#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku0 s LEU 2 N 0.00 4.18 0.49 0.99 1.43 -1.26 -4.84 118.68 119.68 3ku0 s LEU 2 Ca 0.00 0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 3ku0 s LEU 2 Cb 0.00 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 3ku0 s LEU 2 CO 0.00 -0.06 1.00 -1.81 0.23 0.00 0.00 176.35 175.72 3ku0 s ASP 3 N -2.29 6.50 -0.06 2.29 1.01 -1.26 -4.89 116.67 117.96 3ku0 s ASP 3 Ca 0.46 1.75 0.02 0.00 0.71 0.00 0.00 52.55 55.49 3ku0 s ASP 3 Cb -0.12 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.29 3ku0 s ASP 3 CO 0.21 -0.67 -0.10 -0.89 0.21 0.00 0.00 175.17 173.93 3ku0 s THR 4 N -2.27 0.96 -0.12 -1.27 2.01 -1.26 -1.13 115.64 112.56 3ku0 s THR 4 Ca 0.63 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.26 3ku0 s THR 4 Cb -0.12 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 3ku0 s THR 4 CO 0.23 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.64 3ku0 s VAL 5 N 0.76 2.88 0.20 3.82 1.01 0.32 -4.98 120.40 124.41 3ku0 s VAL 5 Ca -0.13 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3ku0 s VAL 5 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3ku0 s VAL 5 CO 0.02 0.53 0.04 -0.44 0.00 0.00 0.00 175.10 175.25 3ku0 s SER 6 N 0.31 4.90 -0.19 3.32 0.01 -1.26 -0.62 113.70 120.17 3ku0 s SER 6 Ca -0.12 -0.39 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 3ku0 s SER 6 Cb -0.16 -1.08 0.07 0.00 0.21 0.00 0.00 66.02 65.06 3ku0 s SER 6 CO 0.06 0.06 0.44 0.12 0.41 0.00 0.00 173.24 174.33 3ku0 s PHE 7 N -1.89 -0.69 -0.04 2.43 5.36 -0.48 -4.92 117.98 117.75 3ku0 s PHE 7 Ca 0.29 1.43 0.03 0.00 -0.96 0.00 0.00 56.93 57.72 3ku0 s PHE 7 Cb -0.09 0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 42.88 3ku0 s PHE 7 CO 0.20 -0.39 -0.10 0.45 -1.46 0.00 0.00 175.22 173.92 3ku0 s SER 8 N 1.65 4.39 0.14 6.13 0.15 -1.26 -1.83 113.70 123.07 3ku0 s SER 8 Ca -0.08 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 56.67 3ku0 s SER 8 Cb -0.09 -1.01 0.37 0.00 -1.71 0.00 0.00 66.02 63.58 3ku0 s SER 8 CO -0.14 0.33 1.35 0.71 1.20 0.00 0.00 173.24 176.70 3ku0 h THR 9 N 4.12 0.00 -2.81 6.45 1.35 -1.36 -3.40 112.91 117.26 3ku0 h THR 9 Ca -0.48 -0.53 -0.57 0.00 -0.55 0.00 0.00 66.41 64.27 3ku0 h THR 9 Cb 1.16 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 3ku0 h THR 9 CO 0.52 0.00 1.20 -0.75 -0.25 0.00 0.00 175.52 176.24 3ku0 s LYS 10 N -3.17 3.50 -0.73 4.72 2.20 -1.26 -2.08 119.74 122.91 3ku0 s LYS 10 Ca 0.06 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 3ku0 s LYS 10 Cb 0.13 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 3ku0 s LYS 10 CO 0.71 -1.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.45 3ku0 n GLY 11 N 5.17 0.79 3.77 5.54 0.00 -1.26 -4.99 105.19 114.22 3ku0 n GLY 11 Ca 0.21 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 3ku0 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku0 s ALA 12 N -2.28 3.03 0.27 4.61 0.00 -0.88 -5.02 121.76 121.48 3ku0 s ALA 12 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3ku0 s ALA 12 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 3ku0 s ALA 12 CO 0.00 -0.55 0.07 0.95 0.00 0.00 0.00 175.76 176.23 3ku0 s THR 13 N -1.54 0.80 0.57 0.00 -4.23 -1.26 -5.01 115.64 104.97 3ku0 s THR 13 Ca 0.61 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.38 3ku0 s THR 13 Cb -0.28 -2.61 0.35 0.00 1.34 0.00 0.00 72.50 71.30 3ku0 s THR 13 CO 0.34 -0.07 2.11 0.10 -0.54 0.00 0.00 174.62 176.56 3ku0 h TYR 14 N 2.34 0.00 0.04 3.99 -0.00 -1.97 -2.18 116.97 119.18 3ku0 h TYR 14 Ca -0.39 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.18 3ku0 h TYR 14 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.99 3ku0 h TYR 14 CO 0.51 0.00 -0.64 0.82 -0.00 0.00 0.00 178.16 178.85 3ku0 h ILE 15 N 0.00 1.46 -0.04 -0.90 1.08 -1.95 -2.71 117.51 114.45 3ku0 h ILE 15 Ca 0.09 -2.19 -0.06 0.00 -0.39 0.00 0.00 64.86 62.30 3ku0 h ILE 15 Cb 0.44 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.94 3ku0 h ILE 15 CO -0.00 0.63 -0.26 0.71 -0.69 0.00 0.00 178.15 178.54 3ku0 h THR 16 N -0.19 1.21 -0.01 -0.27 1.35 -1.82 -0.81 112.91 112.36 3ku0 h THR 16 Ca -0.09 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3ku0 h THR 16 Cb 1.39 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3ku0 h THR 16 CO 0.12 0.28 0.00 0.22 -0.25 0.00 0.00 175.52 175.90 3ku0 h TYR 17 N 0.06 0.02 -0.52 4.73 3.20 -1.47 -1.62 116.97 121.37 3ku0 h TYR 17 Ca 0.01 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3ku0 h TYR 17 Cb 0.50 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3ku0 h TYR 17 CO 0.00 0.31 0.00 0.28 -1.64 0.00 0.00 178.16 177.11 3ku0 h VAL 18 N -0.28 1.25 -0.21 1.81 2.07 -1.23 -1.79 116.25 117.87 3ku0 h VAL 18 Ca 0.00 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 3ku0 h VAL 18 Cb 0.30 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3ku0 h VAL 18 CO 0.00 0.38 -0.25 0.78 0.02 0.00 0.00 177.57 178.50 3ku0 h ASN 19 N 0.82 0.40 -0.06 0.57 -0.26 -1.14 -2.48 115.58 113.43 3ku0 h ASN 19 Ca 0.16 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 3ku0 h ASN 19 Cb 0.48 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.63 3ku0 h ASN 19 CO 0.02 0.65 0.03 0.15 -1.06 0.00 0.00 177.43 177.22 3ku0 h PHE 20 N 0.36 0.08 -0.74 1.19 3.57 -0.77 -2.05 116.94 118.59 3ku0 h PHE 20 Ca 0.06 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3ku0 h PHE 20 Cb 0.63 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 3ku0 h PHE 20 CO 0.02 0.17 0.49 -0.07 -2.23 0.00 0.00 178.31 176.69 3ku0 h LEU 21 N -0.03 0.80 -0.63 0.59 3.38 -1.12 -1.15 115.31 117.14 3ku0 h LEU 21 Ca 0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ku0 h LEU 21 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ku0 h LEU 21 CO -0.00 0.56 -0.28 0.78 0.09 0.00 0.00 178.44 179.59 3ku0 h ASN 22 N 0.93 0.00 -0.26 -0.43 2.35 -1.32 -1.25 115.58 115.60 3ku0 h ASN 22 Ca 0.29 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.86 3ku0 h ASN 22 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3ku0 h ASN 22 CO -0.08 0.28 -0.52 -0.08 -1.65 0.00 0.00 177.43 175.38 3ku0 h GLU 23 N 0.00 0.81 -0.42 0.81 4.81 -0.51 -2.87 114.58 117.22 3ku0 h GLU 23 Ca -0.00 -0.53 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 3ku0 h GLU 23 Cb 0.98 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3ku0 h GLU 23 CO 0.04 1.16 -0.02 1.25 -0.73 0.00 0.00 179.01 180.70 3ku0 h LEU 24 N 0.57 0.74 -1.59 1.64 5.85 -1.05 -2.47 115.31 119.00 3ku0 h LEU 24 Ca 0.01 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3ku0 h LEU 24 Cb 1.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3ku0 h LEU 24 CO 0.12 0.88 0.33 0.03 -0.34 0.00 0.00 178.44 179.45 3ku0 h ARG 25 N 0.58 0.52 0.04 1.25 3.08 -1.22 -1.71 114.38 116.92 3ku0 h ARG 25 Ca 0.12 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3ku0 h ARG 25 Cb 0.51 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ku0 h ARG 25 CO 0.02 0.35 -0.02 0.28 -1.07 0.00 0.00 179.97 179.53 3ku0 h VAL 26 N 0.54 1.30 0.00 2.04 2.07 -1.31 -3.25 116.25 117.64 3ku0 h VAL 26 Ca 0.20 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3ku0 h VAL 26 Cb 0.13 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3ku0 h VAL 26 CO -0.05 0.30 0.00 0.29 0.02 0.00 0.00 177.57 178.13 3ku0 n LYS 27 N -4.86 0.11 0.18 1.57 5.02 -0.95 -0.93 118.16 118.30 3ku0 n LYS 27 Ca -0.09 0.39 0.14 0.00 -2.02 0.00 0.00 58.31 56.73 3ku0 n LYS 27 Cb 0.27 -1.72 0.47 0.00 -0.02 0.00 0.00 35.03 34.03 3ku0 n LYS 27 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3ku0 h LEU 28 N 0.00 0.00 -3.21 -0.35 3.38 -1.35 -3.48 115.31 110.30 3ku0 h LEU 28 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3ku0 h LEU 28 Cb 0.27 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.04 3ku0 h LEU 28 CO 0.00 0.00 -0.71 0.29 0.09 0.00 0.00 178.44 178.11 3ku0 n LYS 29 N -2.59 -1.36 -1.25 1.13 5.02 -0.10 -4.84 118.16 114.17 3ku0 n LYS 29 Ca 0.03 0.90 -0.32 0.00 -2.02 0.00 0.00 58.31 56.90 3ku0 n LYS 29 Cb 0.34 -3.78 0.10 0.00 -0.02 0.00 0.00 35.03 31.67 3ku0 n LYS 29 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ku0 s PRO 30 N -4.63 2.01 -0.28 1.97 0.04 -1.26 -4.57 135.00 128.27 3ku0 s PRO 30 Ca 0.12 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.61 3ku0 s PRO 30 Cb -0.05 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.70 3ku0 s PRO 30 CO 0.85 -1.87 -0.06 -1.21 0.04 0.00 0.00 177.00 174.74 3ku0 s GLU 31 N -4.45 2.38 2.23 4.56 2.02 0.11 -4.90 118.70 120.64 3ku0 s GLU 31 Ca 0.67 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 54.38 3ku0 s GLU 31 Cb -0.22 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 30.99 3ku0 s GLU 31 CO 0.51 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.63 3ku0 n GLY 32 N 4.54 -1.08 3.83 -1.39 0.00 -1.26 -4.51 105.19 105.32 3ku0 n GLY 32 Ca -0.14 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 3ku0 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ku0 s ASN 33 N -4.00 -0.14 -0.13 1.61 2.20 -1.26 -1.92 114.94 111.31 3ku0 s ASN 33 Ca 0.00 -0.85 -0.03 0.00 -0.94 0.00 0.00 52.86 51.04 3ku0 s ASN 33 Cb 0.00 0.78 0.05 0.00 -2.00 0.00 0.00 41.25 40.07 3ku0 s ASN 33 CO 0.00 -1.49 0.05 -0.55 -2.94 0.00 0.00 177.10 172.17 3ku0 s SER 34 N -3.00 2.07 -1.63 3.54 0.15 -0.19 -4.79 113.70 109.85 3ku0 s SER 34 Ca 0.13 -0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.35 3ku0 s SER 34 Cb -0.05 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 3ku0 s SER 34 CO 0.09 -0.28 0.42 1.41 1.20 0.00 0.00 173.24 176.08 3ku0 n HIS 35 N 5.19 -1.67 0.00 3.44 8.25 -1.26 -1.67 115.22 127.50 3ku0 n HIS 35 Ca -0.07 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 3ku0 n HIS 35 Cb 0.49 -4.32 0.00 0.00 1.12 0.00 0.00 29.99 27.28 3ku0 n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ku0 n GLY 36 N -1.36 2.21 3.65 -1.41 0.00 -1.26 -5.02 105.19 102.00 3ku0 n GLY 36 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3ku0 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ku0 s ILE 37 N -2.51 5.06 0.16 -0.61 1.01 -0.67 -5.02 121.20 118.62 3ku0 s ILE 37 Ca 0.00 1.05 -0.34 0.00 0.00 0.00 0.00 60.65 61.36 3ku0 s ILE 37 Cb 0.00 -3.89 -0.15 0.00 0.01 0.00 0.00 42.46 38.44 3ku0 s ILE 37 CO 0.00 0.13 1.43 -0.81 0.00 0.00 0.00 174.94 175.69 3ku0 n PRO 38 N 5.04 1.76 -3.74 2.79 -0.04 -1.26 -1.02 135.00 138.54 3ku0 n PRO 38 Ca -0.03 0.63 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 3ku0 n PRO 38 Cb 0.50 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.52 3ku0 n PRO 38 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ku0 s LEU 39 N 0.59 3.50 0.72 1.53 2.96 -0.81 -1.11 118.68 126.06 3ku0 s LEU 39 Ca 0.77 -0.20 -0.15 0.00 -0.22 0.00 0.00 54.13 54.34 3ku0 s LEU 39 Cb -0.76 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.02 3ku0 s LEU 39 CO 0.44 -0.04 1.18 -0.76 -1.32 0.00 0.00 176.35 175.86 3ku0 s LEU 40 N 1.63 3.31 0.49 -0.68 1.43 -0.31 0.03 118.68 124.58 3ku0 s LEU 40 Ca 0.06 2.27 -0.24 0.00 -1.03 0.00 0.00 54.13 55.20 3ku0 s LEU 40 Cb -0.15 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.42 3ku0 s LEU 40 CO 0.04 -2.16 1.42 -0.13 0.23 0.00 0.00 176.35 175.75 3ku0 s ARG 41 N -3.98 3.45 -0.07 1.70 0.52 -1.26 -4.29 118.95 115.02 3ku0 s ARG 41 Ca 0.72 2.38 -0.13 0.00 -0.52 0.00 0.00 55.73 58.18 3ku0 s ARG 41 Cb -0.27 -2.50 -0.09 0.00 0.52 0.00 0.00 34.95 32.61 3ku0 s ARG 41 CO 0.45 -0.99 0.51 -0.22 0.02 0.00 0.00 175.30 175.07 3ku0 h LYS 42 N 1.97 -0.24 -6.60 3.54 3.64 -1.92 -3.41 116.57 113.54 3ku0 h LYS 42 Ca -0.51 0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.23 3ku0 h LYS 42 Cb 1.28 0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.98 3ku0 h LYS 42 CO 0.59 0.01 -0.78 -1.59 -2.27 0.00 0.00 179.45 175.41 3ku0 s LYS 43 N -2.72 1.78 0.00 1.90 -2.85 -1.26 -4.97 119.74 111.61 3ku0 s LYS 43 Ca -0.08 -1.32 0.00 0.00 -1.00 0.00 0.00 55.97 53.57 3ku0 s LYS 43 Cb 0.00 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 3ku0 s LYS 43 CO 0.26 0.44 0.00 0.00 0.10 0.00 0.00 175.35 176.15 3ku0 n ASP 45 N 0.00 3.12 -4.51 0.00 8.00 -1.26 -4.87 116.55 117.03 3ku0 n ASP 45 Ca 0.00 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.08 3ku0 n ASP 45 Cb 0.00 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 3ku0 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ku0 s ASP 46 N -1.84 6.34 0.53 -2.24 2.15 -1.26 -4.89 116.67 115.46 3ku0 s ASP 46 Ca 0.32 -0.40 0.32 0.00 0.43 0.00 0.00 52.55 53.22 3ku0 s ASP 46 Cb 0.21 -2.38 1.74 0.00 -0.30 0.00 0.00 42.92 42.19 3ku0 s ASP 46 CO 0.31 -1.03 1.97 -0.65 -0.17 0.00 0.00 175.17 175.59 3ku0 h PRO 47 N 9.12 0.00 0.00 4.34 0.11 -1.90 -1.04 132.00 142.63 3ku0 h PRO 47 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ku0 h PRO 47 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ku0 h PRO 47 CO 1.01 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.58 3ku0 h GLY 48 N 0.00 0.00 -1.53 -0.55 0.00 -1.90 -3.35 103.07 95.74 3ku0 h GLY 48 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3ku0 h GLY 48 CO 0.00 0.00 -0.17 0.58 0.00 0.00 0.00 176.54 176.95 3ku0 n LYS 49 N -3.00 0.00 -0.31 4.80 2.85 -0.60 -4.33 118.16 117.57 3ku0 n LYS 49 Ca -0.01 -0.57 0.08 0.00 -1.05 0.00 0.00 58.31 56.76 3ku0 n LYS 49 Cb 0.19 0.32 0.21 0.00 -0.65 0.00 0.00 35.03 35.10 3ku0 n LYS 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ku0 s PHE 51 N -2.60 0.41 -0.06 0.00 0.08 -1.26 -1.93 117.98 112.61 3ku0 s PHE 51 Ca 0.36 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 56.89 3ku0 s PHE 51 Cb 0.29 -0.27 -0.01 0.00 -0.57 0.00 0.00 43.02 42.46 3ku0 s PHE 51 CO 0.08 -0.18 -0.25 0.08 -0.10 0.00 0.00 175.22 174.85 3ku0 s VAL 52 N -1.73 2.07 -0.18 -0.44 1.01 -0.12 -4.32 120.40 116.68 3ku0 s VAL 52 Ca -0.12 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 3ku0 s VAL 52 Cb -0.08 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3ku0 s VAL 52 CO -0.02 0.57 0.23 -0.76 0.00 0.00 0.00 175.10 175.13 3ku0 s LEU 53 N -0.11 4.22 -0.27 3.92 1.43 -0.28 -1.12 118.68 126.46 3ku0 s LEU 53 Ca -0.05 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3ku0 s LEU 53 Cb -0.14 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.83 3ku0 s LEU 53 CO 0.04 0.11 0.01 -0.69 0.23 0.00 0.00 176.35 176.05 3ku0 s VAL 54 N 0.53 3.44 -0.55 -1.59 1.01 0.71 -0.52 120.40 123.43 3ku0 s VAL 54 Ca 0.13 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3ku0 s VAL 54 Cb -0.12 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.59 3ku0 s VAL 54 CO 0.02 0.17 0.71 0.00 0.00 0.00 0.00 175.10 176.01 3ku0 s ALA 55 N 1.43 3.35 -0.26 5.51 0.00 0.20 0.38 121.76 132.37 3ku0 s ALA 55 Ca 0.02 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.00 3ku0 s ALA 55 Cb -0.17 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3ku0 s ALA 55 CO -0.01 -2.22 0.32 -0.51 0.00 0.00 0.00 175.76 173.34 3ku0 s LEU 56 N 2.91 4.06 -0.03 0.00 1.43 -0.11 -1.39 118.68 125.56 3ku0 s LEU 56 Ca 0.16 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3ku0 s LEU 56 Cb -0.20 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 3ku0 s LEU 56 CO 0.11 -0.12 -0.15 -0.94 0.23 0.00 0.00 176.35 175.48 3ku0 s SER 57 N 1.52 1.85 0.15 2.29 1.04 -0.76 -1.12 113.70 118.66 3ku0 s SER 57 Ca 0.13 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3ku0 s SER 57 Cb -0.15 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.59 3ku0 s SER 57 CO 0.09 0.15 0.00 -0.46 0.98 0.00 0.00 173.24 174.01 3ku0 n ASN 58 N 2.98 0.00 0.27 7.02 0.23 -0.62 -1.05 115.26 124.09 3ku0 n ASN 58 Ca -0.17 -0.97 0.11 0.00 -0.53 0.00 0.00 54.58 53.03 3ku0 n ASN 58 Cb 0.54 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.98 3ku0 n ASN 58 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3ku0 h ASP 59 N 0.00 0.00 -0.60 0.53 5.19 -1.90 -2.68 116.42 116.96 3ku0 h ASP 59 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ku0 h ASP 59 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3ku0 h ASP 59 CO 0.00 0.07 0.00 0.59 -3.12 0.00 0.00 179.24 176.78 3ku0 n ASN 60 N -3.98 4.50 0.00 6.45 3.02 -1.26 -4.93 115.26 119.06 3ku0 n ASN 60 Ca -0.03 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.08 3ku0 n ASN 60 Cb 0.16 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3ku0 n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ku0 n GLY 61 N 1.05 1.09 3.75 7.41 0.00 -1.01 -5.01 105.19 112.46 3ku0 n GLY 61 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3ku0 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ku0 s GLN 62 N -0.10 4.36 0.03 1.61 -0.21 -1.26 -4.81 119.66 119.29 3ku0 s GLN 62 Ca 0.00 2.14 0.07 0.00 0.02 0.00 0.00 55.36 57.58 3ku0 s GLN 62 Cb 0.00 -3.15 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 3ku0 s GLN 62 CO 0.00 -0.26 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.54 3ku0 s LEU 63 N -0.53 2.14 -0.05 2.90 2.96 -1.26 -1.58 118.68 123.26 3ku0 s LEU 63 Ca 0.55 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3ku0 s LEU 63 Cb -0.38 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.43 3ku0 s LEU 63 CO 0.42 0.15 0.04 0.00 -1.32 0.00 0.00 176.35 175.65 3ku0 s ALA 64 N -0.74 0.35 -0.31 5.97 0.00 -0.28 -4.49 121.76 122.25 3ku0 s ALA 64 Ca 0.06 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 3ku0 s ALA 64 Cb -0.08 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3ku0 s ALA 64 CO 0.01 -0.47 0.21 -2.00 0.00 0.00 0.00 175.76 173.51 3ku0 s GLU 65 N 2.09 3.66 -0.14 0.00 2.12 -0.03 -0.93 118.70 125.47 3ku0 s GLU 65 Ca 0.05 -0.52 -0.13 0.00 0.36 0.00 0.00 54.97 54.73 3ku0 s GLU 65 Cb -0.12 -3.71 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 3ku0 s GLU 65 CO -0.04 -0.33 0.28 0.42 -0.54 0.00 0.00 175.26 175.05 3ku0 s ILE 66 N 1.72 5.30 -0.31 -3.70 -1.09 0.16 -0.67 121.20 122.62 3ku0 s ILE 66 Ca 0.06 0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 58.83 3ku0 s ILE 66 Cb -0.17 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 3ku0 s ILE 66 CO 0.10 0.45 0.43 0.00 -1.23 0.00 0.00 174.94 174.69 3ku0 s ALA 67 N 0.08 3.53 -0.17 9.38 0.00 -0.30 -0.21 121.76 134.07 3ku0 s ALA 67 Ca 0.17 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3ku0 s ALA 67 Cb -0.13 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 3ku0 s ALA 67 CO 0.05 -0.92 -0.10 0.42 0.00 0.00 0.00 175.76 175.21 3ku0 s ILE 68 N 2.19 3.11 0.16 0.00 -1.09 -0.28 -1.69 121.20 123.60 3ku0 s ILE 68 Ca 0.16 -0.61 -0.31 0.00 -2.23 0.00 0.00 60.65 57.66 3ku0 s ILE 68 Cb -0.16 -2.35 -0.09 0.00 -1.58 0.00 0.00 42.46 38.28 3ku0 s ILE 68 CO 0.11 0.49 1.43 -0.62 -1.23 0.00 0.00 174.94 175.11 3ku0 s ASP 69 N 0.88 6.75 0.00 3.58 -1.08 -0.08 -0.94 116.67 125.78 3ku0 s ASP 69 Ca -0.03 2.46 0.25 0.00 -0.52 0.00 0.00 52.55 54.71 3ku0 s ASP 69 Cb -0.15 -2.60 1.09 0.00 -1.46 0.00 0.00 42.92 39.81 3ku0 s ASP 69 CO 0.00 -0.68 1.80 1.33 0.52 0.00 0.00 175.17 178.14 3ku0 n VAL 70 N 3.49 0.28 0.27 1.11 0.24 -0.81 -0.10 118.33 122.81 3ku0 n VAL 70 Ca 0.10 0.07 0.11 0.00 -2.04 0.00 0.00 64.34 62.59 3ku0 n VAL 70 Cb 0.41 -0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 32.08 3ku0 n VAL 70 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ku0 n THR 71 N -1.47 0.22 -0.56 3.34 -2.24 -1.26 -4.32 114.28 108.00 3ku0 n THR 71 Ca 0.07 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3ku0 n THR 71 Cb 0.28 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3ku0 n THR 71 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ku0 n SER 72 N -2.23 0.03 -1.77 3.42 3.41 -1.22 -4.57 113.62 110.69 3ku0 n SER 72 Ca -0.01 -0.60 -0.18 0.00 -0.26 0.00 0.00 58.87 57.82 3ku0 n SER 72 Cb 0.51 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3ku0 n SER 72 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ku0 n VAL 73 N -0.02 -0.46 -2.67 -3.33 0.31 0.86 -4.95 118.33 108.07 3ku0 n VAL 73 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3ku0 n VAL 73 Cb 0.14 -2.27 -0.03 0.00 -0.91 0.00 0.00 33.84 30.76 3ku0 n VAL 73 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3ku0 s TYR 74 N -2.81 3.66 -0.26 3.52 5.04 -1.23 -4.70 117.35 120.57 3ku0 s TYR 74 Ca 0.00 1.67 -0.29 0.00 -2.44 0.00 0.00 57.07 56.01 3ku0 s TYR 74 Cb 0.00 -3.15 0.01 0.00 0.35 0.00 0.00 41.96 39.17 3ku0 s TYR 74 CO 0.00 -0.14 1.15 0.08 -1.34 0.00 0.00 175.55 175.30 3ku0 s VAL 75 N 0.74 4.43 -0.11 3.14 1.01 -1.26 -0.90 120.40 127.45 3ku0 s VAL 75 Ca 0.52 1.68 0.20 0.00 0.00 0.00 0.00 61.98 64.38 3ku0 s VAL 75 Cb -0.23 -4.25 -0.30 0.00 0.00 0.00 0.00 36.38 31.60 3ku0 s VAL 75 CO 0.29 -0.33 0.29 1.33 0.00 0.00 0.00 175.10 176.68 3ku0 n VAL 76 N 5.70 0.63 -0.93 2.92 0.24 -0.68 -4.92 118.33 121.28 3ku0 n VAL 76 Ca 0.13 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3ku0 n VAL 76 Cb 0.46 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3ku0 n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ku0 n GLY 77 N 1.48 -1.30 3.53 7.63 0.00 -1.25 -1.33 105.19 113.95 3ku0 n GLY 77 Ca -0.17 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 3ku0 n GLY 77 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ku0 s TYR 78 N -2.30 -0.20 -0.03 1.61 1.13 -0.45 -1.14 117.35 115.96 3ku0 s TYR 78 Ca 0.00 -0.13 0.07 0.00 -1.41 0.00 0.00 57.07 55.60 3ku0 s TYR 78 Cb 0.00 0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 3ku0 s TYR 78 CO 0.00 -0.93 -0.24 -1.14 -2.51 0.00 0.00 175.55 170.72 3ku0 s GLN 79 N -3.85 2.18 -0.04 -3.49 0.74 0.15 -0.99 119.66 114.37 3ku0 s GLN 79 Ca 0.08 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 3ku0 s GLN 79 Cb -0.01 -2.00 0.03 0.00 1.10 0.00 0.00 33.01 32.13 3ku0 s GLN 79 CO -0.04 0.47 0.04 0.14 -0.55 0.00 0.00 175.29 175.35 3ku0 s VAL 80 N -0.41 -0.01 0.00 1.34 -7.23 -0.10 -0.85 120.40 113.15 3ku0 s VAL 80 Ca 0.04 0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 3ku0 s VAL 80 Cb -0.11 -0.19 0.00 0.00 0.56 0.00 0.00 36.38 36.64 3ku0 s VAL 80 CO 0.01 0.16 0.00 0.54 -0.31 0.00 0.00 175.10 175.50 3ku0 n ARG 81 N 4.90 0.00 -1.00 4.82 1.74 -1.26 -1.63 116.66 124.22 3ku0 n ARG 81 Ca -0.12 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.92 3ku0 n ARG 81 Cb 0.50 0.00 0.32 0.00 -1.02 0.00 0.00 32.46 32.26 3ku0 n ARG 81 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3ku0 n ASN 82 N 5.36 5.02 -4.29 0.55 2.04 -1.26 -4.95 115.26 117.73 3ku0 n ASN 82 Ca 0.00 -3.15 -0.17 0.00 -0.44 0.00 0.00 54.58 50.82 3ku0 n ASN 82 Cb 0.00 -0.74 -0.10 0.00 -2.53 0.00 0.00 39.78 36.41 3ku0 n ASN 82 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 3ku0 s ARG 83 N -2.92 1.16 0.02 -3.83 0.52 -0.65 -1.07 118.95 112.18 3ku0 s ARG 83 Ca 0.55 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 3ku0 s ARG 83 Cb 0.43 -0.89 -0.02 0.00 0.52 0.00 0.00 34.95 34.99 3ku0 s ARG 83 CO 0.14 0.14 -0.03 -1.54 0.02 0.00 0.00 175.30 174.04 3ku0 s SER 84 N -3.05 0.25 -0.03 0.23 1.04 -1.01 -0.92 113.70 110.22 3ku0 s SER 84 Ca 0.17 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.17 3ku0 s SER 84 Cb -0.01 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.21 3ku0 s SER 84 CO 0.04 -0.26 -0.09 -0.31 0.98 0.00 0.00 173.24 173.60 3ku0 s TYR 85 N -1.31 0.95 0.04 5.02 1.51 -0.16 -1.53 117.35 121.87 3ku0 s TYR 85 Ca -0.14 -0.25 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 3ku0 s TYR 85 Cb -0.09 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 3ku0 s TYR 85 CO -0.01 -0.12 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.01 3ku0 s PHE 86 N 0.30 2.14 0.60 2.71 0.08 -0.07 -1.34 117.98 122.40 3ku0 s PHE 86 Ca -0.05 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.42 3ku0 s PHE 86 Cb -0.10 -1.29 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 3ku0 s PHE 86 CO 0.01 0.10 1.21 -0.06 -0.10 0.00 0.00 175.22 176.38 3ku0 s PHE 87 N -0.78 2.36 0.37 0.36 2.99 -0.44 0.18 117.98 123.02 3ku0 s PHE 87 Ca 0.10 1.52 0.13 0.00 0.00 0.00 0.00 56.93 58.68 3ku0 s PHE 87 Cb -0.10 -3.48 0.94 0.00 0.00 0.00 0.00 43.02 40.38 3ku0 s PHE 87 CO 0.02 -2.25 1.84 -0.22 -0.00 0.00 0.00 175.22 174.60 3ku0 h LYS 88 N 0.79 0.55 -0.09 0.44 1.63 -1.02 -0.83 116.57 118.04 3ku0 h LYS 88 Ca -0.50 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 3ku0 h LYS 88 Cb 1.30 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 3ku0 h LYS 88 CO 0.55 0.36 0.00 -0.40 -3.45 0.00 0.00 179.45 176.51 3ku0 n ASP 89 N -4.58 1.25 -4.74 4.20 5.75 -1.26 -4.93 116.55 112.24 3ku0 n ASP 89 Ca 0.20 -1.55 -0.42 0.00 -0.01 0.00 0.00 54.79 53.01 3ku0 n ASP 89 Cb 0.62 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 3ku0 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ku0 n ALA 90 N 0.02 2.70 -1.75 2.12 0.00 -0.32 -4.91 120.51 118.37 3ku0 n ALA 90 Ca 0.17 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 3ku0 n ALA 90 Cb 0.28 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.23 3ku0 n ALA 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ku0 n PRO 91 N 2.94 2.61 -0.23 0.00 -0.04 -1.26 -4.76 135.00 134.26 3ku0 n PRO 91 Ca 0.12 0.92 0.21 0.00 -0.04 0.00 0.00 63.50 64.71 3ku0 n PRO 91 Cb 0.36 -2.65 0.56 0.00 -0.04 0.00 0.00 33.50 31.73 3ku0 n PRO 91 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ku0 h ASP 92 N 3.64 0.32 0.08 3.54 3.32 -1.98 0.28 116.42 125.62 3ku0 h ASP 92 Ca -0.49 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 3ku0 h ASP 92 Cb 1.24 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3ku0 h ASP 92 CO 0.70 0.12 -0.25 0.00 -1.72 0.00 0.00 179.24 178.09 3ku0 h ALA 93 N 1.60 1.27 -0.01 3.45 0.00 -1.94 -2.26 119.26 121.37 3ku0 h ALA 93 Ca 0.46 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3ku0 h ALA 93 Cb 1.29 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ku0 h ALA 93 CO -0.15 0.49 -0.59 0.00 0.00 0.00 0.00 179.25 179.00 3ku0 h ALA 94 N 1.48 0.09 -0.81 0.00 0.00 -0.84 -1.04 119.26 118.13 3ku0 h ALA 94 Ca 0.04 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.49 3ku0 h ALA 94 Cb 0.59 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3ku0 h ALA 94 CO 0.04 0.36 0.53 -0.92 0.00 0.00 0.00 179.25 179.26 3ku0 h TYR 95 N -0.07 0.78 0.17 0.00 3.20 -1.14 -2.10 116.97 117.81 3ku0 h TYR 95 Ca -0.07 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.48 3ku0 h TYR 95 Cb 1.30 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 39.32 3ku0 h TYR 95 CO 0.14 0.36 -1.70 0.93 -1.64 0.00 0.00 178.16 176.25 3ku0 h GLU 96 N 0.72 0.36 0.00 1.82 4.39 -1.41 -3.39 114.58 117.07 3ku0 h GLU 96 Ca 0.38 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3ku0 h GLU 96 Cb 0.49 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3ku0 h GLU 96 CO -0.15 1.27 -0.28 0.41 -1.16 0.00 0.00 179.01 179.10 3ku0 n GLY 97 N 1.81 -1.53 3.86 -3.84 0.00 -0.40 -4.78 105.19 100.31 3ku0 n GLY 97 Ca -0.23 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3ku0 n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ku0 s LEU 98 N -4.07 4.09 -1.29 0.99 1.43 -0.81 -4.64 118.68 114.39 3ku0 s LEU 98 Ca 0.09 0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 3ku0 s LEU 98 Cb 0.14 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.67 3ku0 s LEU 98 CO 0.64 0.15 0.53 0.49 0.23 0.00 0.00 176.35 178.39 3ku0 n PHE 99 N 0.19 -1.43 -0.25 0.29 0.99 -1.26 -4.87 117.46 111.12 3ku0 n PHE 99 Ca -0.07 0.26 -0.04 0.00 -0.00 0.00 0.00 57.45 57.60 3ku0 n PHE 99 Cb 0.52 -2.91 0.07 0.00 -1.00 0.00 0.00 39.48 36.15 3ku0 n PHE 99 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3ku0 h LYS 100 N -2.34 0.88 -3.04 -1.08 1.57 -1.86 -3.25 116.57 107.45 3ku0 h LYS 100 Ca -0.69 -0.05 -0.78 0.00 -1.87 0.00 0.00 60.65 57.25 3ku0 h LYS 100 Cb 1.40 -0.20 -0.21 0.00 0.08 0.00 0.00 32.23 33.30 3ku0 h LYS 100 CO 0.56 0.59 1.55 0.09 -0.57 0.00 0.00 179.45 181.67 3ku0 n ASN 101 N -4.63 6.19 -3.71 0.86 3.02 -1.26 -4.89 115.26 110.85 3ku0 n ASN 101 Ca 0.07 -3.28 -0.10 0.00 -0.03 0.00 0.00 54.58 51.24 3ku0 n ASN 101 Cb 0.05 -1.36 -0.05 0.00 -0.61 0.00 0.00 39.78 37.81 3ku0 n ASN 101 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ku0 s THR 102 N -1.43 0.08 -0.59 3.41 -4.23 -1.23 -4.89 115.64 106.76 3ku0 s THR 102 Ca 0.38 -0.77 -0.26 0.00 -1.18 0.00 0.00 61.69 59.87 3ku0 s THR 102 Cb 0.10 -1.30 0.04 0.00 1.34 0.00 0.00 72.50 72.68 3ku0 s THR 102 CO 0.02 -0.35 1.07 -0.63 -0.54 0.00 0.00 174.62 174.18 3ku0 s ILE 103 N -3.83 4.18 0.26 2.99 1.01 -0.23 -4.86 121.20 120.71 3ku0 s ILE 103 Ca 0.05 0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.91 3ku0 s ILE 103 Cb 0.02 -4.66 -0.09 0.00 0.01 0.00 0.00 42.46 37.74 3ku0 s ILE 103 CO -0.10 -1.30 0.87 -0.54 0.00 0.00 0.00 174.94 173.87 3ku0 s LYS 104 N 4.51 4.59 -0.04 2.79 1.02 -1.26 -2.39 119.74 128.96 3ku0 s LYS 104 Ca 0.35 1.26 -0.01 0.00 0.02 0.00 0.00 55.97 57.59 3ku0 s LYS 104 Cb -0.11 -3.01 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3ku0 s LYS 104 CO 0.20 0.41 0.03 0.99 -0.92 0.00 0.00 175.35 176.06 3ku0 s THR 105 N -1.41 0.04 -0.31 2.17 2.01 -0.58 -4.97 115.64 112.60 3ku0 s THR 105 Ca 0.44 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.52 3ku0 s THR 105 Cb -0.21 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 3ku0 s THR 105 CO 0.26 0.16 0.47 -0.60 -0.69 0.00 0.00 174.62 174.22 3ku0 s ARG 106 N 1.59 3.84 0.72 4.92 3.52 -1.26 -0.89 118.95 131.38 3ku0 s ARG 106 Ca -0.02 0.00 -0.15 0.00 -0.13 0.00 0.00 55.73 55.43 3ku0 s ARG 106 Cb -0.13 -3.73 0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3ku0 s ARG 106 CO -0.03 -0.47 1.20 -0.51 -0.81 0.00 0.00 175.30 174.69 3ku0 s LEU 107 N 2.27 3.35 0.06 -0.88 1.43 0.13 -4.92 118.68 120.11 3ku0 s LEU 107 Ca 0.18 2.34 0.27 0.00 -1.03 0.00 0.00 54.13 55.89 3ku0 s LEU 107 Cb -0.16 -4.59 1.06 0.00 0.03 0.00 0.00 46.19 42.53 3ku0 s LEU 107 CO 0.11 -2.18 1.83 0.00 0.23 0.00 0.00 176.35 176.35 3ku0 n HIS 108 N -2.62 0.26 -4.34 0.29 1.44 -1.26 -3.36 115.22 105.64 3ku0 n HIS 108 Ca 0.13 0.08 -0.26 0.00 -2.01 0.00 0.00 57.72 55.66 3ku0 n HIS 108 Cb 0.50 -0.63 -0.10 0.00 0.12 0.00 0.00 29.99 29.89 3ku0 n HIS 108 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 3ku0 s PHE 109 N -3.04 2.53 0.83 -1.40 -0.12 -1.26 -4.85 117.98 110.68 3ku0 s PHE 109 Ca 0.12 -0.26 -0.09 0.00 -0.05 0.00 0.00 56.93 56.65 3ku0 s PHE 109 Cb 0.16 -1.22 0.18 0.00 -0.63 0.00 0.00 43.02 41.51 3ku0 s PHE 109 CO 0.51 0.54 1.13 0.41 -0.05 0.00 0.00 175.22 177.76 3ku0 n GLY 110 N -0.08 -0.52 0.90 1.99 0.00 -1.26 -0.89 105.19 105.34 3ku0 n GLY 110 Ca -0.10 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.19 3ku0 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ku0 n GLY 111 N -2.86 1.01 3.73 -0.02 0.00 -1.26 -4.41 105.19 101.37 3ku0 n GLY 111 Ca 0.16 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 3ku0 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ku0 s SER 112 N -1.77 3.73 0.12 1.61 1.04 -1.26 -4.84 113.70 112.33 3ku0 s SER 112 Ca 0.34 1.62 -0.16 0.00 0.48 0.00 0.00 55.95 58.23 3ku0 s SER 112 Cb 0.21 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 3ku0 s SER 112 CO 0.31 -2.50 1.59 1.88 0.98 0.00 0.00 173.24 175.50 3ku0 h TYR 113 N -1.45 0.65 -0.47 5.02 0.05 -1.98 -1.29 116.97 117.50 3ku0 h TYR 113 Ca -0.48 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.20 3ku0 h TYR 113 Cb 1.27 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 3ku0 h TYR 113 CO 0.47 0.67 0.25 -1.00 -1.05 0.00 0.00 178.16 177.50 3ku0 h PRO 114 N 0.44 0.64 -0.28 4.88 0.13 -1.95 -0.29 132.00 135.58 3ku0 h PRO 114 Ca 0.11 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 3ku0 h PRO 114 Cb 0.38 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 3ku0 h PRO 114 CO 0.01 0.48 -0.19 0.77 -0.23 0.00 0.00 178.00 178.84 3ku0 h SER 115 N 0.65 0.49 0.47 1.44 0.02 -1.79 -2.30 113.55 112.53 3ku0 h SER 115 Ca 0.17 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 3ku0 h SER 115 Cb 0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3ku0 h SER 115 CO -0.03 0.70 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.63 3ku0 h LEU 116 N 0.45 0.20 -1.36 5.07 3.38 -0.03 -2.61 115.31 120.41 3ku0 h LEU 116 Ca 0.07 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ku0 h LEU 116 Cb 0.59 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3ku0 h LEU 116 CO 0.04 0.80 -0.25 -0.33 0.09 0.00 0.00 178.44 178.78 3ku0 h GLU 117 N 0.12 0.00 0.00 1.13 5.08 -0.73 -0.42 114.58 119.75 3ku0 h GLU 117 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ku0 h GLU 117 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ku0 h GLU 117 CO 0.10 0.25 0.00 0.78 -1.00 0.00 0.00 179.01 179.14 3ku0 h GLY 118 N 1.51 0.00 -2.26 -3.84 0.00 -1.02 0.11 103.07 97.56 3ku0 h GLY 118 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3ku0 h GLY 118 CO 0.03 0.00 0.06 1.18 0.00 0.00 0.00 176.54 177.81 3ku0 n GLU 119 N -2.93 2.61 -1.37 4.80 -0.58 -0.25 -4.95 120.64 117.97 3ku0 n GLU 119 Ca -0.01 -3.02 -0.13 0.00 -0.42 0.00 0.00 57.16 53.58 3ku0 n GLU 119 Cb 0.16 -1.92 -0.05 0.00 -0.57 0.00 0.00 31.44 29.06 3ku0 n GLU 119 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ku0 n LYS 120 N -0.73 -0.99 -3.50 3.49 5.02 0.37 -4.57 118.16 117.26 3ku0 n LYS 120 Ca 0.32 0.93 -0.42 0.00 -2.02 0.00 0.00 58.31 57.12 3ku0 n LYS 120 Cb 1.08 -5.01 -0.09 0.00 -0.02 0.00 0.00 35.03 30.99 3ku0 n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ku0 s ALA 121 N -2.42 3.42 -0.06 7.82 0.00 -0.70 -4.97 121.76 124.84 3ku0 s ALA 121 Ca 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 51.96 49.92 3ku0 s ALA 121 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3ku0 s ALA 121 CO 0.00 -1.64 -0.11 0.71 0.00 0.00 0.00 175.76 174.72 3ku0 s TYR 122 N 1.55 2.81 0.22 0.00 2.02 -1.26 -2.96 117.35 119.72 3ku0 s TYR 122 Ca 0.03 -0.12 -0.09 0.00 -0.37 0.00 0.00 57.07 56.53 3ku0 s TYR 122 Cb -0.23 -1.68 0.17 0.00 -0.40 0.00 0.00 41.96 39.82 3ku0 s TYR 122 CO 0.05 0.22 1.86 0.00 -1.57 0.00 0.00 175.55 176.11 3ku0 h ARG 123 N 5.42 1.10 -0.75 -0.62 3.08 -1.96 -2.46 114.38 118.19 3ku0 h ARG 123 Ca -0.46 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 59.58 3ku0 h ARG 123 Cb 1.16 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 3ku0 h ARG 123 CO 0.52 0.77 0.49 0.93 -1.07 0.00 0.00 179.97 181.61 3ku0 h GLU 124 N 1.11 0.69 -0.36 0.04 3.07 -1.96 -2.96 114.58 114.22 3ku0 h GLU 124 Ca 0.29 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3ku0 h GLU 124 Cb -0.05 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.71 3ku0 h GLU 124 CO -0.06 0.45 0.00 0.25 -1.40 0.00 0.00 179.01 178.26 3ku0 n THR 125 N -4.49 2.00 -3.94 1.13 -2.24 -1.02 -4.78 114.28 100.94 3ku0 n THR 125 Ca 0.12 -1.56 -0.35 0.00 -2.27 0.00 0.00 64.05 59.99 3ku0 n THR 125 Cb 0.29 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 3ku0 n THR 125 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ku0 s THR 126 N -2.30 3.04 0.52 4.28 2.01 -0.96 -4.93 115.64 117.30 3ku0 s THR 126 Ca 0.40 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 3ku0 s THR 126 Cb 0.30 -2.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.27 3ku0 s THR 126 CO 0.13 0.27 1.24 -1.81 -0.69 0.00 0.00 174.62 173.76 3ku0 s ASP 127 N 1.38 5.62 0.10 3.53 -0.00 -1.26 -4.56 116.67 121.48 3ku0 s ASP 127 Ca 0.02 2.48 0.06 0.00 -0.00 0.00 0.00 52.55 55.11 3ku0 s ASP 127 Cb -0.16 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 40.12 3ku0 s ASP 127 CO -0.04 -1.31 -0.16 -0.76 -0.00 0.00 0.00 175.17 172.90 3ku0 s LEU 128 N -3.46 2.34 0.00 1.23 1.43 0.14 -4.86 118.68 115.50 3ku0 s LEU 128 Ca 0.70 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3ku0 s LEU 128 Cb -0.33 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.26 3ku0 s LEU 128 CO 0.38 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3ku0 n GLY 129 N 0.90 1.63 0.33 -3.19 0.00 -1.26 -1.73 105.19 101.87 3ku0 n GLY 129 Ca -0.18 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 3ku0 n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ku0 h ILE 130 N 2.90 1.23 -0.19 -0.61 6.09 -1.60 -2.00 117.51 123.33 3ku0 h ILE 130 Ca 0.00 -0.72 -0.05 0.00 -1.37 0.00 0.00 64.86 62.72 3ku0 h ILE 130 Cb 0.00 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 37.70 3ku0 h ILE 130 CO 0.00 0.29 -0.08 -0.08 -3.07 0.00 0.00 178.15 175.21 3ku0 h GLU 131 N 0.98 0.39 0.00 2.19 4.57 -1.85 -1.48 114.58 119.38 3ku0 h GLU 131 Ca 0.23 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 3ku0 h GLU 131 Cb 0.18 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3ku0 h GLU 131 CO -0.02 0.68 -0.08 -1.00 -1.18 0.00 0.00 179.01 177.42 3ku0 h PRO 132 N 0.09 0.00 -0.11 0.92 0.13 -1.85 -1.23 132.00 129.96 3ku0 h PRO 132 Ca 0.04 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.95 3ku0 h PRO 132 Cb 0.56 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.70 3ku0 h PRO 132 CO 0.03 0.08 -0.81 1.25 -0.23 0.00 0.00 178.00 178.31 3ku0 h LEU 133 N 0.00 0.89 -0.51 1.56 5.85 -1.09 -0.72 115.31 121.29 3ku0 h LEU 133 Ca -0.00 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.05 3ku0 h LEU 133 Cb 0.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3ku0 h LEU 133 CO 0.01 1.42 0.31 0.03 -0.34 0.00 0.00 178.44 179.86 3ku0 h ARG 134 N 0.44 0.69 -0.54 1.25 3.08 -0.54 -0.69 114.38 118.07 3ku0 h ARG 134 Ca -0.07 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 3ku0 h ARG 134 Cb 1.45 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 3ku0 h ARG 134 CO 0.16 0.50 -0.12 0.82 -1.07 0.00 0.00 179.97 180.27 3ku0 h ILE 135 N 0.68 1.27 -0.73 2.04 2.04 -1.25 -1.16 117.51 120.39 3ku0 h ILE 135 Ca 0.18 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 3ku0 h ILE 135 Cb -0.01 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3ku0 h ILE 135 CO -0.03 0.45 0.30 1.23 0.00 0.00 0.00 178.15 180.09 3ku0 h GLY 136 N 0.93 1.17 1.03 5.37 0.00 -0.79 0.53 103.07 111.31 3ku0 h GLY 136 Ca 0.14 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3ku0 h GLY 136 CO 0.05 0.60 -0.00 -2.22 0.00 0.00 0.00 176.54 174.97 3ku0 h ILE 137 N 1.05 1.26 -0.35 2.60 2.04 -0.99 -1.91 117.51 121.22 3ku0 h ILE 137 Ca 0.24 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3ku0 h ILE 137 Cb 0.21 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3ku0 h ILE 137 CO -0.02 0.39 0.20 0.50 0.00 0.00 0.00 178.15 179.22 3ku0 h LYS 138 N 0.80 0.40 -0.18 2.37 3.64 -0.75 -2.03 116.57 120.82 3ku0 h LYS 138 Ca 0.15 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 3ku0 h LYS 138 Cb 0.53 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3ku0 h LYS 138 CO 0.03 0.27 -0.38 0.87 -2.27 0.00 0.00 179.45 177.96 3ku0 h LYS 139 N 0.42 0.39 -0.41 1.90 1.57 -0.79 -0.64 116.57 119.02 3ku0 h LYS 139 Ca 0.14 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3ku0 h LYS 139 Cb 0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3ku0 h LYS 139 CO -0.07 0.72 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.30 3ku0 h LEU 140 N 0.33 0.76 -0.27 2.94 3.38 -1.15 -1.58 115.31 119.72 3ku0 h LEU 140 Ca 0.03 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.60 3ku0 h LEU 140 Cb 0.83 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ku0 h LEU 140 CO 0.07 0.93 -0.43 -0.78 0.09 0.00 0.00 178.44 178.32 3ku0 h ASP 141 N 0.68 0.85 0.46 -0.43 1.82 -1.12 -2.97 116.42 115.71 3ku0 h ASP 141 Ca 0.11 -0.52 -0.03 0.00 -0.39 0.00 0.00 57.03 56.19 3ku0 h ASP 141 Cb 0.66 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 3ku0 h ASP 141 CO 0.05 1.20 -0.16 -0.33 -1.61 0.00 0.00 179.24 178.39 3ku0 h GLU 142 N 0.52 0.00 -0.65 0.28 5.08 -0.97 -2.51 114.58 116.33 3ku0 h GLU 142 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ku0 h GLU 142 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3ku0 h GLU 142 CO 0.10 0.16 0.00 0.09 -1.00 0.00 0.00 179.01 178.36 3ku0 n ASN 143 N -3.66 4.89 -3.65 1.42 3.02 -0.61 -4.56 115.26 112.12 3ku0 n ASN 143 Ca -0.01 -2.75 -0.41 0.00 -0.03 0.00 0.00 54.58 51.37 3ku0 n ASN 143 Cb 0.29 -0.65 -0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3ku0 n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ku0 n ALA 144 N 0.55 6.14 -2.60 5.41 0.00 -0.95 -4.63 120.51 124.43 3ku0 n ALA 144 Ca 0.23 -4.03 -0.14 0.00 0.00 0.00 0.00 53.44 49.51 3ku0 n ALA 144 Cb 1.02 -3.13 -0.07 0.00 0.00 0.00 0.00 19.45 17.28 3ku0 n ALA 144 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3ku0 s ILE 145 N 0.96 0.00 0.02 0.00 -4.36 -1.26 -4.98 121.20 111.58 3ku0 s ILE 145 Ca 0.50 -1.77 -0.21 0.00 -0.26 0.00 0.00 60.65 58.91 3ku0 s ILE 145 Cb 0.14 -2.48 -0.17 0.00 1.25 0.00 0.00 42.46 41.20 3ku0 s ILE 145 CO -0.05 0.00 1.27 0.44 0.24 0.00 0.00 174.94 176.84 3ku0 h ASP 146 N 2.31 0.37 -1.60 4.36 3.32 -1.98 -3.30 116.42 119.90 3ku0 h ASP 146 Ca -0.30 -0.55 -0.75 0.00 0.02 0.00 0.00 57.03 55.45 3ku0 h ASP 146 Cb 1.24 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.50 3ku0 h ASP 146 CO 0.42 0.86 1.72 -3.20 -1.72 0.00 0.00 179.24 177.32 3ku0 n ASN 147 N -4.51 7.68 -4.77 6.45 4.05 -1.26 -5.00 115.26 117.90 3ku0 n ASN 147 Ca -0.07 -3.38 -0.34 0.00 0.45 0.00 0.00 54.58 51.24 3ku0 n ASN 147 Cb 0.41 -1.27 0.03 0.00 1.23 0.00 0.00 39.78 40.19 3ku0 n ASN 147 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 3ku0 s TYR 148 N -2.52 2.64 -0.44 1.20 -0.85 -1.24 -5.00 117.35 111.13 3ku0 s TYR 148 Ca 0.49 1.55 -0.18 0.00 -0.52 0.00 0.00 57.07 58.40 3ku0 s TYR 148 Cb 0.21 -3.21 0.03 0.00 0.38 0.00 0.00 41.96 39.37 3ku0 s TYR 148 CO -0.13 -1.65 0.51 0.15 -1.52 0.00 0.00 175.55 172.91 3ku0 s LYS 149 N -3.82 3.13 0.51 -3.49 1.02 -1.26 -4.95 119.74 110.87 3ku0 s LYS 149 Ca 0.69 -0.72 0.18 0.00 0.02 0.00 0.00 55.97 56.14 3ku0 s LYS 149 Cb -0.22 -3.99 1.27 0.00 -0.52 0.00 0.00 37.83 34.38 3ku0 s LYS 149 CO 0.37 -0.95 2.12 -1.00 -0.92 0.00 0.00 175.35 174.96 3ku0 h PRO 150 N 8.80 0.00 -0.04 -1.68 0.13 -1.98 -2.26 132.00 134.97 3ku0 h PRO 150 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.75 3ku0 h PRO 150 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3ku0 h PRO 150 CO 0.85 0.06 -0.52 1.79 -0.23 0.00 0.00 178.00 179.94 3ku0 h THR 151 N 0.00 1.37 0.02 1.56 1.35 -1.93 0.18 112.91 115.46 3ku0 h THR 151 Ca -0.00 -1.79 -0.21 0.00 -0.55 0.00 0.00 66.41 63.86 3ku0 h THR 151 Cb 0.11 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3ku0 h THR 151 CO 0.01 0.52 -0.93 -0.33 -0.25 0.00 0.00 175.52 174.53 3ku0 h GLU 152 N 0.09 0.18 -0.03 4.72 5.08 -1.76 -1.95 114.58 120.92 3ku0 h GLU 152 Ca 0.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3ku0 h GLU 152 Cb 0.95 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3ku0 h GLU 152 CO 0.07 0.99 -0.05 0.82 -1.00 0.00 0.00 179.01 179.84 3ku0 h ILE 153 N 0.09 1.44 -0.45 3.13 2.04 -1.25 -1.78 117.51 120.74 3ku0 h ILE 153 Ca -0.05 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.49 3ku0 h ILE 153 Cb 1.59 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 39.93 3ku0 h ILE 153 CO 0.14 0.37 0.15 0.00 0.00 0.00 0.00 178.15 178.81 3ku0 h ALA 154 N 0.45 0.53 -0.16 1.87 0.00 -1.01 0.14 119.26 121.08 3ku0 h ALA 154 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ku0 h ALA 154 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ku0 h ALA 154 CO 0.01 -0.24 0.09 1.03 0.00 0.00 0.00 179.25 180.15 3ku0 h SER 155 N 0.32 0.20 -0.59 0.00 0.87 -1.39 -0.95 113.55 112.01 3ku0 h SER 155 Ca 0.21 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3ku0 h SER 155 Cb 0.21 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3ku0 h SER 155 CO -0.22 0.21 0.23 0.28 -0.53 0.00 0.00 176.83 176.80 3ku0 h SER 156 N 0.18 0.83 0.09 6.23 0.02 -0.85 -2.69 113.55 117.36 3ku0 h SER 156 Ca 0.06 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 3ku0 h SER 156 Cb 0.05 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3ku0 h SER 156 CO -0.01 0.78 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.12 3ku0 h LEU 157 N 0.83 0.28 -1.20 5.07 3.38 -0.61 -2.08 115.31 120.97 3ku0 h LEU 157 Ca 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ku0 h LEU 157 Cb 0.21 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3ku0 h LEU 157 CO -0.01 0.55 0.33 0.25 0.09 0.00 0.00 178.44 179.64 3ku0 h LEU 158 N 0.25 0.79 -0.10 1.67 5.85 -0.84 0.41 115.31 123.34 3ku0 h LEU 158 Ca 0.04 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3ku0 h LEU 158 Cb 0.61 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ku0 h LEU 158 CO 0.04 0.65 -0.03 0.58 -0.34 0.00 0.00 178.44 179.34 3ku0 h VAL 159 N 0.88 1.30 -0.08 1.05 2.07 -1.24 -2.72 116.25 117.52 3ku0 h VAL 159 Ca 0.22 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3ku0 h VAL 159 Cb 0.05 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3ku0 h VAL 159 CO -0.03 0.27 0.03 0.58 0.02 0.00 0.00 177.57 178.44 3ku0 h VAL 160 N -0.15 0.99 -0.78 2.57 2.07 -0.82 -0.98 116.25 119.14 3ku0 h VAL 160 Ca 0.02 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3ku0 h VAL 160 Cb 0.45 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3ku0 h VAL 160 CO 0.01 0.01 0.40 0.40 0.02 0.00 0.00 177.57 178.41 3ku0 h ILE 161 N 0.07 0.79 0.21 4.57 2.04 -0.22 0.13 117.51 125.10 3ku0 h ILE 161 Ca 0.03 -0.21 -0.32 0.00 1.00 0.00 0.00 64.86 65.36 3ku0 h ILE 161 Cb 0.01 0.12 0.03 0.00 -0.74 0.00 0.00 36.82 36.23 3ku0 h ILE 161 CO -0.03 0.11 -1.43 1.56 0.00 0.00 0.00 178.15 178.37 3ku0 h GLN 162 N 0.62 0.45 0.00 2.37 4.20 -1.29 -0.88 115.11 120.58 3ku0 h GLN 162 Ca 0.41 -0.77 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3ku0 h GLN 162 Cb 0.50 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.57 3ku0 h GLN 162 CO -0.31 1.37 0.00 0.52 -0.67 0.00 0.00 178.83 179.73 3ku0 h MET 163 N 0.12 0.00 0.00 1.46 2.86 -0.97 -2.07 114.93 116.33 3ku0 h MET 163 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3ku0 h MET 163 Cb 2.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.77 3ku0 h MET 163 CO 0.25 0.00 -0.17 0.28 1.06 0.00 0.00 176.91 178.33 3ku0 n VAL 164 N -2.58 0.47 0.25 -2.22 0.31 0.44 -4.55 118.33 110.46 3ku0 n VAL 164 Ca 0.05 0.25 -0.15 0.00 -0.01 0.00 0.00 64.34 64.48 3ku0 n VAL 164 Cb 0.44 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.80 3ku0 n VAL 164 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3ku0 h SER 165 N -0.17 -0.54 -0.59 4.52 0.02 -1.39 0.05 113.55 115.46 3ku0 h SER 165 Ca 0.00 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 3ku0 h SER 165 Cb 0.17 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3ku0 h SER 165 CO 0.00 -0.22 0.07 -0.33 -1.14 0.00 0.00 176.83 175.21 3ku0 h GLU 166 N -0.87 1.01 -0.69 3.45 4.39 -1.26 -1.31 114.58 119.31 3ku0 h GLU 166 Ca -0.07 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 3ku0 h GLU 166 Cb 0.58 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3ku0 h GLU 166 CO 0.11 0.95 0.27 0.00 -1.16 0.00 0.00 179.01 179.18 3ku0 h ALA 167 N 1.12 0.89 -0.65 3.43 0.00 -1.42 -0.48 119.26 122.16 3ku0 h ALA 167 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ku0 h ALA 167 Cb 0.45 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ku0 h ALA 167 CO 0.02 0.52 0.29 0.00 0.00 0.00 0.00 179.25 180.08 3ku0 h ALA 168 N 1.12 1.29 -0.09 0.00 0.00 -0.56 -3.12 119.26 117.90 3ku0 h ALA 168 Ca 0.23 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 3ku0 h ALA 168 Cb 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ku0 h ALA 168 CO -0.02 0.54 -0.78 0.00 0.00 0.00 0.00 179.25 178.99 3ku0 h ARG 169 N 0.93 0.70 -5.11 0.00 3.08 -0.86 -3.39 114.38 109.72 3ku0 h ARG 169 Ca 0.22 -0.62 -0.67 0.00 0.07 0.00 0.00 59.98 58.98 3ku0 h ARG 169 Cb 0.13 0.15 -0.35 0.00 0.08 0.00 0.00 29.97 29.98 3ku0 h ARG 169 CO -0.03 1.23 -0.86 -0.06 -1.07 0.00 0.00 179.97 179.18 3ku0 s PHE 170 N -3.59 2.69 0.43 3.04 0.08 -0.22 -0.49 117.98 119.92 3ku0 s PHE 170 Ca -0.11 -1.48 0.16 0.00 0.12 0.00 0.00 56.93 55.62 3ku0 s PHE 170 Cb 0.07 -1.85 1.01 0.00 -0.57 0.00 0.00 43.02 41.68 3ku0 s PHE 170 CO 0.89 -0.70 1.97 1.79 -0.10 0.00 0.00 175.22 179.07 3ku0 h THR 171 N 5.89 1.09 -0.33 0.64 1.35 -1.32 -1.58 112.91 118.64 3ku0 h THR 171 Ca -0.39 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 3ku0 h THR 171 Cb 1.17 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 3ku0 h THR 171 CO 0.59 0.20 0.17 0.15 -0.25 0.00 0.00 175.52 176.38 3ku0 h PHE 172 N 0.00 0.47 -0.21 4.73 3.57 -1.77 -1.14 116.94 122.60 3ku0 h PHE 172 Ca -0.00 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 3ku0 h PHE 172 Cb 0.38 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3ku0 h PHE 172 CO 0.00 0.41 -0.60 0.82 -2.23 0.00 0.00 178.31 176.71 3ku0 h ILE 173 N 0.40 1.31 -0.73 1.41 2.04 -1.74 -2.59 117.51 117.62 3ku0 h ILE 173 Ca 0.11 -1.83 0.05 0.00 1.00 0.00 0.00 64.86 64.20 3ku0 h ILE 173 Cb 0.11 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 3ku0 h ILE 173 CO -0.02 0.58 0.43 -0.08 0.00 0.00 0.00 178.15 179.07 3ku0 h GLU 174 N 0.51 0.78 0.00 2.37 4.81 -1.13 -2.50 114.58 119.41 3ku0 h GLU 174 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3ku0 h GLU 174 Cb 1.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3ku0 h GLU 174 CO 0.12 0.52 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.82 3ku0 h ASN 175 N 0.80 0.00 0.93 1.04 2.35 -1.10 -0.35 115.58 119.25 3ku0 h ASN 175 Ca 0.32 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 3ku0 h ASN 175 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3ku0 h ASN 175 CO -0.17 0.18 -0.30 1.56 -1.65 0.00 0.00 177.43 177.06 3ku0 h GLN 176 N 0.00 0.00 0.13 0.81 4.20 -1.04 -2.28 115.11 116.92 3ku0 h GLN 176 Ca -0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 3ku0 h GLN 176 Cb 0.94 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3ku0 h GLN 176 CO 0.02 0.30 -1.74 0.82 -0.67 0.00 0.00 178.83 177.56 3ku0 h ILE 177 N 0.00 0.82 -0.38 2.54 2.04 -1.33 -3.27 117.51 117.93 3ku0 h ILE 177 Ca -0.00 -2.38 0.07 0.00 1.00 0.00 0.00 64.86 63.54 3ku0 h ILE 177 Cb 0.84 2.60 -0.07 0.00 -0.74 0.00 0.00 36.82 39.45 3ku0 h ILE 177 CO 0.04 0.80 -0.04 -0.09 0.00 0.00 0.00 178.15 178.86 3ku0 h ARG 178 N -0.10 0.06 -0.54 2.37 2.43 -0.96 0.45 114.38 118.10 3ku0 h ARG 178 Ca -0.37 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3ku0 h ARG 178 Cb 1.93 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.46 3ku0 h ARG 178 CO 0.08 0.04 0.00 0.09 -1.51 0.00 0.00 179.97 178.67 3ku0 n ASN 179 N -5.23 2.23 -0.46 -3.80 3.02 -0.87 -3.21 115.26 106.94 3ku0 n ASN 179 Ca 0.02 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 3ku0 n ASN 179 Cb 0.20 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3ku0 n ASN 179 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ku0 n ASN 180 N 0.34 0.00 -0.18 6.41 3.02 -0.59 -4.97 115.26 119.28 3ku0 n ASN 180 Ca 0.11 -1.86 -0.02 0.00 -0.03 0.00 0.00 54.58 52.77 3ku0 n ASN 180 Cb 0.43 -0.17 0.05 0.00 -0.61 0.00 0.00 39.78 39.47 3ku0 n ASN 180 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3ku0 h PHE 181 N 0.00 -0.30 -0.24 3.10 3.57 -0.10 -1.37 116.94 121.59 3ku0 h PHE 181 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ku0 h PHE 181 Cb 1.35 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.31 3ku0 h PHE 181 CO 0.07 -0.24 0.00 1.04 -2.23 0.00 0.00 178.31 176.95 3ku0 n GLN 182 N -5.39 1.81 -4.69 1.11 1.13 -1.26 -1.99 117.38 108.10 3ku0 n GLN 182 Ca 0.06 -0.97 -0.33 0.00 -1.94 0.00 0.00 57.00 53.82 3ku0 n GLN 182 Cb 0.29 -1.37 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 3ku0 n GLN 182 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3ku0 n GLN 183 N 0.24 0.72 -4.00 -1.09 6.02 -0.52 -4.97 117.38 113.77 3ku0 n GLN 183 Ca 0.09 -3.81 -0.33 0.00 -0.01 0.00 0.00 57.00 52.93 3ku0 n GLN 183 Cb 0.32 0.96 -0.14 0.00 1.02 0.00 0.00 30.24 32.40 3ku0 n GLN 183 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ku0 s ARG 184 N -3.94 2.23 0.16 -1.09 0.52 -1.26 -4.35 118.95 111.21 3ku0 s ARG 184 Ca 0.03 -1.38 0.09 0.00 -0.52 0.00 0.00 55.73 53.95 3ku0 s ARG 184 Cb -0.00 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 3ku0 s ARG 184 CO 0.02 -0.63 -0.20 0.96 0.02 0.00 0.00 175.30 175.47 3ku0 s ILE 185 N 1.13 1.89 -0.05 1.52 -4.36 -0.70 -4.87 121.20 115.77 3ku0 s ILE 185 Ca -0.06 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 58.51 3ku0 s ILE 185 Cb -0.20 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 3ku0 s ILE 185 CO -0.04 -0.23 -0.16 -0.13 0.24 0.00 0.00 174.94 174.62 3ku0 s ARG 186 N -2.59 2.44 0.26 0.37 0.52 -1.26 0.25 118.95 118.94 3ku0 s ARG 186 Ca 0.15 -0.73 -0.31 0.00 -0.52 0.00 0.00 55.73 54.32 3ku0 s ARG 186 Cb -0.07 -2.33 -0.12 0.00 0.52 0.00 0.00 34.95 32.95 3ku0 s ARG 186 CO 0.07 0.61 1.55 -0.35 0.02 0.00 0.00 175.30 177.20 3ku0 n PRO 187 N 2.33 2.48 -2.23 3.54 -0.04 -1.26 -5.02 135.00 134.80 3ku0 n PRO 187 Ca -0.17 0.88 -0.23 0.00 -0.04 0.00 0.00 63.50 63.94 3ku0 n PRO 187 Cb 0.52 -2.63 0.14 0.00 -0.04 0.00 0.00 33.50 31.48 3ku0 n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ku0 n ALA 188 N 2.33 -0.30 0.16 0.55 0.00 -1.26 -4.75 120.51 117.23 3ku0 n ALA 188 Ca 0.11 -1.76 0.08 0.00 0.00 0.00 0.00 53.44 51.86 3ku0 n ALA 188 Cb 0.34 0.19 0.58 0.00 0.00 0.00 0.00 19.45 20.56 3ku0 n ALA 188 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3ku0 h ASN 189 N -0.88 0.14 -0.08 0.00 2.35 -1.76 -1.80 115.58 113.56 3ku0 h ASN 189 Ca -0.34 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 3ku0 h ASN 189 Cb 1.13 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 3ku0 h ASN 189 CO 0.32 0.10 -0.02 -0.55 -1.65 0.00 0.00 177.43 175.63 3ku0 h ASN 190 N 0.17 0.15 -0.06 5.81 7.08 -1.57 -1.36 115.58 125.80 3ku0 h ASN 190 Ca 0.07 -0.38 0.00 0.00 -3.08 0.00 0.00 56.30 52.91 3ku0 h ASN 190 Cb 0.07 -0.04 -0.00 0.00 -2.08 0.00 0.00 38.32 36.27 3ku0 h ASN 190 CO -0.01 0.50 0.04 0.74 -2.08 0.00 0.00 177.43 176.61 3ku0 h THR 191 N -0.20 1.03 -0.76 6.14 2.02 -1.78 -2.10 112.91 117.26 3ku0 h THR 191 Ca 0.02 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3ku0 h THR 191 Cb 0.43 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3ku0 h THR 191 CO 0.01 0.03 0.49 0.40 0.37 0.00 0.00 175.52 176.82 3ku0 h ILE 192 N 0.07 1.16 -0.33 3.11 2.04 -1.35 -1.81 117.51 120.40 3ku0 h ILE 192 Ca 0.02 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 3ku0 h ILE 192 Cb 0.01 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 3ku0 h ILE 192 CO -0.00 0.18 -0.20 0.77 0.00 0.00 0.00 178.15 178.90 3ku0 h SER 193 N 0.99 0.61 -0.16 1.72 4.64 -1.08 -2.03 113.55 118.24 3ku0 h SER 193 Ca 0.29 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3ku0 h SER 193 Cb -0.06 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3ku0 h SER 193 CO -0.08 0.82 0.09 -0.07 -0.87 0.00 0.00 176.83 176.71 3ku0 h LEU 194 N 0.55 0.21 -0.78 5.97 3.38 -0.97 -1.13 115.31 122.53 3ku0 h LEU 194 Ca 0.08 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3ku0 h LEU 194 Cb 0.65 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3ku0 h LEU 194 CO 0.05 0.24 0.47 -0.33 0.09 0.00 0.00 178.44 178.95 3ku0 h GLU 195 N 0.16 0.84 -0.35 1.13 5.08 -1.12 -2.51 114.58 117.81 3ku0 h GLU 195 Ca 0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3ku0 h GLU 195 Cb 0.08 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3ku0 h GLU 195 CO -0.01 0.56 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.45 3ku0 h ASN 196 N 0.87 0.67 -0.60 1.42 2.35 -1.06 -3.28 115.58 115.94 3ku0 h ASN 196 Ca 0.34 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ku0 h ASN 196 Cb 0.16 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3ku0 h ASN 196 CO -0.17 0.86 0.00 0.29 -1.65 0.00 0.00 177.43 176.76 3ku0 n LYS 197 N -4.13 3.27 -0.15 0.81 4.76 -0.45 -4.56 118.16 117.70 3ku0 n LYS 197 Ca 0.00 -2.53 -0.04 0.00 -2.87 0.00 0.00 58.31 52.87 3ku0 n LYS 197 Cb 0.40 -1.77 0.05 0.00 -1.84 0.00 0.00 35.03 31.86 3ku0 n LYS 197 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 3ku0 h TRP 198 N 3.72 0.40 -0.33 2.13 7.01 -1.54 0.85 115.95 128.19 3ku0 h TRP 198 Ca 0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 3ku0 h TRP 198 Cb 1.24 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.18 3ku0 h TRP 198 CO 0.65 0.19 0.13 0.78 -2.79 0.00 0.00 178.44 177.39 3ku0 h GLY 199 N 0.44 0.52 0.95 2.65 0.00 -1.87 -0.18 103.07 105.57 3ku0 h GLY 199 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3ku0 h GLY 199 CO -0.17 0.27 0.14 0.50 0.00 0.00 0.00 176.54 177.27 3ku0 h LYS 200 N 0.38 0.68 -0.54 4.80 1.57 -1.79 -1.62 116.57 120.04 3ku0 h LYS 200 Ca 0.11 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3ku0 h LYS 200 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3ku0 h LYS 200 CO -0.01 0.66 0.24 -0.07 -0.57 0.00 0.00 179.45 179.70 3ku0 h LEU 201 N 0.56 0.73 -1.08 2.94 3.38 -0.74 -1.58 115.31 119.52 3ku0 h LEU 201 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ku0 h LEU 201 Cb 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3ku0 h LEU 201 CO -0.00 0.68 0.49 0.28 0.09 0.00 0.00 178.44 179.98 3ku0 h SER 202 N 0.73 1.00 -0.08 -0.43 0.02 -0.87 0.05 113.55 113.97 3ku0 h SER 202 Ca 0.18 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3ku0 h SER 202 Cb 0.16 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3ku0 h SER 202 CO -0.02 0.77 -0.07 0.15 -1.14 0.00 0.00 176.83 176.52 3ku0 h PHE 203 N 1.14 0.23 -0.44 3.45 3.04 -0.96 -1.41 116.94 121.99 3ku0 h PHE 203 Ca 0.30 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 3ku0 h PHE 203 Cb -0.04 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 3ku0 h PHE 203 CO 0.00 0.60 -0.02 1.96 -2.02 0.00 0.00 178.31 178.84 3ku0 h GLN 204 N -0.22 0.72 0.10 1.11 1.08 -1.13 -1.98 115.11 114.79 3ku0 h GLN 204 Ca 0.01 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3ku0 h GLN 204 Cb 0.56 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3ku0 h GLN 204 CO 0.02 0.75 -0.05 0.82 -0.95 0.00 0.00 178.83 179.42 3ku0 h ILE 205 N 0.68 1.13 -0.87 2.54 2.04 -0.99 -2.61 117.51 119.42 3ku0 h ILE 205 Ca 0.13 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.95 3ku0 h ILE 205 Cb 0.44 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 3ku0 h ILE 205 CO 0.02 0.25 0.56 -0.09 0.00 0.00 0.00 178.15 178.89 3ku0 h ARG 206 N -0.65 1.06 0.00 2.37 2.43 -1.21 -2.77 114.38 115.61 3ku0 h ARG 206 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3ku0 h ARG 206 Cb 0.51 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3ku0 h ARG 206 CO 0.02 0.70 -0.16 0.25 -1.51 0.00 0.00 179.97 179.27 3ku0 n THR 207 N -4.54 0.19 -1.92 0.20 -2.24 -0.75 -4.90 114.28 100.32 3ku0 n THR 207 Ca 0.11 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3ku0 n THR 207 Cb 0.08 -0.34 0.03 0.00 -2.10 0.00 0.00 70.33 68.00 3ku0 n THR 207 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ku0 s SER 208 N -3.53 5.39 0.81 3.42 1.04 -0.99 -5.03 113.70 114.82 3ku0 s SER 208 Ca 0.12 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.53 3ku0 s SER 208 Cb 0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3ku0 s SER 208 CO 0.60 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3ku0 n GLY 209 N -0.51 -1.29 0.32 7.32 0.00 -1.26 -4.81 105.19 104.96 3ku0 n GLY 209 Ca 0.10 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.58 3ku0 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku0 h ALA 210 N -2.00 1.88 0.00 4.61 0.00 -1.97 -0.67 119.26 121.10 3ku0 h ALA 210 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ku0 h ALA 210 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ku0 h ALA 210 CO 0.00 0.06 0.00 0.27 0.00 0.00 0.00 179.25 179.58 3ku0 n ASN 211 N -4.48 0.00 -0.54 0.00 0.23 -1.26 -4.86 115.26 104.35 3ku0 n ASN 211 Ca 0.05 -0.18 -0.07 0.00 -0.53 0.00 0.00 54.58 53.85 3ku0 n ASN 211 Cb 0.19 -0.17 -0.03 0.00 -2.08 0.00 0.00 39.78 37.69 3ku0 n ASN 211 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ku0 n GLY 212 N 0.08 0.74 3.71 4.83 0.00 -0.26 -4.82 105.19 109.47 3ku0 n GLY 212 Ca 0.10 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3ku0 n GLY 212 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ku0 s MET 213 N -2.41 4.47 0.24 1.61 -1.94 -1.26 -0.84 119.30 119.17 3ku0 s MET 213 Ca 0.00 1.61 -0.30 0.00 -1.71 0.00 0.00 55.69 55.29 3ku0 s MET 213 Cb 0.00 -3.42 -0.09 0.00 2.01 0.00 0.00 34.83 33.33 3ku0 s MET 213 CO 0.00 -0.20 1.12 -0.06 -0.01 0.00 0.00 175.02 175.87 3ku0 s PHE 214 N 1.21 3.55 0.37 -0.03 0.40 0.13 -4.45 117.98 119.16 3ku0 s PHE 214 Ca 0.55 1.62 0.13 0.00 -0.60 0.00 0.00 56.93 58.63 3ku0 s PHE 214 Cb -0.25 -3.31 0.72 0.00 0.51 0.00 0.00 43.02 40.69 3ku0 s PHE 214 CO 0.27 -0.69 1.82 0.66 0.70 0.00 0.00 175.22 177.98 3ku0 h SER 215 N 4.40 0.00 -3.59 1.36 4.64 -1.89 -3.42 113.55 115.05 3ku0 h SER 215 Ca -0.46 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.63 3ku0 h SER 215 Cb 1.21 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.00 3ku0 h SER 215 CO 0.70 0.37 -0.61 -1.61 -0.87 0.00 0.00 176.83 174.81 3ku0 s GLU 216 N -4.17 0.09 0.55 4.77 2.02 -1.26 -5.15 118.70 115.54 3ku0 s GLU 216 Ca -0.03 0.25 -0.20 0.00 0.02 0.00 0.00 54.97 55.01 3ku0 s GLU 216 Cb 0.14 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.24 3ku0 s GLU 216 CO 0.72 -0.10 1.20 0.00 0.02 0.00 0.00 175.26 177.10 3ku0 s ALA 217 N 0.68 2.70 -0.13 5.21 0.00 -1.26 -4.95 121.76 124.01 3ku0 s ALA 217 Ca -0.05 1.00 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 3ku0 s ALA 217 Cb -0.07 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3ku0 s ALA 217 CO -0.03 -1.00 -0.12 0.08 0.00 0.00 0.00 175.76 174.69 3ku0 s VAL 218 N -1.58 3.09 -0.13 0.00 1.01 -0.29 -4.91 120.40 117.59 3ku0 s VAL 218 Ca 0.73 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 3ku0 s VAL 218 Cb -0.30 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3ku0 s VAL 218 CO 0.34 0.52 0.55 -0.70 0.00 0.00 0.00 175.10 175.81 3ku0 s GLU 219 N 0.39 4.32 0.48 2.72 2.12 -1.26 0.17 118.70 127.64 3ku0 s GLU 219 Ca -0.10 0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.80 3ku0 s GLU 219 Cb -0.16 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 3ku0 s GLU 219 CO 0.05 0.03 0.04 -0.51 -0.54 0.00 0.00 175.26 174.33 3ku0 s LEU 220 N 1.02 2.19 0.02 2.70 1.43 0.29 -4.96 118.68 121.37 3ku0 s LEU 220 Ca 0.28 -1.67 0.01 0.00 -1.03 0.00 0.00 54.13 51.72 3ku0 s LEU 220 Cb -0.16 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 3ku0 s LEU 220 CO 0.12 -0.89 -0.04 -1.61 0.23 0.00 0.00 176.35 174.15 3ku0 s GLU 221 N -3.82 0.34 0.88 1.70 2.02 -1.26 -1.21 118.70 117.34 3ku0 s GLU 221 Ca 0.10 -0.44 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 3ku0 s GLU 221 Cb 0.02 -0.14 0.13 0.00 0.10 0.00 0.00 34.13 34.24 3ku0 s GLU 221 CO 0.06 0.02 1.23 1.03 0.02 0.00 0.00 175.26 177.63 3ku0 s ARG 222 N -0.92 1.37 0.22 1.61 1.81 0.16 -3.39 118.95 119.80 3ku0 s ARG 222 Ca -0.07 -0.08 -0.09 0.00 -1.72 0.00 0.00 55.73 53.76 3ku0 s ARG 222 Cb -0.06 -1.90 0.32 0.00 -0.45 0.00 0.00 34.95 32.86 3ku0 s ARG 222 CO -0.00 -1.97 1.69 0.00 -0.68 0.00 0.00 175.30 174.33 3ku0 h ALA 223 N -1.33 0.71 0.00 2.13 0.00 -1.89 0.38 119.26 119.26 3ku0 h ALA 223 Ca -0.46 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ku0 h ALA 223 Cb 1.29 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3ku0 h ALA 223 CO 0.55 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.72 3ku0 n ASN 224 N -5.18 0.00 0.00 0.00 6.94 -1.26 -3.20 115.26 112.56 3ku0 n ASN 224 Ca 0.10 -0.55 0.00 0.00 -0.02 0.00 0.00 54.58 54.11 3ku0 n ASN 224 Cb 0.35 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 3ku0 n ASN 224 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ku0 n GLY 225 N 0.12 0.69 3.70 4.83 0.00 0.12 -5.03 105.19 109.61 3ku0 n GLY 225 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3ku0 n GLY 225 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ku0 s LYS 226 N -0.76 4.22 0.29 1.61 2.20 -1.26 -4.64 119.74 121.40 3ku0 s LYS 226 Ca 0.00 2.31 -0.23 0.00 -0.36 0.00 0.00 55.97 57.69 3ku0 s LYS 226 Cb 0.00 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 3ku0 s LYS 226 CO 0.00 -0.65 0.86 0.15 -0.36 0.00 0.00 175.35 175.35 3ku0 s LYS 227 N 1.85 4.43 0.10 4.03 1.02 -1.26 -0.66 119.74 129.25 3ku0 s LYS 227 Ca 0.71 1.13 -0.10 0.00 0.02 0.00 0.00 55.97 57.73 3ku0 s LYS 227 Cb -0.41 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 3ku0 s LYS 227 CO 0.31 0.30 0.24 1.52 -0.92 0.00 0.00 175.35 176.80 3ku0 s TYR 228 N -1.62 0.10 -0.01 3.18 1.13 -0.35 -4.96 117.35 114.83 3ku0 s TYR 228 Ca 0.48 -0.51 0.04 0.00 -1.41 0.00 0.00 57.07 55.68 3ku0 s TYR 228 Cb -0.17 0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.66 3ku0 s TYR 228 CO 0.22 -0.59 -0.13 0.71 -2.51 0.00 0.00 175.55 173.25 3ku0 s TYR 229 N -3.86 2.72 -0.25 -3.49 1.51 -1.26 -0.55 117.35 112.17 3ku0 s TYR 229 Ca 0.05 -0.15 -0.09 0.00 -1.01 0.00 0.00 57.07 55.87 3ku0 s TYR 229 Cb 0.04 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 3ku0 s TYR 229 CO -0.10 0.26 0.13 0.08 -1.11 0.00 0.00 175.55 174.81 3ku0 s VAL 230 N -0.87 4.89 -0.08 0.71 1.01 0.13 -4.93 120.40 121.26 3ku0 s VAL 230 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3ku0 s VAL 230 Cb -0.11 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3ku0 s VAL 230 CO 0.04 0.31 0.14 0.35 0.00 0.00 0.00 175.10 175.94 3ku0 n THR 231 N 4.78 0.00 -4.01 3.92 -2.24 -1.26 -1.13 114.28 114.34 3ku0 n THR 231 Ca -0.15 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 3ku0 n THR 231 Cb 0.52 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 3ku0 n THR 231 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ku0 s ALA 232 N -0.95 0.25 0.22 6.98 0.00 -1.26 -0.69 121.76 126.30 3ku0 s ALA 232 Ca 0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 3ku0 s ALA 232 Cb 0.01 0.14 0.29 0.00 0.00 0.00 0.00 23.12 23.56 3ku0 s ALA 232 CO 0.05 -0.16 1.78 0.28 0.00 0.00 0.00 175.76 177.71 3ku0 h VAL 233 N 4.46 0.88 0.00 0.00 2.07 -1.30 -2.52 116.25 119.84 3ku0 h VAL 233 Ca -0.33 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ku0 h VAL 233 Cb 1.20 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3ku0 h VAL 233 CO 0.44 0.11 -0.01 0.44 0.02 0.00 0.00 177.57 178.56 3ku0 h ASP 234 N 0.60 0.00 0.71 0.57 5.19 -1.93 0.15 116.42 121.71 3ku0 h ASP 234 Ca 0.32 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.67 3ku0 h ASP 234 Cb 0.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3ku0 h ASP 234 CO -0.24 0.01 -0.28 1.56 -3.12 0.00 0.00 179.24 177.18 3ku0 h GLN 235 N 0.00 0.00 0.00 3.56 4.20 -1.86 -3.31 115.11 117.70 3ku0 h GLN 235 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ku0 h GLN 235 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3ku0 h GLN 235 CO 0.00 0.28 -0.51 1.55 -0.67 0.00 0.00 178.83 179.48 3ku0 n VAL 236 N -3.57 0.00 -0.31 -0.54 3.14 -0.73 -4.79 118.33 111.53 3ku0 n VAL 236 Ca -0.01 -0.28 0.13 0.00 -2.96 0.00 0.00 64.34 61.22 3ku0 n VAL 236 Cb 0.42 0.77 0.30 0.00 -1.06 0.00 0.00 33.84 34.27 3ku0 n VAL 236 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 3ku0 h LYS 237 N 0.00 0.42 0.00 1.45 3.64 -0.83 -1.01 116.57 120.23 3ku0 h LYS 237 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ku0 h LYS 237 Cb 0.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3ku0 h LYS 237 CO 0.00 0.28 0.00 -0.35 -2.27 0.00 0.00 179.45 177.11 3ku0 n PRO 238 N -5.02 0.04 0.00 1.90 -0.04 -1.26 -2.64 135.00 127.98 3ku0 n PRO 238 Ca 0.22 0.26 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 3ku0 n PRO 238 Cb 0.64 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 3ku0 n PRO 238 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ku0 n LYS 239 N -1.45 0.63 -4.43 0.54 5.02 -0.38 -4.62 118.16 113.47 3ku0 n LYS 239 Ca 0.04 -0.38 -0.34 0.00 -2.02 0.00 0.00 58.31 55.61 3ku0 n LYS 239 Cb 0.14 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 3ku0 n LYS 239 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ku0 s ILE 240 N -2.73 3.78 -0.21 -0.18 1.01 -1.08 -1.12 121.20 120.67 3ku0 s ILE 240 Ca 0.12 -0.40 0.15 0.00 0.00 0.00 0.00 60.65 60.51 3ku0 s ILE 240 Cb 0.16 -2.65 -0.23 0.00 0.01 0.00 0.00 42.46 39.75 3ku0 s ILE 240 CO 0.73 0.49 0.01 0.00 0.00 0.00 0.00 174.94 176.18 3ku0 n ALA 241 N 3.57 1.50 -2.90 9.38 0.00 0.36 -4.71 120.51 127.71 3ku0 n ALA 241 Ca -0.17 -1.26 -0.12 0.00 0.00 0.00 0.00 53.44 51.89 3ku0 n ALA 241 Cb 0.52 -0.15 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 3ku0 n ALA 241 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ku0 s LEU 242 N -5.65 2.00 -0.08 0.00 1.43 -0.97 -4.32 118.68 111.09 3ku0 s LEU 242 Ca -0.14 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3ku0 s LEU 242 Cb 0.06 0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.30 3ku0 s LEU 242 CO 0.77 -0.05 -0.05 -0.76 0.23 0.00 0.00 176.35 176.48 3ku0 s LEU 243 N -0.23 3.24 0.37 1.79 1.43 -0.27 -4.89 118.68 120.13 3ku0 s LEU 243 Ca -0.03 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 3ku0 s LEU 243 Cb -0.02 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.39 3ku0 s LEU 243 CO -0.00 0.34 0.83 -0.75 0.23 0.00 0.00 176.35 177.00 3ku0 s LYS 244 N -0.69 4.09 -0.57 1.70 2.20 -1.26 -1.16 119.74 124.04 3ku0 s LYS 244 Ca 0.11 0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 56.39 3ku0 s LYS 244 Cb -0.11 -2.32 0.11 0.00 -1.51 0.00 0.00 37.83 34.00 3ku0 s LYS 244 CO 0.02 0.07 0.63 0.12 -0.36 0.00 0.00 175.35 175.82 3ku0 s PHE 245 N -2.09 3.08 -0.18 4.03 2.19 -1.26 -4.66 117.98 119.09 3ku0 s PHE 245 Ca 0.57 -1.07 -0.06 0.00 0.33 0.00 0.00 56.93 56.71 3ku0 s PHE 245 Cb -0.10 -3.93 -0.03 0.00 -1.31 0.00 0.00 43.02 37.65 3ku0 s PHE 245 CO 0.16 -1.20 0.03 0.08 1.83 0.00 0.00 175.22 176.12 3ku0 s VAL 246 N 2.31 4.40 -0.09 3.12 1.01 -1.26 -4.88 120.40 125.01 3ku0 s VAL 246 Ca 0.09 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 3ku0 s VAL 246 Cb -0.26 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 3ku0 s VAL 246 CO 0.05 0.46 0.32 0.44 0.00 0.00 0.00 175.10 176.37 3ku0 h ASP 247 N 6.86 -0.09 -2.53 3.32 3.32 -1.99 -3.46 116.42 121.85 3ku0 h ASP 247 Ca -0.35 -0.19 -0.56 0.00 0.02 0.00 0.00 57.03 55.95 3ku0 h ASP 247 Cb 1.18 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 3ku0 h ASP 247 CO 0.66 0.48 -0.60 -0.54 -1.72 0.00 0.00 179.24 177.53 3ku0 s LYS 248 N -2.14 2.66 -0.20 3.56 1.02 -1.26 -5.04 119.74 118.34 3ku0 s LYS 248 Ca -0.06 -1.08 -0.36 0.00 0.02 0.00 0.00 55.97 54.49 3ku0 s LYS 248 Cb -0.00 -2.46 -0.13 0.00 -0.52 0.00 0.00 37.83 34.72 3ku0 s LYS 248 CO 0.20 0.43 1.91 -3.47 -0.92 0.00 0.00 175.35 173.50 3ku0 n ASP 249 N -0.60 2.88 -4.80 2.83 -0.08 -1.26 -4.92 116.55 110.60 3ku0 n ASP 249 Ca -0.08 0.88 -0.34 0.00 -1.51 0.00 0.00 54.79 53.74 3ku0 n ASP 249 Cb 0.56 -1.28 -0.05 0.00 2.34 0.00 0.00 41.12 42.69 3ku0 n ASP 249 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3ku0 s PRO 250 N 4.38 4.12 0.00 -0.67 0.04 -1.26 -5.16 135.00 136.45 3ku0 s PRO 250 Ca 0.98 1.26 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3ku0 s PRO 250 Cb -0.83 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 31.46 3ku0 s PRO 250 CO 0.55 -0.14 0.00 1.17 0.04 0.00 0.00 177.00 178.62