kyp s LYS 107 Ca 0.13 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.50 1kyp s LYS 107 Cb -0.12 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1kyp s LYS 107 CO 0.02 0.19 -0.19 0.95 -0.92 0.00 0.00 175.35 175.40 1kyp s THR 108 N 0.42 1.57 -0.04 2.17 -4.23 -0.12 -1.05 115.64 114.36 1kyp s THR 108 Ca -0.10 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1kyp s THR 108 Cb -0.16 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.30 1kyp s THR 108 CO 0.05 0.03 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.55 1kyp s ARG 109 N -1.54 0.47 0.06 3.99 3.52 -0.52 -1.97 118.95 122.97 1kyp s ARG 109 Ca 0.05 0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.74 1kyp s ARG 109 Cb -0.09 -0.66 -0.03 0.00 -1.56 0.00 0.00 34.95 32.61 1kyp s ARG 109 CO 0.03 -0.16 -0.11 0.00 -0.81 0.00 0.00 175.30 174.25 1kyp s ALA 110 N 1.23 0.90 -0.17 6.12 0.00 0.30 -0.69 121.76 129.46 1kyp s ALA 110 Ca -0.07 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1kyp s ALA 110 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1kyp s ALA 110 CO -0.02 0.06 -0.15 -1.21 0.00 0.00 0.00 175.76 174.45 1kyp s GLU 111 N -1.79 3.21 -0.22 0.00 2.02 0.06 -0.81 118.70 121.16 1kyp s GLU 111 Ca -0.05 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.18 1kyp s GLU 111 Cb -0.09 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1kyp s GLU 111 CO 0.01 -0.03 -0.09 0.08 0.02 0.00 0.00 175.26 175.25 1kyp s VAL 112 N 0.94 2.85 0.17 2.63 1.01 -0.38 -1.36 120.40 126.26 1kyp s VAL 112 Ca -0.03 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 1kyp s VAL 112 Cb -0.15 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 33.94 1kyp s VAL 112 CO -0.02 0.34 0.68 -1.59 0.00 0.00 0.00 175.10 174.51 1kyp s LYS 113 N 1.36 1.33 0.23 2.72 -2.85 -0.36 -1.23 119.74 120.95 1kyp s LYS 113 Ca 0.03 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.13 1kyp s LYS 113 Cb -0.15 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 1kyp s LYS 113 CO -0.06 -0.59 0.94 -0.06 0.10 0.00 0.00 175.35 175.68 1kyp s PHE 114 N -3.69 3.97 -0.33 1.78 0.08 -1.01 -1.06 117.98 117.72 1kyp s PHE 114 Ca 0.04 1.90 0.04 0.00 0.12 0.00 0.00 56.93 59.03 1kyp s PHE 114 Cb -0.02 -2.98 0.10 0.00 -0.57 0.00 0.00 43.02 39.54 1kyp s PHE 114 CO -0.07 0.44 0.04 -1.21 -0.10 0.00 0.00 175.22 174.31 1kyp s GLU 115 N -1.07 1.59 7.72 0.44 0.41 0.09 -4.94 118.70 122.93 1kyp s GLU 115 Ca 0.41 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.16 1kyp s GLU 115 Cb -0.26 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 28.90 1kyp s GLU 115 CO 0.32 -0.90 0.00 0.41 -0.49 0.00 0.00 175.26 174.59 1kyp n GLY 116 N 4.29 3.33 1.47 -1.39 0.00 -1.26 -1.87 105.19 109.75 1kyp n GLY 116 Ca 0.02 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1kyp n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kyp n ASP 117 N 4.90 4.35 -4.53 1.61 8.00 -1.26 -4.89 116.55 124.73 1kyp n ASP 117 Ca 0.00 -2.48 -0.34 0.00 0.71 0.00 0.00 54.79 52.68 1kyp n ASP 117 Cb 0.00 -0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 40.42 1kyp n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kyp s THR 118 N -1.98 3.92 -0.24 -3.53 2.01 -0.78 -4.38 115.64 110.66 1kyp s THR 118 Ca 0.44 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 1kyp s THR 118 Cb 0.30 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 1kyp s THR 118 CO 0.19 0.52 0.81 -0.22 -0.69 0.00 0.00 174.62 175.23 1kyp s LEU 119 N 0.07 4.09 -0.09 4.42 1.98 -0.30 -0.73 118.68 128.11 1kyp s LEU 119 Ca -0.00 1.01 0.01 0.00 -2.89 0.00 0.00 54.13 52.26 1kyp s LEU 119 Cb -0.13 -3.16 -0.02 0.00 0.66 0.00 0.00 46.19 43.54 1kyp s LEU 119 CO 0.03 -0.49 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.18 1kyp s VAL 120 N 2.73 3.15 -0.27 1.68 1.01 -0.23 -1.40 120.40 127.07 1kyp s VAL 120 Ca 0.34 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1kyp s VAL 120 Cb -0.15 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 33.99 1kyp s VAL 120 CO 0.08 0.55 -0.07 0.21 0.00 0.00 0.00 175.10 175.87 1kyp s ASN 121 N -0.16 4.59 -0.20 3.32 2.47 -0.19 -1.22 114.94 123.54 1kyp s ASN 121 Ca -0.00 -1.35 -0.04 0.00 0.42 0.00 0.00 52.86 51.89 1kyp s ASN 121 Cb -0.13 -1.60 -0.02 0.00 -1.45 0.00 0.00 41.25 38.04 1kyp s ASN 121 CO 0.03 -0.21 -0.02 -0.13 -3.72 0.00 0.00 177.10 173.05 1kyp s ARG 122 N 1.16 3.55 -0.02 0.43 0.52 -0.46 -1.13 118.95 123.00 1kyp s ARG 122 Ca -0.08 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 1kyp s ARG 122 Cb -0.20 -3.03 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 1kyp s ARG 122 CO -0.04 -0.01 -0.12 0.42 0.02 0.00 0.00 175.30 175.57 1kyp s ILE 123 N 1.04 1.01 -0.17 1.52 1.01 0.23 -0.76 121.20 125.08 1kyp s ILE 123 Ca 0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1kyp s ILE 123 Cb -0.14 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1kyp s ILE 123 CO 0.01 0.30 -0.02 -1.61 0.00 0.00 0.00 174.94 173.62 1kyp s GLU 124 N -0.09 3.69 -0.09 2.79 2.02 0.14 -1.49 118.70 125.68 1kyp s GLU 124 Ca 0.01 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.53 1kyp s GLU 124 Cb -0.07 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1kyp s GLU 124 CO 0.00 0.19 -0.20 -1.17 0.02 0.00 0.00 175.26 174.10 1kyp s LEU 125 N 0.51 1.94 -0.12 1.80 0.20 -0.20 -1.43 118.68 121.38 1kyp s LEU 125 Ca -0.02 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.34 1kyp s LEU 125 Cb -0.14 -1.22 0.02 0.00 -0.43 0.00 0.00 46.19 44.42 1kyp s LEU 125 CO 0.02 0.12 -0.16 -0.75 -0.29 0.00 0.00 176.35 175.29 1kyp s LYS 126 N 0.45 2.33 -0.07 1.98 2.47 -0.22 -1.45 119.74 125.24 1kyp s LYS 126 Ca -0.17 -0.60 0.05 0.00 -1.56 0.00 0.00 55.97 53.69 1kyp s LYS 126 Cb -0.17 -1.99 -0.01 0.00 -1.46 0.00 0.00 37.83 34.20 1kyp s LYS 126 CO 0.07 -0.08 -0.24 0.20 0.16 0.00 0.00 175.35 175.47 1kyp s GLY 127 N 1.03 1.33 0.07 5.54 0.00 0.11 -0.41 107.32 114.99 1kyp s GLY 127 Ca -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1kyp s GLY 127 CO -0.03 -0.57 -0.05 -0.26 0.00 0.00 0.00 173.10 172.19 1kyp s ILE 128 N -0.07 0.44 -1.41 0.90 -4.36 -0.64 -1.22 121.20 114.84 1kyp s ILE 128 Ca -0.06 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1kyp s ILE 128 Cb -0.15 -1.36 0.00 0.00 1.25 0.00 0.00 42.46 42.20 1kyp s ILE 128 CO 0.05 -0.83 0.00 0.47 0.24 0.00 0.00 174.94 174.87 1kyp n ASP 129 N 0.34 -4.76 -4.79 4.36 8.00 -1.26 -1.84 116.55 116.60 1kyp n ASP 129 Ca -0.15 0.06 -0.36 0.00 0.71 0.00 0.00 54.79 55.05 1kyp n ASP 129 Cb 0.60 -3.84 -0.06 0.00 -0.02 0.00 0.00 41.12 37.80 1kyp n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1kyp s PHE 130 N -2.75 3.47 0.03 1.24 0.40 -1.26 -3.01 117.98 116.10 1kyp s PHE 130 Ca 0.00 1.70 -0.30 0.00 -0.60 0.00 0.00 56.93 57.73 1kyp s PHE 130 Cb 0.00 -2.99 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 1kyp s PHE 130 CO 0.00 -0.16 0.97 0.15 0.70 0.00 0.00 175.22 176.88 1kyp s LYS 131 N -2.41 4.60 0.41 0.44 1.02 -1.26 -4.91 119.74 117.62 1kyp s LYS 131 Ca 0.55 1.42 0.11 0.00 0.02 0.00 0.00 55.97 58.07 1kyp s LYS 131 Cb -0.18 -3.43 0.93 0.00 -0.52 0.00 0.00 37.83 34.62 1kyp s LYS 131 CO 0.23 0.03 1.97 0.93 -0.92 0.00 0.00 175.35 177.59 1kyp h GLU 132 N 6.43 0.52 -0.47 1.68 4.39 -1.96 -2.19 114.58 122.98 1kyp h GLU 132 Ca -0.42 -0.03 -0.34 0.00 0.34 0.00 0.00 59.36 58.91 1kyp h GLU 132 Cb 1.22 -0.12 -0.35 0.00 -0.10 0.00 0.00 28.75 29.40 1kyp h GLU 132 CO 0.74 0.34 -0.88 -3.47 -1.16 0.00 0.00 179.01 174.58 1kyp n ASP 133 N -4.48 3.08 -2.44 1.42 4.64 -1.26 -3.86 116.55 113.65 1kyp n ASP 133 Ca 0.10 -3.10 -0.06 0.00 -1.38 0.00 0.00 54.79 50.35 1kyp n ASP 133 Cb 0.33 -0.41 0.04 0.00 -1.04 0.00 0.00 41.12 40.04 1kyp n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1kyp n GLY 134 N -0.62 -1.49 0.25 0.27 0.00 -0.82 -4.67 105.19 98.10 1kyp n GLY 134 Ca 0.26 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.79 1kyp n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kyp h ASN 135 N -0.56 0.00 0.00 1.61 2.35 -1.93 0.11 115.58 117.16 1kyp h ASN 135 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1kyp h ASN 135 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1kyp h ASN 135 CO 0.06 0.11 -0.21 0.40 -1.65 0.00 0.00 177.43 176.14 1kyp h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -1.61 117.51 121.81 1kyp h ILE 136 Ca -0.00 -0.58 -0.02 0.00 -0.12 0.00 0.00 64.86 64.14 1kyp h ILE 136 Cb 0.59 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.38 1kyp h ILE 136 CO 0.01 0.00 -0.08 -0.07 -0.68 0.00 0.00 178.15 177.33 1kyp h LEU 137 N -0.58 0.00 -0.58 1.44 3.38 -1.75 -1.35 115.31 115.87 1kyp h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kyp h LEU 137 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1kyp h LEU 137 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1kyp n GLY 138 N 0.03 -0.36 3.67 0.83 0.00 0.03 -4.87 105.19 104.52 1kyp n GLY 138 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 1kyp n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kyp n HIS 139 N -0.26 -1.93 -0.14 1.61 8.25 -0.51 -4.90 115.22 117.33 1kyp n HIS 139 Ca 0.18 0.61 0.08 0.00 -0.26 0.00 0.00 57.72 58.33 1kyp n HIS 139 Cb 0.23 -3.75 0.19 0.00 1.12 0.00 0.00 29.99 27.78 1kyp n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1kyp n LYS 140 N -4.12 2.64 -3.57 -0.41 5.02 -0.61 -4.98 118.16 112.12 1kyp n LYS 140 Ca -0.16 -2.16 -0.37 0.00 -2.02 0.00 0.00 58.31 53.60 1kyp n LYS 140 Cb 0.62 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 1kyp n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kyp s LEU 141 N -1.03 4.37 0.72 -0.35 1.43 -1.25 -0.73 118.68 121.85 1kyp s LEU 141 Ca 0.30 0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 1kyp s LEU 141 Cb 0.16 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1kyp s LEU 141 CO 0.21 0.25 1.14 -1.61 0.23 0.00 0.00 176.35 176.57 1kyp s GLU 142 N -0.45 2.37 -1.23 1.70 2.02 -0.20 -4.84 118.70 118.07 1kyp s GLU 142 Ca 0.20 1.49 -0.12 0.00 0.02 0.00 0.00 54.97 56.56 1kyp s GLU 142 Cb -0.14 -1.89 0.17 0.00 0.10 0.00 0.00 34.13 32.37 1kyp s GLU 142 CO 0.08 -1.60 1.58 0.98 0.02 0.00 0.00 175.26 176.32 1kyp n TYR 143 N -2.81 4.28 -3.82 1.61 9.36 -1.26 -4.80 117.16 119.72 1kyp n TYR 143 Ca 0.11 -3.17 -0.08 0.00 3.32 0.00 0.00 57.90 58.09 1kyp n TYR 143 Cb 0.52 -2.10 0.02 0.00 -0.63 0.00 0.00 39.34 37.15 1kyp n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1kyp s ASN 144 N 2.13 0.00 -0.27 2.98 2.20 -1.26 -4.84 114.94 115.88 1kyp s ASN 144 Ca 0.42 -1.05 -0.10 0.00 -0.94 0.00 0.00 52.86 51.18 1kyp s ASN 144 Cb 0.01 0.78 0.11 0.00 -2.00 0.00 0.00 41.25 40.16 1kyp s ASN 144 CO 0.00 -1.56 0.60 0.12 -2.94 0.00 0.00 177.10 173.33 1kyp s PHE 145 N -2.29 -1.17 0.61 1.54 5.36 -1.26 -4.78 117.98 115.99 1kyp s PHE 145 Ca 0.17 2.11 -0.14 0.00 -0.96 0.00 0.00 56.93 58.11 1kyp s PHE 145 Cb -0.05 0.66 -0.03 0.00 -0.34 0.00 0.00 43.02 43.27 1kyp s PHE 145 CO 0.10 -0.60 1.04 -0.80 -1.46 0.00 0.00 175.22 173.51 1kyp s ASN 146 N 2.56 5.89 0.43 6.13 0.01 -1.26 -4.43 114.94 124.26 1kyp s ASN 146 Ca -0.06 1.67 -0.22 0.00 -0.71 0.00 0.00 52.86 53.54 1kyp s ASN 146 Cb -0.11 -2.51 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 1kyp s ASN 146 CO -0.18 -1.09 1.01 -0.44 -1.51 0.00 0.00 177.10 174.89 1kyp s SER 147 N -3.26 6.70 0.15 -1.22 0.01 -1.26 -4.74 113.70 110.07 1kyp s SER 147 Ca 0.60 1.90 -0.24 0.00 1.31 0.00 0.00 55.95 59.53 1kyp s SER 147 Cb -0.14 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.61 1kyp s SER 147 CO 0.42 -0.53 1.07 -0.83 0.41 0.00 0.00 173.24 173.78 1kyp s GLY 148 N -1.85 0.01 0.10 3.44 0.00 -1.07 -4.99 107.32 102.96 1kyp s GLY 148 Ca 0.61 -0.17 0.08 0.00 0.00 0.00 0.00 44.72 45.25 1kyp s GLY 148 CO 0.21 2.28 -0.18 -1.31 0.00 0.00 0.00 173.10 174.10 1kyp s ASN 149 N -3.36 3.87 -0.26 1.64 0.01 -1.26 -0.83 114.94 114.75 1kyp s ASN 149 Ca 0.21 -0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 51.82 1kyp s ASN 149 Cb -0.02 -0.56 0.04 0.00 0.41 0.00 0.00 41.25 41.12 1kyp s ASN 149 CO 0.04 0.20 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.07 1kyp s VAL 150 N -1.09 2.75 -0.26 1.60 1.01 0.54 -4.68 120.40 120.27 1kyp s VAL 150 Ca 0.17 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 1kyp s VAL 150 Cb -0.11 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1kyp s VAL 150 CO 0.09 0.11 0.44 -0.31 0.00 0.00 0.00 175.10 175.43 1kyp s TYR 151 N 1.27 3.26 -0.12 5.22 2.02 -1.00 -0.90 117.35 127.11 1kyp s TYR 151 Ca -0.02 0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 57.16 1kyp s TYR 151 Cb -0.18 -2.64 -0.03 0.00 -0.40 0.00 0.00 41.96 38.71 1kyp s TYR 151 CO -0.04 -0.24 0.01 0.42 -1.57 0.00 0.00 175.55 174.13 1kyp s ILE 152 N 2.15 4.41 0.08 2.71 1.01 0.02 -1.82 121.20 129.76 1kyp s ILE 152 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1kyp s ILE 152 Cb -0.16 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1kyp s ILE 152 CO 0.09 0.56 -0.08 0.42 0.00 0.00 0.00 174.94 175.93 1kyp s THR 153 N -0.49 0.76 0.51 2.92 -4.23 -0.31 -2.32 115.64 112.49 1kyp s THR 153 Ca 0.09 -1.57 -0.18 0.00 -1.18 0.00 0.00 61.69 58.84 1kyp s THR 153 Cb -0.12 -1.25 -0.07 0.00 1.34 0.00 0.00 72.50 72.39 1kyp s THR 153 CO 0.02 -0.60 1.02 0.00 -0.54 0.00 0.00 174.62 174.52 1kyp s ALA 154 N -2.50 2.91 -0.61 3.99 0.00 -1.24 -0.91 121.76 123.41 1kyp s ALA 154 Ca 0.03 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.46 1kyp s ALA 154 Cb -0.02 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 20.08 1kyp s ALA 154 CO -0.01 -0.35 0.50 -3.47 0.00 0.00 0.00 175.76 172.43 1kyp n ASP 155 N -1.33 2.14 -0.35 0.00 4.64 -0.11 -4.68 116.55 116.85 1kyp n ASP 155 Ca 0.08 -3.02 -0.00 0.00 -1.38 0.00 0.00 54.79 50.47 1kyp n ASP 155 Cb 0.53 -0.69 0.15 0.00 -1.04 0.00 0.00 41.12 40.07 1kyp n ASP 155 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1kyp h LYS 156 N 5.16 1.23 0.00 -0.67 1.57 -1.96 -1.34 116.57 120.56 1kyp h LYS 156 Ca 0.18 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1kyp h LYS 156 Cb 0.78 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1kyp h LYS 156 CO 0.64 0.81 -0.12 0.37 -0.57 0.00 0.00 179.45 180.58 1kyp h GLN 157 N 1.27 0.00 -0.60 3.15 4.15 -1.94 -1.12 115.11 120.01 1kyp h GLN 157 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1kyp h GLN 157 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1kyp h GLN 157 CO -0.10 0.12 0.00 1.63 -1.93 0.00 0.00 178.83 178.55 1kyp n LYS 158 N -3.69 2.83 -3.62 1.69 5.02 -0.60 -4.95 118.16 114.84 1kyp n LYS 158 Ca -0.02 -2.48 -0.27 0.00 -2.02 0.00 0.00 58.31 53.52 1kyp n LYS 158 Cb 0.24 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1kyp n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1kyp n ASN 159 N 1.24 -5.03 0.00 4.39 5.15 -0.42 -4.62 115.26 115.96 1kyp n ASN 159 Ca 0.20 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 1kyp n ASN 159 Cb 0.57 -4.04 0.00 0.00 -0.53 0.00 0.00 39.78 35.78 1kyp n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kyp n GLY 160 N -1.60 4.31 3.13 8.20 0.00 -0.64 -4.33 105.19 114.26 1kyp n GLY 160 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1kyp n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1kyp s ILE 161 N 0.09 0.19 0.18 -0.61 -4.36 -0.81 -0.94 121.20 114.94 1kyp s ILE 161 Ca 0.00 -1.66 0.08 0.00 -0.26 0.00 0.00 60.65 58.81 1kyp s ILE 161 Cb 0.00 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 1kyp s ILE 161 CO 0.00 -0.85 -0.16 -0.54 0.24 0.00 0.00 174.94 173.63 1kyp s LYS 162 N -3.92 1.26 0.01 0.37 1.02 -0.08 -0.82 119.74 117.58 1kyp s LYS 162 Ca 0.08 -1.46 -0.03 0.00 0.02 0.00 0.00 55.97 54.58 1kyp s LYS 162 Cb 0.07 -1.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.19 1kyp s LYS 162 CO -0.09 0.22 0.05 0.00 -0.92 0.00 0.00 175.35 174.61 1kyp s ALA 163 N -2.45 -0.08 -0.02 5.17 0.00 -0.17 -1.16 121.76 123.05 1kyp s ALA 163 Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1kyp s ALA 163 Cb -0.04 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1kyp s ALA 163 CO 0.06 -0.19 -0.03 -0.80 0.00 0.00 0.00 175.76 174.81 1kyp s ASN 164 N -1.45 0.56 0.05 0.00 -0.87 -0.75 -0.90 114.94 111.58 1kyp s ASN 164 Ca -0.15 -0.07 -0.27 0.00 -1.57 0.00 0.00 52.86 50.80 1kyp s ASN 164 Cb -0.09 -0.19 0.09 0.00 -0.02 0.00 0.00 41.25 41.04 1kyp s ASN 164 CO 0.00 -0.02 0.86 0.72 -2.57 0.00 0.00 177.10 176.10 1kyp s PHE 165 N 0.47 -0.32 -0.27 2.20 -0.71 -0.82 -2.37 117.98 116.15 1kyp s PHE 165 Ca -0.05 0.14 0.01 0.00 -1.04 0.00 0.00 56.93 55.99 1kyp s PHE 165 Cb -0.08 0.56 0.05 0.00 -1.21 0.00 0.00 43.02 42.34 1kyp s PHE 165 CO -0.01 -0.65 -0.07 0.15 -1.34 0.00 0.00 175.22 173.30 1kyp s LYS 166 N -3.25 2.38 0.04 1.99 1.02 -1.26 -0.21 119.74 120.45 1kyp s LYS 166 Ca 0.06 -1.27 -0.20 0.00 0.02 0.00 0.00 55.97 54.58 1kyp s LYS 166 Cb -0.01 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1kyp s LYS 166 CO -0.07 -0.56 0.58 0.42 -0.92 0.00 0.00 175.35 174.80 1kyp s ILE 167 N 1.18 4.80 -0.35 2.17 -1.09 -0.48 -4.94 121.20 122.49 1kyp s ILE 167 Ca -0.07 1.24 -0.03 0.00 -2.23 0.00 0.00 60.65 59.56 1kyp s ILE 167 Cb -0.19 -3.92 0.07 0.00 -1.58 0.00 0.00 42.46 36.84 1kyp s ILE 167 CO -0.04 0.50 0.09 -0.13 -1.23 0.00 0.00 174.94 174.13 1kyp s ARG 168 N -0.75 2.32 -0.15 2.79 0.52 -1.26 -0.45 118.95 121.97 1kyp s ARG 168 Ca 0.30 -1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 53.84 1kyp s ARG 168 Cb -0.19 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1kyp s ARG 168 CO 0.18 -0.79 0.71 -1.01 0.02 0.00 0.00 175.30 174.41 1kyp s HIS 169 N 1.24 3.45 0.11 -0.53 3.76 -0.01 -4.53 115.29 118.79 1kyp s HIS 169 Ca 0.00 1.12 -0.31 0.00 -0.15 0.00 0.00 55.06 55.72 1kyp s HIS 169 Cb -0.21 -2.86 -0.08 0.00 1.11 0.00 0.00 32.58 30.55 1kyp s HIS 169 CO -0.01 -0.10 1.42 -0.80 -0.85 0.00 0.00 174.74 174.40 1kyp s ASN 170 N 1.04 6.79 0.20 1.40 0.01 -1.26 -0.63 114.94 122.49 1kyp s ASN 170 Ca 0.34 2.35 -0.11 0.00 -0.71 0.00 0.00 52.86 54.73 1kyp s ASN 170 Cb -0.17 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.84 1kyp s ASN 170 CO 0.13 -0.69 0.54 -0.63 -1.51 0.00 0.00 177.10 174.95 1kyp s ILE 171 N 1.30 4.92 -0.02 0.60 1.01 -0.02 -1.04 121.20 127.94 1kyp s ILE 171 Ca 0.66 0.58 0.25 0.00 0.00 0.00 0.00 60.65 62.13 1kyp s ILE 171 Cb -0.37 -3.65 0.25 0.00 0.01 0.00 0.00 42.46 38.69 1kyp s ILE 171 CO 0.30 0.04 1.76 1.05 0.00 0.00 0.00 174.94 178.09 1kyp h GLU 172 N 2.90 0.00 -0.38 2.79 4.11 -1.23 -1.33 114.58 121.44 1kyp h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1kyp h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1kyp h GLU 172 CO 0.68 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 1kyp n ASP 173 N -2.39 2.87 0.00 3.06 5.75 -1.26 -4.93 116.55 119.65 1kyp n ASP 173 Ca -0.02 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1kyp n ASP 173 Cb 0.07 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1kyp n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kyp n GLY 174 N 1.38 0.42 0.35 6.12 0.00 -0.50 -5.07 105.19 107.89 1kyp n GLY 174 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1kyp n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kyp n SER 175 N 0.00 0.10 -4.01 1.61 2.88 -1.25 -4.86 113.62 108.09 1kyp n SER 175 Ca 0.00 -1.09 -0.19 0.00 -1.33 0.00 0.00 58.87 56.26 1kyp n SER 175 Cb 0.00 -0.07 -0.15 0.00 -0.75 0.00 0.00 64.21 63.24 1kyp n SER 175 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kyp s VAL 176 N -0.33 0.71 -0.39 2.46 0.11 -1.26 -0.84 120.40 120.86 1kyp s VAL 176 Ca 0.06 -0.36 -0.13 0.00 -2.93 0.00 0.00 61.98 58.62 1kyp s VAL 176 Cb -0.00 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1kyp s VAL 176 CO 0.04 0.21 0.26 -1.58 -3.33 0.00 0.00 175.10 170.70 1kyp s GLN 177 N -0.05 2.92 0.28 1.54 2.00 0.19 -4.90 119.66 121.65 1kyp s GLN 177 Ca 0.01 -1.03 -0.29 0.00 -2.00 0.00 0.00 55.36 52.04 1kyp s GLN 177 Cb -0.05 -3.87 -0.09 0.00 0.80 0.00 0.00 33.01 29.80 1kyp s GLN 177 CO -0.00 -0.72 1.06 -1.17 -0.50 0.00 0.00 175.29 173.96 1kyp s LEU 178 N 1.63 4.55 -0.33 3.68 2.96 -1.26 -0.83 118.68 129.07 1kyp s LEU 178 Ca 0.04 2.18 -0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1kyp s LEU 178 Cb -0.19 -3.66 0.11 0.00 0.50 0.00 0.00 46.19 42.95 1kyp s LEU 178 CO 0.09 -0.09 0.12 0.00 -1.32 0.00 0.00 176.35 175.14 1kyp s ALA 179 N -1.20 1.71 0.01 5.97 0.00 0.40 -1.34 121.76 127.31 1kyp s ALA 179 Ca 0.44 -1.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 1kyp s ALA 179 Cb -0.30 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1kyp s ALA 179 CO 0.38 -1.74 1.27 -0.51 0.00 0.00 0.00 175.76 175.17 1kyp s ASP 180 N 1.37 6.98 -0.16 0.00 1.01 -0.34 -1.39 116.67 124.14 1kyp s ASP 180 Ca 0.11 2.00 -0.04 0.00 0.71 0.00 0.00 52.55 55.34 1kyp s ASP 180 Cb -0.19 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1kyp s ASP 180 CO -0.20 -0.60 -0.04 -1.00 0.21 0.00 0.00 175.17 173.55 1kyp s HIS 181 N 1.83 3.01 -0.14 4.23 3.76 0.71 -0.81 115.29 127.87 1kyp s HIS 181 Ca 0.60 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 55.16 1kyp s HIS 181 Cb -0.29 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1kyp s HIS 181 CO 0.26 -0.10 -0.20 -0.47 -0.85 0.00 0.00 174.74 173.39 1kyp s TYR 182 N 0.50 2.70 0.01 1.40 5.04 -0.63 -1.95 117.35 124.41 1kyp s TYR 182 Ca -0.03 -1.19 0.04 0.00 -2.44 0.00 0.00 57.07 53.45 1kyp s TYR 182 Cb -0.14 -1.83 -0.01 0.00 0.35 0.00 0.00 41.96 40.32 1kyp s TYR 182 CO 0.03 -0.53 -0.12 -1.14 -1.34 0.00 0.00 175.55 172.44 1kyp s GLN 183 N 0.75 0.95 -0.01 4.97 0.74 -0.07 -1.45 119.66 125.52 1kyp s GLN 183 Ca -0.08 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 54.82 1kyp s GLN 183 Cb -0.16 -0.92 -0.00 0.00 1.10 0.00 0.00 33.01 33.03 1kyp s GLN 183 CO 0.00 0.24 -0.09 -0.65 -0.55 0.00 0.00 175.29 174.25 1kyp s GLN 184 N -0.58 0.78 -0.01 1.67 -0.21 -0.20 -1.00 119.66 120.12 1kyp s GLN 184 Ca 0.03 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.15 1kyp s GLN 184 Cb -0.06 -0.75 -0.01 0.00 1.00 0.00 0.00 33.01 33.19 1kyp s GLN 184 CO 0.00 0.16 -0.13 -0.80 -2.12 0.00 0.00 175.29 172.40 1kyp s ASN 185 N -0.05 1.54 0.01 5.90 -0.87 0.00 -0.76 114.94 120.72 1kyp s ASN 185 Ca 0.01 -0.24 -0.00 0.00 -1.57 0.00 0.00 52.86 51.06 1kyp s ASN 185 Cb -0.05 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.25 41.00 1kyp s ASN 185 CO -0.00 0.16 -0.01 0.42 -2.57 0.00 0.00 177.10 175.10 1kyp s THR 186 N -0.31 0.05 0.57 1.60 -4.23 -0.66 -1.93 115.64 110.73 1kyp s THR 186 Ca 0.05 -0.40 -0.19 0.00 -1.18 0.00 0.00 61.69 59.98 1kyp s THR 186 Cb -0.05 -0.13 -0.05 0.00 1.34 0.00 0.00 72.50 73.62 1kyp s THR 186 CO -0.00 -0.22 1.16 -2.16 -0.54 0.00 0.00 174.62 172.86 1kyp s PRO 187 N -0.64 3.17 -0.02 3.99 0.04 -1.26 -0.61 135.00 139.67 1kyp s PRO 187 Ca -0.07 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 1kyp s PRO 187 Cb -0.04 -1.97 -0.28 0.00 0.04 0.00 0.00 34.50 32.24 1kyp s PRO 187 CO -0.00 -1.01 0.77 0.82 0.04 0.00 0.00 177.00 177.61 1kyp h ILE 188 N 1.00 1.05 -2.96 0.56 2.04 -1.16 -3.44 117.51 114.60 1kyp h ILE 188 Ca -0.50 -2.69 -0.46 0.00 1.00 0.00 0.00 64.86 62.21 1kyp h ILE 188 Cb 1.27 2.72 0.11 0.00 -0.74 0.00 0.00 36.82 40.19 1kyp h ILE 188 CO 0.56 0.81 0.23 -0.83 0.00 0.00 0.00 178.15 178.92 1kyp s GLY 189 N -5.05 1.76 0.00 5.37 0.00 -1.26 -5.02 107.32 103.13 1kyp s GLY 189 Ca -0.11 -1.48 0.17 0.00 0.00 0.00 0.00 44.72 43.30 1kyp s GLY 189 CO 0.84 -0.85 1.34 1.22 0.00 0.00 0.00 173.10 175.66 1kyp n ASP 190 N -3.18 3.28 -4.91 1.64 10.43 -1.26 -4.99 116.55 117.55 1kyp n ASP 190 Ca 0.15 -1.96 -0.27 0.00 2.57 0.00 0.00 54.79 55.28 1kyp n ASP 190 Cb 0.60 -0.30 0.01 0.00 1.84 0.00 0.00 41.12 43.27 1kyp n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1kyp s GLY 191 N -1.07 1.54 0.58 0.44 0.00 -1.26 -5.04 107.32 102.51 1kyp s GLY 191 Ca 0.33 -0.59 -0.18 0.00 0.00 0.00 0.00 44.72 44.28 1kyp s GLY 191 CO 0.24 -0.38 1.15 2.56 0.00 0.00 0.00 173.10 176.67 1kyp s PRO 192 N -4.82 3.12 0.29 2.90 0.04 -1.26 -5.04 135.00 130.22 1kyp s PRO 192 Ca 0.50 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.23 1kyp s PRO 192 Cb -0.10 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1kyp s PRO 192 CO 0.45 -1.05 -0.04 0.14 0.04 0.00 0.00 177.00 176.55 1kyp s VAL 193 N -1.82 1.55 -0.20 -0.36 -7.23 -1.26 -4.82 120.40 106.26 1kyp s VAL 193 Ca 0.73 -2.10 -0.20 0.00 -1.81 0.00 0.00 61.98 58.60 1kyp s VAL 193 Cb -0.25 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1kyp s VAL 193 CO 0.32 -0.25 0.60 -0.76 -0.31 0.00 0.00 175.10 174.69 1kyp s LEU 194 N -3.45 4.15 -0.36 1.32 1.43 -1.26 -5.04 118.68 115.47 1kyp s LEU 194 Ca 0.30 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 1kyp s LEU 194 Cb 0.05 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.44 1kyp s LEU 194 CO 0.12 -0.24 0.20 -0.76 0.23 0.00 0.00 176.35 175.90 1kyp s LEU 195 N 1.82 4.55 0.50 1.79 1.43 -1.26 -3.94 118.68 123.57 1kyp s LEU 195 Ca 0.27 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 1kyp s LEU 195 Cb -0.16 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 1kyp s LEU 195 CO 0.10 -0.32 0.91 -2.16 0.23 0.00 0.00 176.35 175.12 1kyp s PRO 196 N 1.61 3.78 0.78 1.29 0.04 -1.26 -4.94 135.00 136.29 1kyp s PRO 196 Ca 0.04 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 1kyp s PRO 196 Cb -0.18 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.20 1kyp s PRO 196 CO 0.07 -0.26 1.10 -0.51 0.04 0.00 0.00 177.00 177.44 1kyp s ASP 197 N -3.45 4.40 0.17 6.66 -0.00 -1.26 -3.71 116.67 119.47 1kyp s ASP 197 Ca 0.55 1.86 -0.34 0.00 -0.00 0.00 0.00 52.55 54.62 1kyp s ASP 197 Cb -0.10 -2.53 -0.14 0.00 -0.00 0.00 0.00 42.92 40.15 1kyp s ASP 197 CO 0.38 -2.11 1.48 0.59 -0.00 0.00 0.00 175.17 175.51 1kyp n ASN 198 N -3.53 2.71 -2.83 0.27 3.02 -1.26 -4.82 115.26 108.82 1kyp n ASN 198 Ca 0.09 1.10 -0.08 0.00 -0.03 0.00 0.00 54.58 55.67 1kyp n ASN 198 Cb 0.53 -1.38 0.03 0.00 -0.61 0.00 0.00 39.78 38.35 1kyp n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kyp n HIS 199 N 2.85 -2.19 -4.19 3.10 1.44 -0.98 -4.72 115.22 110.53 1kyp n HIS 199 Ca 0.16 -1.73 -0.11 0.00 -2.01 0.00 0.00 57.72 54.02 1kyp n HIS 199 Cb 0.28 0.86 -0.10 0.00 0.12 0.00 0.00 29.99 31.15 1kyp n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1kyp s TYR 200 N -2.28 1.01 -0.17 -1.40 -0.85 -0.63 -0.80 117.35 112.22 1kyp s TYR 200 Ca 0.17 -1.12 -0.05 0.00 -0.52 0.00 0.00 57.07 55.54 1kyp s TYR 200 Cb -0.05 -0.58 -0.03 0.00 0.38 0.00 0.00 41.96 41.69 1kyp s TYR 200 CO 0.11 -0.37 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.25 1kyp s LEU 201 N -3.10 3.35 -0.26 -3.49 1.43 -0.07 -1.02 118.68 115.52 1kyp s LEU 201 Ca 0.23 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1kyp s LEU 201 Cb 0.07 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1kyp s LEU 201 CO 0.02 0.14 0.17 -0.44 0.23 0.00 0.00 176.35 176.47 1kyp s SER 202 N 0.57 6.07 0.12 2.29 0.01 0.25 -0.34 113.70 122.67 1kyp s SER 202 Ca -0.01 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.39 1kyp s SER 202 Cb -0.14 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1kyp s SER 202 CO 0.02 0.01 -0.14 0.42 0.41 0.00 0.00 173.24 173.96 1kyp s THR 203 N 1.38 3.06 -0.05 1.44 -4.23 -0.01 -1.38 115.64 115.84 1kyp s THR 203 Ca 0.07 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1kyp s THR 203 Cb -0.15 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1kyp s THR 203 CO 0.07 0.06 0.12 0.00 -0.54 0.00 0.00 174.62 174.34 1kyp s GLN 204 N -2.29 0.13 -0.03 3.99 -2.07 -0.31 -2.58 119.66 116.50 1kyp s GLN 204 Ca 0.20 0.20 -0.01 0.00 -1.82 0.00 0.00 55.36 53.93 1kyp s GLN 204 Cb -0.10 0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.85 1kyp s GLN 204 CO 0.12 -0.04 0.06 -1.12 -1.32 0.00 0.00 175.29 172.99 1kyp s SER 205 N 0.27 -0.03 -0.11 12.60 0.01 -1.26 -1.14 113.70 124.04 1kyp s SER 205 Ca -0.02 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.39 1kyp s SER 205 Cb -0.03 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1kyp s SER 205 CO -0.01 -0.07 -0.19 0.00 0.41 0.00 0.00 173.24 173.38 1kyp s ALA 206 N 0.51 1.93 -0.10 1.44 0.00 0.21 -4.53 121.76 121.22 1kyp s ALA 206 Ca -0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1kyp s ALA 206 Cb -0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1kyp s ALA 206 CO -0.02 0.05 -0.01 -0.51 0.00 0.00 0.00 175.76 175.27 1kyp s LEU 207 N 0.74 3.48 0.00 0.00 1.02 -1.26 -1.26 118.68 121.40 1kyp s LEU 207 Ca -0.11 0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 1kyp s LEU 207 Cb -0.16 -1.80 0.01 0.00 0.02 0.00 0.00 46.19 44.26 1kyp s LEU 207 CO 0.02 0.34 0.39 -1.54 0.02 0.00 0.00 176.35 175.58 1kyp n SER 208 N 2.39 -1.10 -4.28 2.29 3.41 0.01 -4.94 113.62 111.39 1kyp n SER 208 Ca -0.18 -2.41 -0.25 0.00 -0.26 0.00 0.00 58.87 55.77 1kyp n SER 208 Cb 0.53 2.02 -0.13 0.00 -0.26 0.00 0.00 64.21 66.38 1kyp n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kyp s LYS 209 N -2.55 1.22 -0.31 4.33 -0.14 -1.26 -1.53 119.74 119.50 1kyp s LYS 209 Ca 0.21 -1.10 -0.24 0.00 -1.36 0.00 0.00 55.97 53.48 1kyp s LYS 209 Cb -0.01 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.70 1kyp s LYS 209 CO 0.15 0.35 0.84 0.34 -0.76 0.00 0.00 175.35 176.27 1kyp s ASP 210 N -1.67 6.71 0.40 2.83 -1.08 -1.26 -4.93 116.67 117.67 1kyp s ASP 210 Ca 0.07 0.71 0.29 0.00 -0.52 0.00 0.00 52.55 53.10 1kyp s ASP 210 Cb -0.10 -2.43 1.34 0.00 -1.46 0.00 0.00 42.92 40.27 1kyp s ASP 210 CO 0.03 -0.67 1.86 1.55 0.52 0.00 0.00 175.17 178.47 1kyp h PRO 211 N 8.13 0.00 -0.40 4.34 0.13 -2.04 -0.99 132.00 141.17 1kyp h PRO 211 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1kyp h PRO 211 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1kyp h PRO 211 CO 0.91 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 1kyp n ASN 212 N -2.57 3.33 -4.56 1.44 5.03 -1.26 -4.92 115.26 111.76 1kyp n ASN 212 Ca 0.00 -1.97 -0.39 0.00 0.87 0.00 0.00 54.58 53.09 1kyp n ASN 212 Cb 0.18 -0.26 -0.11 0.00 -1.02 0.00 0.00 39.78 38.57 1kyp n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1kyp s GLU 213 N -1.48 3.80 0.17 3.52 2.56 -0.38 -4.97 118.70 121.92 1kyp s GLU 213 Ca 0.39 -0.43 0.23 0.00 0.00 0.00 0.00 54.97 55.17 1kyp s GLU 213 Cb 0.22 -3.67 0.13 0.00 2.00 0.00 0.00 34.13 32.81 1kyp s GLU 213 CO 0.31 -0.26 1.15 0.87 -0.56 0.00 0.00 175.26 176.78 1kyp h LYS 214 N 8.39 0.00 -7.29 4.30 1.57 -1.91 -3.47 116.57 118.16 1kyp h LYS 214 Ca -0.34 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.93 1kyp h LYS 214 Cb 1.18 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.57 1kyp h LYS 214 CO 0.57 0.00 0.37 1.03 -0.57 0.00 0.00 179.45 180.86 1kyp s ARG 215 N -3.28 3.06 0.03 3.15 0.52 -1.26 -4.98 118.95 116.18 1kyp s ARG 215 Ca 0.02 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 1kyp s ARG 215 Cb 0.11 -2.00 -0.07 0.00 0.52 0.00 0.00 34.95 33.51 1kyp s ARG 215 CO 0.76 -1.01 1.50 0.34 0.02 0.00 0.00 175.30 176.92 1kyp s ASP 216 N -3.50 6.75 0.30 0.23 -1.08 -1.26 -4.95 116.67 113.16 1kyp s ASP 216 Ca 0.60 2.27 -0.19 0.00 -0.52 0.00 0.00 52.55 54.70 1kyp s ASP 216 Cb -0.14 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.78 1kyp s ASP 216 CO 0.49 -0.79 0.71 -1.38 0.52 0.00 0.00 175.17 174.73 1kyp s HIS 217 N 2.49 -0.07 -0.08 -5.34 -3.43 -1.26 -0.98 115.29 106.62 1kyp s HIS 217 Ca 0.68 -0.42 -0.04 0.00 -0.80 0.00 0.00 55.06 54.49 1kyp s HIS 217 Cb -0.35 0.68 0.04 0.00 -1.43 0.00 0.00 32.58 31.53 1kyp s HIS 217 CO 0.29 -1.28 0.18 1.41 -2.00 0.00 0.00 174.74 173.33 1kyp s MET 218 N -3.61 0.10 -0.19 -0.38 1.75 0.03 -4.96 119.30 112.04 1kyp s MET 218 Ca 0.13 0.48 -0.13 0.00 -1.25 0.00 0.00 55.69 54.93 1kyp s MET 218 Cb -0.05 -0.18 -0.05 0.00 2.84 0.00 0.00 34.83 37.39 1kyp s MET 218 CO 0.08 -0.22 0.26 0.08 -0.65 0.00 0.00 175.02 174.57 1kyp s VAL 219 N 1.61 5.32 -0.07 10.11 1.01 -0.58 -0.57 120.40 137.23 1kyp s VAL 219 Ca -0.05 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1kyp s VAL 219 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1kyp s VAL 219 CO -0.07 0.37 -0.13 -0.22 0.00 0.00 0.00 175.10 175.06 1kyp s LEU 220 N 0.66 1.65 -0.15 3.92 2.96 0.14 -0.81 118.68 127.05 1kyp s LEU 220 Ca 0.14 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1kyp s LEU 220 Cb -0.13 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.70 1kyp s LEU 220 CO 0.03 0.03 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.69 1kyp s LEU 221 N 0.71 2.28 0.00 -0.68 2.96 -0.39 -1.40 118.68 122.17 1kyp s LEU 221 Ca -0.14 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1kyp s LEU 221 Cb -0.16 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1kyp s LEU 221 CO 0.03 0.07 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.38 1kyp s GLU 222 N 0.88 0.45 -0.08 1.98 2.12 -0.45 -0.62 118.70 122.98 1kyp s GLU 222 Ca -0.05 -0.28 0.04 0.00 0.36 0.00 0.00 54.97 55.04 1kyp s GLU 222 Cb -0.15 -0.40 -0.00 0.00 0.26 0.00 0.00 34.13 33.84 1kyp s GLU 222 CO -0.02 0.11 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.53 1kyp s PHE 223 N -0.33 2.20 -0.03 5.30 0.40 -0.29 -0.82 117.98 124.41 1kyp s PHE 223 Ca 0.00 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 1kyp s PHE 223 Cb -0.03 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.04 1kyp s PHE 223 CO -0.00 -0.31 -0.01 0.08 0.70 0.00 0.00 175.22 175.67 1kyp s VAL 224 N 0.25 0.29 -0.05 -0.44 1.01 -0.30 -1.16 120.40 120.00 1kyp s VAL 224 Ca -0.13 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1kyp s VAL 224 Cb -0.16 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1kyp s VAL 224 CO 0.06 0.17 -0.08 -0.89 0.00 0.00 0.00 175.10 174.36 1kyp s THR 225 N 1.00 0.78 0.36 3.92 2.01 -0.48 -0.91 115.64 122.31 1kyp s THR 225 Ca -0.10 -0.28 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 1kyp s THR 225 Cb -0.14 -0.75 -0.10 0.00 0.01 0.00 0.00 72.50 71.53 1kyp s THR 225 CO -0.01 0.27 0.98 0.00 -0.69 0.00 0.00 174.62 175.17 1kyp s ALA 226 N 0.73 3.15 0.35 7.40 0.00 0.10 -0.59 121.76 132.90 1kyp s ALA 226 Ca -0.12 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 1kyp s ALA 226 Cb -0.14 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1kyp s ALA 226 CO 0.02 0.05 0.69 0.00 0.00 0.00 0.00 175.76 176.52 1kyp s ALA 227 N -1.71 -0.45 0.00 0.00 0.00 -0.19 -4.53 121.76 114.88 1kyp s ALA 227 Ca 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1kyp s ALA 227 Cb -0.18 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1kyp s ALA 227 CO 0.23 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1kyp n GLY 228 N -0.52 0.95 0.00 0.00 0.00 -1.26 -1.61 105.19 102.75 1kyp n GLY 228 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1kyp n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71