#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk8 n THR 7 N 0.00 0.83 0.19 6.66 -2.24 -1.26 -4.22 114.28 114.24 3kk8 n THR 7 Ca 0.00 -1.42 0.06 0.00 -2.27 0.00 0.00 64.05 60.42 3kk8 n THR 7 Cb 0.00 0.35 0.31 0.00 -2.10 0.00 0.00 70.33 68.89 3kk8 n THR 7 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kk8 n LYS 8 N -0.37 0.07 -0.08 -0.78 4.76 -1.26 -2.70 118.16 117.81 3kk8 n LYS 8 Ca 0.09 0.49 -0.09 0.00 -2.87 0.00 0.00 58.31 55.93 3kk8 n LYS 8 Cb 0.82 -1.70 -0.05 0.00 -1.84 0.00 0.00 35.03 32.27 3kk8 n LYS 8 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3kk8 h PHE 9 N 0.00 0.00 0.00 2.13 3.57 -1.94 -3.30 116.94 117.40 3kk8 h PHE 9 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3kk8 h PHE 9 Cb 0.09 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3kk8 h PHE 9 CO 0.00 0.46 -0.20 1.03 -2.23 0.00 0.00 178.31 177.37 3kk8 h SER 10 N -1.00 0.00 0.76 0.41 0.87 -1.81 -0.21 113.55 112.57 3kk8 h SER 10 Ca -0.09 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 3kk8 h SER 10 Cb 0.66 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3kk8 h SER 10 CO -0.05 0.20 -0.21 0.44 -0.53 0.00 0.00 176.83 176.68 3kk8 h ASP 11 N 0.00 0.00 0.00 6.23 3.32 -1.71 -3.35 116.42 120.92 3kk8 h ASP 11 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kk8 h ASP 11 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3kk8 h ASP 11 CO 0.03 0.21 -0.37 0.59 -1.72 0.00 0.00 179.24 177.97 3kk8 n ASN 12 N -3.47 1.02 -4.05 6.45 3.02 -0.49 -4.96 115.26 112.78 3kk8 n ASN 12 Ca -0.00 -0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 53.92 3kk8 n ASN 12 Cb 0.38 1.03 -0.13 0.00 -0.61 0.00 0.00 39.78 40.45 3kk8 n ASN 12 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kk8 s TYR 13 N -1.52 0.81 -0.23 3.10 1.51 -0.21 -0.86 117.35 119.95 3kk8 s TYR 13 Ca 0.01 -0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 55.66 3kk8 s TYR 13 Cb 0.02 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.33 3kk8 s TYR 13 CO 0.14 -0.02 0.26 -0.51 -1.11 0.00 0.00 175.55 174.31 3kk8 s ASP 14 N -0.80 6.22 0.01 2.29 1.01 0.15 -4.65 116.67 120.90 3kk8 s ASP 14 Ca -0.01 0.24 -0.20 0.00 0.71 0.00 0.00 52.55 53.29 3kk8 s ASP 14 Cb -0.06 -2.16 -0.06 0.00 1.01 0.00 0.00 42.92 41.66 3kk8 s ASP 14 CO 0.00 -0.02 0.60 -0.69 0.21 0.00 0.00 175.17 175.27 3kk8 s VAL 15 N 1.31 4.88 0.00 -1.27 1.01 -1.26 -1.01 120.40 124.06 3kk8 s VAL 15 Ca 0.12 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3kk8 s VAL 15 Cb -0.14 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3kk8 s VAL 15 CO 0.07 0.43 0.00 0.29 0.00 0.00 0.00 175.10 175.89 3kk8 n LYS 16 N 2.59 3.62 -2.15 2.72 4.76 0.98 -4.98 118.16 125.71 3kk8 n LYS 16 Ca -0.07 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.03 3kk8 n LYS 16 Cb 0.51 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.71 3kk8 n LYS 16 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kk8 s GLU 17 N 3.77 3.33 0.10 1.97 1.03 -1.26 -4.53 118.70 123.12 3kk8 s GLU 17 Ca 0.00 1.37 -0.31 0.00 0.03 0.00 0.00 54.97 56.06 3kk8 s GLU 17 Cb 0.00 -2.02 -0.09 0.00 -0.80 0.00 0.00 34.13 31.22 3kk8 s GLU 17 CO 0.00 -0.83 1.57 -2.00 -1.33 0.00 0.00 175.26 172.68 3kk8 s GLU 18 N -3.71 4.22 -0.08 -4.83 2.12 -1.26 -1.41 118.70 113.75 3kk8 s GLU 18 Ca 0.67 2.29 0.19 0.00 0.36 0.00 0.00 54.97 58.48 3kk8 s GLU 18 Cb -0.19 -3.40 -0.25 0.00 0.26 0.00 0.00 34.13 30.55 3kk8 s GLU 18 CO 0.32 -0.64 0.38 1.28 -0.54 0.00 0.00 175.26 176.06 3kk8 n LEU 19 N 4.81 0.21 -3.61 2.70 4.77 0.15 -4.91 117.00 121.13 3kk8 n LEU 19 Ca 0.14 0.09 0.01 0.00 -0.03 0.00 0.00 56.01 56.23 3kk8 n LEU 19 Cb 0.40 0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3kk8 n LEU 19 CO 0.61 0.25 1.08 -0.83 -1.33 0.00 0.00 177.39 177.17 3kk8 s GLY 20 N -5.01 -0.40 0.00 -0.72 0.00 -1.07 -4.98 107.32 95.13 3kk8 s GLY 20 Ca -0.08 0.89 -0.10 0.00 0.00 0.00 0.00 44.72 45.43 3kk8 s GLY 20 CO 0.85 0.20 0.19 -1.59 0.00 0.00 0.00 173.10 172.75 3kk8 s LYS 21 N -2.37 0.55 0.00 2.90 -2.85 -1.26 -0.81 119.74 115.91 3kk8 s LYS 21 Ca 0.13 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 3kk8 s LYS 21 Cb 0.04 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 3kk8 s LYS 21 CO -0.04 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.68 3kk8 n GLY 22 N 1.34 4.76 3.68 0.59 0.00 -0.00 -4.99 105.19 110.57 3kk8 n GLY 22 Ca -0.22 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3kk8 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk8 s ALA 23 N -2.00 3.62 0.00 4.61 0.00 -1.26 -3.33 121.76 123.40 3kk8 s ALA 23 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3kk8 s ALA 23 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3kk8 s ALA 23 CO 0.00 -1.06 0.00 1.19 0.00 0.00 0.00 175.76 175.89 3kk8 n PHE 24 N 5.79 0.00 -3.65 0.00 3.01 -1.26 -4.96 117.46 116.39 3kk8 n PHE 24 Ca 0.15 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.49 3kk8 n PHE 24 Cb 0.43 -0.76 -0.05 0.00 -0.01 0.00 0.00 39.48 39.08 3kk8 n PHE 24 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3kk8 s SER 25 N -2.24 -0.26 0.07 4.37 1.04 -1.21 -1.16 113.70 114.31 3kk8 s SER 25 Ca 0.00 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.32 3kk8 s SER 25 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3kk8 s SER 25 CO 0.00 -0.75 -0.10 0.54 0.98 0.00 0.00 173.24 173.91 3kk8 s VAL 26 N -3.09 0.84 -0.15 5.02 0.11 -0.80 -0.82 120.40 121.51 3kk8 s VAL 26 Ca -0.01 -1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 57.67 3kk8 s VAL 26 Cb 0.00 -1.02 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3kk8 s VAL 26 CO -0.07 -0.41 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.47 3kk8 s VAL 27 N -1.78 2.95 0.03 2.04 1.01 0.01 -0.22 120.40 124.44 3kk8 s VAL 27 Ca -0.02 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3kk8 s VAL 27 Cb -0.07 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3kk8 s VAL 27 CO 0.01 0.51 -0.18 -0.13 0.00 0.00 0.00 175.10 175.30 3kk8 s ARG 28 N 0.70 1.28 0.49 2.72 0.52 -0.27 0.31 118.95 124.70 3kk8 s ARG 28 Ca -0.06 -0.82 -0.22 0.00 -0.52 0.00 0.00 55.73 54.10 3kk8 s ARG 28 Cb -0.15 -1.33 -0.06 0.00 0.52 0.00 0.00 34.95 33.92 3kk8 s ARG 28 CO 0.02 0.34 1.23 0.50 0.02 0.00 0.00 175.30 177.42 3kk8 s ARG 29 N -1.00 3.51 0.14 3.54 3.52 -0.50 -0.44 118.95 127.73 3kk8 s ARG 29 Ca 0.06 1.93 -0.07 0.00 -0.13 0.00 0.00 55.73 57.53 3kk8 s ARG 29 Cb -0.08 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 3kk8 s ARG 29 CO 0.01 -0.80 0.20 0.00 -0.81 0.00 0.00 175.30 173.90 3kk8 s VAL 31 N -3.96 0.97 0.15 0.00 1.01 -0.18 -0.93 120.40 117.45 3kk8 s VAL 31 Ca 0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3kk8 s VAL 31 Cb 0.05 -0.94 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 3kk8 s VAL 31 CO -0.02 0.33 1.27 -2.28 0.00 0.00 0.00 175.10 174.41 3kk8 s HIS 32 N 1.12 3.34 0.06 5.22 2.46 0.68 -0.67 115.29 127.50 3kk8 s HIS 32 Ca -0.06 1.23 -0.17 0.00 0.47 0.00 0.00 55.06 56.53 3kk8 s HIS 32 Cb -0.14 -3.54 -0.16 0.00 -0.13 0.00 0.00 32.58 28.61 3kk8 s HIS 32 CO -0.01 -1.69 1.27 0.87 -2.47 0.00 0.00 174.74 172.71 3kk8 h LYS 33 N 5.94 0.59 0.00 2.88 1.57 -1.34 0.18 116.57 126.39 3kk8 h LYS 33 Ca -0.43 -0.45 -0.11 0.00 -1.87 0.00 0.00 60.65 57.79 3kk8 h LYS 33 Cb 1.21 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 3kk8 h LYS 33 CO 0.79 1.07 -0.76 1.79 -0.57 0.00 0.00 179.45 181.77 3kk8 h THR 34 N 0.24 0.63 0.00 -0.16 1.35 -1.92 -3.35 112.91 109.70 3kk8 h THR 34 Ca -0.02 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 3kk8 h THR 34 Cb 1.14 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 3kk8 h THR 34 CO 0.11 0.36 -1.68 0.35 -0.25 0.00 0.00 175.52 174.41 3kk8 n THR 35 N -3.08 0.00 -0.96 6.82 -2.24 -1.23 -5.01 114.28 108.58 3kk8 n THR 35 Ca -0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3kk8 n THR 35 Cb 0.73 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3kk8 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kk8 n GLY 36 N 1.52 0.72 3.79 3.38 0.00 0.62 -5.01 105.19 110.21 3kk8 n GLY 36 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3kk8 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kk8 s LEU 37 N 0.00 3.97 0.07 0.99 1.43 -1.25 -4.64 118.68 119.25 3kk8 s LEU 37 Ca 0.00 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 3kk8 s LEU 37 Cb 0.00 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3kk8 s LEU 37 CO 0.00 -0.72 0.21 -1.61 0.23 0.00 0.00 176.35 174.46 3kk8 s GLU 38 N -2.88 3.41 0.30 1.70 2.02 -1.26 -0.23 118.70 121.75 3kk8 s GLU 38 Ca 0.64 -0.47 -0.09 0.00 0.02 0.00 0.00 54.97 55.07 3kk8 s GLU 38 Cb -0.21 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.01 3kk8 s GLU 38 CO 0.25 0.60 0.51 -0.06 0.02 0.00 0.00 175.26 176.58 3kk8 s PHE 39 N -1.52 0.60 -0.20 1.61 0.08 -0.11 -4.51 117.98 113.93 3kk8 s PHE 39 Ca 0.35 -0.95 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 3kk8 s PHE 39 Cb -0.13 0.15 -0.01 0.00 -0.57 0.00 0.00 43.02 42.47 3kk8 s PHE 39 CO 0.28 -1.11 -0.07 0.00 -0.10 0.00 0.00 175.22 174.22 3kk8 s ALA 40 N -3.48 2.73 -0.26 5.36 0.00 -0.37 -1.09 121.76 124.66 3kk8 s ALA 40 Ca 0.25 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 3kk8 s ALA 40 Cb -0.01 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 3kk8 s ALA 40 CO 0.13 -0.29 0.23 0.00 0.00 0.00 0.00 175.76 175.83 3kk8 s ALA 41 N 1.24 3.57 -0.27 0.00 0.00 0.42 -0.88 121.76 125.83 3kk8 s ALA 41 Ca 0.03 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 3kk8 s ALA 41 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 3kk8 s ALA 41 CO -0.03 -0.43 0.60 0.21 0.00 0.00 0.00 175.76 176.11 3kk8 s LYS 42 N 1.53 4.02 -0.27 0.00 2.20 0.25 -1.12 119.74 126.36 3kk8 s LYS 42 Ca 0.10 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 56.04 3kk8 s LYS 42 Cb -0.15 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 3kk8 s LYS 42 CO 0.08 -0.45 0.04 0.42 -0.36 0.00 0.00 175.35 175.08 3kk8 s ILE 43 N 2.48 3.75 -0.14 5.43 1.01 0.69 -1.12 121.20 133.31 3kk8 s ILE 43 Ca 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3kk8 s ILE 43 Cb -0.15 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 3kk8 s ILE 43 CO 0.10 0.18 -0.15 -0.63 0.00 0.00 0.00 174.94 174.44 3kk8 s ILE 44 N 1.48 2.80 -0.55 2.92 1.01 0.14 -1.90 121.20 127.11 3kk8 s ILE 44 Ca 0.03 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 59.66 3kk8 s ILE 44 Cb -0.16 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3kk8 s ILE 44 CO 0.01 0.52 1.47 0.21 0.00 0.00 0.00 174.94 177.15 3kk8 s ASN 45 N 0.56 6.04 0.24 3.58 3.84 -0.31 -0.74 114.94 128.15 3kk8 s ASN 45 Ca -0.09 0.34 0.24 0.00 0.21 0.00 0.00 52.86 53.56 3kk8 s ASN 45 Cb -0.16 -2.54 0.36 0.00 -0.55 0.00 0.00 41.25 38.36 3kk8 s ASN 45 CO 0.04 -1.77 1.43 0.74 -2.79 0.00 0.00 177.10 174.75 3kk8 h THR 46 N 6.44 0.00 0.00 -5.21 2.02 -1.43 -3.18 112.91 111.56 3kk8 h THR 46 Ca -0.27 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3kk8 h THR 46 Cb 1.10 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3kk8 h THR 46 CO 1.17 0.00 0.00 2.29 0.37 0.00 0.00 175.52 179.35 3kk8 n LYS 47 N -2.54 0.24 -0.12 6.66 2.85 -1.25 -3.20 118.16 120.81 3kk8 n LYS 47 Ca 0.03 0.26 0.07 0.00 -1.05 0.00 0.00 58.31 57.62 3kk8 n LYS 47 Cb 0.49 -1.82 0.13 0.00 -0.65 0.00 0.00 35.03 33.18 3kk8 n LYS 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kk8 n LYS 48 N -2.24 1.94 -2.97 -1.58 5.02 -1.20 -4.97 118.16 112.15 3kk8 n LYS 48 Ca 0.05 -1.77 -0.40 0.00 -2.02 0.00 0.00 58.31 54.17 3kk8 n LYS 48 Cb 0.38 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 3kk8 n LYS 48 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kk8 s LEU 49 N -1.07 4.50 0.67 -0.35 1.43 -1.20 -5.05 118.68 117.62 3kk8 s LEU 49 Ca 0.23 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 3kk8 s LEU 49 Cb 0.13 -3.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.08 3kk8 s LEU 49 CO 0.18 0.08 1.06 -0.94 0.23 0.00 0.00 176.35 176.97 3kk8 s SER 50 N -0.45 5.44 0.35 2.29 1.04 -1.26 -4.81 113.70 116.30 3kk8 s SER 50 Ca 0.38 1.67 0.10 0.00 0.48 0.00 0.00 55.95 58.58 3kk8 s SER 50 Cb -0.22 -2.51 0.85 0.00 0.10 0.00 0.00 66.02 64.25 3kk8 s SER 50 CO 0.24 -1.40 1.82 0.00 0.98 0.00 0.00 173.24 174.88 3kk8 h ALA 51 N -0.45 1.87 -0.18 5.32 0.00 -1.99 0.13 119.26 123.96 3kk8 h ALA 51 Ca -0.44 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 3kk8 h ALA 51 Cb 1.21 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kk8 h ALA 51 CO 0.57 -0.18 -0.68 -0.09 0.00 0.00 0.00 179.25 178.87 3kk8 h ARG 52 N 0.66 0.78 -0.99 0.00 2.43 -1.99 -1.34 114.38 113.93 3kk8 h ARG 52 Ca 0.52 -0.60 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3kk8 h ARG 52 Cb 0.93 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.54 3kk8 h ARG 52 CO -0.27 1.21 0.65 -0.44 -1.51 0.00 0.00 179.97 179.60 3kk8 h ASP 53 N 0.51 1.07 -0.23 -3.80 3.32 -1.31 -0.08 116.42 115.90 3kk8 h ASP 53 Ca -0.03 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3kk8 h ASP 53 Cb 1.31 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 3kk8 h ASP 53 CO 0.14 0.73 -0.24 0.15 -1.72 0.00 0.00 179.24 178.30 3kk8 h PHE 54 N 1.24 0.69 -0.99 4.55 3.57 -0.79 -1.06 116.94 124.14 3kk8 h PHE 54 Ca 0.40 -0.21 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3kk8 h PHE 54 Cb 0.02 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.54 3kk8 h PHE 54 CO -0.00 0.91 0.64 0.37 -2.23 0.00 0.00 178.31 178.00 3kk8 h GLN 55 N 0.27 1.05 -0.25 1.11 4.15 -0.63 -0.42 115.11 120.40 3kk8 h GLN 55 Ca 0.04 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 3kk8 h GLN 55 Cb 0.80 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 3kk8 h GLN 55 CO 0.06 0.70 -0.43 -0.22 -1.93 0.00 0.00 178.83 177.01 3kk8 h LYS 56 N 1.09 0.61 -0.33 1.69 3.64 -0.70 -1.96 116.57 120.60 3kk8 h LYS 56 Ca 0.45 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3kk8 h LYS 56 Cb 0.31 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3kk8 h LYS 56 CO -0.21 0.92 0.06 1.25 -2.27 0.00 0.00 179.45 179.21 3kk8 h LEU 57 N 0.49 0.52 -0.39 5.20 5.85 -0.50 -0.49 115.31 126.00 3kk8 h LEU 57 Ca 0.04 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3kk8 h LEU 57 Cb 0.95 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3kk8 h LEU 57 CO 0.09 0.64 0.24 -0.33 -0.34 0.00 0.00 178.44 178.73 3kk8 h GLU 58 N 0.38 0.53 -0.45 1.25 5.08 -1.01 -0.91 114.58 119.46 3kk8 h GLU 58 Ca 0.10 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3kk8 h GLU 58 Cb 0.34 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3kk8 h GLU 58 CO 0.01 0.40 0.09 -0.09 -1.00 0.00 0.00 179.01 178.42 3kk8 h ARG 59 N 0.52 0.72 -0.39 2.33 2.43 -1.26 -1.58 114.38 117.15 3kk8 h ARG 59 Ca 0.14 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3kk8 h ARG 59 Cb 0.00 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3kk8 h ARG 59 CO -0.03 0.73 -0.25 1.49 -1.51 0.00 0.00 179.97 180.41 3kk8 h GLU 60 N 0.59 0.79 -0.37 0.20 4.81 -0.83 -0.86 114.58 118.91 3kk8 h GLU 60 Ca 0.14 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.88 3kk8 h GLU 60 Cb 0.34 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3kk8 h GLU 60 CO 0.00 0.95 -0.36 0.00 -0.73 0.00 0.00 179.01 178.88 3kk8 h ALA 61 N 1.03 0.65 -0.17 2.92 0.00 -1.07 0.24 119.26 122.88 3kk8 h ALA 61 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3kk8 h ALA 61 Cb 0.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kk8 h ALA 61 CO 0.06 0.67 0.01 -0.09 0.00 0.00 0.00 179.25 179.90 3kk8 h ARG 62 N 0.72 0.29 -0.43 0.00 2.43 -1.06 -0.62 114.38 115.70 3kk8 h ARG 62 Ca 0.06 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3kk8 h ARG 62 Cb 0.94 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3kk8 h ARG 62 CO 0.09 0.50 0.10 0.82 -1.51 0.00 0.00 179.97 179.96 3kk8 h ILE 63 N 0.04 1.23 -0.06 1.20 2.04 -1.11 -3.07 117.51 117.78 3kk8 h ILE 63 Ca 0.05 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 3kk8 h ILE 63 Cb 0.36 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3kk8 h ILE 63 CO 0.01 0.29 -0.35 0.00 0.00 0.00 0.00 178.15 178.09 3kk8 h ARG 65 N 0.11 0.00 0.00 0.00 9.65 -1.01 -2.67 114.38 120.46 3kk8 h ARG 65 Ca 0.01 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 3kk8 h ARG 65 Cb 0.68 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 3kk8 h ARG 65 CO 0.05 0.35 -0.37 0.87 2.80 0.00 0.00 179.97 183.67 3kk8 h LYS 66 N 0.00 0.00 -5.14 0.20 1.57 -1.49 -3.44 116.57 108.27 3kk8 h LYS 66 Ca -0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3kk8 h LYS 66 Cb 0.75 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.89 3kk8 h LYS 66 CO 0.05 0.37 -0.06 -0.51 -0.57 0.00 0.00 179.45 178.73 3kk8 s LEU 67 N -6.78 4.62 -0.29 2.94 1.43 -1.01 -5.00 118.68 114.60 3kk8 s LEU 67 Ca 0.02 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3kk8 s LEU 67 Cb 0.10 -2.55 0.09 0.00 0.03 0.00 0.00 46.19 43.86 3kk8 s LEU 67 CO 0.69 -0.63 0.06 -1.10 0.23 0.00 0.00 176.35 175.60 3kk8 s GLN 68 N 2.43 1.00 -0.08 1.70 -1.52 -1.26 -4.72 119.66 117.21 3kk8 s GLN 68 Ca 0.17 -1.13 -0.21 0.00 -1.95 0.00 0.00 55.36 52.24 3kk8 s GLN 68 Cb -0.16 -2.32 0.05 0.00 -0.22 0.00 0.00 33.01 30.36 3kk8 s GLN 68 CO 0.16 -0.87 0.49 -1.58 -0.25 0.00 0.00 175.29 173.23 3kk8 s HIS 69 N 1.48 -0.44 -0.03 0.91 2.46 -1.26 -5.04 115.29 113.36 3kk8 s HIS 69 Ca 0.06 0.86 0.29 0.00 0.47 0.00 0.00 55.06 56.74 3kk8 s HIS 69 Cb -0.18 0.22 1.44 0.00 -0.13 0.00 0.00 32.58 33.94 3kk8 s HIS 69 CO -0.17 -0.43 1.87 -1.00 -2.47 0.00 0.00 174.74 172.54 3kk8 h PRO 70 N 4.01 0.00 -0.51 2.88 0.13 -1.99 -2.10 132.00 134.42 3kk8 h PRO 70 Ca -0.28 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 3kk8 h PRO 70 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 3kk8 h PRO 70 CO 0.33 0.00 0.12 0.09 -0.23 0.00 0.00 178.00 178.32 3kk8 n ASN 71 N -2.53 3.68 -4.15 1.44 4.13 -1.26 -4.86 115.26 111.70 3kk8 n ASN 71 Ca -0.01 -3.39 -0.26 0.00 1.68 0.00 0.00 54.58 52.60 3kk8 n ASN 71 Cb 0.11 -0.66 -0.16 0.00 -1.54 0.00 0.00 39.78 37.53 3kk8 n ASN 71 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kk8 s ILE 72 N -3.07 1.45 -0.35 2.41 1.01 -0.79 -0.66 121.20 121.20 3kk8 s ILE 72 Ca 0.48 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 3kk8 s ILE 72 Cb 0.41 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 3kk8 s ILE 72 CO 0.07 0.41 1.79 -0.69 0.00 0.00 0.00 174.94 176.53 3kk8 s VAL 73 N -0.14 3.48 0.26 2.92 1.01 -0.21 -4.74 120.40 122.97 3kk8 s VAL 73 Ca 0.00 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.26 3kk8 s VAL 73 Cb -0.10 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 3kk8 s VAL 73 CO 0.01 -0.45 0.78 -0.13 0.00 0.00 0.00 175.10 175.32 3kk8 s ARG 74 N 5.70 4.31 -0.28 2.72 0.52 -1.26 -4.79 118.95 125.86 3kk8 s ARG 74 Ca 0.79 0.96 -0.12 0.00 -0.52 0.00 0.00 55.73 56.84 3kk8 s ARG 74 Cb -0.22 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 3kk8 s ARG 74 CO 0.33 0.34 0.25 -1.17 0.02 0.00 0.00 175.30 175.06 3kk8 s LEU 75 N -2.10 4.06 -0.15 2.53 2.96 -1.26 -0.72 118.68 124.00 3kk8 s LEU 75 Ca 0.46 0.04 0.19 0.00 -0.22 0.00 0.00 54.13 54.60 3kk8 s LEU 75 Cb -0.16 -2.21 -0.26 0.00 0.50 0.00 0.00 46.19 44.05 3kk8 s LEU 75 CO 0.21 -0.10 0.21 1.41 -1.32 0.00 0.00 176.35 176.75 3kk8 n HIS 76 N 5.14 0.07 -3.57 5.38 8.25 0.10 -4.72 115.22 125.87 3kk8 n HIS 76 Ca -0.12 0.02 -0.17 0.00 -0.26 0.00 0.00 57.72 57.20 3kk8 n HIS 76 Cb 0.51 -0.90 -0.06 0.00 1.12 0.00 0.00 29.99 30.66 3kk8 n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kk8 s ASP 77 N -5.31 -0.54 -0.15 0.41 -1.08 -1.17 -4.99 116.67 103.84 3kk8 s ASP 77 Ca -0.09 0.52 -0.04 0.00 -0.52 0.00 0.00 52.55 52.42 3kk8 s ASP 77 Cb 0.08 0.49 0.05 0.00 -1.46 0.00 0.00 42.92 42.08 3kk8 s ASP 77 CO 0.85 -0.59 0.07 -0.55 0.52 0.00 0.00 175.17 175.47 3kk8 s SER 78 N -1.32 2.21 -0.14 -0.34 0.15 -1.26 -1.02 113.70 111.99 3kk8 s SER 78 Ca -0.11 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.03 3kk8 s SER 78 Cb -0.01 -0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.03 3kk8 s SER 78 CO 0.07 -0.32 -0.11 -0.63 1.20 0.00 0.00 173.24 173.46 3kk8 s ILE 79 N 2.09 1.32 -0.30 6.45 1.01 0.30 -4.97 121.20 127.10 3kk8 s ILE 79 Ca 0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 3kk8 s ILE 79 Cb -0.15 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 3kk8 s ILE 79 CO -0.08 0.39 0.46 -1.58 0.00 0.00 0.00 174.94 174.13 3kk8 s GLN 80 N 1.59 3.87 0.05 2.79 2.00 -1.26 -0.38 119.66 128.31 3kk8 s GLN 80 Ca 0.04 0.02 0.01 0.00 -2.00 0.00 0.00 55.36 53.43 3kk8 s GLN 80 Cb -0.13 -3.72 0.01 0.00 0.80 0.00 0.00 33.01 29.97 3kk8 s GLN 80 CO -0.09 -0.44 0.07 -1.91 -0.50 0.00 0.00 175.29 172.42 3kk8 n GLU 81 N 5.53 1.03 0.03 1.67 2.13 0.04 -2.89 120.64 128.18 3kk8 n GLU 81 Ca -0.06 -0.30 -0.04 0.00 0.66 0.00 0.00 57.16 57.43 3kk8 n GLU 81 Cb 0.50 -0.01 -0.02 0.00 0.27 0.00 0.00 31.44 32.17 3kk8 n GLU 81 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3kk8 h GLU 82 N 0.00 -0.16 -0.01 5.31 4.57 -1.98 -3.34 114.58 118.97 3kk8 h GLU 82 Ca -0.03 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3kk8 h GLU 82 Cb 0.12 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3kk8 h GLU 82 CO 0.04 -0.11 -0.23 -1.13 -1.18 0.00 0.00 179.01 176.40 3kk8 n SER 83 N -3.03 1.14 -4.23 1.04 3.41 -1.26 -4.95 113.62 105.74 3kk8 n SER 83 Ca -0.02 -1.07 -0.26 0.00 -0.26 0.00 0.00 58.87 57.26 3kk8 n SER 83 Cb 0.09 0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 3kk8 n SER 83 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kk8 s PHE 84 N -1.40 1.79 -0.06 7.33 0.40 -1.26 -1.08 117.98 123.70 3kk8 s PHE 84 Ca 0.08 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 3kk8 s PHE 84 Cb 0.08 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 3kk8 s PHE 84 CO 0.26 0.03 -0.02 -1.58 0.70 0.00 0.00 175.22 174.61 3kk8 s HIS 85 N -0.63 3.07 -0.17 0.36 2.46 0.08 -0.78 115.29 119.69 3kk8 s HIS 85 Ca 0.07 0.12 0.01 0.00 0.47 0.00 0.00 55.06 55.73 3kk8 s HIS 85 Cb -0.08 -1.74 0.02 0.00 -0.13 0.00 0.00 32.58 30.65 3kk8 s HIS 85 CO 0.00 0.43 -0.19 0.71 -2.47 0.00 0.00 174.74 173.22 3kk8 s TYR 86 N -0.91 2.63 -0.24 3.88 1.51 0.48 -0.68 117.35 124.02 3kk8 s TYR 86 Ca 0.14 -1.50 -0.05 0.00 -1.01 0.00 0.00 57.07 54.65 3kk8 s TYR 86 Cb -0.11 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3kk8 s TYR 86 CO 0.04 -0.74 0.00 -0.51 -1.11 0.00 0.00 175.55 173.23 3kk8 s LEU 87 N 1.24 3.21 -0.42 -1.29 1.43 -0.27 -0.54 118.68 122.03 3kk8 s LEU 87 Ca 0.03 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 3kk8 s LEU 87 Cb -0.13 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.35 3kk8 s LEU 87 CO -0.10 -0.07 0.29 -0.69 0.23 0.00 0.00 176.35 176.01 3kk8 s VAL 88 N 1.49 4.79 0.37 -1.59 1.01 -0.18 -0.58 120.40 125.71 3kk8 s VAL 88 Ca 0.05 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3kk8 s VAL 88 Cb -0.15 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3kk8 s VAL 88 CO -0.01 -0.43 0.25 -0.36 0.00 0.00 0.00 175.10 174.56 3kk8 s PHE 89 N 1.57 2.76 0.31 5.22 0.08 -0.06 0.02 117.98 127.87 3kk8 s PHE 89 Ca 0.03 -0.41 -0.28 0.00 0.12 0.00 0.00 56.93 56.40 3kk8 s PHE 89 Cb -0.22 -1.86 -0.13 0.00 -0.57 0.00 0.00 43.02 40.24 3kk8 s PHE 89 CO 0.06 0.16 1.06 -0.25 -0.10 0.00 0.00 175.22 176.15 3kk8 n ASP 90 N -1.33 1.57 -4.69 1.36 10.43 0.10 -1.24 116.55 122.75 3kk8 n ASP 90 Ca -0.01 1.17 -0.41 0.00 2.57 0.00 0.00 54.79 58.11 3kk8 n ASP 90 Cb 0.61 -1.33 -0.04 0.00 1.84 0.00 0.00 41.12 42.20 3kk8 n ASP 90 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3kk8 s LEU 91 N 0.07 4.25 -0.04 0.64 2.96 -1.26 -4.17 118.68 121.13 3kk8 s LEU 91 Ca 0.58 1.26 0.05 0.00 -0.22 0.00 0.00 54.13 55.81 3kk8 s LEU 91 Cb -0.66 -3.25 -0.01 0.00 0.50 0.00 0.00 46.19 42.78 3kk8 s LEU 91 CO 0.60 -0.29 -0.19 0.68 -1.32 0.00 0.00 176.35 175.83 3kk8 s VAL 92 N 1.56 1.58 0.00 1.68 -7.23 -1.26 -4.95 120.40 111.77 3kk8 s VAL 92 Ca 0.40 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 3kk8 s VAL 92 Cb -0.18 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.42 3kk8 s VAL 92 CO 0.17 0.45 0.67 0.35 -0.31 0.00 0.00 175.10 176.43 3kk8 n THR 93 N 2.94 0.45 1.21 5.32 -2.24 -0.40 -4.74 114.28 116.81 3kk8 n THR 93 Ca -0.17 -0.60 0.13 0.00 -2.27 0.00 0.00 64.05 61.13 3kk8 n THR 93 Cb 0.53 0.87 0.32 0.00 -2.10 0.00 0.00 70.33 69.95 3kk8 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kk8 n GLY 94 N -0.22 -0.49 0.00 3.38 0.00 -0.22 -4.42 105.19 103.21 3kk8 n GLY 94 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3kk8 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk8 n GLY 95 N 1.35 -1.29 3.78 -0.02 0.00 -1.25 -4.53 105.19 103.24 3kk8 n GLY 95 Ca 0.12 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 3kk8 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kk8 s GLU 96 N -1.38 3.75 0.38 1.61 2.02 -1.26 -0.59 118.70 123.23 3kk8 s GLU 96 Ca 0.00 1.58 0.07 0.00 0.02 0.00 0.00 54.97 56.64 3kk8 s GLU 96 Cb 0.00 -2.25 0.79 0.00 0.10 0.00 0.00 34.13 32.77 3kk8 s GLU 96 CO 0.00 -0.52 1.97 1.25 0.02 0.00 0.00 175.26 177.99 3kk8 h LEU 97 N 1.80 0.60 -0.58 1.80 5.85 -0.38 -1.50 115.31 122.90 3kk8 h LEU 97 Ca -0.49 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.35 3kk8 h LEU 97 Cb 1.24 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 42.03 3kk8 h LEU 97 CO 0.59 0.39 -0.13 0.15 -0.34 0.00 0.00 178.44 179.10 3kk8 h PHE 98 N 0.69 -0.28 -0.10 1.25 3.57 -1.55 -0.54 116.94 119.98 3kk8 h PHE 98 Ca 0.29 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 3kk8 h PHE 98 Cb 0.26 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3kk8 h PHE 98 CO -0.00 -0.24 -0.44 0.93 -2.23 0.00 0.00 178.31 176.33 3kk8 h GLU 99 N 0.01 0.23 -0.29 1.11 4.39 -1.60 -2.08 114.58 116.35 3kk8 h GLU 99 Ca 0.28 -0.11 -0.19 0.00 0.34 0.00 0.00 59.36 59.68 3kk8 h GLU 99 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3kk8 h GLU 99 CO -0.59 0.63 -0.55 0.22 -1.16 0.00 0.00 179.01 177.56 3kk8 h ASP 100 N 0.19 0.98 -0.13 1.42 3.58 -0.95 -1.06 116.42 120.44 3kk8 h ASP 100 Ca 0.01 -0.53 0.02 0.00 0.42 0.00 0.00 57.03 56.96 3kk8 h ASP 100 Cb 0.85 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 3kk8 h ASP 100 CO 0.07 1.33 0.00 0.40 -2.88 0.00 0.00 179.24 178.15 3kk8 h ILE 101 N 0.67 0.91 -0.24 2.25 2.04 -0.97 -0.80 117.51 121.38 3kk8 h ILE 101 Ca 0.01 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3kk8 h ILE 101 Cb 1.16 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3kk8 h ILE 101 CO 0.12 0.01 0.02 0.58 0.00 0.00 0.00 178.15 178.88 3kk8 h VAL 102 N 0.05 0.85 -0.70 1.67 2.07 -1.29 0.33 116.25 119.23 3kk8 h VAL 102 Ca 0.06 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3kk8 h VAL 102 Cb 0.07 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3kk8 h VAL 102 CO -0.10 0.02 0.31 0.00 0.02 0.00 0.00 177.57 177.81 3kk8 h ALA 103 N 1.19 1.22 -0.00 1.67 0.00 -1.06 -2.94 119.26 119.33 3kk8 h ALA 103 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kk8 h ALA 103 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kk8 h ALA 103 CO -0.17 0.58 -0.48 0.54 0.00 0.00 0.00 179.25 179.73 3kk8 n ARG 104 N -4.31 0.29 0.00 0.00 1.74 -0.32 -4.97 116.66 109.09 3kk8 n ARG 104 Ca 0.06 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3kk8 n ARG 104 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3kk8 n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kk8 n GLU 105 N -1.19 0.00 -3.84 5.56 1.02 0.11 -4.77 120.64 117.53 3kk8 n GLU 105 Ca 0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 3kk8 n GLU 105 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.74 3kk8 n GLU 105 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3kk8 s PHE 106 N 0.00 -0.18 -0.01 -0.32 -0.12 -1.26 -3.87 117.98 112.23 3kk8 s PHE 106 Ca 0.00 -0.26 -0.00 0.00 -0.05 0.00 0.00 56.93 56.62 3kk8 s PHE 106 Cb 0.00 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 3kk8 s PHE 106 CO 0.00 -1.20 0.07 0.71 -0.05 0.00 0.00 175.22 174.74 3kk8 s TYR 107 N -3.91 3.25 0.99 3.49 4.12 0.74 -5.04 117.35 120.99 3kk8 s TYR 107 Ca 0.11 0.19 -0.11 0.00 0.02 0.00 0.00 57.07 57.28 3kk8 s TYR 107 Cb -0.05 -1.73 0.17 0.00 -1.52 0.00 0.00 41.96 38.82 3kk8 s TYR 107 CO 0.06 0.54 1.00 -1.13 0.02 0.00 0.00 175.55 176.03 3kk8 n SER 108 N 1.25 -0.48 -0.31 2.29 3.41 -1.26 -4.53 113.62 113.98 3kk8 n SER 108 Ca -0.13 0.27 -0.03 0.00 -0.26 0.00 0.00 58.87 58.71 3kk8 n SER 108 Cb 0.53 -1.38 0.09 0.00 -0.26 0.00 0.00 64.21 63.18 3kk8 n SER 108 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kk8 h GLU 109 N -2.04 1.10 -0.47 4.33 5.08 -1.96 0.84 114.58 121.46 3kk8 h GLU 109 Ca -0.47 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 3kk8 h GLU 109 Cb 1.29 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3kk8 h GLU 109 CO 0.42 0.73 0.31 0.00 -1.00 0.00 0.00 179.01 179.46 3kk8 h ALA 110 N 1.32 0.60 -0.27 3.43 0.00 -1.98 -0.23 119.26 122.12 3kk8 h ALA 110 Ca 0.32 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3kk8 h ALA 110 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3kk8 h ALA 110 CO -0.08 0.03 -0.39 -0.44 0.00 0.00 0.00 179.25 178.38 3kk8 h ASP 111 N 0.62 0.66 -0.37 0.00 3.45 -1.78 -2.24 116.42 116.76 3kk8 h ASP 111 Ca 0.17 -0.29 -0.13 0.00 0.43 0.00 0.00 57.03 57.21 3kk8 h ASP 111 Cb -0.06 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 3kk8 h ASP 111 CO -0.04 0.97 -0.26 0.00 -1.57 0.00 0.00 179.24 178.33 3kk8 h ALA 112 N 1.06 0.73 -0.17 3.45 0.00 -0.63 0.25 119.26 123.96 3kk8 h ALA 112 Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3kk8 h ALA 112 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kk8 h ALA 112 CO 0.08 0.66 0.06 1.03 0.00 0.00 0.00 179.25 181.08 3kk8 h SER 113 N 0.76 0.24 -0.67 0.00 0.87 -0.93 0.61 113.55 114.42 3kk8 h SER 113 Ca 0.09 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3kk8 h SER 113 Cb 0.82 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 3kk8 h SER 113 CO 0.07 0.36 0.30 -0.74 -0.53 0.00 0.00 176.83 176.29 3kk8 h HIS 114 N 0.10 1.01 0.07 2.24 6.17 -1.26 -0.03 115.15 123.45 3kk8 h HIS 114 Ca 0.05 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 3kk8 h HIS 114 Cb 0.20 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 29.82 3kk8 h HIS 114 CO -0.01 0.76 -0.03 0.00 0.71 0.00 0.00 177.93 179.36 3kk8 h ILE 116 N -0.46 0.84 -0.39 0.00 6.09 -0.78 -1.69 117.51 121.11 3kk8 h ILE 116 Ca -0.01 -1.23 0.04 0.00 -1.37 0.00 0.00 64.86 62.29 3kk8 h ILE 116 Cb 0.40 1.75 -0.04 0.00 0.47 0.00 0.00 36.82 39.40 3kk8 h ILE 116 CO 0.02 0.30 0.17 -0.61 -3.07 0.00 0.00 178.15 174.96 3kk8 h GLN 117 N 0.00 0.35 -0.56 2.19 4.15 -0.90 0.16 115.11 120.50 3kk8 h GLN 117 Ca -0.00 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 3kk8 h GLN 117 Cb 0.73 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 3kk8 h GLN 117 CO 0.04 0.23 -0.03 1.96 -1.93 0.00 0.00 178.83 179.09 3kk8 h GLN 118 N 0.36 1.00 -0.32 1.69 4.20 -1.02 -0.09 115.11 120.92 3kk8 h GLN 118 Ca 0.17 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3kk8 h GLN 118 Cb 0.11 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3kk8 h GLN 118 CO -0.15 1.02 0.17 0.82 -0.67 0.00 0.00 178.83 180.02 3kk8 h ILE 119 N 0.89 1.14 -0.05 2.54 2.04 -1.03 -1.52 117.51 121.52 3kk8 h ILE 119 Ca 0.15 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 3kk8 h ILE 119 Cb 0.59 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3kk8 h ILE 119 CO 0.04 0.14 -0.23 -0.07 0.00 0.00 0.00 178.15 178.03 3kk8 h LEU 120 N 0.40 0.07 -0.50 1.44 3.38 -0.43 -1.57 115.31 118.11 3kk8 h LEU 120 Ca 0.11 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 3kk8 h LEU 120 Cb 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kk8 h LEU 120 CO -0.02 0.31 -0.41 -0.33 0.09 0.00 0.00 178.44 178.08 3kk8 h GLU 121 N 0.07 0.78 -0.66 1.13 5.08 -0.39 0.23 114.58 120.81 3kk8 h GLU 121 Ca 0.01 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 3kk8 h GLU 121 Cb 0.45 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3kk8 h GLU 121 CO 0.03 1.04 0.11 0.66 -1.00 0.00 0.00 179.01 179.86 3kk8 h SER 122 N 0.63 1.03 -0.19 1.42 4.64 -0.86 -1.43 113.55 118.79 3kk8 h SER 122 Ca 0.05 -0.24 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 3kk8 h SER 122 Cb 0.97 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3kk8 h SER 122 CO 0.09 1.02 -0.63 0.40 -0.87 0.00 0.00 176.83 176.85 3kk8 h ILE 123 N 1.01 1.29 -0.88 0.95 1.08 -1.04 -1.28 117.51 118.65 3kk8 h ILE 123 Ca 0.20 -1.83 0.03 0.00 -0.39 0.00 0.00 64.86 62.87 3kk8 h ILE 123 Cb 0.42 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 36.01 3kk8 h ILE 123 CO 0.01 0.58 0.57 0.00 -0.69 0.00 0.00 178.15 178.62 3kk8 h ALA 124 N 0.58 1.16 -0.38 1.87 0.00 -0.45 0.92 119.26 122.96 3kk8 h ALA 124 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3kk8 h ALA 124 Cb 1.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3kk8 h ALA 124 CO 0.13 0.43 0.04 -0.92 0.00 0.00 0.00 179.25 178.94 3kk8 h TYR 125 N 1.12 0.70 0.09 0.00 3.20 -1.11 -0.74 116.97 120.23 3kk8 h TYR 125 Ca 0.35 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3kk8 h TYR 125 Cb -0.01 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 3kk8 h TYR 125 CO -0.02 0.71 -0.06 0.00 -1.64 0.00 0.00 178.16 177.15 3kk8 h HIS 127 N -0.15 0.65 0.00 0.00 3.86 -0.70 0.11 115.15 118.92 3kk8 h HIS 127 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3kk8 h HIS 127 Cb 0.14 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.39 3kk8 h HIS 127 CO -0.09 0.42 0.00 0.66 0.86 0.00 0.00 177.93 179.78 3kk8 h SER 128 N 0.70 0.00 -0.61 2.45 4.64 -0.77 -1.70 113.55 118.26 3kk8 h SER 128 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3kk8 h SER 128 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3kk8 h SER 128 CO -0.04 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.51 3kk8 n ASN 129 N -2.98 4.55 -0.61 4.97 3.02 -0.14 -4.95 115.26 119.13 3kk8 n ASN 129 Ca 0.01 -2.42 -0.07 0.00 -0.03 0.00 0.00 54.58 52.07 3kk8 n ASN 129 Cb 0.29 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 3kk8 n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kk8 n GLY 130 N 1.02 0.58 3.36 7.41 0.00 -0.64 -4.96 105.19 111.96 3kk8 n GLY 130 Ca 0.25 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 3kk8 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk8 s ILE 131 N -2.28 3.12 -0.14 -0.61 -1.09 -0.25 -1.03 121.20 118.91 3kk8 s ILE 131 Ca 0.00 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3kk8 s ILE 131 Cb 0.00 -2.33 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 3kk8 s ILE 131 CO 0.00 0.51 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.41 3kk8 s VAL 132 N 0.51 3.09 -0.01 2.92 1.01 -0.32 -3.26 120.40 124.34 3kk8 s VAL 132 Ca -0.08 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 3kk8 s VAL 132 Cb -0.16 -2.31 -0.25 0.00 0.00 0.00 0.00 36.38 33.66 3kk8 s VAL 132 CO 0.04 0.51 1.05 -0.74 0.00 0.00 0.00 175.10 175.96 3kk8 h HIS 133 N 6.86 0.55 0.00 5.22 2.76 -1.90 -0.30 115.15 128.34 3kk8 h HIS 133 Ca -0.28 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 3kk8 h HIS 133 Cb 1.21 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.11 3kk8 h HIS 133 CO 0.51 1.15 0.00 0.54 -1.30 0.00 0.00 177.93 178.83 3kk8 n ARG 134 N -4.24 0.00 -2.74 5.26 1.74 -1.26 -3.14 116.66 112.28 3kk8 n ARG 134 Ca -0.11 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.93 3kk8 n ARG 134 Cb 0.68 -2.41 0.04 0.00 -1.02 0.00 0.00 32.46 29.75 3kk8 n ARG 134 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kk8 n ASN 135 N 0.00 1.85 -4.71 0.55 5.15 -1.26 -4.41 115.26 112.43 3kk8 n ASN 135 Ca 0.00 -2.31 -0.42 0.00 -0.60 0.00 0.00 54.58 51.25 3kk8 n ASN 135 Cb 0.00 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 38.74 3kk8 n ASN 135 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kk8 s LEU 136 N -3.66 4.36 0.07 1.20 2.96 -1.26 -4.85 118.68 117.50 3kk8 s LEU 136 Ca 0.29 2.14 -0.27 0.00 -0.22 0.00 0.00 54.13 56.07 3kk8 s LEU 136 Cb 0.35 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.55 3kk8 s LEU 136 CO -0.02 -0.58 0.96 -1.59 -1.32 0.00 0.00 176.35 173.80 3kk8 s LYS 137 N 1.29 0.97 0.55 1.98 -2.85 -1.26 -4.88 119.74 115.53 3kk8 s LYS 137 Ca 0.62 -0.47 0.27 0.00 -1.00 0.00 0.00 55.97 55.38 3kk8 s LYS 137 Cb -0.32 0.37 1.58 0.00 -2.06 0.00 0.00 37.83 37.40 3kk8 s LYS 137 CO 0.29 -0.44 2.15 -1.35 0.10 0.00 0.00 175.35 176.10 3kk8 h PRO 138 N 2.00 0.00 0.00 1.78 0.11 -1.93 -0.84 132.00 133.12 3kk8 h PRO 138 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3kk8 h PRO 138 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kk8 h PRO 138 CO 0.28 0.07 0.00 0.93 -0.21 0.00 0.00 178.00 179.07 3kk8 h GLU 139 N 0.00 0.00 -0.53 1.05 3.07 -1.95 -1.74 114.58 114.48 3kk8 h GLU 139 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kk8 h GLU 139 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3kk8 h GLU 139 CO 0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 3kk8 n ASN 140 N -3.05 4.05 -4.20 1.42 3.02 -0.32 -4.86 115.26 111.32 3kk8 n ASN 140 Ca 0.00 -2.35 -0.32 0.00 -0.03 0.00 0.00 54.58 51.88 3kk8 n ASN 140 Cb 0.27 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 38.81 3kk8 n ASN 140 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kk8 s LEU 141 N -1.64 2.18 -0.03 3.41 1.43 -1.12 -1.35 118.68 121.56 3kk8 s LEU 141 Ca 0.42 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3kk8 s LEU 141 Cb 0.27 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3kk8 s LEU 141 CO 0.21 0.10 -0.22 -0.76 0.23 0.00 0.00 176.35 175.91 3kk8 s LEU 142 N 0.68 2.26 0.01 1.79 1.43 0.36 -0.07 118.68 125.13 3kk8 s LEU 142 Ca -0.10 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 3kk8 s LEU 142 Cb -0.16 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3kk8 s LEU 142 CO 0.01 0.32 0.79 -0.76 0.23 0.00 0.00 176.35 176.95 3kk8 s LEU 143 N -0.60 4.40 0.39 1.79 1.43 0.24 0.06 118.68 126.38 3kk8 s LEU 143 Ca 0.09 1.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.68 3kk8 s LEU 143 Cb -0.10 -3.27 0.79 0.00 0.03 0.00 0.00 46.19 43.63 3kk8 s LEU 143 CO -0.00 -0.08 2.00 0.00 0.23 0.00 0.00 176.35 178.51 3kk8 h ALA 144 N 6.18 1.61 -3.01 4.21 0.00 -1.24 -0.57 119.26 126.43 3kk8 h ALA 144 Ca -0.42 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3kk8 h ALA 144 Cb 1.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3kk8 h ALA 144 CO 0.73 0.32 0.13 -1.13 0.00 0.00 0.00 179.25 179.30 3kk8 n SER 145 N -4.41 -1.62 0.05 0.00 3.41 -1.26 -1.27 113.62 108.51 3kk8 n SER 145 Ca 0.03 -2.31 0.13 0.00 -0.26 0.00 0.00 58.87 56.46 3kk8 n SER 145 Cb 0.12 2.75 0.44 0.00 -0.26 0.00 0.00 64.21 67.26 3kk8 n SER 145 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kk8 n LYS 146 N -0.43 0.15 -2.01 4.33 5.02 -1.26 -4.17 118.16 119.79 3kk8 n LYS 146 Ca -0.05 0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 3kk8 n LYS 146 Cb 0.46 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3kk8 n LYS 146 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kk8 s ALA 147 N -3.06 3.56 0.48 7.82 0.00 -1.26 -4.95 121.76 124.34 3kk8 s ALA 147 Ca 0.11 1.35 -0.24 0.00 0.00 0.00 0.00 51.96 53.19 3kk8 s ALA 147 Cb 0.15 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 3kk8 s ALA 147 CO 0.60 -0.77 1.41 0.15 0.00 0.00 0.00 175.76 177.15 3kk8 s LYS 148 N -1.41 3.51 0.00 0.00 -0.14 -1.26 -2.01 119.74 118.44 3kk8 s LYS 148 Ca 0.53 2.38 0.00 0.00 -1.36 0.00 0.00 55.97 57.52 3kk8 s LYS 148 Cb -0.42 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.20 3kk8 s LYS 148 CO 0.52 -0.94 0.00 0.41 -0.76 0.00 0.00 175.35 174.58 3kk8 n GLY 149 N 0.62 1.23 3.74 -3.33 0.00 -1.26 -5.02 105.19 101.17 3kk8 n GLY 149 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3kk8 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk8 s ALA 150 N -3.44 2.58 0.34 4.61 0.00 -0.85 -4.88 121.76 120.12 3kk8 s ALA 150 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 3kk8 s ALA 150 Cb 0.00 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3kk8 s ALA 150 CO 0.00 -1.52 1.51 0.00 0.00 0.00 0.00 175.76 175.75 3kk8 n ALA 151 N -1.51 2.34 -2.66 0.00 0.00 -1.26 -4.66 120.51 112.75 3kk8 n ALA 151 Ca 0.13 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 3kk8 n ALA 151 Cb 0.47 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 3kk8 n ALA 151 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kk8 s VAL 152 N -0.67 5.08 -0.09 0.00 1.01 -1.26 -0.81 120.40 123.66 3kk8 s VAL 152 Ca 0.58 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.62 3kk8 s VAL 152 Cb -0.49 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 3kk8 s VAL 152 CO 0.58 0.16 -0.24 -0.54 0.00 0.00 0.00 175.10 175.05 3kk8 s LYS 153 N 1.73 2.97 0.15 2.72 1.02 0.11 -4.63 119.74 123.80 3kk8 s LYS 153 Ca 0.25 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 3kk8 s LYS 153 Cb -0.16 -2.28 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 3kk8 s LYS 153 CO 0.10 0.22 1.17 -1.17 -0.92 0.00 0.00 175.35 174.74 3kk8 s LEU 154 N 0.25 4.44 0.33 3.17 2.96 0.16 -0.49 118.68 129.51 3kk8 s LEU 154 Ca -0.16 2.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 3kk8 s LEU 154 Cb -0.17 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 3kk8 s LEU 154 CO 0.08 -0.35 0.12 0.00 -1.32 0.00 0.00 176.35 174.88 3kk8 s ALA 155 N 0.19 2.29 -0.47 5.97 0.00 -0.46 -1.05 121.76 128.24 3kk8 s ALA 155 Ca 0.53 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 3kk8 s ALA 155 Cb -0.31 0.92 0.02 0.00 0.00 0.00 0.00 23.12 23.76 3kk8 s ALA 155 CO 0.34 -0.41 0.61 -3.47 0.00 0.00 0.00 175.76 172.83 3kk8 n ASP 156 N -0.93 -7.86 -1.68 0.00 -0.08 -1.26 -4.84 116.55 99.90 3kk8 n ASP 156 Ca -0.02 0.44 -0.04 0.00 -1.51 0.00 0.00 54.79 53.66 3kk8 n ASP 156 Cb 0.65 -5.26 0.23 0.00 2.34 0.00 0.00 41.12 39.09 3kk8 n ASP 156 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kk8 n PHE 157 N -0.47 1.84 0.30 -0.67 3.72 -1.26 -4.45 117.46 116.47 3kk8 n PHE 157 Ca 0.10 -0.92 0.19 0.00 -0.05 0.00 0.00 57.45 56.77 3kk8 n PHE 157 Cb 0.47 -0.55 0.91 0.00 -0.94 0.00 0.00 39.48 39.37 3kk8 n PHE 157 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kk8 h GLY 158 N 3.29 0.00 -0.90 1.37 0.00 -1.91 -1.59 103.07 103.32 3kk8 h GLY 158 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kk8 h GLY 158 CO 0.55 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.13 3kk8 n LEU 159 N -2.93 2.49 -4.77 3.11 4.77 -1.26 -4.95 117.00 113.46 3kk8 n LEU 159 Ca -0.01 -1.79 -0.35 0.00 -0.03 0.00 0.00 56.01 53.83 3kk8 n LEU 159 Cb 0.16 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3kk8 n LEU 159 CO 0.21 0.60 0.79 0.00 -1.33 0.00 0.00 177.39 177.66 3kk8 s ALA 160 N -0.94 2.60 0.13 -1.18 0.00 -0.60 -4.64 121.76 117.13 3kk8 s ALA 160 Ca 0.16 0.81 0.07 0.00 0.00 0.00 0.00 51.96 53.00 3kk8 s ALA 160 Cb 0.09 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3kk8 s ALA 160 CO 0.12 -0.98 -0.16 0.96 0.00 0.00 0.00 175.76 175.69 3kk8 s ILE 161 N -1.85 1.47 -0.20 0.00 -4.36 -0.12 -4.97 121.20 111.16 3kk8 s ILE 161 Ca 0.73 -1.72 -0.10 0.00 -0.26 0.00 0.00 60.65 59.29 3kk8 s ILE 161 Cb -0.25 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 3kk8 s ILE 161 CO 0.32 -0.35 0.15 -1.61 0.24 0.00 0.00 174.94 173.69 3kk8 s GLU 162 N -2.57 4.18 0.13 0.37 2.02 -1.26 -1.17 118.70 120.40 3kk8 s GLU 162 Ca 0.10 -0.19 0.08 0.00 0.02 0.00 0.00 54.97 54.97 3kk8 s GLU 162 Cb -0.06 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 3kk8 s GLU 162 CO 0.04 0.26 -0.18 0.14 0.02 0.00 0.00 175.26 175.54 3kk8 s VAL 163 N 0.47 1.64 0.00 2.63 -7.23 -0.20 -5.01 120.40 112.70 3kk8 s VAL 163 Ca 0.09 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3kk8 s VAL 163 Cb -0.12 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3kk8 s VAL 163 CO -0.01 -0.25 0.00 -0.46 -0.31 0.00 0.00 175.10 174.07 3kk8 n ASN 164 N 0.65 0.00 -0.37 4.85 0.23 -1.26 -4.68 115.26 114.68 3kk8 n ASN 164 Ca -0.16 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.00 3kk8 n ASN 164 Cb 0.56 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.71 3kk8 n ASN 164 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3kk8 n ASP 165 N 0.00 1.13 -4.61 0.53 3.85 -1.26 -4.86 116.55 111.33 3kk8 n ASP 165 Ca 0.00 -1.58 -0.25 0.00 -0.71 0.00 0.00 54.79 52.25 3kk8 n ASP 165 Cb 0.00 -0.06 -0.09 0.00 -1.35 0.00 0.00 41.12 39.62 3kk8 n ASP 165 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3kk8 s SER 166 N -1.62 4.09 0.35 -1.12 1.04 -1.26 -5.13 113.70 110.04 3kk8 s SER 166 Ca 0.32 -1.02 -0.17 0.00 0.48 0.00 0.00 55.95 55.56 3kk8 s SER 166 Cb 0.17 -0.50 -0.10 0.00 0.10 0.00 0.00 66.02 65.69 3kk8 s SER 166 CO 0.26 -0.22 0.80 -1.61 0.98 0.00 0.00 173.24 173.45 3kk8 s GLU 167 N -3.69 4.09 0.12 4.02 2.02 -1.26 -4.90 118.70 119.10 3kk8 s GLU 167 Ca 0.34 0.82 -0.10 0.00 0.02 0.00 0.00 54.97 56.05 3kk8 s GLU 167 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.84 3kk8 s GLU 167 CO 0.19 0.12 0.25 0.00 0.02 0.00 0.00 175.26 175.83 3kk8 s ALA 168 N -2.00 -0.23 -0.58 5.21 0.00 -1.13 -4.79 121.76 118.23 3kk8 s ALA 168 Ca 0.56 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 3kk8 s ALA 168 Cb -0.10 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.69 3kk8 s ALA 168 CO 0.16 -0.57 1.06 -0.46 0.00 0.00 0.00 175.76 175.96 3kk8 s TRP 169 N -3.89 2.68 -2.63 0.00 -0.11 -1.26 -0.97 118.94 112.76 3kk8 s TRP 169 Ca 0.09 0.12 0.24 0.00 1.22 0.00 0.00 56.10 57.77 3kk8 s TRP 169 Cb 0.04 -4.29 0.47 0.00 -1.50 0.00 0.00 33.47 28.19 3kk8 s TRP 169 CO -0.07 -1.51 1.42 0.72 -4.62 0.00 0.00 176.95 172.89 3kk8 n HIS 170 N 7.99 0.22 0.00 5.86 8.25 -1.26 -5.03 115.22 131.25 3kk8 n HIS 170 Ca 0.04 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3kk8 n HIS 170 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3kk8 n HIS 170 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kk8 n GLY 171 N 1.36 1.95 3.49 -1.41 0.00 -1.26 -4.93 105.19 104.39 3kk8 n GLY 171 Ca 0.17 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 3kk8 n GLY 171 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kk8 s PHE 172 N -2.43 3.04 -0.04 1.61 5.36 -1.26 -4.99 117.98 119.27 3kk8 s PHE 172 Ca 0.00 -0.26 -0.27 0.00 -0.96 0.00 0.00 56.93 55.43 3kk8 s PHE 172 Cb 0.00 -3.46 0.06 0.00 -0.34 0.00 0.00 43.02 39.28 3kk8 s PHE 172 CO 0.00 -0.97 0.59 0.00 -1.46 0.00 0.00 175.22 173.39 3kk8 s ALA 173 N 2.80 -1.54 0.00 11.12 0.00 -1.26 -5.15 121.76 127.73 3kk8 s ALA 173 Ca 0.20 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3kk8 s ALA 173 Cb -0.16 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3kk8 s ALA 173 CO 0.16 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3kk8 n GLY 174 N 0.96 0.58 3.21 0.00 0.00 -1.26 -4.95 105.19 103.73 3kk8 n GLY 174 Ca -0.20 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 3kk8 n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kk8 s THR 175 N -2.97 2.15 0.25 2.61 2.01 -1.26 -5.02 115.64 113.40 3kk8 s THR 175 Ca 0.00 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 3kk8 s THR 175 Cb 0.00 -1.84 0.33 0.00 0.01 0.00 0.00 72.50 71.00 3kk8 s THR 175 CO 0.00 0.55 1.60 -0.65 -0.69 0.00 0.00 174.62 175.44 3kk8 h PRO 176 N 6.96 0.03 0.00 4.92 0.11 -1.98 0.33 132.00 142.36 3kk8 h PRO 176 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3kk8 h PRO 176 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kk8 h PRO 176 CO 0.51 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 3kk8 n GLY 177 N -1.49 -1.23 0.31 -0.55 0.00 -1.26 -2.52 105.19 98.45 3kk8 n GLY 177 Ca 0.13 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3kk8 n GLY 177 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kk8 n TYR 178 N -2.12 0.00 -2.00 1.61 4.01 0.04 -4.82 117.16 113.88 3kk8 n TYR 178 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.37 3kk8 n TYR 178 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 3kk8 n TYR 178 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kk8 s LEU 179 N -0.95 4.12 0.47 7.72 1.43 -0.80 -4.21 118.68 126.46 3kk8 s LEU 179 Ca 0.09 2.66 -0.07 0.00 -1.03 0.00 0.00 54.13 55.79 3kk8 s LEU 179 Cb 0.07 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 3kk8 s LEU 179 CO 0.14 -1.01 0.79 -0.94 0.23 0.00 0.00 176.35 175.55 3kk8 s SER 180 N -0.82 6.32 0.26 2.29 1.04 -1.26 -4.96 113.70 116.57 3kk8 s SER 180 Ca 0.60 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.98 3kk8 s SER 180 Cb -0.38 -2.27 0.30 0.00 0.10 0.00 0.00 66.02 63.76 3kk8 s SER 180 CO 0.48 -0.54 1.91 -0.65 0.98 0.00 0.00 173.24 175.42 3kk8 h PRO 181 N 0.47 1.24 -0.36 4.02 0.11 -1.86 -1.80 132.00 133.81 3kk8 h PRO 181 Ca -0.47 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 65.48 3kk8 h PRO 181 Cb 1.20 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3kk8 h PRO 181 CO 0.62 0.85 -0.03 1.05 -0.21 0.00 0.00 178.00 180.28 3kk8 h GLU 182 N 1.26 0.57 -0.36 1.05 9.09 -1.93 0.59 114.58 124.85 3kk8 h GLU 182 Ca 0.33 -0.14 -0.13 0.00 0.05 0.00 0.00 59.36 59.47 3kk8 h GLU 182 Cb -0.08 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 26.94 3kk8 h GLU 182 CO -0.07 0.62 -0.29 0.28 0.05 0.00 0.00 179.01 179.60 3kk8 h VAL 183 N 0.54 1.28 -0.15 -1.06 2.07 -1.70 0.13 116.25 117.36 3kk8 h VAL 183 Ca 0.11 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 3kk8 h VAL 183 Cb 0.39 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3kk8 h VAL 183 CO 0.02 0.48 -0.22 -0.07 0.02 0.00 0.00 177.57 177.80 3kk8 h LEU 184 N 0.63 0.26 0.00 2.57 3.38 -0.79 -1.24 115.31 120.12 3kk8 h LEU 184 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kk8 h LEU 184 Cb 0.87 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3kk8 h LEU 184 CO 0.08 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.39 3kk8 n LYS 185 N -4.19 0.41 -3.66 1.13 5.02 0.15 -4.92 118.16 112.11 3kk8 n LYS 185 Ca -0.01 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.04 3kk8 n LYS 185 Cb 0.34 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3kk8 n LYS 185 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kk8 n LYS 186 N -1.29 -6.89 -3.28 1.97 5.02 -0.47 -5.01 118.16 108.21 3kk8 n LYS 186 Ca 0.14 0.76 -0.30 0.00 -2.02 0.00 0.00 58.31 56.89 3kk8 n LYS 186 Cb 0.24 -5.72 -0.04 0.00 -0.02 0.00 0.00 35.03 29.49 3kk8 n LYS 186 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kk8 s ASP 187 N -3.59 6.51 0.66 4.39 1.01 -0.02 -5.03 116.67 120.60 3kk8 s ASP 187 Ca 0.45 0.84 -0.17 0.00 0.71 0.00 0.00 52.55 54.38 3kk8 s ASP 187 Cb -0.21 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 3kk8 s ASP 187 CO 0.76 -0.20 0.98 -2.65 0.21 0.00 0.00 175.17 174.28 3kk8 n PRO 188 N -0.78 0.73 -3.94 8.23 -0.02 -1.26 -4.59 135.00 133.37 3kk8 n PRO 188 Ca -0.00 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 3kk8 n PRO 188 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3kk8 n PRO 188 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3kk8 s TYR 189 N -1.63 0.23 0.00 6.00 -0.85 -0.14 -4.78 117.35 116.17 3kk8 s TYR 189 Ca 0.76 -0.65 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 3kk8 s TYR 189 Cb -0.38 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.38 3kk8 s TYR 189 CO 0.48 -1.17 0.00 0.45 -1.52 0.00 0.00 175.55 173.79 3kk8 n SER 190 N -0.66 3.82 -0.35 -0.18 2.88 -1.26 -2.83 113.62 115.05 3kk8 n SER 190 Ca -0.03 0.00 0.25 0.00 -1.33 0.00 0.00 58.87 57.76 3kk8 n SER 190 Cb 0.61 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.56 3kk8 n SER 190 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kk8 h LYS 191 N 0.00 0.31 0.00 -1.46 1.57 -1.95 -2.12 116.57 112.91 3kk8 h LYS 191 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kk8 h LYS 191 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3kk8 h LYS 191 CO 0.00 0.20 -0.00 -1.35 -0.57 0.00 0.00 179.45 177.73 3kk8 h PRO 192 N 0.32 0.00 -0.74 3.15 0.11 -1.95 -1.88 132.00 131.00 3kk8 h PRO 192 Ca 0.73 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.94 3kk8 h PRO 192 Cb 1.74 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.80 3kk8 h PRO 192 CO -0.56 0.00 0.49 -0.39 -0.21 0.00 0.00 178.00 177.33 3kk8 h VAL 193 N 0.00 0.92 0.00 3.15 -1.51 -1.80 -0.72 116.25 116.29 3kk8 h VAL 193 Ca -0.00 -0.21 -0.11 0.00 -1.23 0.00 0.00 66.70 65.14 3kk8 h VAL 193 Cb 0.04 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 29.43 3kk8 h VAL 193 CO 0.00 0.11 -0.54 0.44 -1.23 0.00 0.00 177.57 176.35 3kk8 h ASP 194 N 0.62 0.00 -0.04 4.19 3.45 -1.57 -2.81 116.42 120.27 3kk8 h ASP 194 Ca 0.35 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.64 3kk8 h ASP 194 Cb 0.52 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3kk8 h ASP 194 CO -0.12 0.54 -0.54 0.40 -1.57 0.00 0.00 179.24 177.94 3kk8 h ILE 195 N 0.00 1.31 -0.40 0.35 1.08 -1.24 -1.20 117.51 117.41 3kk8 h ILE 195 Ca -0.01 -1.78 0.02 0.00 -0.39 0.00 0.00 64.86 62.71 3kk8 h ILE 195 Cb 1.07 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 36.52 3kk8 h ILE 195 CO 0.07 0.56 0.22 -0.25 -0.69 0.00 0.00 178.15 178.05 3kk8 h TRP 196 N 0.48 0.40 -0.73 1.37 2.91 -1.29 -0.68 115.95 118.41 3kk8 h TRP 196 Ca 0.01 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 3kk8 h TRP 196 Cb 1.10 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.59 3kk8 h TRP 196 CO 0.05 0.22 0.45 0.00 -1.03 0.00 0.00 178.44 178.13 3kk8 h ALA 197 N 1.19 1.42 -0.93 2.65 0.00 -1.33 -1.23 119.26 121.04 3kk8 h ALA 197 Ca 0.16 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kk8 h ALA 197 Cb 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3kk8 h ALA 197 CO -0.10 0.51 0.61 0.00 0.00 0.00 0.00 179.25 180.28 3kk8 h GLY 199 N 1.20 0.88 0.75 0.00 0.00 0.02 0.11 103.07 106.03 3kk8 h GLY 199 Ca 0.36 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.27 3kk8 h GLY 199 CO -0.10 0.43 0.18 -2.08 0.00 0.00 0.00 176.54 174.97 3kk8 h VAL 200 N 0.76 0.95 -0.61 4.60 2.07 -0.80 -1.64 116.25 121.56 3kk8 h VAL 200 Ca 0.19 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3kk8 h VAL 200 Cb 0.16 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3kk8 h VAL 200 CO -0.02 0.07 0.29 0.40 0.02 0.00 0.00 177.57 178.33 3kk8 h ILE 201 N 0.37 1.22 -0.52 4.57 2.04 -0.80 -1.47 117.51 122.92 3kk8 h ILE 201 Ca 0.17 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3kk8 h ILE 201 Cb 0.11 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3kk8 h ILE 201 CO -0.14 0.25 0.30 0.25 0.00 0.00 0.00 178.15 178.81 3kk8 h LEU 202 N 0.84 0.64 -0.52 1.44 5.85 -0.75 0.16 115.31 122.97 3kk8 h LEU 202 Ca 0.21 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3kk8 h LEU 202 Cb 0.13 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3kk8 h LEU 202 CO -0.03 0.53 0.27 0.22 -0.34 0.00 0.00 178.44 179.09 3kk8 h TYR 203 N 0.70 0.49 -0.72 1.25 5.03 -1.06 -2.16 116.97 120.49 3kk8 h TYR 203 Ca 0.19 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 3kk8 h TYR 203 Cb 0.02 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.12 3kk8 h TYR 203 CO -0.02 0.24 0.41 0.82 -1.32 0.00 0.00 178.16 178.29 3kk8 h ILE 204 N 0.52 1.21 -0.89 1.81 2.04 -0.54 -2.48 117.51 119.19 3kk8 h ILE 204 Ca 0.23 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3kk8 h ILE 204 Cb 0.13 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 3kk8 h ILE 204 CO -0.16 0.23 0.58 -0.07 0.00 0.00 0.00 178.15 178.74 3kk8 h LEU 205 N 0.99 0.89 -0.18 1.44 3.38 -0.08 0.20 115.31 121.96 3kk8 h LEU 205 Ca 0.26 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 3kk8 h LEU 205 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3kk8 h LEU 205 CO -0.04 0.57 -0.90 -0.07 0.09 0.00 0.00 178.44 178.09 3kk8 h LEU 206 N 1.01 0.00 0.00 1.67 3.38 -1.01 0.21 115.31 120.57 3kk8 h LEU 206 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3kk8 h LEU 206 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kk8 h LEU 206 CO -0.14 0.90 -0.10 1.33 0.09 0.00 0.00 178.44 180.51 3kk8 n VAL 207 N -3.45 0.00 -0.49 1.22 0.24 -1.10 -4.53 118.33 110.22 3kk8 n VAL 207 Ca -0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3kk8 n VAL 207 Cb 0.86 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 3kk8 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kk8 n GLY 208 N 0.65 0.75 3.08 7.63 0.00 0.71 -4.81 105.19 113.20 3kk8 n GLY 208 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3kk8 n GLY 208 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kk8 s TYR 209 N -2.55 0.47 0.48 1.61 -0.85 -1.26 -4.99 117.35 110.26 3kk8 s TYR 209 Ca 0.00 -0.98 -0.07 0.00 -0.52 0.00 0.00 57.07 55.51 3kk8 s TYR 209 Cb 0.00 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 3kk8 s TYR 209 CO 0.00 -0.36 0.81 -1.25 -1.52 0.00 0.00 175.55 173.22 3kk8 s PRO 210 N -3.60 3.59 0.35 -3.49 0.04 -1.26 -4.04 135.00 126.59 3kk8 s PRO 210 Ca 0.04 0.31 0.16 0.00 0.04 0.00 0.00 61.00 61.55 3kk8 s PRO 210 Cb 0.06 -2.35 0.60 0.00 0.04 0.00 0.00 34.50 32.85 3kk8 s PRO 210 CO -0.09 -0.21 1.71 -1.00 0.04 0.00 0.00 177.00 177.45 3kk8 h PRO 211 N 0.37 0.00 -4.60 0.56 0.13 -1.93 -3.41 132.00 123.11 3kk8 h PRO 211 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 3kk8 h PRO 211 Cb 1.20 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 3kk8 h PRO 211 CO 0.62 0.44 -0.83 -0.06 -0.23 0.00 0.00 178.00 177.94 3kk8 s PHE 212 N -3.64 2.09 -0.21 1.56 0.40 -1.26 -4.71 117.98 112.21 3kk8 s PHE 212 Ca -0.00 -1.18 -0.27 0.00 -0.60 0.00 0.00 56.93 54.87 3kk8 s PHE 212 Cb 0.12 -1.55 0.10 0.00 0.51 0.00 0.00 43.02 42.20 3kk8 s PHE 212 CO 0.71 -0.65 0.88 -0.46 0.70 0.00 0.00 175.22 176.39 3kk8 s TRP 213 N 1.51 -0.57 -0.27 0.36 -0.11 -1.26 -4.89 118.94 113.70 3kk8 s TRP 213 Ca 0.05 1.25 -0.25 0.00 1.22 0.00 0.00 56.10 58.37 3kk8 s TRP 213 Cb -0.13 0.36 0.09 0.00 -1.50 0.00 0.00 33.47 32.29 3kk8 s TRP 213 CO -0.10 -0.36 0.81 0.34 -4.62 0.00 0.00 176.95 173.01 3kk8 s ASP 214 N -0.28 -0.67 0.20 5.86 -1.08 -1.26 -4.97 116.67 114.47 3kk8 s ASP 214 Ca -0.01 1.28 0.23 0.00 -0.52 0.00 0.00 52.55 53.53 3kk8 s ASP 214 Cb -0.03 1.30 0.91 0.00 -1.46 0.00 0.00 42.92 43.64 3kk8 s ASP 214 CO 0.00 -0.22 1.71 -0.62 0.52 0.00 0.00 175.17 176.56 3kk8 n GLU 215 N 2.62 0.17 -3.55 4.34 1.02 -1.26 -4.45 120.64 119.53 3kk8 n GLU 215 Ca -0.14 0.32 -0.39 0.00 -0.02 0.00 0.00 57.16 56.93 3kk8 n GLU 215 Cb 0.55 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 3kk8 n GLU 215 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kk8 s ASP 216 N -4.07 6.05 0.33 1.62 -1.08 -1.26 -4.96 116.67 113.29 3kk8 s ASP 216 Ca 0.07 -0.21 0.15 0.00 -0.52 0.00 0.00 52.55 52.03 3kk8 s ASP 216 Cb 0.11 -2.13 0.54 0.00 -1.46 0.00 0.00 42.92 39.97 3kk8 s ASP 216 CO 0.44 -0.15 1.69 -0.61 0.52 0.00 0.00 175.17 177.05 3kk8 h GLN 217 N 8.43 0.00 -0.56 4.34 4.15 -2.00 -0.96 115.11 128.51 3kk8 h GLN 217 Ca -0.33 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 3kk8 h GLN 217 Cb 1.17 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 3kk8 h GLN 217 CO 0.60 0.49 0.31 0.45 -1.93 0.00 0.00 178.83 178.74 3kk8 h HIS 218 N 0.00 0.77 -0.34 3.99 3.86 -1.94 -0.10 115.15 121.39 3kk8 h HIS 218 Ca -0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3kk8 h HIS 218 Cb 0.97 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 3kk8 h HIS 218 CO 0.00 0.56 0.14 0.00 0.86 0.00 0.00 177.93 179.50 3kk8 h ARG 219 N 0.76 0.50 -0.01 2.45 3.08 -1.85 -1.81 114.38 117.49 3kk8 h ARG 219 Ca 0.20 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.19 3kk8 h ARG 219 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3kk8 h ARG 219 CO -0.03 0.48 -0.16 1.25 -1.07 0.00 0.00 179.97 180.44 3kk8 h LEU 220 N 0.40 -0.47 -1.17 3.04 5.85 -0.78 -0.44 115.31 121.73 3kk8 h LEU 220 Ca 0.11 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3kk8 h LEU 220 Cb 0.16 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3kk8 h LEU 220 CO -0.01 -0.22 -0.19 1.88 -0.34 0.00 0.00 178.44 179.56 3kk8 h TYR 221 N -0.26 0.37 -0.78 1.25 0.05 -1.03 -1.21 116.97 115.35 3kk8 h TYR 221 Ca 0.05 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3kk8 h TYR 221 Cb 0.33 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3kk8 h TYR 221 CO -0.22 0.52 0.31 0.00 -1.05 0.00 0.00 178.16 177.73 3kk8 h ALA 222 N 1.49 1.07 -0.29 3.88 0.00 -0.84 -1.00 119.26 123.58 3kk8 h ALA 222 Ca 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3kk8 h ALA 222 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kk8 h ALA 222 CO 0.03 0.66 -0.01 1.96 0.00 0.00 0.00 179.25 181.90 3kk8 h GLN 223 N 1.14 0.51 -0.04 0.00 4.20 -0.53 -2.10 115.11 118.29 3kk8 h GLN 223 Ca 0.26 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3kk8 h GLN 223 Cb 0.22 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3kk8 h GLN 223 CO -0.02 0.67 0.03 0.82 -0.67 0.00 0.00 178.83 179.65 3kk8 h ILE 224 N 0.30 1.03 -0.31 2.54 2.04 -1.14 0.09 117.51 122.06 3kk8 h ILE 224 Ca 0.08 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3kk8 h ILE 224 Cb 0.44 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3kk8 h ILE 224 CO 0.02 0.03 0.21 0.11 0.00 0.00 0.00 178.15 178.51 3kk8 h LYS 225 N 0.03 0.27 -0.00 2.37 1.57 -1.11 -0.59 116.57 119.11 3kk8 h LYS 225 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kk8 h LYS 225 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3kk8 h LYS 225 CO -0.00 0.18 -0.24 0.00 -0.57 0.00 0.00 179.45 178.81 3kk8 n ALA 226 N -2.52 2.95 -2.82 3.86 0.00 -0.80 -4.93 120.51 116.25 3kk8 n ALA 226 Ca 0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 3kk8 n ALA 226 Cb 0.18 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.37 3kk8 n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kk8 n GLY 227 N 1.47 -0.19 3.43 0.00 0.00 -0.23 -4.94 105.19 104.73 3kk8 n GLY 227 Ca 0.07 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 3kk8 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk8 s ALA 228 N -3.01 3.29 0.18 4.61 0.00 -0.07 -4.96 121.76 121.80 3kk8 s ALA 228 Ca 0.23 -2.23 -0.09 0.00 0.00 0.00 0.00 51.96 49.87 3kk8 s ALA 228 Cb -0.10 -3.81 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 3kk8 s ALA 228 CO 0.28 -2.70 0.30 1.52 0.00 0.00 0.00 175.76 175.16 3kk8 s TYR 229 N 3.22 0.44 0.07 0.00 1.13 -1.26 -4.78 117.35 116.17 3kk8 s TYR 229 Ca 0.22 -0.79 0.01 0.00 -1.41 0.00 0.00 57.07 55.09 3kk8 s TYR 229 Cb -0.16 -0.05 -0.00 0.00 -1.10 0.00 0.00 41.96 40.65 3kk8 s TYR 229 CO 0.04 -0.75 0.07 -0.40 -2.51 0.00 0.00 175.55 171.99 3kk8 n ASP 230 N -0.24 -0.19 -3.67 -0.18 5.68 -1.26 -5.11 116.55 111.57 3kk8 n ASP 230 Ca -0.06 -1.40 -0.27 0.00 -0.50 0.00 0.00 54.79 52.55 3kk8 n ASP 230 Cb 0.63 0.40 -0.11 0.00 -1.14 0.00 0.00 41.12 40.90 3kk8 n ASP 230 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3kk8 n TYR 231 N -0.12 1.71 -1.96 2.11 4.02 -1.26 -5.02 117.16 116.64 3kk8 n TYR 231 Ca 0.01 -3.93 -0.38 0.00 -0.01 0.00 0.00 57.90 53.59 3kk8 n TYR 231 Cb 0.12 -0.31 0.02 0.00 -0.02 0.00 0.00 39.34 39.15 3kk8 n TYR 231 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3kk8 s PRO 232 N -1.01 3.32 0.62 -0.72 0.02 -1.26 -4.70 135.00 131.28 3kk8 s PRO 232 Ca 0.29 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.24 3kk8 s PRO 232 Cb 0.01 -2.28 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 3kk8 s PRO 232 CO -0.17 -0.98 1.03 -1.12 -0.33 0.00 0.00 177.00 175.43 3kk8 s SER 233 N -1.15 6.05 0.03 2.53 0.01 -1.26 -2.37 113.70 117.54 3kk8 s SER 233 Ca 0.69 1.51 0.25 0.00 1.31 0.00 0.00 55.95 59.71 3kk8 s SER 233 Cb -0.36 -2.48 0.44 0.00 0.21 0.00 0.00 66.02 63.83 3kk8 s SER 233 CO 0.42 -0.99 1.36 -0.81 0.41 0.00 0.00 173.24 173.63 3kk8 n PRO 234 N -2.66 0.09 -0.06 12.44 -0.04 -1.26 -4.85 135.00 138.66 3kk8 n PRO 234 Ca 0.07 0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 3kk8 n PRO 234 Cb 0.54 -1.55 0.31 0.00 -0.04 0.00 0.00 33.50 32.76 3kk8 n PRO 234 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3kk8 h GLU 235 N 0.00 0.65 -0.00 0.54 9.09 -1.96 0.12 114.58 123.03 3kk8 h GLU 235 Ca 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3kk8 h GLU 235 Cb 0.57 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 3kk8 h GLU 235 CO 0.00 0.54 -0.06 0.91 0.05 0.00 0.00 179.01 180.45 3kk8 n TRP 236 N -4.36 0.00 -0.28 2.06 7.02 -1.00 -4.16 117.44 116.73 3kk8 n TRP 236 Ca 0.03 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.47 3kk8 n TRP 236 Cb 0.15 -0.31 0.06 0.00 -2.42 0.00 0.00 31.31 28.79 3kk8 n TRP 236 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kk8 h ASP 237 N 0.13 0.90 -0.20 -0.99 3.32 -0.98 -2.58 116.42 116.03 3kk8 h ASP 237 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3kk8 h ASP 237 Cb 0.37 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3kk8 h ASP 237 CO 0.00 0.70 0.00 0.35 -1.72 0.00 0.00 179.24 178.57 3kk8 n THR 238 N -4.51 0.25 -2.95 0.35 -2.24 -1.26 -4.88 114.28 99.04 3kk8 n THR 238 Ca 0.07 -0.45 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 3kk8 n THR 238 Cb 0.05 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 3kk8 n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kk8 s VAL 239 N -1.75 4.59 0.67 2.28 1.01 -0.97 -5.03 120.40 121.19 3kk8 s VAL 239 Ca 0.34 1.71 -0.16 0.00 0.00 0.00 0.00 61.98 63.87 3kk8 s VAL 239 Cb 0.19 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3kk8 s VAL 239 CO 0.29 0.41 1.17 0.42 0.00 0.00 0.00 175.10 177.38 3kk8 s THR 240 N -0.38 2.72 0.40 3.92 -4.23 -1.26 -4.93 115.64 111.88 3kk8 s THR 240 Ca 0.39 0.37 0.15 0.00 -1.18 0.00 0.00 61.69 61.42 3kk8 s THR 240 Cb -0.22 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.81 3kk8 s THR 240 CO 0.25 -0.17 1.91 1.55 -0.54 0.00 0.00 174.62 177.62 3kk8 h PRO 241 N 0.12 0.00 -0.56 3.99 0.13 -1.97 -2.49 132.00 131.21 3kk8 h PRO 241 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3kk8 h PRO 241 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3kk8 h PRO 241 CO 0.52 0.27 0.16 0.93 -0.23 0.00 0.00 178.00 179.66 3kk8 h GLU 242 N 0.00 0.87 -0.50 0.86 3.07 -1.99 0.14 114.58 117.03 3kk8 h GLU 242 Ca -0.00 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 3kk8 h GLU 242 Cb 0.50 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3kk8 h GLU 242 CO 0.04 0.80 0.24 0.00 -1.40 0.00 0.00 179.01 178.69 3kk8 h ALA 243 N 1.03 0.64 -0.34 3.43 0.00 -1.82 -1.83 119.26 120.37 3kk8 h ALA 243 Ca 0.18 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3kk8 h ALA 243 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kk8 h ALA 243 CO -0.00 0.20 -0.36 0.87 0.00 0.00 0.00 179.25 179.95 3kk8 h LYS 244 N 0.66 0.77 -0.75 0.00 1.57 -1.32 -1.76 116.57 115.74 3kk8 h LYS 244 Ca 0.17 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3kk8 h LYS 244 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3kk8 h LYS 244 CO -0.02 1.01 0.23 1.03 -0.57 0.00 0.00 179.45 181.13 3kk8 h SER 245 N 0.64 1.10 -0.41 0.86 0.87 -0.58 0.17 113.55 116.21 3kk8 h SER 245 Ca 0.06 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 3kk8 h SER 245 Cb 0.91 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3kk8 h SER 245 CO 0.08 1.02 0.11 0.25 -0.53 0.00 0.00 176.83 177.76 3kk8 h LEU 246 N 1.12 0.61 -0.73 2.23 5.85 -1.06 -1.31 115.31 122.01 3kk8 h LEU 246 Ca 0.24 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3kk8 h LEU 246 Cb 0.31 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3kk8 h LEU 246 CO -0.01 0.67 0.47 0.40 -0.34 0.00 0.00 178.44 179.63 3kk8 h ILE 247 N 0.52 1.12 -0.74 4.05 2.04 -0.99 -2.16 117.51 121.35 3kk8 h ILE 247 Ca 0.13 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3kk8 h ILE 247 Cb 0.29 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3kk8 h ILE 247 CO -0.00 0.17 0.39 0.44 0.00 0.00 0.00 178.15 179.15 3kk8 h ASP 248 N 0.93 0.92 -0.20 1.72 3.32 -0.56 0.13 116.42 122.67 3kk8 h ASP 248 Ca 0.29 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3kk8 h ASP 248 Cb -0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3kk8 h ASP 248 CO -0.10 0.75 -0.00 0.28 -1.72 0.00 0.00 179.24 178.45 3kk8 h SER 249 N 1.03 0.45 0.36 6.45 0.02 -0.73 -2.93 113.55 118.20 3kk8 h SER 249 Ca 0.26 -0.08 -0.32 0.00 -0.84 0.00 0.00 61.79 60.81 3kk8 h SER 249 Cb 0.04 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.48 3kk8 h SER 249 CO -0.04 0.52 -1.53 0.24 -1.14 0.00 0.00 176.83 174.88 3kk8 h MET 250 N 0.47 0.38 -1.93 3.45 2.86 -0.66 -2.56 114.93 116.93 3kk8 h MET 250 Ca 0.10 -0.65 -0.42 0.00 -2.06 0.00 0.00 59.70 56.67 3kk8 h MET 250 Cb 0.31 0.24 -0.15 0.00 0.06 0.00 0.00 31.60 32.06 3kk8 h MET 250 CO 0.01 1.28 0.27 1.28 1.06 0.00 0.00 176.91 180.81 3kk8 n LEU 251 N -3.58 6.27 -4.65 1.22 4.77 0.34 -4.03 117.00 117.35 3kk8 n LEU 251 Ca -0.17 -3.81 -0.38 0.00 -0.03 0.00 0.00 56.01 51.62 3kk8 n LEU 251 Cb 1.07 -1.24 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 3kk8 n LEU 251 CO 0.54 1.65 -0.04 -0.89 -1.33 0.00 0.00 177.39 177.32 3kk8 s THR 252 N -1.74 5.27 0.14 -5.08 2.01 -1.13 -4.88 115.64 110.23 3kk8 s THR 252 Ca 0.56 0.43 -0.14 0.00 0.31 0.00 0.00 61.69 62.85 3kk8 s THR 252 Cb 0.35 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 69.26 3kk8 s THR 252 CO -0.16 0.28 1.62 0.58 -0.69 0.00 0.00 174.62 176.25 3kk8 h VAL 253 N 5.11 1.25 -3.39 3.82 2.07 -1.90 -3.40 116.25 119.80 3kk8 h VAL 253 Ca -0.36 -0.93 -0.57 0.00 0.82 0.00 0.00 66.70 65.67 3kk8 h VAL 253 Cb 1.17 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3kk8 h VAL 253 CO 0.67 0.33 0.97 0.21 0.02 0.00 0.00 177.57 179.76 3kk8 s ASN 254 N -6.19 6.60 0.42 0.57 3.84 -1.26 -4.66 114.94 114.25 3kk8 s ASN 254 Ca -0.13 0.84 0.29 0.00 0.21 0.00 0.00 52.86 54.07 3kk8 s ASN 254 Cb 0.11 -2.54 1.41 0.00 -0.55 0.00 0.00 41.25 39.68 3kk8 s ASN 254 CO 0.80 -1.21 1.88 1.55 -2.79 0.00 0.00 177.10 177.33 3kk8 h PRO 255 N 9.49 0.00 0.00 0.43 0.13 -1.97 -0.29 132.00 139.79 3kk8 h PRO 255 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3kk8 h PRO 255 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3kk8 h PRO 255 CO 1.08 0.00 -0.06 0.87 -0.23 0.00 0.00 178.00 179.66 3kk8 h LYS 256 N 0.00 0.00 -0.04 0.86 1.57 -1.94 -3.00 116.57 114.02 3kk8 h LYS 256 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kk8 h LYS 256 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kk8 h LYS 256 CO 0.00 0.06 0.00 1.63 -0.57 0.00 0.00 179.45 180.57 3kk8 n LYS 257 N -3.14 1.59 -2.69 3.15 5.02 -0.14 -4.98 118.16 116.96 3kk8 n LYS 257 Ca 0.02 -1.62 -0.38 0.00 -2.02 0.00 0.00 58.31 54.31 3kk8 n LYS 257 Cb 0.44 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 3kk8 n LYS 257 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3kk8 s ARG 258 N -1.51 4.55 0.57 1.97 3.52 -1.07 -4.99 118.95 121.99 3kk8 s ARG 258 Ca 0.22 1.44 -0.21 0.00 -0.13 0.00 0.00 55.73 57.05 3kk8 s ARG 258 Cb 0.15 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3kk8 s ARG 258 CO 0.23 0.23 1.35 -1.50 -0.81 0.00 0.00 175.30 174.81 3kk8 s ILE 259 N -1.50 2.02 0.48 4.11 2.07 -0.96 -5.03 121.20 122.38 3kk8 s ILE 259 Ca 0.50 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.76 3kk8 s ILE 259 Cb -0.22 -3.01 0.01 0.00 0.13 0.00 0.00 42.46 39.38 3kk8 s ILE 259 CO 0.28 -0.00 0.70 0.42 -1.91 0.00 0.00 174.94 174.43 3kk8 s THR 260 N -1.31 3.43 0.16 4.00 -4.23 -1.26 -4.90 115.64 111.53 3kk8 s THR 260 Ca 0.74 -0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 3kk8 s THR 260 Cb -0.40 -3.27 0.04 0.00 1.34 0.00 0.00 72.50 70.21 3kk8 s THR 260 CO 0.47 -0.18 1.82 0.00 -0.54 0.00 0.00 174.62 176.19 3kk8 h ALA 261 N 0.30 0.58 -0.79 3.99 0.00 -1.96 0.20 119.26 121.59 3kk8 h ALA 261 Ca -0.44 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.51 3kk8 h ALA 261 Cb 1.27 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3kk8 h ALA 261 CO 0.55 0.02 0.46 -0.44 0.00 0.00 0.00 179.25 179.83 3kk8 h ASP 262 N 0.61 0.69 -0.50 0.00 3.32 -1.94 -2.24 116.42 116.37 3kk8 h ASP 262 Ca 0.17 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 3kk8 h ASP 262 Cb -0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3kk8 h ASP 262 CO -0.04 0.43 -0.20 1.56 -1.72 0.00 0.00 179.24 179.27 3kk8 h GLN 263 N 0.82 1.01 -0.10 3.56 4.20 -1.82 -3.11 115.11 119.67 3kk8 h GLN 263 Ca 0.36 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3kk8 h GLN 263 Cb 0.24 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3kk8 h GLN 263 CO -0.20 1.11 -0.22 0.00 -0.67 0.00 0.00 178.83 178.84 3kk8 h ALA 264 N 0.88 1.44 0.00 3.87 0.00 -0.53 -2.29 119.26 122.64 3kk8 h ALA 264 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kk8 h ALA 264 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kk8 h ALA 264 CO 0.06 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.99 3kk8 n LEU 265 N -4.21 0.13 -0.91 0.00 4.77 -0.88 -1.99 117.00 113.90 3kk8 n LEU 265 Ca -0.01 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 3kk8 n LEU 265 Cb 0.32 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3kk8 n LEU 265 CO 0.39 -0.26 0.60 0.29 -1.33 0.00 0.00 177.39 177.08 3kk8 n LYS 266 N -1.64 2.21 -2.40 3.23 5.02 -0.86 -4.54 118.16 119.18 3kk8 n LYS 266 Ca 0.04 -1.83 -0.41 0.00 -2.02 0.00 0.00 58.31 54.09 3kk8 n LYS 266 Cb 0.21 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 3kk8 n LYS 266 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kk8 s VAL 267 N -2.05 3.51 0.36 -0.18 1.01 -0.84 -4.83 120.40 117.39 3kk8 s VAL 267 Ca 0.27 1.36 0.12 0.00 0.00 0.00 0.00 61.98 63.73 3kk8 s VAL 267 Cb 0.20 -3.87 0.34 0.00 0.00 0.00 0.00 36.38 33.05 3kk8 s VAL 267 CO 0.33 0.26 1.82 -0.65 0.00 0.00 0.00 175.10 176.86 3kk8 h PRO 268 N 4.68 0.57 0.00 2.72 0.11 -1.93 0.30 132.00 138.45 3kk8 h PRO 268 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kk8 h PRO 268 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kk8 h PRO 268 CO 0.71 0.38 -0.00 2.35 -0.21 0.00 0.00 178.00 181.23 3kk8 h TRP 269 N 0.59 0.00 0.06 0.65 7.01 -1.91 0.34 115.95 122.68 3kk8 h TRP 269 Ca 0.52 0.00 -0.21 0.00 2.11 0.00 0.00 58.89 61.30 3kk8 h TRP 269 Cb 1.02 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 3kk8 h TRP 269 CO -0.00 0.00 -1.12 0.82 -2.79 0.00 0.00 178.44 175.35 3kk8 h ILE 270 N 0.00 1.13 -0.24 2.65 1.08 -1.28 -3.43 117.51 117.43 3kk8 h ILE 270 Ca -0.00 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 3kk8 h ILE 270 Cb 0.01 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 3kk8 h ILE 270 CO 0.00 0.56 0.00 0.00 -0.69 0.00 0.00 178.15 178.03 3kk8 s ASN 272 N -1.03 6.19 -0.43 0.00 0.02 0.11 -4.98 114.94 114.83 3kk8 s ASN 272 Ca 0.16 -0.81 -0.29 0.00 -1.02 0.00 0.00 52.86 50.91 3kk8 s ASN 272 Cb 0.09 -2.45 0.02 0.00 0.02 0.00 0.00 41.25 38.92 3kk8 s ASN 272 CO 0.11 -1.51 1.27 -0.13 0.02 0.00 0.00 177.10 176.85 3kk8 s ARG 273 N 4.44 3.69 -0.45 -0.60 0.52 -1.26 -4.95 118.95 120.34 3kk8 s ARG 273 Ca 0.26 0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 55.98 3kk8 s ARG 273 Cb -0.14 -3.95 0.03 0.00 0.52 0.00 0.00 34.95 31.40 3kk8 s ARG 273 CO 0.12 -1.42 1.16 -2.00 0.02 0.00 0.00 175.30 173.18 3kk8 s GLU 274 N 4.61 3.75 -0.11 3.54 -6.30 -1.26 -4.91 118.70 118.02 3kk8 s GLU 274 Ca 0.54 0.67 0.14 0.00 -2.50 0.00 0.00 54.97 53.82 3kk8 s GLU 274 Cb -0.11 -3.90 0.26 0.00 0.00 0.00 0.00 34.13 30.38 3kk8 s GLU 274 CO 0.31 -1.34 1.13 0.54 0.02 0.00 0.00 175.26 175.92 3kk8 n ARG 275 N 7.75 0.98 -0.22 4.30 5.12 -1.26 -4.70 116.66 128.63 3kk8 n ARG 275 Ca 0.12 -2.34 -0.05 0.00 -1.93 0.00 0.00 57.85 53.66 3kk8 n ARG 275 Cb 0.49 -1.21 0.05 0.00 -1.16 0.00 0.00 32.46 30.63 3kk8 n ARG 275 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kk8 h VAL 276 N 2.13 1.11 -0.38 1.55 2.07 -1.99 -0.67 116.25 120.07 3kk8 h VAL 276 Ca -0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kk8 h VAL 276 Cb 1.15 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3kk8 h VAL 276 CO 0.01 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.74 3kk8 n ALA 277 N -2.29 2.70 -2.48 1.67 0.00 -1.26 -3.75 120.51 115.10 3kk8 n ALA 277 Ca 0.06 -0.82 -0.01 0.00 0.00 0.00 0.00 53.44 52.66 3kk8 n ALA 277 Cb 0.06 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.53 3kk8 n ALA 277 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kk8 n SER 278 N 0.59 0.18 -2.05 0.00 3.41 -0.96 -5.10 113.62 109.69 3kk8 n SER 278 Ca 0.14 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3kk8 n SER 278 Cb 0.48 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3kk8 n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kk8 n ALA 279 N -0.24 0.00 -1.77 7.33 0.00 -0.30 -4.91 120.51 120.62 3kk8 n ALA 279 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 3kk8 n ALA 279 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 3kk8 n ALA 279 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kk8 s ILE 280 N -0.87 3.08 -0.00 0.00 -4.36 -1.26 -5.01 121.20 112.77 3kk8 s ILE 280 Ca 0.00 0.72 -0.06 0.00 -0.26 0.00 0.00 60.65 61.06 3kk8 s ILE 280 Cb 0.00 -3.32 0.00 0.00 1.25 0.00 0.00 42.46 40.39 3kk8 s ILE 280 CO 0.00 -0.09 0.12 -1.38 0.24 0.00 0.00 174.94 173.82 3kk8 s HIS 281 N -1.66 0.04 0.27 1.37 -3.43 -1.26 -5.13 115.29 105.48 3kk8 s HIS 281 Ca 0.70 -0.09 -0.30 0.00 -0.80 0.00 0.00 55.06 54.57 3kk8 s HIS 281 Cb -0.26 -0.05 -0.10 0.00 -1.43 0.00 0.00 32.58 30.73 3kk8 s HIS 281 CO 0.31 -0.24 1.47 1.03 -2.00 0.00 0.00 174.74 175.31 3kk8 s ARG 282 N -1.13 4.23 -0.02 -0.38 0.52 -1.26 -5.03 118.95 115.89 3kk8 s ARG 282 Ca -0.12 2.38 0.05 0.00 -0.52 0.00 0.00 55.73 57.52 3kk8 s ARG 282 Cb -0.07 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 3kk8 s ARG 282 CO 0.01 -0.46 -0.18 -0.65 0.02 0.00 0.00 175.30 174.04 3kk8 s GLN 283 N -0.58 1.53 0.00 3.54 -0.21 -1.26 -5.29 119.66 117.38 3kk8 s GLN 283 Ca 0.59 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 55.33 3kk8 s GLN 283 Cb -0.43 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.13 3kk8 s GLN 283 CO 0.46 0.37 0.00 -0.25 -2.12 0.00 0.00 175.29 173.75 3kk8 n ASP 284 N 2.71 0.00 -3.68 5.90 8.00 -1.26 -5.27 116.55 122.95 3kk8 n ASP 284 Ca -0.15 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 3kk8 n ASP 284 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.55 3kk8 n ASP 284 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kk8 s VAL 286 N 0.00 0.00 -0.23 2.53 1.01 -1.26 -5.27 120.40 117.18 3kk8 s VAL 286 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 3kk8 s VAL 286 Cb 0.00 -0.77 0.11 0.00 0.00 0.00 0.00 36.38 35.72 3kk8 s VAL 286 CO 0.00 -0.00 0.26 -0.62 0.00 0.00 0.00 175.10 174.73 3kk8 s ASP 287 N 0.23 1.35 -0.30 3.32 -1.08 -1.26 -5.01 116.67 113.92 3kk8 s ASP 287 Ca -0.00 -0.31 0.08 0.00 -0.52 0.00 0.00 52.55 51.79 3kk8 s ASP 287 Cb -0.04 0.49 0.48 0.00 -1.46 0.00 0.00 42.92 42.39 3kk8 s ASP 287 CO 0.01 -0.34 1.40 0.00 0.52 0.00 0.00 175.17 176.76