#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp0 n GLN 6 N 0.00 0.00 -0.18 1.96 0.00 -1.26 -5.07 117.38 112.83 3kp0 n GLN 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3kp0 n GLN 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3kp0 n GLN 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kp0 n LEU 7 N -1.23 -0.24 -4.47 1.69 4.77 -1.26 -5.00 117.00 111.26 3kp0 n LEU 7 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3kp0 n LEU 7 Cb 0.00 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 3kp0 n LEU 7 CO 0.00 0.00 -0.39 -0.13 -1.33 0.00 0.00 177.39 175.54 3kp0 s ARG 8 N -0.12 3.40 0.16 3.23 0.52 -1.26 -5.00 118.95 119.88 3kp0 s ARG 8 Ca 0.00 -0.59 0.11 0.00 -0.52 0.00 0.00 55.73 54.73 3kp0 s ARG 8 Cb 0.00 -2.75 0.58 0.00 0.52 0.00 0.00 34.95 33.30 3kp0 s ARG 8 CO 0.00 0.31 1.33 1.33 0.02 0.00 0.00 175.30 178.29 3kp0 n VAL 9 N 3.29 1.52 0.21 3.52 0.24 -1.26 -1.36 118.33 124.49 3kp0 n VAL 9 Ca -0.18 0.62 0.06 0.00 -2.04 0.00 0.00 64.34 62.80 3kp0 n VAL 9 Cb 0.53 -1.62 0.09 0.00 -1.47 0.00 0.00 33.84 31.37 3kp0 n VAL 9 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3kp0 n ASN 10 N -1.88 2.35 -4.41 -1.34 6.94 -1.26 -4.95 115.26 110.71 3kp0 n ASN 10 Ca -0.01 -1.68 -0.33 0.00 -0.02 0.00 0.00 54.58 52.54 3kp0 n ASN 10 Cb 0.02 -0.09 -0.14 0.00 -2.36 0.00 0.00 39.78 37.21 3kp0 n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kp0 s GLU 11 N -0.97 3.09 0.95 -3.83 2.02 -0.46 -5.11 118.70 114.39 3kp0 s GLU 11 Ca 0.17 -0.68 -0.10 0.00 0.02 0.00 0.00 54.97 54.38 3kp0 s GLU 11 Cb 0.11 -2.55 0.17 0.00 0.10 0.00 0.00 34.13 31.95 3kp0 s GLU 11 CO 0.15 0.36 1.13 0.15 0.02 0.00 0.00 175.26 177.07 3kp0 s LYS 12 N -0.02 0.75 -0.02 1.61 1.02 -1.26 -4.63 119.74 117.18 3kp0 s LYS 12 Ca -0.03 1.46 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 3kp0 s LYS 12 Cb -0.14 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 3kp0 s LYS 12 CO 0.04 -2.79 1.49 -0.51 -0.92 0.00 0.00 175.35 172.66 3kp0 s LEU 13 N -6.70 4.31 -1.22 3.17 1.43 -1.26 -4.92 118.68 113.49 3kp0 s LEU 13 Ca 0.67 2.15 -0.20 0.00 -1.03 0.00 0.00 54.13 55.72 3kp0 s LEU 13 Cb -0.23 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.45 3kp0 s LEU 13 CO 0.59 -0.81 1.79 -0.62 0.23 0.00 0.00 176.35 177.53 3kp0 s ASP 14 N 2.39 6.13 0.55 2.29 -1.08 -1.26 -4.76 116.67 120.93 3kp0 s ASP 14 Ca 0.67 -2.03 0.35 0.00 -0.52 0.00 0.00 52.55 51.02 3kp0 s ASP 14 Cb -0.32 -2.58 1.55 0.00 -1.46 0.00 0.00 42.92 40.11 3kp0 s ASP 14 CO 0.27 -1.91 2.04 1.62 0.52 0.00 0.00 175.17 177.71 3kp0 h VAL 15 N 5.95 0.00 -0.59 1.11 3.04 -1.95 -1.17 116.25 122.63 3kp0 h VAL 15 Ca 0.34 -0.38 -0.07 0.00 -1.01 0.00 0.00 66.70 65.57 3kp0 h VAL 15 Cb 0.91 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 31.51 3kp0 h VAL 15 CO 1.37 0.00 0.08 -0.08 -1.01 0.00 0.00 177.57 177.92 3kp0 h GLU 16 N 0.00 0.99 0.01 4.17 4.81 -1.99 -2.98 114.58 119.59 3kp0 h GLU 16 Ca 0.00 -0.28 -0.22 0.00 -0.13 0.00 0.00 59.36 58.73 3kp0 h GLU 16 Cb 0.39 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3kp0 h GLU 16 CO 0.00 0.95 -0.95 -0.97 -0.73 0.00 0.00 179.01 177.30 3kp0 h ASN 17 N 0.89 0.46 -0.46 1.04 -1.24 -1.64 -3.27 115.58 111.37 3kp0 h ASN 17 Ca 0.18 -0.38 -0.05 0.00 0.71 0.00 0.00 56.30 56.76 3kp0 h ASN 17 Cb 0.45 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3kp0 h ASN 17 CO 0.02 1.19 0.13 0.40 -1.29 0.00 0.00 177.43 177.88 3kp0 h ILE 18 N 0.19 1.22 0.00 2.57 2.04 -1.42 -2.37 117.51 119.73 3kp0 h ILE 18 Ca -0.08 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3kp0 h ILE 18 Cb 1.60 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3kp0 h ILE 18 CO 0.16 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.78 3kp0 n LEU 19 N -4.29 0.62 -4.81 1.44 4.77 -1.13 -4.73 117.00 108.88 3kp0 n LEU 19 Ca 0.04 0.66 -0.37 0.00 -0.03 0.00 0.00 56.01 56.30 3kp0 n LEU 19 Cb 0.22 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 3kp0 n LEU 19 CO 0.40 -0.55 0.37 -0.54 -1.33 0.00 0.00 177.39 175.74 3kp0 s LYS 20 N -3.30 4.28 -0.99 3.23 1.02 -0.89 -4.15 119.74 118.93 3kp0 s LYS 20 Ca 0.04 0.86 -0.01 0.00 0.02 0.00 0.00 55.97 56.88 3kp0 s LYS 20 Cb 0.09 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 3kp0 s LYS 20 CO 0.38 0.51 0.10 -0.25 -0.92 0.00 0.00 175.35 175.17 3kp0 n ASP 21 N 1.21 -3.94 0.10 2.83 9.92 -1.26 -4.87 116.55 120.53 3kp0 n ASP 21 Ca -0.06 -0.05 0.11 0.00 -0.53 0.00 0.00 54.79 54.26 3kp0 n ASP 21 Cb 0.50 -3.06 0.45 0.00 -0.64 0.00 0.00 41.12 38.38 3kp0 n ASP 21 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3kp0 n LEU 22 N -1.93 0.53 0.01 0.64 4.77 -1.26 -1.72 117.00 118.05 3kp0 n LEU 22 Ca -0.12 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.57 3kp0 n LEU 22 Cb 0.60 -0.54 0.40 0.00 -2.33 0.00 0.00 43.42 41.55 3kp0 n LEU 22 CO 0.20 -0.46 0.80 -0.90 -1.33 0.00 0.00 177.39 175.70 3kp0 n ASP 23 N -2.08 0.08 -0.05 -1.43 5.75 -1.26 -3.34 116.55 114.22 3kp0 n ASP 23 Ca 0.03 0.52 0.03 0.00 -0.01 0.00 0.00 54.79 55.35 3kp0 n ASP 23 Cb 0.24 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 39.83 3kp0 n ASP 23 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kp0 n LYS 24 N -1.58 2.00 -2.88 0.11 5.02 -0.70 -5.05 118.16 115.08 3kp0 n LYS 24 Ca 0.04 -1.66 -0.36 0.00 -2.02 0.00 0.00 58.31 54.31 3kp0 n LYS 24 Cb 0.22 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 3kp0 n LYS 24 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3kp0 s TYR 25 N -1.35 3.63 -0.02 2.13 5.04 -1.21 -5.08 117.35 120.49 3kp0 s TYR 25 Ca 0.09 1.65 0.01 0.00 -2.44 0.00 0.00 57.07 56.38 3kp0 s TYR 25 Cb 0.08 -2.83 0.01 0.00 0.35 0.00 0.00 41.96 39.57 3kp0 s TYR 25 CO 0.01 0.21 -0.03 0.99 -1.34 0.00 0.00 175.55 175.38 3kp0 s THR 26 N -1.66 0.34 0.37 4.34 2.01 -1.26 -5.09 115.64 114.68 3kp0 s THR 26 Ca 0.50 -0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.16 3kp0 s THR 26 Cb -0.17 -0.35 -0.12 0.00 0.01 0.00 0.00 72.50 71.87 3kp0 s THR 26 CO 0.22 0.14 1.01 -2.65 -0.69 0.00 0.00 174.62 172.65 3kp0 n PRO 27 N 3.59 1.38 0.07 4.92 -0.02 -1.26 -4.90 135.00 138.78 3kp0 n PRO 27 Ca -0.20 0.49 -0.02 0.00 -2.02 0.00 0.00 63.50 61.74 3kp0 n PRO 27 Cb 0.54 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.98 3kp0 n PRO 27 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kp0 h LYS 28 N 1.74 0.00 0.00 -0.52 3.11 -1.95 -3.47 116.57 115.48 3kp0 h LYS 28 Ca -0.43 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.16 3kp0 h LYS 28 Cb 1.34 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.51 3kp0 h LYS 28 CO 0.58 0.58 -0.14 2.89 -2.81 0.00 0.00 179.45 180.55 3kp0 n ARG 29 N -3.15 0.59 -4.15 1.90 1.85 -1.26 -5.19 116.66 107.25 3kp0 n ARG 29 Ca -0.04 -2.44 -0.16 0.00 -1.00 0.00 0.00 57.85 54.21 3kp0 n ARG 29 Cb 0.86 2.32 -0.12 0.00 -1.05 0.00 0.00 32.46 34.47 3kp0 n ARG 29 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3kp0 s ARG 30 N -2.72 0.66 0.75 2.89 1.81 -1.26 -4.78 118.95 116.30 3kp0 s ARG 30 Ca 0.26 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 3kp0 s ARG 30 Cb -0.01 -0.55 0.00 0.00 -0.45 0.00 0.00 34.95 33.94 3kp0 s ARG 30 CO 0.18 0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.33 3kp0 n GLY 31 N 1.63 -2.14 3.81 -3.53 0.00 -1.23 -4.93 105.19 98.79 3kp0 n GLY 31 Ca -0.21 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 3kp0 n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kp0 s TRP 32 N -0.19 3.63 -0.03 1.61 -0.11 -1.14 -4.68 118.94 118.02 3kp0 s TRP 32 Ca 0.00 1.52 0.07 0.00 1.22 0.00 0.00 56.10 58.91 3kp0 s TRP 32 Cb 0.00 -2.73 -0.02 0.00 -1.50 0.00 0.00 33.47 29.23 3kp0 s TRP 32 CO 0.00 0.26 -0.24 0.95 -4.62 0.00 0.00 176.95 173.29 3kp0 s THR 33 N -1.61 1.95 0.55 5.86 -4.23 -1.26 -5.06 115.64 111.84 3kp0 s THR 33 Ca 0.47 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.02 3kp0 s THR 33 Cb -0.17 -1.63 0.07 0.00 1.34 0.00 0.00 72.50 72.11 3kp0 s THR 33 CO 0.21 0.55 0.76 0.26 -0.54 0.00 0.00 174.62 175.86 3kp0 s TRP 34 N -0.41 1.79 0.26 3.99 0.52 -1.26 -4.94 118.94 118.90 3kp0 s TRP 34 Ca 0.05 -0.58 -0.23 0.00 0.02 0.00 0.00 56.10 55.35 3kp0 s TRP 34 Cb -0.11 -2.34 -0.09 0.00 -1.15 0.00 0.00 33.47 29.78 3kp0 s TRP 34 CO 0.01 -1.03 0.82 1.03 0.02 0.00 0.00 176.95 177.79 3kp0 s ARG 35 N -4.64 4.43 -0.27 4.98 0.52 -1.26 -5.03 118.95 117.68 3kp0 s ARG 35 Ca 0.61 1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 56.62 3kp0 s ARG 35 Cb -0.07 -2.90 -0.00 0.00 0.52 0.00 0.00 34.95 32.51 3kp0 s ARG 35 CO 0.38 0.37 1.27 -0.65 0.02 0.00 0.00 175.30 176.69 3kp0 s GLN 36 N -1.90 4.01 0.29 3.54 -1.52 -1.26 -4.97 119.66 117.85 3kp0 s GLN 36 Ca 0.45 1.34 -0.30 0.00 -1.95 0.00 0.00 55.36 54.90 3kp0 s GLN 36 Cb -0.18 -3.83 -0.12 0.00 -0.22 0.00 0.00 33.01 28.65 3kp0 s GLN 36 CO 0.23 -0.99 1.56 -2.30 -0.25 0.00 0.00 175.29 173.54 3kp0 n PRO 37 N 7.08 2.59 -3.94 2.91 -0.02 -1.26 -0.69 135.00 141.66 3kp0 n PRO 37 Ca 0.14 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.22 3kp0 n PRO 37 Cb 0.46 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.12 3kp0 n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kp0 s ALA 38 N -0.03 3.12 0.88 3.55 0.00 -0.90 -4.70 121.76 123.69 3kp0 s ALA 38 Ca 0.65 -2.83 -0.13 0.00 0.00 0.00 0.00 51.96 49.65 3kp0 s ALA 38 Cb -0.52 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 20.50 3kp0 s ALA 38 CO 0.49 -1.84 0.71 0.39 0.00 0.00 0.00 175.76 175.51 3kp0 n GLU 39 N 3.89 -0.15 -1.54 0.00 4.71 -1.26 -3.46 120.64 122.83 3kp0 n GLU 39 Ca 0.04 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 3kp0 n GLU 39 Cb 0.39 -2.06 0.00 0.00 -1.01 0.00 0.00 31.44 28.76 3kp0 n GLU 39 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kp0 n ASN 40 N -2.06 0.00 -4.76 1.62 3.02 -1.26 -4.74 115.26 107.08 3kp0 n ASN 40 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 3kp0 n ASN 40 Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 3kp0 n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kp0 s LEU 41 N -1.83 4.36 -0.26 3.41 2.96 -1.07 -4.67 118.68 121.59 3kp0 s LEU 41 Ca 0.00 2.86 -0.04 0.00 -0.22 0.00 0.00 54.13 56.72 3kp0 s LEU 41 Cb 0.00 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3kp0 s LEU 41 CO 0.00 -0.79 -0.00 -1.58 -1.32 0.00 0.00 176.35 172.66 3kp0 s GLN 42 N -1.00 3.12 -0.10 1.98 2.00 -1.26 -0.80 119.66 123.59 3kp0 s GLN 42 Ca 0.58 -0.81 -0.00 0.00 -2.00 0.00 0.00 55.36 53.13 3kp0 s GLN 42 Cb -0.45 -3.14 0.02 0.00 0.80 0.00 0.00 33.01 30.24 3kp0 s GLN 42 CO 0.51 -0.35 -0.07 -1.64 -0.50 0.00 0.00 175.29 173.24 3kp0 s MET 43 N 1.44 1.45 6.97 1.67 -1.94 -0.70 -5.00 119.30 123.19 3kp0 s MET 43 Ca 0.03 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 3kp0 s MET 43 Cb -0.16 -1.49 0.00 0.00 2.01 0.00 0.00 34.83 35.19 3kp0 s MET 43 CO -0.01 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.18 3kp0 n GLY 44 N 4.80 3.31 0.44 -0.03 0.00 -1.26 -2.02 105.19 110.42 3kp0 n GLY 44 Ca -0.14 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.69 3kp0 n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kp0 n PRO 45 N 14.00 1.55 -4.41 1.61 -0.04 -1.26 -4.95 135.00 141.50 3kp0 n PRO 45 Ca 0.00 -0.85 -0.26 0.00 -0.04 0.00 0.00 63.50 62.35 3kp0 n PRO 45 Cb 0.00 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 3kp0 n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kp0 s PHE 46 N -1.69 2.36 -0.10 0.54 0.08 -0.85 -5.13 117.98 113.19 3kp0 s PHE 46 Ca 0.17 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.92 3kp0 s PHE 46 Cb 0.09 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 3kp0 s PHE 46 CO 0.12 0.53 -0.21 0.42 -0.10 0.00 0.00 175.22 175.97 3kp0 s ILE 47 N -1.78 1.85 -0.08 0.64 1.01 -1.26 -1.71 121.20 119.86 3kp0 s ILE 47 Ca 0.23 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 3kp0 s ILE 47 Cb -0.08 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3kp0 s ILE 47 CO 0.11 0.51 -0.05 -0.31 0.00 0.00 0.00 174.94 175.20 3kp0 s TYR 48 N 0.45 2.98 -0.17 3.97 2.02 0.01 -4.96 117.35 121.66 3kp0 s TYR 48 Ca -0.17 0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.45 3kp0 s TYR 48 Cb -0.17 -1.76 -0.23 0.00 -0.40 0.00 0.00 41.96 39.40 3kp0 s TYR 48 CO 0.07 0.30 0.20 1.63 -1.57 0.00 0.00 175.55 176.18 3kp0 n LYS 49 N 2.39 0.70 -2.16 -0.62 4.76 -1.26 -2.60 118.16 119.37 3kp0 n LYS 49 Ca -0.18 0.30 -0.31 0.00 -2.87 0.00 0.00 58.31 55.25 3kp0 n LYS 49 Cb 0.53 -1.67 0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3kp0 n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kp0 n ASP 50 N -3.66 5.77 -4.92 4.39 8.00 -1.26 -4.72 116.55 120.15 3kp0 n ASP 50 Ca -0.36 -3.76 -0.20 0.00 0.71 0.00 0.00 54.79 51.18 3kp0 n ASP 50 Cb 0.96 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 3kp0 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kp0 s ALA 51 N -3.72 4.04 0.43 2.24 0.00 -1.26 -3.02 121.76 120.47 3kp0 s ALA 51 Ca 0.51 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3kp0 s ALA 51 Cb 0.42 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 3kp0 s ALA 51 CO -0.20 -0.03 0.09 -1.54 0.00 0.00 0.00 175.76 174.08 3kp0 s SER 52 N -4.09 4.14 0.29 0.00 1.04 -0.56 -2.11 113.70 112.42 3kp0 s SER 52 Ca 0.43 -1.29 -0.28 0.00 0.48 0.00 0.00 55.95 55.29 3kp0 s SER 52 Cb -0.07 -0.30 -0.14 0.00 0.10 0.00 0.00 66.02 65.61 3kp0 s SER 52 CO 0.29 -0.56 1.06 0.41 0.98 0.00 0.00 173.24 175.42 3kp0 n THR 53 N -1.13 1.94 -2.18 2.02 -1.04 0.13 -4.54 114.28 109.48 3kp0 n THR 53 Ca -0.05 -0.49 -0.35 0.00 -2.04 0.00 0.00 64.05 61.12 3kp0 n THR 53 Cb 0.66 -1.08 0.01 0.00 -1.82 0.00 0.00 70.33 68.10 3kp0 n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kp0 s PRO 54 N -1.54 3.24 0.52 -2.82 0.02 -1.26 -4.82 135.00 128.34 3kp0 s PRO 54 Ca 0.59 1.68 -0.18 0.00 0.02 0.00 0.00 61.00 63.11 3kp0 s PRO 54 Cb -0.69 -1.98 -0.07 0.00 0.02 0.00 0.00 34.50 31.78 3kp0 s PRO 54 CO 0.60 -0.96 1.01 -0.51 -0.33 0.00 0.00 177.00 176.81 3kp0 s LEU 55 N -3.89 3.67 0.19 -5.54 1.43 -1.26 -4.98 118.68 108.30 3kp0 s LEU 55 Ca 0.74 1.71 0.19 0.00 -1.03 0.00 0.00 54.13 55.74 3kp0 s LEU 55 Cb -0.26 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.43 3kp0 s LEU 55 CO 0.29 -0.74 1.09 -0.33 0.23 0.00 0.00 176.35 176.88 3kp0 h GLU 56 N 1.03 0.00 -2.88 1.70 5.08 -1.08 -3.45 114.58 114.98 3kp0 h GLU 56 Ca -0.48 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.66 3kp0 h GLU 56 Cb 1.20 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.12 3kp0 h GLU 56 CO 0.60 0.19 -0.54 -0.80 -1.00 0.00 0.00 179.01 177.46 3kp0 s ASN 57 N -5.79 0.38 0.16 1.42 0.01 -1.12 -5.02 114.94 104.98 3kp0 s ASN 57 Ca 0.00 0.58 -0.25 0.00 -0.71 0.00 0.00 52.86 52.48 3kp0 s ASN 57 Cb 0.08 0.67 0.06 0.00 0.41 0.00 0.00 41.25 42.47 3kp0 s ASN 57 CO 0.78 -0.24 0.92 -0.94 -1.51 0.00 0.00 177.10 176.10 3kp0 s SER 58 N 2.40 -0.21 -0.31 -1.22 1.04 -1.26 -4.55 113.70 109.59 3kp0 s SER 58 Ca 0.01 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 3kp0 s SER 58 Cb -0.12 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3kp0 s SER 58 CO -0.08 -0.95 0.19 -0.69 0.98 0.00 0.00 173.24 172.69 3kp0 s VAL 59 N -3.37 5.03 0.77 5.02 1.01 -0.26 -5.04 120.40 123.57 3kp0 s VAL 59 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 3kp0 s VAL 59 Cb -0.02 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.97 3kp0 s VAL 59 CO 0.02 0.11 1.07 0.00 0.00 0.00 0.00 175.10 176.30 3kp0 s ALA 60 N 1.70 3.17 0.44 5.51 0.00 -1.26 -4.64 121.76 126.67 3kp0 s ALA 60 Ca 0.06 -1.32 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 3kp0 s ALA 60 Cb -0.17 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 3kp0 s ALA 60 CO 0.09 -1.61 1.13 -0.51 0.00 0.00 0.00 175.76 174.86 3kp0 s LEU 61 N -5.34 4.05 0.20 0.00 1.43 -1.26 -4.89 118.68 112.86 3kp0 s LEU 61 Ca 0.66 2.22 -0.21 0.00 -1.03 0.00 0.00 54.13 55.76 3kp0 s LEU 61 Cb -0.07 -4.23 0.13 0.00 0.03 0.00 0.00 46.19 42.05 3kp0 s LEU 61 CO 0.46 -0.78 1.56 -0.65 0.23 0.00 0.00 176.35 177.17 3kp0 h PRO 62 N 2.18 -0.10 0.00 1.29 0.11 -2.00 0.52 132.00 134.00 3kp0 h PRO 62 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kp0 h PRO 62 Cb 1.24 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kp0 h PRO 62 CO 0.61 -0.07 0.00 0.43 -0.21 0.00 0.00 178.00 178.76 3kp0 n SER 63 N -5.43 0.00 0.00 -2.05 7.64 -1.26 -2.11 113.62 110.41 3kp0 n SER 63 Ca 0.06 -0.12 0.08 0.00 1.01 0.00 0.00 58.87 59.90 3kp0 n SER 63 Cb 0.36 -0.13 0.44 0.00 -1.01 0.00 0.00 64.21 63.88 3kp0 n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kp0 n ALA 64 N -1.13 2.04 0.15 -0.43 0.00 0.18 -2.20 120.51 119.12 3kp0 n ALA 64 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.43 3kp0 n ALA 64 Cb 0.06 -1.25 0.16 0.00 0.00 0.00 0.00 19.45 18.42 3kp0 n ALA 64 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3kp0 h LYS 65 N 0.00 0.00 0.00 0.00 2.10 -1.58 0.99 116.57 118.08 3kp0 h LYS 65 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kp0 h LYS 65 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3kp0 h LYS 65 CO 0.00 0.56 0.00 0.66 -2.00 0.00 0.00 179.45 178.67 3kp0 n TYR 66 N -3.51 0.00 -2.71 0.07 4.01 -0.94 -3.74 117.16 110.34 3kp0 n TYR 66 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 3kp0 n TYR 66 Cb 0.65 -0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.68 3kp0 n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kp0 n PHE 67 N -1.03 0.86 -1.70 -0.72 3.72 -1.07 -4.99 117.46 112.53 3kp0 n PHE 67 Ca 0.21 -1.60 -0.06 0.00 -0.05 0.00 0.00 57.45 55.95 3kp0 n PHE 67 Cb 0.12 -0.21 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 3kp0 n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kp0 n GLY 68 N -0.25 0.44 3.35 1.37 0.00 -1.16 -3.11 105.19 105.84 3kp0 n GLY 68 Ca 0.07 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 3kp0 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kp0 n ASP 69 N 0.92 -4.57 -4.76 1.61 9.92 0.34 -4.95 116.55 115.05 3kp0 n ASP 69 Ca -0.07 -0.42 -0.39 0.00 -0.53 0.00 0.00 54.79 53.38 3kp0 n ASP 69 Cb 0.40 -3.73 0.01 0.00 -0.64 0.00 0.00 41.12 37.16 3kp0 n ASP 69 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3kp0 s ILE 70 N -3.06 2.44 -0.53 0.53 -4.36 -1.18 -4.83 121.20 110.21 3kp0 s ILE 70 Ca 0.42 0.37 0.07 0.00 -0.26 0.00 0.00 60.65 61.25 3kp0 s ILE 70 Cb -0.21 -3.21 0.27 0.00 1.25 0.00 0.00 42.46 40.56 3kp0 s ILE 70 CO 0.51 0.04 0.71 -0.67 0.24 0.00 0.00 174.94 175.77 3kp0 n ASP 71 N -0.22 2.57 -4.68 4.36 2.03 -1.26 -4.62 116.55 114.73 3kp0 n ASP 71 Ca 0.06 -3.23 -0.43 0.00 0.52 0.00 0.00 54.79 51.71 3kp0 n ASP 71 Cb 0.44 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 40.19 3kp0 n ASP 71 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3kp0 n PRO 72 N 0.78 2.06 -4.98 -0.67 -0.02 -1.26 -4.72 135.00 126.19 3kp0 n PRO 72 Ca 0.27 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 62.15 3kp0 n PRO 72 Cb 0.47 -2.32 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 3kp0 n PRO 72 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kp0 s GLN 73 N -1.41 2.93 0.60 -0.52 -1.52 -1.26 -4.96 119.66 113.52 3kp0 s GLN 73 Ca 0.59 -0.77 -0.10 0.00 -1.95 0.00 0.00 55.36 53.14 3kp0 s GLN 73 Cb -0.60 -2.41 0.14 0.00 -0.22 0.00 0.00 33.01 29.91 3kp0 s GLN 73 CO 0.58 0.35 0.81 -0.35 -0.25 0.00 0.00 175.29 176.43 3kp0 n PRO 74 N 3.10 -0.75 0.09 2.91 -0.05 -1.26 -1.49 135.00 137.54 3kp0 n PRO 74 Ca -0.18 -1.30 -0.17 0.00 -0.05 0.00 0.00 63.50 61.81 3kp0 n PRO 74 Cb 0.52 -0.82 -0.10 0.00 -0.05 0.00 0.00 33.50 33.05 3kp0 n PRO 74 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 175.50 176.82 3kp0 h LEU 75 N 0.00 0.60 -9.92 1.53 -0.00 -1.81 -3.30 115.31 102.40 3kp0 h LEU 75 Ca -0.26 -0.55 -0.51 0.00 -0.00 0.00 0.00 57.88 56.56 3kp0 h LEU 75 Cb 0.73 -0.19 0.05 0.00 -0.00 0.00 0.00 40.66 41.26 3kp0 h LEU 75 CO 0.19 1.38 0.52 -2.84 -0.00 0.00 0.00 178.44 177.69 3kp0 s PRO 76 N -2.97 4.16 0.29 0.17 0.02 -1.26 -4.47 135.00 130.95 3kp0 s PRO 76 Ca -0.06 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 3kp0 s PRO 76 Cb 0.07 -2.78 -0.11 0.00 0.02 0.00 0.00 34.50 31.71 3kp0 s PRO 76 CO 0.89 -0.24 1.46 0.08 -0.33 0.00 0.00 177.00 178.86 3kp0 s VAL 77 N -1.35 2.45 -0.27 3.83 1.01 -1.09 -4.75 120.40 120.22 3kp0 s VAL 77 Ca 0.55 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 3kp0 s VAL 77 Cb -0.32 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3kp0 s VAL 77 CO 0.40 0.07 -0.04 -0.63 0.00 0.00 0.00 175.10 174.91 3kp0 s ILE 78 N -0.37 2.96 0.21 2.22 -1.09 -1.26 0.21 121.20 124.08 3kp0 s ILE 78 Ca 0.57 -1.12 -0.15 0.00 -2.23 0.00 0.00 60.65 57.72 3kp0 s ILE 78 Cb -0.43 -2.57 -0.08 0.00 -1.58 0.00 0.00 42.46 37.80 3kp0 s ILE 78 CO 0.49 0.09 0.64 -0.89 -1.23 0.00 0.00 174.94 174.04 3kp0 s THR 79 N 1.31 4.75 0.02 2.92 2.01 -1.20 -2.37 115.64 123.08 3kp0 s THR 79 Ca -0.02 0.93 0.02 0.00 0.31 0.00 0.00 61.69 62.93 3kp0 s THR 79 Cb -0.18 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 3kp0 s THR 79 CO -0.03 0.10 -0.07 0.28 -0.69 0.00 0.00 174.62 174.22 3kp0 s THR 80 N -1.63 0.48 -0.22 -0.82 -1.32 -0.70 -2.65 115.64 108.77 3kp0 s THR 80 Ca 0.44 -0.67 -0.05 0.00 -1.21 0.00 0.00 61.69 60.20 3kp0 s THR 80 Cb -0.14 -0.49 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 3kp0 s THR 80 CO 0.20 -0.14 0.00 -0.70 -2.21 0.00 0.00 174.62 171.76 3kp0 s GLU 81 N -0.88 3.52 -0.26 7.08 2.12 -1.26 -2.08 118.70 126.93 3kp0 s GLU 81 Ca -0.04 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 3kp0 s GLU 81 Cb -0.06 -3.12 0.08 0.00 0.26 0.00 0.00 34.13 31.29 3kp0 s GLU 81 CO 0.00 -0.15 0.07 0.42 -0.54 0.00 0.00 175.26 175.06 3kp0 s ILE 82 N 1.41 0.75 -0.28 -3.70 1.01 -0.77 -4.99 121.20 114.63 3kp0 s ILE 82 Ca 0.05 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3kp0 s ILE 82 Cb -0.15 -1.43 0.16 0.00 0.01 0.00 0.00 42.46 41.06 3kp0 s ILE 82 CO 0.00 -0.48 0.44 0.00 0.00 0.00 0.00 174.94 174.90 3kp0 s ALA 83 N 1.71 -1.43 -0.31 9.38 0.00 -1.26 -4.60 121.76 125.24 3kp0 s ALA 83 Ca 0.05 0.60 0.20 0.00 0.00 0.00 0.00 51.96 52.81 3kp0 s ALA 83 Cb -0.17 -2.07 -0.28 0.00 0.00 0.00 0.00 23.12 20.59 3kp0 s ALA 83 CO -0.19 -1.63 0.57 -1.13 0.00 0.00 0.00 175.76 173.37 3kp0 n SER 84 N 5.37 0.55 0.00 0.00 3.41 -1.26 -4.05 113.62 117.64 3kp0 n SER 84 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3kp0 n SER 84 Cb 0.50 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 66.08 3kp0 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kp0 n GLY 85 N 1.39 0.84 2.99 5.00 0.00 -1.24 -4.51 105.19 109.66 3kp0 n GLY 85 Ca -0.01 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3kp0 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kp0 s ARG 86 N 0.00 2.09 0.63 1.61 0.52 -1.26 0.02 118.95 122.55 3kp0 s ARG 86 Ca 0.00 -2.55 0.24 0.00 -0.52 0.00 0.00 55.73 52.90 3kp0 s ARG 86 Cb 0.00 -3.41 1.14 0.00 0.52 0.00 0.00 34.95 33.19 3kp0 s ARG 86 CO 0.00 -1.11 1.62 0.27 0.02 0.00 0.00 175.30 176.09 3kp0 h PHE 87 N 6.71 0.00 0.04 -0.53 -5.15 -1.95 -2.32 116.94 113.74 3kp0 h PHE 87 Ca -0.06 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.48 3kp0 h PHE 87 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.08 3kp0 h PHE 87 CO 0.56 0.00 -1.00 1.05 -2.00 0.00 0.00 178.31 176.92 3kp0 h GLU 88 N 0.00 0.23 -0.12 6.09 9.09 -2.00 -2.51 114.58 125.36 3kp0 h GLU 88 Ca 0.18 -0.29 -0.20 0.00 0.05 0.00 0.00 59.36 59.09 3kp0 h GLU 88 Cb 1.56 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.76 3kp0 h GLU 88 CO -0.00 1.05 -0.75 -0.44 0.05 0.00 0.00 179.01 178.92 3kp0 h ASP 89 N 0.11 0.72 0.47 3.06 3.32 -1.76 -3.33 116.42 119.01 3kp0 h ASP 89 Ca -0.07 -0.47 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 3kp0 h ASP 89 Cb 1.67 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 3kp0 h ASP 89 CO 0.16 1.25 -0.42 0.44 -1.72 0.00 0.00 179.24 178.94 3kp0 h ASP 90 N 0.42 0.00 0.00 6.45 3.32 -1.47 -1.46 116.42 123.68 3kp0 h ASP 90 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kp0 h ASP 90 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3kp0 h ASP 90 CO 0.14 0.42 0.28 0.40 -1.72 0.00 0.00 179.24 178.77 3kp0 h ILE 91 N 0.00 0.00 0.16 0.35 2.04 -1.55 0.26 117.51 118.77 3kp0 h ILE 91 Ca -0.00 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.50 3kp0 h ILE 91 Cb 0.77 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3kp0 h ILE 91 CO 0.05 0.00 -1.84 0.03 0.00 0.00 0.00 178.15 176.39 3kp0 h ARG 92 N 0.00 0.34 -0.28 2.37 3.08 -1.48 -3.19 114.38 115.22 3kp0 h ARG 92 Ca 0.00 -0.59 -0.03 0.00 0.07 0.00 0.00 59.98 59.43 3kp0 h ARG 92 Cb 0.57 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3kp0 h ARG 92 CO 0.00 1.27 0.03 -0.09 -1.07 0.00 0.00 179.97 180.12 3kp0 h ARG 93 N 0.09 0.41 -0.14 0.04 2.43 -1.00 -1.40 114.38 114.82 3kp0 h ARG 93 Ca -0.37 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.76 3kp0 h ARG 93 Cb 2.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.52 3kp0 h ARG 93 CO 0.14 0.41 -0.07 0.52 -1.51 0.00 0.00 179.97 179.47 3kp0 h MET 94 N 0.41 -0.05 -0.40 0.20 2.86 -0.69 -1.73 114.93 115.52 3kp0 h MET 94 Ca 0.09 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3kp0 h MET 94 Cb 0.22 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3kp0 h MET 94 CO 0.00 -0.04 0.26 -0.09 1.06 0.00 0.00 176.91 178.11 3kp0 h ARG 95 N -0.06 0.48 -0.23 1.72 2.43 -1.25 -0.09 114.38 117.39 3kp0 h ARG 95 Ca 0.08 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 3kp0 h ARG 95 Cb 0.17 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3kp0 h ARG 95 CO -0.17 0.32 -0.58 0.52 -1.51 0.00 0.00 179.97 178.54 3kp0 h MET 96 N 0.50 0.74 -0.23 0.20 2.86 -1.21 -2.60 114.93 115.18 3kp0 h MET 96 Ca 0.15 -0.49 -0.09 0.00 -2.06 0.00 0.00 59.70 57.21 3kp0 h MET 96 Cb 0.00 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 3kp0 h MET 96 CO -0.03 1.11 -0.21 0.00 1.06 0.00 0.00 176.91 178.84 3kp0 h ALA 97 N 0.78 0.34 -0.59 6.32 0.00 -0.37 -2.84 119.26 122.90 3kp0 h ALA 97 Ca 0.00 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.65 3kp0 h ALA 97 Cb 1.17 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 3kp0 h ALA 97 CO 0.12 0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.82 3kp0 h ALA 98 N 0.67 0.73 0.00 0.00 0.00 -1.06 0.36 119.26 119.97 3kp0 h ALA 98 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kp0 h ALA 98 Cb 0.75 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kp0 h ALA 98 CO 0.05 -0.25 -0.03 -1.49 0.00 0.00 0.00 179.25 177.53 3kp0 h TRP 99 N 0.33 0.00 -0.09 0.00 4.06 -1.42 -2.76 115.95 116.07 3kp0 h TRP 99 Ca 0.30 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.25 3kp0 h TRP 99 Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 3kp0 h TRP 99 CO -0.21 0.03 0.00 0.72 -3.56 0.00 0.00 178.44 175.42 3kp0 n HIS 100 N -3.31 0.09 0.00 0.49 8.25 0.12 -1.10 115.22 119.76 3kp0 n HIS 100 Ca -0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3kp0 n HIS 100 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3kp0 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kp0 n GLY 101 N 1.35 1.83 3.68 -1.41 0.00 -0.68 -4.37 105.19 105.59 3kp0 n GLY 101 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kp0 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp0 s ALA 102 N -1.66 3.63 -0.11 4.61 0.00 -1.01 -4.75 121.76 122.47 3kp0 s ALA 102 Ca 0.00 1.00 0.16 0.00 0.00 0.00 0.00 51.96 53.13 3kp0 s ALA 102 Cb 0.00 -3.69 0.26 0.00 0.00 0.00 0.00 23.12 19.69 3kp0 s ALA 102 CO 0.00 -1.17 1.13 -0.40 0.00 0.00 0.00 175.76 175.32 3kp0 n ASP 103 N 6.16 2.00 -3.51 0.00 5.75 -1.00 -4.13 116.55 121.82 3kp0 n ASP 103 Ca 0.16 -2.97 -0.26 0.00 -0.01 0.00 0.00 54.79 51.71 3kp0 n ASP 103 Cb 0.42 -0.40 -0.14 0.00 -1.03 0.00 0.00 41.12 39.97 3kp0 n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kp0 s HIS 104 N -2.48 0.12 -0.30 2.11 5.04 -1.06 -1.11 115.29 117.62 3kp0 s HIS 104 Ca 0.28 -0.65 -0.10 0.00 -1.54 0.00 0.00 55.06 53.05 3kp0 s HIS 104 Cb 0.25 -0.77 -0.02 0.00 0.04 0.00 0.00 32.58 32.07 3kp0 s HIS 104 CO 0.02 -0.82 0.16 0.42 -2.34 0.00 0.00 174.74 172.18 3kp0 s ILE 105 N 2.17 4.84 -0.14 0.89 -1.09 -0.36 -1.73 121.20 125.77 3kp0 s ILE 105 Ca 0.09 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 3kp0 s ILE 105 Cb -0.16 -3.39 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 3kp0 s ILE 105 CO -0.33 0.15 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.06 3kp0 s MET 106 N 1.67 3.26 -0.19 2.79 -2.45 -0.88 -0.94 119.30 122.55 3kp0 s MET 106 Ca 0.06 -0.74 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 3kp0 s MET 106 Cb -0.16 -2.60 0.02 0.00 1.25 0.00 0.00 34.83 33.33 3kp0 s MET 106 CO 0.08 0.09 -0.17 0.08 1.05 0.00 0.00 175.02 176.15 3kp0 s VAL 107 N 0.63 2.27 0.05 10.11 1.01 -0.35 -1.85 120.40 132.27 3kp0 s VAL 107 Ca -0.08 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3kp0 s VAL 107 Cb -0.16 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3kp0 s VAL 107 CO 0.03 0.48 1.02 -0.63 0.00 0.00 0.00 175.10 176.00 3kp0 s ILE 108 N 1.31 4.56 0.36 2.22 1.01 -1.26 -4.36 121.20 125.03 3kp0 s ILE 108 Ca 0.04 1.92 -0.28 0.00 0.00 0.00 0.00 60.65 62.34 3kp0 s ILE 108 Cb -0.14 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 3kp0 s ILE 108 CO -0.11 0.20 1.29 -0.13 0.00 0.00 0.00 174.94 176.18 3kp0 s ARG 109 N 0.68 4.24 0.46 2.79 0.52 -1.26 -1.44 118.95 124.94 3kp0 s ARG 109 Ca 0.52 2.15 -0.23 0.00 -0.52 0.00 0.00 55.73 57.65 3kp0 s ARG 109 Cb -0.24 -2.96 -0.10 0.00 0.52 0.00 0.00 34.95 32.18 3kp0 s ARG 109 CO 0.29 -0.27 0.91 -2.37 0.02 0.00 0.00 175.30 173.88 3kp0 n THR 110 N 0.57 2.54 -1.59 0.02 5.66 0.25 -4.51 114.28 117.21 3kp0 n THR 110 Ca 0.01 -0.50 -0.56 0.00 -3.05 0.00 0.00 64.05 59.95 3kp0 n THR 110 Cb 0.43 -1.04 -0.07 0.00 -1.55 0.00 0.00 70.33 68.10 3kp0 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kp0 n ALA 111 N -0.82 -1.71 -0.79 1.79 0.00 -0.43 -1.45 120.51 117.10 3kp0 n ALA 111 Ca 0.10 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3kp0 n ALA 111 Cb 0.41 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3kp0 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp0 n GLY 112 N 2.53 0.85 0.35 0.00 0.00 -1.26 -4.92 105.19 102.74 3kp0 n GLY 112 Ca 0.21 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.41 3kp0 n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kp0 h GLN 113 N 3.11 0.00 -0.70 1.61 4.15 -1.56 0.49 115.11 122.21 3kp0 h GLN 113 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.62 3kp0 h GLN 113 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3kp0 h GLN 113 CO 0.00 0.00 0.56 0.77 -1.93 0.00 0.00 178.83 178.23 3kp0 h SER 114 N 0.00 0.00 -0.07 -0.69 0.02 -1.91 -1.68 113.55 109.22 3kp0 h SER 114 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3kp0 h SER 114 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3kp0 h SER 114 CO -0.00 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.10 3kp0 n HIS 115 N -4.12 0.06 -2.13 3.45 8.25 0.16 -1.45 115.22 119.44 3kp0 n HIS 115 Ca 0.14 -0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 3kp0 n HIS 115 Cb 0.82 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.90 3kp0 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kp0 s TYR 116 N -1.94 2.10 -0.63 4.41 2.02 -0.63 -4.88 117.35 117.79 3kp0 s TYR 116 Ca 0.29 0.60 -0.06 0.00 -0.37 0.00 0.00 57.07 57.53 3kp0 s TYR 116 Cb 0.20 -4.06 -0.08 0.00 -0.40 0.00 0.00 41.96 37.63 3kp0 s TYR 116 CO 0.30 -2.76 3.06 -3.47 -1.57 0.00 0.00 175.55 171.11 3kp0 n ASP 117 N 8.93 6.68 0.00 2.29 2.03 -1.26 -3.81 116.55 131.41 3kp0 n ASP 117 Ca 0.19 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.68 3kp0 n ASP 117 Cb 0.46 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 3kp0 n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp0 n GLY 118 N 2.07 0.64 3.81 0.27 0.00 -1.26 -4.93 105.19 105.78 3kp0 n GLY 118 Ca 0.54 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 3kp0 n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kp0 s LEU 119 N 0.00 3.16 0.37 0.99 1.43 -1.26 -4.92 118.68 118.45 3kp0 s LEU 119 Ca 0.00 1.69 0.08 0.00 -1.03 0.00 0.00 54.13 54.86 3kp0 s LEU 119 Cb 0.00 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 3kp0 s LEU 119 CO 0.00 -1.53 0.32 0.27 0.23 0.00 0.00 176.35 175.63 3kp0 s ILE 120 N -2.94 3.07 0.04 -0.59 -4.36 -1.26 -5.15 121.20 110.01 3kp0 s ILE 120 Ca 0.59 -1.39 0.05 0.00 -0.26 0.00 0.00 60.65 59.65 3kp0 s ILE 120 Cb -0.15 -3.08 -0.02 0.00 1.25 0.00 0.00 42.46 40.46 3kp0 s ILE 120 CO 0.53 -0.09 -0.16 -1.61 0.24 0.00 0.00 174.94 173.85 3kp0 s GLU 121 N -4.04 1.04 1.37 0.37 0.41 -1.26 -4.43 118.70 112.16 3kp0 s GLU 121 Ca 0.44 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 3kp0 s GLU 121 Cb -0.04 -1.08 0.00 0.00 -1.78 0.00 0.00 34.13 31.22 3kp0 s GLU 121 CO 0.27 0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.72 3kp0 n GLY 122 N 1.87 0.08 2.21 -1.39 0.00 -1.25 -4.52 105.19 102.20 3kp0 n GLY 122 Ca -0.18 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 3kp0 n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kp0 n THR 123 N 0.00 -0.50 -1.11 2.61 -2.24 -1.26 -4.30 114.28 107.48 3kp0 n THR 123 Ca 0.00 -4.08 -0.29 0.00 -2.27 0.00 0.00 64.05 57.41 3kp0 n THR 123 Cb 0.00 -1.27 0.20 0.00 -2.10 0.00 0.00 70.33 67.17 3kp0 n THR 123 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3kp0 s PRO 124 N -1.50 -0.27 0.21 -0.78 0.02 -1.26 -3.42 135.00 127.99 3kp0 s PRO 124 Ca 0.36 0.30 -0.29 0.00 0.02 0.00 0.00 61.00 61.39 3kp0 s PRO 124 Cb 0.23 -1.67 -0.08 0.00 0.02 0.00 0.00 34.50 32.99 3kp0 s PRO 124 CO -0.10 -3.16 0.92 -1.14 -0.33 0.00 0.00 177.00 173.19 3kp0 s GLN 125 N -5.10 4.80 0.61 5.54 0.74 -1.26 -4.67 119.66 120.32 3kp0 s GLN 125 Ca 0.67 1.43 -0.07 0.00 0.05 0.00 0.00 55.36 57.45 3kp0 s GLN 125 Cb -0.16 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 30.67 3kp0 s GLN 125 CO 0.57 0.48 0.94 0.20 -0.55 0.00 0.00 175.29 176.94 3kp0 s GLY 126 N -1.01 1.61 -0.18 2.59 0.00 0.10 -4.88 107.32 105.56 3kp0 s GLY 126 Ca 0.41 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.53 3kp0 s GLY 126 CO 0.31 -0.31 -0.20 -0.42 0.00 0.00 0.00 173.10 172.48 3kp0 s ILE 127 N -3.06 2.11 -0.80 0.90 -1.09 -1.26 -4.63 121.20 113.36 3kp0 s ILE 127 Ca 0.55 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 3kp0 s ILE 127 Cb -0.11 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 3kp0 s ILE 127 CO 0.47 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.32 3kp0 n GLY 128 N 4.60 -0.10 0.00 6.18 0.00 -1.26 -1.31 105.19 113.30 3kp0 n GLY 128 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3kp0 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp0 n GLY 129 N -0.55 1.79 3.75 -0.02 0.00 -1.26 -4.64 105.19 104.27 3kp0 n GLY 129 Ca -0.10 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 3kp0 n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp0 s VAL 130 N -2.00 3.91 -0.22 1.61 1.01 -0.52 -3.71 120.40 120.48 3kp0 s VAL 130 Ca 0.00 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.54 3kp0 s VAL 130 Cb 0.00 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3kp0 s VAL 130 CO 0.00 0.41 1.03 -2.84 0.00 0.00 0.00 175.10 173.70 3kp0 s PRO 131 N -1.06 4.28 -0.30 2.72 0.02 -1.26 0.85 135.00 140.25 3kp0 s PRO 131 Ca 0.44 1.34 -0.27 0.00 0.02 0.00 0.00 61.00 62.53 3kp0 s PRO 131 Cb -0.28 -3.63 0.01 0.00 0.02 0.00 0.00 34.50 30.62 3kp0 s PRO 131 CO 0.35 -0.59 0.95 0.42 -0.33 0.00 0.00 177.00 177.81 3kp0 s ILE 132 N 3.04 4.65 0.26 2.83 -1.09 -1.26 -4.91 121.20 124.71 3kp0 s ILE 132 Ca 0.44 1.56 0.05 0.00 -2.23 0.00 0.00 60.65 60.47 3kp0 s ILE 132 Cb -0.15 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.42 3kp0 s ILE 132 CO 0.08 -0.34 0.17 0.35 -1.23 0.00 0.00 174.94 173.97 3kp0 n THR 133 N 5.65 0.00 -0.02 2.92 -2.24 -1.26 -4.48 114.28 114.85 3kp0 n THR 133 Ca 0.09 -1.75 -0.16 0.00 -2.27 0.00 0.00 64.05 59.96 3kp0 n THR 133 Cb 0.47 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 3kp0 n THR 133 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3kp0 h ARG 134 N 0.00 0.44 0.15 -0.78 2.43 -1.86 -2.46 114.38 112.31 3kp0 h ARG 134 Ca -0.19 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 3kp0 h ARG 134 Cb 0.87 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3kp0 h ARG 134 CO 0.28 1.04 -0.14 -0.22 -1.51 0.00 0.00 179.97 179.42 3kp0 h LYS 135 N -0.03 -0.30 -0.56 0.20 3.64 -1.81 0.12 116.57 117.83 3kp0 h LYS 135 Ca -0.04 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3kp0 h LYS 135 Cb 1.16 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 3kp0 h LYS 135 CO 0.10 -0.20 0.34 0.37 -2.27 0.00 0.00 179.45 177.78 3kp0 h GLN 136 N -0.32 0.64 -0.51 1.90 -0.00 -1.75 0.33 115.11 115.41 3kp0 h GLN 136 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.65 58.49 3kp0 h GLN 136 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 3kp0 h GLN 136 CO -0.03 0.42 -0.16 0.28 0.00 0.00 0.00 178.83 179.35 3kp0 h VAL 137 N 0.66 1.27 -0.57 2.39 2.07 -1.23 -0.79 116.25 120.04 3kp0 h VAL 137 Ca 0.23 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3kp0 h VAL 137 Cb 0.04 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kp0 h VAL 137 CO -0.11 0.46 0.14 0.03 0.02 0.00 0.00 177.57 178.12 3kp0 h ARG 138 N 0.88 0.91 0.00 1.57 3.08 -0.44 -1.56 114.38 118.83 3kp0 h ARG 138 Ca 0.13 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kp0 h ARG 138 Cb 0.73 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3kp0 h ARG 138 CO 0.06 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 179.80 3kp0 n ALA 139 N -2.40 -0.37 -0.32 0.04 0.00 0.11 -1.26 120.51 116.32 3kp0 n ALA 139 Ca 0.03 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.69 3kp0 n ALA 139 Cb 0.23 0.07 0.51 0.00 0.00 0.00 0.00 19.45 20.26 3kp0 n ALA 139 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kp0 h GLN 140 N 0.00 0.38 -0.02 0.00 4.20 -1.23 0.07 115.11 118.53 3kp0 h GLN 140 Ca 0.00 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 3kp0 h GLN 140 Cb 0.00 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3kp0 h GLN 140 CO 0.00 0.25 -0.66 -0.09 -0.67 0.00 0.00 178.83 177.67 3kp0 h ARG 141 N 0.40 0.08 -0.33 1.46 9.65 -1.23 -0.59 114.38 123.82 3kp0 h ARG 141 Ca 0.58 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 59.27 3kp0 h ARG 141 Cb 1.47 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.05 3kp0 h ARG 141 CO -0.28 0.71 -0.33 -0.22 2.80 0.00 0.00 179.97 182.65 3kp0 h LYS 142 N 0.05 0.74 -0.20 0.20 3.64 0.37 -1.84 116.57 119.53 3kp0 h LYS 142 Ca -0.01 -0.35 -0.10 0.00 -1.27 0.00 0.00 60.65 58.92 3kp0 h LYS 142 Cb 1.17 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3kp0 h LYS 142 CO 0.09 0.96 -0.26 0.00 -2.27 0.00 0.00 179.45 177.97 3kp0 h ALA 143 N 1.01 0.31 -0.18 5.00 0.00 -0.95 -3.05 119.26 121.39 3kp0 h ALA 143 Ca 0.07 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3kp0 h ALA 143 Cb 0.86 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kp0 h ALA 143 CO 0.07 0.29 0.12 -0.07 0.00 0.00 0.00 179.25 179.67 3kp0 h LEU 144 N 0.21 0.15 -0.63 0.00 3.38 -1.09 -0.14 115.31 117.18 3kp0 h LEU 144 Ca 0.03 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3kp0 h LEU 144 Cb 0.83 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3kp0 h LEU 144 CO 0.06 0.10 0.40 0.44 0.09 0.00 0.00 178.44 179.54 3kp0 h ASP 145 N 0.17 0.67 0.78 -0.43 3.32 -1.22 0.87 116.42 120.58 3kp0 h ASP 145 Ca 0.07 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3kp0 h ASP 145 Cb 0.08 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.49 3kp0 h ASP 145 CO -0.01 0.47 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.53 3kp0 h LEU 146 N 0.80 -0.89 -1.58 1.55 3.38 -1.33 -2.95 115.31 114.29 3kp0 h LEU 146 Ca 0.25 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.50 3kp0 h LEU 146 Cb -0.02 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3kp0 h LEU 146 CO -0.09 -0.55 0.66 0.40 0.09 0.00 0.00 178.44 178.95 3kp0 h ILE 147 N -1.21 0.57 0.00 1.22 2.04 -0.98 -1.61 117.51 117.55 3kp0 h ILE 147 Ca -0.11 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 3kp0 h ILE 147 Cb 0.80 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3kp0 h ILE 147 CO 0.18 0.05 -0.65 1.05 0.00 0.00 0.00 178.15 178.78 3kp0 h GLU 148 N 0.29 0.00 -0.16 2.37 4.11 -0.84 -2.45 114.58 117.89 3kp0 h GLU 148 Ca 0.52 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.77 3kp0 h GLU 148 Cb 1.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.76 3kp0 h GLU 148 CO -0.18 0.64 -0.62 0.93 0.07 0.00 0.00 179.01 179.86 3kp0 h GLU 149 N 0.00 0.71 -0.36 1.06 5.08 -1.17 -0.37 114.58 119.53 3kp0 h GLU 149 Ca -0.01 -0.54 0.07 0.00 -1.00 0.00 0.00 59.36 57.88 3kp0 h GLU 149 Cb 1.50 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.76 3kp0 h GLU 149 CO 0.08 1.16 -0.40 1.49 -1.00 0.00 0.00 179.01 180.35 3kp0 h GLU 150 N 0.40 -0.32 0.00 2.33 4.81 -1.32 -2.97 114.58 117.52 3kp0 h GLU 150 Ca -0.03 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 3kp0 h GLU 150 Cb 1.25 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3kp0 h GLU 150 CO 0.13 -0.21 -0.82 -0.39 -0.73 0.00 0.00 179.01 176.99 3kp0 h VAL 151 N -0.33 1.49 0.00 0.32 -1.51 -1.49 -3.38 116.25 111.35 3kp0 h VAL 151 Ca 0.14 -2.91 0.00 0.00 -1.23 0.00 0.00 66.70 62.70 3kp0 h VAL 151 Cb 0.58 2.61 0.00 0.00 -2.13 0.00 0.00 31.29 32.35 3kp0 h VAL 151 CO -0.53 0.81 0.00 0.61 -1.23 0.00 0.00 177.57 177.22 3kp0 n GLY 152 N 1.08 1.25 3.62 5.19 0.00 -0.19 -0.53 105.19 115.60 3kp0 n GLY 152 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 3kp0 n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kp0 s ARG 153 N -2.02 0.56 0.82 1.61 3.52 -0.96 -4.67 118.95 117.81 3kp0 s ARG 153 Ca 0.00 1.14 -0.15 0.00 -0.13 0.00 0.00 55.73 56.59 3kp0 s ARG 153 Cb 0.00 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.74 3kp0 s ARG 153 CO 0.00 -0.15 0.34 -0.35 -0.81 0.00 0.00 175.30 174.33 3kp0 n PRO 154 N 4.62 0.05 -3.96 5.12 -0.04 -1.26 -4.75 135.00 134.78 3kp0 n PRO 154 Ca -0.16 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 3kp0 n PRO 154 Cb 0.55 -1.73 -0.17 0.00 -0.04 0.00 0.00 33.50 32.11 3kp0 n PRO 154 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kp0 s ILE 155 N -2.10 0.40 -0.42 0.52 1.01 -1.26 -4.85 121.20 114.50 3kp0 s ILE 155 Ca 0.60 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 61.04 3kp0 s ILE 155 Cb -0.29 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.71 3kp0 s ILE 155 CO 0.64 0.22 0.75 0.20 0.00 0.00 0.00 174.94 176.75 3kp0 s ASN 156 N 1.35 6.43 0.07 3.58 0.01 -0.27 -4.92 114.94 121.19 3kp0 s ASN 156 Ca -0.05 0.00 -0.31 0.00 -0.71 0.00 0.00 52.86 51.80 3kp0 s ASN 156 Cb -0.13 -2.37 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 3kp0 s ASN 156 CO -0.02 -0.82 1.19 -0.47 -1.51 0.00 0.00 177.10 175.47 3kp0 s TYR 157 N 3.12 3.45 0.03 2.20 5.04 -1.26 -1.23 117.35 128.70 3kp0 s TYR 157 Ca 0.29 1.32 0.04 0.00 -2.44 0.00 0.00 57.07 56.28 3kp0 s TYR 157 Cb -0.13 -3.41 -0.02 0.00 0.35 0.00 0.00 41.96 38.75 3kp0 s TYR 157 CO 0.20 -1.23 -0.12 -1.58 -1.34 0.00 0.00 175.55 171.49 3kp0 s HIS 158 N 0.98 1.02 0.00 4.97 5.65 -0.12 -1.19 115.29 126.60 3kp0 s HIS 158 Ca 0.58 -0.34 0.00 0.00 0.25 0.00 0.00 55.06 55.55 3kp0 s HIS 158 Cb -0.29 -0.61 0.00 0.00 -1.18 0.00 0.00 32.58 30.50 3kp0 s HIS 158 CO 0.30 0.01 0.00 0.45 -0.65 0.00 0.00 174.74 174.84 3kp0 n SER 159 N 1.97 0.00 -4.49 9.88 2.88 -0.72 -1.21 113.62 121.94 3kp0 n SER 159 Ca -0.18 -0.09 -0.33 0.00 -1.33 0.00 0.00 58.87 56.94 3kp0 n SER 159 Cb 0.55 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.88 3kp0 n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kp0 s TYR 160 N -2.52 2.78 -0.40 0.66 2.02 -1.26 -2.10 117.35 116.53 3kp0 s TYR 160 Ca 0.00 -0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 3kp0 s TYR 160 Cb 0.00 -1.68 0.45 0.00 -0.40 0.00 0.00 41.96 40.33 3kp0 s TYR 160 CO 0.00 0.17 1.38 0.28 -1.57 0.00 0.00 175.55 175.81 3kp0 n VAL 161 N 2.45 2.77 -1.63 0.71 0.31 -0.76 -4.91 118.33 117.26 3kp0 n VAL 161 Ca -0.17 -4.03 0.00 0.00 -0.01 0.00 0.00 64.34 60.13 3kp0 n VAL 161 Cb 0.52 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 3kp0 n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kp0 n SER 162 N -0.73 0.00 0.00 4.52 7.64 -1.26 -4.62 113.62 119.17 3kp0 n SER 162 Ca 0.48 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.27 3kp0 n SER 162 Cb 0.86 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 3kp0 n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kp0 n GLY 163 N 5.00 -0.45 0.00 0.23 0.00 -1.26 -3.25 105.19 105.46 3kp0 n GLY 163 Ca 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.34 3kp0 n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kp0 n VAL 164 N -0.48 0.00 -2.76 1.61 0.24 -0.53 -3.15 118.33 113.26 3kp0 n VAL 164 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 3kp0 n VAL 164 Cb 0.00 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 3kp0 n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kp0 n ALA 165 N -0.93 3.56 0.46 2.33 0.00 -1.25 -4.80 120.51 119.89 3kp0 n ALA 165 Ca 0.16 -3.57 -0.18 0.00 0.00 0.00 0.00 53.44 49.85 3kp0 n ALA 165 Cb 0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 3kp0 n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kp0 h GLY 166 N 2.91 -1.24 -0.59 0.00 0.00 -1.52 -2.90 103.07 99.74 3kp0 h GLY 166 Ca 0.04 0.46 0.25 0.00 0.00 0.00 0.00 47.33 48.08 3kp0 h GLY 166 CO 0.60 -0.45 0.19 -2.55 0.00 0.00 0.00 176.54 174.33 3kp0 h PRO 167 N -1.32 0.14 -0.15 4.80 0.11 -1.87 0.12 132.00 133.83 3kp0 h PRO 167 Ca -0.12 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.00 3kp0 h PRO 167 Cb 0.91 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 3kp0 h PRO 167 CO 0.20 0.09 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.27 3kp0 h ASP 168 N 0.14 -1.19 0.50 -2.05 3.32 -1.94 -2.81 116.42 112.41 3kp0 h ASP 168 Ca 0.57 0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.71 3kp0 h ASP 168 Cb 1.18 0.47 -0.01 0.00 0.22 0.00 0.00 39.33 41.19 3kp0 h ASP 168 CO -0.72 -0.31 -0.24 0.40 -1.72 0.00 0.00 179.24 176.65 3kp0 h ILE 169 N -0.35 0.83 0.04 0.35 2.04 -0.95 -2.87 117.51 116.60 3kp0 h ILE 169 Ca 0.03 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3kp0 h ILE 169 Cb 0.44 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 3kp0 h ILE 169 CO -0.33 0.24 -0.21 0.00 0.00 0.00 0.00 178.15 177.85 3kp0 h ALA 170 N 1.76 -0.30 -0.00 1.87 0.00 -0.60 0.21 119.26 122.19 3kp0 h ALA 170 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kp0 h ALA 170 Cb 0.56 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kp0 h ALA 170 CO 0.03 -0.72 -0.01 0.28 0.00 0.00 0.00 179.25 178.83 3kp0 h VAL 171 N -0.36 0.00 -1.07 0.00 2.07 -1.28 0.29 116.25 115.91 3kp0 h VAL 171 Ca 0.05 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.89 3kp0 h VAL 171 Cb 0.42 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.06 3kp0 h VAL 171 CO -0.17 0.00 0.65 -0.03 0.02 0.00 0.00 177.57 178.04 3kp0 h MET 172 N -0.01 0.32 -0.51 1.57 -1.53 -1.46 1.19 114.93 114.49 3kp0 h MET 172 Ca 0.00 -0.02 -0.10 0.00 -3.44 0.00 0.00 59.70 56.15 3kp0 h MET 172 Cb 0.02 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 3kp0 h MET 172 CO -0.01 0.21 -0.05 0.74 0.14 0.00 0.00 176.91 177.93 3kp0 h PHE 173 N 0.33 1.04 -0.27 1.39 -1.00 -0.20 -2.12 116.94 116.10 3kp0 h PHE 173 Ca 0.71 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 61.28 3kp0 h PHE 173 Cb 1.75 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 41.04 3kp0 h PHE 173 CO -0.01 0.97 0.13 0.00 -1.61 0.00 0.00 178.31 177.80 3kp0 h ALA 174 N 0.92 0.35 -0.53 2.45 0.00 0.50 -2.45 119.26 120.51 3kp0 h ALA 174 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kp0 h ALA 174 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3kp0 h ALA 174 CO 0.04 -0.08 0.29 0.93 0.00 0.00 0.00 179.25 180.43 3kp0 h GLU 175 N 0.31 0.73 -0.64 0.00 5.08 -0.50 -3.25 114.58 116.32 3kp0 h GLU 175 Ca 0.09 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kp0 h GLU 175 Cb 0.13 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kp0 h GLU 175 CO -0.01 0.56 0.00 0.39 -1.00 0.00 0.00 179.01 178.95 3kp0 n GLU 176 N -4.64 3.39 -2.87 2.33 -0.58 -0.80 -4.82 120.64 112.65 3kp0 n GLU 176 Ca 0.03 -2.39 -0.19 0.00 -0.42 0.00 0.00 57.16 54.18 3kp0 n GLU 176 Cb 0.08 -1.83 0.03 0.00 -0.57 0.00 0.00 31.44 29.14 3kp0 n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kp0 n GLY 177 N 0.93 -0.37 3.68 0.62 0.00 -1.01 -4.69 105.19 104.35 3kp0 n GLY 177 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3kp0 n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp0 s VAL 178 N -3.08 3.44 0.13 1.61 1.01 -0.95 -4.76 120.40 117.79 3kp0 s VAL 178 Ca 0.24 0.73 0.09 0.00 0.00 0.00 0.00 61.98 63.05 3kp0 s VAL 178 Cb -0.11 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.67 3kp0 s VAL 178 CO 0.30 -0.03 1.39 0.78 0.00 0.00 0.00 175.10 177.54 3kp0 h ASN 179 N 8.70 0.00 -5.03 3.32 4.21 -1.43 -3.44 115.58 121.92 3kp0 h ASN 179 Ca -0.40 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.00 3kp0 h ASN 179 Cb 1.18 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 38.20 3kp0 h ASN 179 CO 0.93 0.84 -0.30 -0.83 -1.29 0.00 0.00 177.43 176.78 3kp0 s GLY 180 N -4.62 -0.09 -0.02 2.83 0.00 -0.70 -2.44 107.32 102.28 3kp0 s GLY 180 Ca 0.01 0.07 -0.21 0.00 0.00 0.00 0.00 44.72 44.59 3kp0 s GLY 180 CO 0.79 -0.13 0.46 0.00 0.00 0.00 0.00 173.10 174.23 3kp0 s ALA 181 N -1.97 -1.18 0.26 3.20 0.00 -0.64 -1.75 121.76 119.68 3kp0 s ALA 181 Ca -0.09 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3kp0 s ALA 181 Cb -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 3kp0 s ALA 181 CO 0.00 -0.33 1.24 -1.01 0.00 0.00 0.00 175.76 175.67 3kp0 s HIS 182 N -1.44 3.29 -0.29 0.00 3.76 -0.89 -2.06 115.29 117.66 3kp0 s HIS 182 Ca -0.12 1.43 0.02 0.00 -0.15 0.00 0.00 55.06 56.24 3kp0 s HIS 182 Cb -0.03 -3.53 0.18 0.00 1.11 0.00 0.00 32.58 30.31 3kp0 s HIS 182 CO 0.05 -1.47 0.53 -1.14 -0.85 0.00 0.00 174.74 171.86 3kp0 s GLN 183 N -1.01 0.50 -0.29 1.40 -0.44 -0.77 -1.83 119.66 117.22 3kp0 s GLN 183 Ca 0.51 0.61 0.02 0.00 -2.50 0.00 0.00 55.36 54.00 3kp0 s GLN 183 Cb -0.36 0.13 0.17 0.00 -1.64 0.00 0.00 33.01 31.31 3kp0 s GLN 183 CO 0.44 -0.85 0.45 0.34 0.50 0.00 0.00 175.29 176.16 3kp0 s ASP 184 N 2.74 -0.10 0.07 6.67 -1.08 -1.26 -4.68 116.67 119.03 3kp0 s ASP 184 Ca 0.14 -0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.06 3kp0 s ASP 184 Cb -0.13 1.33 0.26 0.00 -1.46 0.00 0.00 42.92 42.92 3kp0 s ASP 184 CO -0.24 -0.33 1.13 -0.81 0.52 0.00 0.00 175.17 175.44 3kp0 n PRO 185 N 5.37 0.03 0.19 4.34 -0.04 -1.26 -0.35 135.00 143.28 3kp0 n PRO 185 Ca 0.01 0.52 0.05 0.00 -0.04 0.00 0.00 63.50 64.04 3kp0 n PRO 185 Cb 0.50 -1.62 0.35 0.00 -0.04 0.00 0.00 33.50 32.69 3kp0 n PRO 185 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3kp0 h GLN 186 N 0.00 0.00 -0.40 0.54 4.20 -1.95 -3.11 115.11 114.39 3kp0 h GLN 186 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3kp0 h GLN 186 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3kp0 h GLN 186 CO 0.00 0.38 0.14 -0.92 -0.67 0.00 0.00 178.83 177.76 3kp0 h TYR 187 N 0.00 0.62 -0.59 2.96 3.20 -1.00 -1.84 116.97 120.32 3kp0 h TYR 187 Ca -0.00 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.86 3kp0 h TYR 187 Cb 0.87 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 3kp0 h TYR 187 CO 0.00 0.57 0.32 -0.91 -1.64 0.00 0.00 178.16 176.50 3kp0 h ASN 188 N 0.50 0.48 0.39 -2.11 4.21 -1.68 -1.44 115.58 115.92 3kp0 h ASN 188 Ca 0.13 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.65 3kp0 h ASN 188 Cb 0.22 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3kp0 h ASN 188 CO -0.01 0.32 -0.19 0.58 -1.29 0.00 0.00 177.43 176.85 3kp0 h VAL 189 N 0.61 0.00 -0.41 2.81 2.07 -1.54 0.82 116.25 120.60 3kp0 h VAL 189 Ca 0.26 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3kp0 h VAL 189 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3kp0 h VAL 189 CO -0.16 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.36 3kp0 h LEU 190 N -0.95 0.71 0.00 2.57 3.38 -1.34 -2.15 115.31 117.53 3kp0 h LEU 190 Ca -0.05 -0.30 -0.34 0.00 0.09 0.00 0.00 57.88 57.27 3kp0 h LEU 190 Cb 0.40 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3kp0 h LEU 190 CO 0.09 0.84 -2.29 -1.22 0.09 0.00 0.00 178.44 175.95 3kp0 n TYR 191 N -4.43 0.00 0.82 1.13 4.01 -0.55 -4.52 117.16 113.62 3kp0 n TYR 191 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 3kp0 n TYR 191 Cb 0.29 -0.91 0.03 0.00 -0.31 0.00 0.00 39.34 38.44 3kp0 n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kp0 n ARG 192 N -2.80 1.60 -3.65 -0.72 5.12 -1.07 -4.98 116.66 110.16 3kp0 n ARG 192 Ca -0.33 -1.22 -0.27 0.00 -1.93 0.00 0.00 57.85 54.10 3kp0 n ARG 192 Cb 1.07 -1.36 0.01 0.00 -1.16 0.00 0.00 32.46 31.02 3kp0 n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kp0 n ASN 193 N 0.42 -4.51 -4.81 0.55 5.15 -0.16 -4.89 115.26 107.01 3kp0 n ASN 193 Ca 0.09 -0.61 -0.33 0.00 -0.60 0.00 0.00 54.58 53.13 3kp0 n ASN 193 Cb 0.43 -3.65 -0.02 0.00 -0.53 0.00 0.00 39.78 36.02 3kp0 n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kp0 s ILE 194 N -3.16 3.91 0.27 -1.44 1.01 0.10 -1.73 121.20 120.16 3kp0 s ILE 194 Ca 0.54 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 61.92 3kp0 s ILE 194 Cb -0.28 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 3kp0 s ILE 194 CO 0.67 -0.42 1.21 0.21 0.00 0.00 0.00 174.94 176.61 3kp0 s ASN 195 N -2.48 7.02 0.20 3.58 3.04 -1.00 -4.21 114.94 121.09 3kp0 s ASN 195 Ca 0.64 2.42 -0.03 0.00 0.04 0.00 0.00 52.86 55.94 3kp0 s ASN 195 Cb -0.15 -2.63 0.15 0.00 -1.54 0.00 0.00 41.25 37.08 3kp0 s ASN 195 CO 0.29 -0.36 1.55 0.00 -3.04 0.00 0.00 177.10 175.54 3kp0 h MET 196 N 4.10 0.61 -0.57 0.43 -0.00 -1.83 0.28 114.93 117.95 3kp0 h MET 196 Ca -0.47 -0.33 -0.10 0.00 -0.00 0.00 0.00 59.70 58.80 3kp0 h MET 196 Cb 1.22 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.81 3kp0 h MET 196 CO 0.69 0.93 -0.06 0.82 -0.00 0.00 0.00 176.91 179.29 3kp0 h ILE 197 N 0.49 1.27 0.02 -0.10 2.04 -1.92 -1.99 117.51 117.31 3kp0 h ILE 197 Ca 0.03 -1.21 -0.21 0.00 1.00 0.00 0.00 64.86 64.48 3kp0 h ILE 197 Cb 0.97 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3kp0 h ILE 197 CO 0.09 0.43 -0.99 -0.09 0.00 0.00 0.00 178.15 177.59 3kp0 h ARG 198 N 0.93 0.08 -0.37 2.37 1.12 -1.85 -2.51 114.38 114.14 3kp0 h ARG 198 Ca 0.16 -0.11 -0.06 0.00 -1.11 0.00 0.00 59.98 58.85 3kp0 h ARG 198 Cb 0.61 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.60 3kp0 h ARG 198 CO 0.04 0.99 0.00 1.03 -3.11 0.00 0.00 179.97 178.93 3kp0 h SER 199 N 0.03 0.65 0.55 -3.80 0.87 -0.77 -1.77 113.55 109.31 3kp0 h SER 199 Ca -0.04 -0.30 -0.29 0.00 -1.23 0.00 0.00 61.79 59.93 3kp0 h SER 199 Cb 1.70 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.49 3kp0 h SER 199 CO 0.14 0.79 -1.34 -0.26 -0.53 0.00 0.00 176.83 175.63 3kp0 h PHE 200 N 0.48 0.53 -0.14 2.24 -1.00 -1.45 -2.41 116.94 115.20 3kp0 h PHE 200 Ca 0.11 -0.39 -0.03 0.00 2.81 0.00 0.00 57.97 60.47 3kp0 h PHE 200 Cb 0.46 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 3kp0 h PHE 200 CO 0.04 1.33 -0.05 0.82 -1.61 0.00 0.00 178.31 178.84 3kp0 h ILE 201 N 0.08 1.12 -0.15 -0.55 2.04 -1.49 -2.83 117.51 115.73 3kp0 h ILE 201 Ca -0.17 -0.50 -0.20 0.00 1.00 0.00 0.00 64.86 64.99 3kp0 h ILE 201 Cb 2.00 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3kp0 h ILE 201 CO 0.20 0.16 -0.71 0.44 0.00 0.00 0.00 178.15 178.24 3kp0 h ASP 202 N 0.19 0.75 0.33 1.72 3.32 -1.28 -3.24 116.42 118.22 3kp0 h ASP 202 Ca 0.05 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3kp0 h ASP 202 Cb 0.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kp0 h ASP 202 CO 0.01 1.24 -0.21 0.00 -1.72 0.00 0.00 179.24 178.56 3kp0 h ALA 203 N 0.75 1.43 -0.20 3.45 0.00 -1.18 -1.48 119.26 122.03 3kp0 h ALA 203 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kp0 h ALA 203 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3kp0 h ALA 203 CO 0.14 0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.71 3kp0 h GLU 205 N 0.15 -0.78 -0.67 0.00 4.57 -1.61 -1.82 114.58 114.43 3kp0 h GLU 205 Ca 0.09 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.43 3kp0 h GLU 205 Cb 0.06 0.18 -0.11 0.00 -0.16 0.00 0.00 28.75 28.71 3kp0 h GLU 205 CO -0.09 -0.52 -0.24 0.43 -1.18 0.00 0.00 179.01 177.41 3kp0 n SER 206 N -5.11 -0.38 0.06 1.04 7.64 -0.59 -0.16 113.62 116.11 3kp0 n SER 206 Ca -0.10 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 60.87 3kp0 n SER 206 Cb 0.32 -0.29 0.10 0.00 -1.01 0.00 0.00 64.21 63.33 3kp0 n SER 206 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3kp0 h LYS 207 N 0.00 0.35 0.16 1.43 1.57 -0.49 -1.87 116.57 117.72 3kp0 h LYS 207 Ca 0.25 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3kp0 h LYS 207 Cb 0.42 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kp0 h LYS 207 CO -0.67 0.84 -0.08 1.15 -0.57 0.00 0.00 179.45 180.12 3kp0 h THR 208 N 0.27 0.97 -0.88 -0.16 2.02 0.35 0.71 112.91 116.19 3kp0 h THR 208 Ca -0.00 -0.67 0.19 0.00 0.77 0.00 0.00 66.41 66.71 3kp0 h THR 208 Cb 1.10 1.37 -0.11 0.00 -1.74 0.00 0.00 68.15 68.77 3kp0 h THR 208 CO 0.10 0.15 0.41 0.40 0.37 0.00 0.00 175.52 176.95 3kp0 h ILE 209 N -0.54 0.57 -0.34 3.11 2.04 -1.23 0.49 117.51 121.61 3kp0 h ILE 209 Ca -0.02 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3kp0 h ILE 209 Cb 0.41 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3kp0 h ILE 209 CO 0.04 0.09 -0.14 0.24 0.00 0.00 0.00 178.15 178.37 3kp0 h MET 210 N 0.48 0.61 -0.02 2.37 2.86 -1.01 -2.44 114.93 117.79 3kp0 h MET 210 Ca 0.53 -0.20 -0.17 0.00 -2.06 0.00 0.00 59.70 57.80 3kp0 h MET 210 Cb 0.92 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3kp0 h MET 210 CO -0.47 0.74 -0.77 0.00 1.06 0.00 0.00 176.91 177.47 3kp0 h ALA 211 N 1.29 0.67 -0.40 6.32 0.00 0.91 -2.52 119.26 125.53 3kp0 h ALA 211 Ca 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3kp0 h ALA 211 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3kp0 h ALA 211 CO 0.04 0.86 0.23 2.35 0.00 0.00 0.00 179.25 182.73 3kp0 h TRP 212 N 0.10 0.54 0.00 0.00 7.01 -0.84 -2.67 115.95 120.09 3kp0 h TRP 212 Ca -0.03 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.97 3kp0 h TRP 212 Cb 1.35 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 3kp0 h TRP 212 CO 0.02 0.40 0.00 0.00 -2.79 0.00 0.00 178.44 176.07 3kp0 n ALA 213 N -2.24 2.27 -1.61 2.65 0.00 -0.93 -4.85 120.51 115.79 3kp0 n ALA 213 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 3kp0 n ALA 213 Cb 0.07 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 3kp0 n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kp0 n ASP 214 N -1.01 -5.09 -4.80 0.00 2.03 -1.01 -3.50 116.55 103.17 3kp0 n ASP 214 Ca 0.15 0.37 -0.32 0.00 0.52 0.00 0.00 54.79 55.51 3kp0 n ASP 214 Cb 0.08 -4.12 0.03 0.00 -0.72 0.00 0.00 41.12 36.38 3kp0 n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kp0 s MET 215 N -3.65 3.07 0.12 -0.67 -1.94 -0.96 -2.90 119.30 112.36 3kp0 s MET 215 Ca 0.00 1.15 -0.14 0.00 -1.71 0.00 0.00 55.69 54.99 3kp0 s MET 215 Cb 0.00 -2.00 -0.07 0.00 2.01 0.00 0.00 34.83 34.77 3kp0 s MET 215 CO 0.00 -1.01 0.51 0.00 -0.01 0.00 0.00 175.02 174.51 3kp0 s ALA 216 N -2.65 3.62 -0.14 3.03 0.00 -1.02 -4.84 121.76 119.76 3kp0 s ALA 216 Ca 0.62 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3kp0 s ALA 216 Cb -0.16 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.50 3kp0 s ALA 216 CO 0.44 0.48 -0.22 -1.14 0.00 0.00 0.00 175.76 175.32 3kp0 s GLN 217 N -1.81 3.02 -0.08 0.00 0.74 -0.15 -1.61 119.66 119.75 3kp0 s GLN 217 Ca 0.35 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.92 3kp0 s GLN 217 Cb -0.15 -2.44 -0.03 0.00 1.10 0.00 0.00 33.01 31.49 3kp0 s GLN 217 CO 0.18 -0.02 -0.09 0.42 -0.55 0.00 0.00 175.29 175.23 3kp0 s ILE 218 N 0.83 3.45 0.45 -2.34 1.01 -0.87 0.72 121.20 124.44 3kp0 s ILE 218 Ca -0.07 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.06 3kp0 s ILE 218 Cb -0.15 -2.41 0.08 0.00 0.01 0.00 0.00 42.46 39.99 3kp0 s ILE 218 CO -0.02 0.57 0.62 -0.90 0.00 0.00 0.00 174.94 175.21 3kp0 n ASP 219 N 2.59 1.19 -2.88 3.58 5.68 -1.02 -1.85 116.55 123.84 3kp0 n ASP 219 Ca -0.18 -1.92 -0.19 0.00 -0.50 0.00 0.00 54.79 52.01 3kp0 n ASP 219 Cb 0.53 -0.37 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 3kp0 n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kp0 n GLY 223 N -0.06 3.85 0.11 6.12 0.00 -1.26 -4.47 105.19 109.48 3kp0 n GLY 223 Ca 0.11 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 3kp0 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp0 h ALA 224 N 2.93 0.30 -0.18 4.61 0.00 -1.90 -3.32 119.26 121.70 3kp0 h ALA 224 Ca 0.08 -1.10 0.05 0.00 0.00 0.00 0.00 54.91 53.94 3kp0 h ALA 224 Cb 0.92 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kp0 h ALA 224 CO 0.62 1.17 0.24 1.12 0.00 0.00 0.00 179.25 182.40 3kp0 h HIS 225 N 0.06 0.00 -0.96 0.00 2.07 -1.86 -1.03 115.15 113.43 3kp0 h HIS 225 Ca -0.22 0.00 0.13 0.00 -2.85 0.00 0.00 60.37 57.43 3kp0 h HIS 225 Cb 1.99 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.88 3kp0 h HIS 225 CO 0.05 0.00 0.58 -0.91 -3.07 0.00 0.00 177.93 174.59 3kp0 h ASN 226 N 0.00 0.82 0.29 3.10 2.35 -1.91 0.26 115.58 120.49 3kp0 h ASN 226 Ca 0.09 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3kp0 h ASN 226 Cb 0.57 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3kp0 h ASN 226 CO -0.00 0.40 0.00 0.00 -1.65 0.00 0.00 177.43 176.18 3kp0 n ALA 227 N -2.36 1.35 0.14 -0.83 0.00 -0.39 -1.79 120.51 116.63 3kp0 n ALA 227 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3kp0 n ALA 227 Cb 0.39 -1.18 0.29 0.00 0.00 0.00 0.00 19.45 18.95 3kp0 n ALA 227 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kp0 h ASN 228 N 0.00 0.12 0.00 0.00 4.21 -0.60 -3.37 115.58 115.95 3kp0 h ASN 228 Ca 0.00 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.46 3kp0 h ASN 228 Cb 0.15 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 3kp0 h ASN 228 CO 0.00 0.50 -0.52 0.00 -1.29 0.00 0.00 177.43 176.12 3kp0 n ALA 229 N -2.47 0.46 0.00 -0.83 0.00 -0.74 -4.28 120.51 112.65 3kp0 n ALA 229 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3kp0 n ALA 229 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3kp0 n ALA 229 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kp0 n THR 230 N -3.68 0.00 -3.68 0.00 -2.24 -1.21 -4.60 114.28 98.87 3kp0 n THR 230 Ca -0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 3kp0 n THR 230 Cb 0.27 -0.51 -0.18 0.00 -2.10 0.00 0.00 70.33 67.81 3kp0 n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kp0 s ALA 231 N 1.01 0.26 0.00 6.98 0.00 -1.26 -5.02 121.76 123.73 3kp0 s ALA 231 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3kp0 s ALA 231 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3kp0 s ALA 231 CO 0.00 -0.47 0.85 0.54 0.00 0.00 0.00 175.76 176.68 3kp0 n ARG 232 N 5.23 0.00 -3.29 0.00 5.12 -1.26 -3.47 116.66 119.00 3kp0 n ARG 232 Ca -0.05 0.80 -0.36 0.00 -1.93 0.00 0.00 57.85 56.31 3kp0 n ARG 232 Cb 0.50 -1.35 -0.04 0.00 -1.16 0.00 0.00 32.46 30.41 3kp0 n ARG 232 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kp0 n GLU 233 N -2.32 3.42 -0.07 5.56 1.02 -1.26 -4.98 120.64 122.01 3kp0 n GLU 233 Ca 0.00 -4.58 0.13 0.00 -0.02 0.00 0.00 57.16 52.69 3kp0 n GLU 233 Cb 0.00 -2.41 0.20 0.00 -0.02 0.00 0.00 31.44 29.21 3kp0 n GLU 233 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kp0 n ALA 234 N 1.40 0.45 0.25 0.62 0.00 -1.23 -1.21 120.51 120.79 3kp0 n ALA 234 Ca 0.26 0.16 0.15 0.00 0.00 0.00 0.00 53.44 54.01 3kp0 n ALA 234 Cb 0.37 -0.27 0.50 0.00 0.00 0.00 0.00 19.45 20.05 3kp0 n ALA 234 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3kp0 h TRP 235 N 0.00 0.00 -0.00 0.00 0.09 -1.94 -2.97 115.95 111.13 3kp0 h TRP 235 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.20 3kp0 h TRP 235 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.77 3kp0 h TRP 235 CO 0.00 0.03 -0.04 1.63 0.09 0.00 0.00 178.44 180.15 3kp0 n LYS 236 N -3.12 0.75 -0.10 0.12 5.02 -0.35 -3.75 118.16 116.72 3kp0 n LYS 236 Ca 0.02 -0.15 0.10 0.00 -2.02 0.00 0.00 58.31 56.26 3kp0 n LYS 236 Cb 0.39 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.25 3kp0 n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kp0 n VAL 237 N -0.99 0.25 0.08 -0.18 3.14 -1.12 -4.01 118.33 115.50 3kp0 n VAL 237 Ca 0.17 -0.39 -0.04 0.00 -2.96 0.00 0.00 64.34 61.12 3kp0 n VAL 237 Cb 0.23 0.42 0.17 0.00 -1.06 0.00 0.00 33.84 33.59 3kp0 n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kp0 h MET 238 N 2.40 0.26 -0.20 1.45 2.86 -1.78 -1.74 114.93 118.17 3kp0 h MET 238 Ca 0.00 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 3kp0 h MET 238 Cb 0.53 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 3kp0 h MET 238 CO 0.00 0.70 -0.35 -1.35 1.06 0.00 0.00 176.91 176.98 3kp0 h PRO 239 N 0.21 0.43 0.00 -0.22 0.11 -1.88 -3.15 132.00 127.50 3kp0 h PRO 239 Ca 0.01 -0.19 -0.16 0.00 0.11 0.00 0.00 66.00 65.77 3kp0 h PRO 239 Cb 0.96 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3kp0 h PRO 239 CO 0.08 0.72 -0.75 1.49 -0.21 0.00 0.00 178.00 179.33 3kp0 h GLU 240 N 0.37 0.00 0.08 1.05 4.81 -1.77 -2.79 114.58 116.33 3kp0 h GLU 240 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3kp0 h GLU 240 Cb 0.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3kp0 h GLU 240 CO 0.06 0.75 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.95 3kp0 h LEU 241 N 0.00 -0.20 -1.00 1.64 3.38 -1.36 0.11 115.31 117.89 3kp0 h LEU 241 Ca -0.01 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3kp0 h LEU 241 Cb 1.46 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.19 3kp0 h LEU 241 CO 0.10 -0.12 0.63 0.24 0.09 0.00 0.00 178.44 179.38 3kp0 h MET 242 N -0.17 0.99 -0.51 1.13 2.86 -1.52 0.31 114.93 118.03 3kp0 h MET 242 Ca 0.00 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 3kp0 h MET 242 Cb 0.16 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3kp0 h MET 242 CO -0.02 0.66 -0.04 0.28 1.06 0.00 0.00 176.91 178.84 3kp0 h VAL 243 N 1.02 1.27 -0.06 -2.22 2.07 -1.15 0.24 116.25 117.41 3kp0 h VAL 243 Ca 0.48 -1.16 -0.17 0.00 0.82 0.00 0.00 66.70 66.67 3kp0 h VAL 243 Cb 0.42 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3kp0 h VAL 243 CO -0.25 0.41 -0.71 1.56 0.02 0.00 0.00 177.57 178.60 3kp0 h GLN 244 N 0.79 0.32 -0.49 1.57 4.20 -0.02 -2.12 115.11 119.38 3kp0 h GLN 244 Ca 0.14 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 3kp0 h GLN 244 Cb 0.58 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3kp0 h GLN 244 CO 0.03 0.91 -0.01 0.45 -0.67 0.00 0.00 178.83 179.54 3kp0 h HIS 245 N 0.22 0.95 -0.23 2.96 3.86 -0.34 -3.16 115.15 119.41 3kp0 h HIS 245 Ca -0.02 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 58.95 3kp0 h HIS 245 Cb 1.28 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 3kp0 h HIS 245 CO 0.03 0.90 -0.13 0.00 0.86 0.00 0.00 177.93 179.60 3kp0 h ALA 246 N 0.93 0.33 0.53 2.45 0.00 -0.86 -2.47 119.26 120.16 3kp0 h ALA 246 Ca 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kp0 h ALA 246 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kp0 h ALA 246 CO 0.03 0.19 -0.36 -0.07 0.00 0.00 0.00 179.25 179.04 3kp0 h LEU 247 N 0.21 -0.92 -1.90 0.00 3.38 -1.44 -1.03 115.31 113.61 3kp0 h LEU 247 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kp0 h LEU 247 Cb 0.63 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kp0 h LEU 247 CO 0.04 -0.54 -0.03 -1.13 0.09 0.00 0.00 178.44 176.86 3kp0 h ASN 248 N -0.85 0.02 -0.01 -0.43 -1.24 -1.63 -1.36 115.58 110.08 3kp0 h ASN 248 Ca -0.06 -0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.88 3kp0 h ASN 248 Cb 0.71 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.76 3kp0 h ASN 248 CO 0.04 0.06 -0.26 0.28 -1.29 0.00 0.00 177.43 176.26 3kp0 h SER 249 N 0.03 0.24 0.19 1.15 0.02 -1.02 0.16 113.55 114.31 3kp0 h SER 249 Ca 0.01 -0.75 -0.12 0.00 -0.84 0.00 0.00 61.79 60.08 3kp0 h SER 249 Cb 0.07 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3kp0 h SER 249 CO 0.00 0.96 -0.46 -0.29 -1.14 0.00 0.00 176.83 175.90 3kp0 h ILE 250 N -0.46 1.33 0.79 3.27 6.09 -1.14 0.89 117.51 128.28 3kp0 h ILE 250 Ca -0.03 -1.65 -0.04 0.00 -1.37 0.00 0.00 64.86 61.77 3kp0 h ILE 250 Cb 0.99 1.73 0.01 0.00 0.47 0.00 0.00 36.82 40.02 3kp0 h ILE 250 CO 0.05 0.50 -0.38 0.15 -3.07 0.00 0.00 178.15 175.40 3kp0 h PHE 251 N 0.27 -0.99 -0.90 2.19 3.57 -1.29 -1.89 116.94 117.89 3kp0 h PHE 251 Ca 0.02 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.63 3kp0 h PHE 251 Cb 0.92 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 3kp0 h PHE 251 CO 0.02 -0.61 0.51 0.77 -2.23 0.00 0.00 178.31 176.77 3kp0 h SER 252 N -1.09 0.68 -0.19 0.41 0.02 -0.52 -1.69 113.55 111.17 3kp0 h SER 252 Ca -0.11 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3kp0 h SER 252 Cb 0.82 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 3kp0 h SER 252 CO 0.18 0.31 0.01 0.25 -1.14 0.00 0.00 176.83 176.44 3kp0 h LEU 253 N 0.75 -0.05 -0.62 5.07 5.85 -0.75 -2.57 115.31 122.99 3kp0 h LEU 253 Ca 0.48 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3kp0 h LEU 253 Cb 0.62 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3kp0 h LEU 253 CO -0.33 -0.00 0.00 0.11 -0.34 0.00 0.00 178.44 177.88 3kp0 h LYS 254 N 0.07 0.00 -0.47 1.25 1.57 -0.49 -2.78 116.57 115.73 3kp0 h LYS 254 Ca 0.09 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 3kp0 h LYS 254 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kp0 h LYS 254 CO -0.14 0.00 -0.25 0.28 -0.57 0.00 0.00 179.45 178.77 3kp0 h VAL 255 N 0.00 1.27 0.00 0.50 2.07 -0.97 -3.47 116.25 115.65 3kp0 h VAL 255 Ca 0.00 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3kp0 h VAL 255 Cb 0.60 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3kp0 h VAL 255 CO 0.00 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.69 3kp0 n GLY 256 N -0.07 0.25 3.77 2.17 0.00 -1.05 -4.94 105.19 105.32 3kp0 n GLY 256 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3kp0 n GLY 256 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kp0 s MET 257 N 0.00 4.03 0.39 1.61 0.00 -1.01 -4.98 119.30 119.33 3kp0 s MET 257 Ca 0.00 2.16 -0.25 0.00 0.00 0.00 0.00 55.69 57.60 3kp0 s MET 257 Cb 0.00 -2.80 -0.09 0.00 0.00 0.00 0.00 34.83 31.94 3kp0 s MET 257 CO 0.00 -0.45 1.12 0.15 0.00 0.00 0.00 175.02 175.84 3kp0 s LYS 258 N -2.18 4.15 0.40 4.11 1.02 -1.26 -4.45 119.74 121.53 3kp0 s LYS 258 Ca 0.56 1.72 0.09 0.00 0.02 0.00 0.00 55.97 58.35 3kp0 s LYS 258 Cb -0.38 -2.68 0.85 0.00 -0.52 0.00 0.00 37.83 35.10 3kp0 s LYS 258 CO 0.49 -0.20 1.97 -0.22 -0.92 0.00 0.00 175.35 176.47 3kp0 h LYS 259 N 2.70 0.31 0.00 1.68 3.64 -1.93 -1.63 116.57 121.33 3kp0 h LYS 259 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3kp0 h LYS 259 Cb 1.23 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kp0 h LYS 259 CO 0.63 0.34 0.00 -1.13 -2.27 0.00 0.00 179.45 177.02 3kp0 n SER 260 N -4.36 0.00 -0.46 4.20 3.41 -1.26 -2.74 113.62 112.41 3kp0 n SER 260 Ca 0.00 -0.27 0.05 0.00 -0.26 0.00 0.00 58.87 58.39 3kp0 n SER 260 Cb 0.19 -0.20 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 3kp0 n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kp0 n ASN 261 N -1.20 2.27 -4.41 4.04 3.02 -0.62 -4.83 115.26 113.53 3kp0 n ASN 261 Ca 0.14 -1.68 -0.43 0.00 -0.03 0.00 0.00 54.58 52.57 3kp0 n ASN 261 Cb 0.16 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 3kp0 n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kp0 s ILE 262 N -0.89 5.08 -0.17 2.41 1.01 -1.11 -0.98 121.20 126.55 3kp0 s ILE 262 Ca 0.15 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 3kp0 s ILE 262 Cb 0.09 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 3kp0 s ILE 262 CO 0.13 -0.40 0.04 0.00 0.00 0.00 0.00 174.94 174.71 3kp0 s LEU 264 N 0.26 4.56 -0.75 0.00 1.02 -0.06 -2.43 118.68 121.28 3kp0 s LEU 264 Ca 0.03 1.84 -0.13 0.00 0.02 0.00 0.00 54.13 55.89 3kp0 s LEU 264 Cb -0.13 -3.58 0.20 0.00 0.02 0.00 0.00 46.19 42.70 3kp0 s LEU 264 CO 0.01 0.03 0.67 -0.55 0.02 0.00 0.00 176.35 176.53 3kp0 s SER 265 N -0.50 6.44 -0.28 2.29 0.15 -1.26 -0.07 113.70 120.48 3kp0 s SER 265 Ca 0.44 -2.56 -0.01 0.00 0.70 0.00 0.00 55.95 54.52 3kp0 s SER 265 Cb -0.24 -2.16 0.05 0.00 -1.71 0.00 0.00 66.02 61.96 3kp0 s SER 265 CO 0.30 -0.59 -0.04 0.28 1.20 0.00 0.00 173.24 174.40 3kp0 s THR 266 N 0.37 2.77 -0.19 6.45 -1.32 0.39 -3.54 115.64 120.58 3kp0 s THR 266 Ca 0.15 -1.38 -0.06 0.00 -1.21 0.00 0.00 61.69 59.19 3kp0 s THR 266 Cb -0.15 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.25 3kp0 s THR 266 CO -0.06 -0.03 0.01 -0.69 -2.21 0.00 0.00 174.62 171.64 3kp0 s VAL 267 N 1.23 4.21 -0.17 5.08 1.01 -1.26 -2.56 120.40 127.93 3kp0 s VAL 267 Ca -0.05 -0.23 -0.36 0.00 0.00 0.00 0.00 61.98 61.34 3kp0 s VAL 267 Cb -0.19 -2.89 -0.13 0.00 0.00 0.00 0.00 36.38 33.17 3kp0 s VAL 267 CO -0.03 0.45 1.88 -2.65 0.00 0.00 0.00 175.10 174.75 3kp0 n PRO 268 N 3.91 1.80 0.29 2.72 -0.02 -1.26 -4.86 135.00 137.57 3kp0 n PRO 268 Ca -0.17 0.65 0.17 0.00 -2.02 0.00 0.00 63.50 62.13 3kp0 n PRO 268 Cb 0.52 -2.49 0.86 0.00 -0.02 0.00 0.00 33.50 32.36 3kp0 n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kp0 h PRO 269 N 9.08 0.00 -5.44 0.52 0.11 -1.91 -3.44 132.00 130.91 3kp0 h PRO 269 Ca -0.46 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 3kp0 h PRO 269 Cb 1.29 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.27 3kp0 h PRO 269 CO 0.96 0.05 -0.56 0.95 -0.21 0.00 0.00 178.00 179.19 3kp0 s THR 270 N -4.00 1.61 -0.05 -1.15 -4.23 -1.26 -4.66 115.64 101.90 3kp0 s THR 270 Ca -0.02 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.25 3kp0 s THR 270 Cb 0.12 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.40 3kp0 s THR 270 CO 0.52 0.00 0.53 0.00 -0.54 0.00 0.00 174.62 175.13 3kp0 s ALA 271 N -2.79 -1.36 0.65 3.99 0.00 -1.26 -4.91 121.76 116.08 3kp0 s ALA 271 Ca 0.21 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 3kp0 s ALA 271 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3kp0 s ALA 271 CO 0.11 -0.32 1.08 -2.30 0.00 0.00 0.00 175.76 174.33 3kp0 n PRO 272 N 1.17 0.87 -0.00 0.00 -0.02 -1.26 -2.72 135.00 133.03 3kp0 n PRO 272 Ca -0.20 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.69 3kp0 n PRO 272 Cb 0.57 -2.30 0.37 0.00 -0.02 0.00 0.00 33.50 32.11 3kp0 n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kp0 n PRO 273 N -1.53 1.03 -1.77 0.52 -0.05 -1.26 -5.09 135.00 126.86 3kp0 n PRO 273 Ca 0.15 -0.05 -0.35 0.00 -0.05 0.00 0.00 63.50 63.20 3kp0 n PRO 273 Cb 0.48 -1.20 0.06 0.00 -0.05 0.00 0.00 33.50 32.79 3kp0 n PRO 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3kp0 s ALA 274 N -1.99 2.38 -1.19 0.55 0.00 -1.10 -4.85 121.76 115.55 3kp0 s ALA 274 Ca 0.19 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 3kp0 s ALA 274 Cb 0.09 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 3kp0 s ALA 274 CO 0.15 -1.46 1.89 -2.14 0.00 0.00 0.00 175.76 174.19 3kp0 s PRO 275 N -3.60 2.83 0.19 0.00 0.02 -1.26 -4.73 135.00 128.45 3kp0 s PRO 275 Ca 0.76 -1.31 -0.02 0.00 0.02 0.00 0.00 61.00 60.45 3kp0 s PRO 275 Cb -0.30 -5.30 0.12 0.00 0.02 0.00 0.00 34.50 29.04 3kp0 s PRO 275 CO 0.39 -3.57 1.50 0.66 -0.33 0.00 0.00 177.00 175.65 3kp0 h SER 276 N 9.34 0.57 0.65 2.53 4.64 -1.89 -2.40 113.55 126.99 3kp0 h SER 276 Ca 0.26 -0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3kp0 h SER 276 Cb 0.93 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3kp0 h SER 276 CO 1.28 1.02 -0.45 0.24 -0.87 0.00 0.00 176.83 178.04 3kp0 h MET 277 N 0.38 -1.01 -0.95 4.77 2.86 -1.93 0.16 114.93 119.21 3kp0 h MET 277 Ca 0.00 0.07 0.29 0.00 -2.06 0.00 0.00 59.70 58.00 3kp0 h MET 277 Cb 1.12 0.23 -0.15 0.00 0.06 0.00 0.00 31.60 32.86 3kp0 h MET 277 CO 0.10 -0.67 0.41 -0.92 1.06 0.00 0.00 176.91 176.89 3kp0 h TYR 278 N -1.05 0.65 -0.10 -0.22 3.20 -1.94 -0.45 116.97 117.06 3kp0 h TYR 278 Ca -0.09 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.67 3kp0 h TYR 278 Cb 0.86 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 39.00 3kp0 h TYR 278 CO -0.13 -0.21 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.57 3kp0 h LEU 279 N 0.26 0.65 0.00 2.82 3.38 -1.08 -3.38 115.31 117.96 3kp0 h LEU 279 Ca 0.66 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kp0 h LEU 279 Cb 1.43 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3kp0 h LEU 279 CO -0.64 1.19 -0.61 0.47 0.09 0.00 0.00 178.44 178.94 3kp0 n ASP 280 N -4.20 0.66 0.14 -0.43 8.00 0.54 -4.24 116.55 117.02 3kp0 n ASP 280 Ca -0.08 0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.24 3kp0 n ASP 280 Cb 0.62 0.18 -0.16 0.00 -0.02 0.00 0.00 41.12 41.75 3kp0 n ASP 280 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kp0 h LEU 281 N 0.00 0.82 -1.06 0.64 5.85 -1.37 -2.13 115.31 118.06 3kp0 h LEU 281 Ca 0.00 -0.90 -0.04 0.00 0.84 0.00 0.00 57.88 57.79 3kp0 h LEU 281 Cb 0.71 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3kp0 h LEU 281 CO 0.00 1.70 0.23 -0.65 -0.34 0.00 0.00 178.44 179.39 3kp0 h PRO 282 N 0.14 0.90 -0.49 5.25 0.11 -1.76 -0.92 132.00 135.24 3kp0 h PRO 282 Ca -0.26 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kp0 h PRO 282 Cb 2.16 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 33.10 3kp0 h PRO 282 CO 0.27 0.75 0.32 -0.92 -0.21 0.00 0.00 178.00 178.21 3kp0 h TYR 283 N 0.89 0.61 -0.59 0.65 3.20 -1.73 0.30 116.97 120.30 3kp0 h TYR 283 Ca 0.21 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.11 3kp0 h TYR 283 Cb 0.19 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3kp0 h TYR 283 CO 0.01 0.39 0.37 0.00 -1.64 0.00 0.00 178.16 177.30 3kp0 h ALA 284 N 1.18 0.75 -0.02 1.82 0.00 -0.78 -0.16 119.26 122.05 3kp0 h ALA 284 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kp0 h ALA 284 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3kp0 h ALA 284 CO -0.04 0.14 -0.01 0.28 0.00 0.00 0.00 179.25 179.62 3kp0 h VAL 285 N 0.75 1.32 -0.27 0.00 2.07 -0.94 -2.54 116.25 116.64 3kp0 h VAL 285 Ca 0.23 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3kp0 h VAL 285 Cb -0.03 1.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 3kp0 h VAL 285 CO -0.07 0.25 -0.39 0.00 0.02 0.00 0.00 177.57 177.38 3kp0 h ALA 286 N 0.61 -0.42 -0.74 1.67 0.00 -0.18 -0.69 119.26 119.52 3kp0 h ALA 286 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3kp0 h ALA 286 Cb 0.41 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 3kp0 h ALA 286 CO 0.00 -0.84 0.37 1.25 0.00 0.00 0.00 179.25 180.03 3kp0 h LEU 287 N -0.38 0.49 -0.57 0.00 5.85 -1.07 -0.33 115.31 119.30 3kp0 h LEU 287 Ca 0.12 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3kp0 h LEU 287 Cb 0.58 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3kp0 h LEU 287 CO -0.48 0.27 -0.65 0.03 -0.34 0.00 0.00 178.44 177.28 3kp0 h ARG 288 N 0.62 0.00 -0.23 1.25 3.08 -0.97 -1.33 114.38 116.80 3kp0 h ARG 288 Ca 0.37 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.27 3kp0 h ARG 288 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kp0 h ARG 288 CO -0.28 0.65 -0.44 0.93 -1.07 0.00 0.00 179.97 179.76 3kp0 h GLU 289 N 0.00 0.70 0.00 0.04 5.08 -0.74 -3.27 114.58 116.40 3kp0 h GLU 289 Ca -0.01 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3kp0 h GLU 289 Cb 1.23 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3kp0 h GLU 289 CO 0.08 1.07 0.00 1.98 -1.00 0.00 0.00 179.01 181.15 3kp0 h MET 290 N 0.42 0.00 -1.17 2.33 4.05 -0.86 -3.32 114.93 116.38 3kp0 h MET 290 Ca 0.01 0.00 -0.53 0.00 -0.28 0.00 0.00 59.70 58.90 3kp0 h MET 290 Cb 1.05 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 31.43 3kp0 h MET 290 CO 0.10 0.00 -0.83 1.19 0.23 0.00 0.00 176.91 177.59 3kp0 n PHE 291 N -2.65 2.83 -2.05 1.39 3.72 -0.52 -5.08 117.46 115.10 3kp0 n PHE 291 Ca 0.04 -2.76 -0.41 0.00 -0.05 0.00 0.00 57.45 54.27 3kp0 n PHE 291 Cb 0.40 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3kp0 n PHE 291 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kp0 s GLU 292 N -3.53 4.30 0.00 -1.08 2.02 -1.23 -2.47 118.70 116.71 3kp0 s GLU 292 Ca 0.45 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.71 3kp0 s GLU 292 Cb 0.40 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.54 3kp0 s GLU 292 CO -0.09 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.28 3kp0 n GLY 293 N 1.53 1.13 3.92 -1.39 0.00 -1.26 -5.04 105.19 104.08 3kp0 n GLY 293 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3kp0 n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kp0 s TYR 294 N -2.67 3.48 0.42 1.61 2.02 -1.03 -4.15 117.35 117.03 3kp0 s TYR 294 Ca 0.00 0.35 -0.22 0.00 -0.37 0.00 0.00 57.07 56.83 3kp0 s TYR 294 Cb 0.00 -1.86 -0.11 0.00 -0.40 0.00 0.00 41.96 39.60 3kp0 s TYR 294 CO 0.00 0.41 0.95 1.03 -1.57 0.00 0.00 175.55 176.38 3kp0 s ARG 295 N -3.16 4.26 -0.34 -0.62 1.81 -0.46 -4.97 118.95 115.47 3kp0 s ARG 295 Ca 0.38 1.16 -0.05 0.00 -1.72 0.00 0.00 55.73 55.50 3kp0 s ARG 295 Cb -0.11 -2.26 0.05 0.00 -0.45 0.00 0.00 34.95 32.17 3kp0 s ARG 295 CO 0.28 -0.01 0.09 -1.64 -0.68 0.00 0.00 175.30 173.35 3kp0 s MET 296 N -3.02 2.55 -0.48 3.54 -1.94 -1.26 -0.89 119.30 117.80 3kp0 s MET 296 Ca 0.61 -1.24 -0.13 0.00 -1.71 0.00 0.00 55.69 53.21 3kp0 s MET 296 Cb -0.11 -3.42 0.10 0.00 2.01 0.00 0.00 34.83 33.41 3kp0 s MET 296 CO 0.15 -0.69 0.39 0.50 -0.01 0.00 0.00 175.02 175.36 3kp0 s ARG 297 N 1.36 2.81 0.05 2.03 3.00 0.90 -0.72 118.95 128.39 3kp0 s ARG 297 Ca -0.02 -1.54 -0.30 0.00 -1.00 0.00 0.00 55.73 52.87 3kp0 s ARG 297 Cb -0.20 -4.07 -0.04 0.00 0.00 0.00 0.00 34.95 30.64 3kp0 s ARG 297 CO 0.02 -1.12 1.02 0.00 0.00 0.00 0.00 175.30 175.21 3kp0 s ALA 298 N 1.53 3.24 0.33 6.12 0.00 -0.47 -0.46 121.76 132.05 3kp0 s ALA 298 Ca 0.04 0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.70 3kp0 s ALA 298 Cb -0.26 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3kp0 s ALA 298 CO 0.03 -0.21 0.11 -1.14 0.00 0.00 0.00 175.76 174.56 3kp0 s GLN 299 N 0.65 2.36 0.40 0.00 2.00 -1.06 -1.38 119.66 122.63 3kp0 s GLN 299 Ca 0.52 -1.53 0.05 0.00 -2.00 0.00 0.00 55.36 52.40 3kp0 s GLN 299 Cb -0.24 -2.17 0.00 0.00 0.80 0.00 0.00 33.01 31.41 3kp0 s GLN 299 CO 0.29 0.16 0.56 -1.64 -0.50 0.00 0.00 175.29 174.16 3kp0 s MET 300 N -3.81 2.97 0.20 1.67 -1.94 -1.26 -4.31 119.30 112.82 3kp0 s MET 300 Ca 0.36 -0.96 -0.31 0.00 -1.71 0.00 0.00 55.69 53.08 3kp0 s MET 300 Cb -0.03 -2.73 -0.11 0.00 2.01 0.00 0.00 34.83 33.98 3kp0 s MET 300 CO 0.22 -0.16 1.59 1.21 -0.01 0.00 0.00 175.02 177.86 3kp0 s ASN 301 N -4.25 6.52 0.00 3.03 2.47 -1.26 -4.92 114.94 116.53 3kp0 s ASN 301 Ca 0.49 2.72 0.00 0.00 0.42 0.00 0.00 52.86 56.49 3kp0 s ASN 301 Cb -0.10 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3kp0 s ASN 301 CO 0.34 -0.85 0.00 0.35 -3.72 0.00 0.00 177.10 173.21 3kp0 n THR 302 N 3.53 0.00 -0.05 -5.21 -2.24 -1.26 -4.87 114.28 104.18 3kp0 n THR 302 Ca 0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 3kp0 n THR 302 Cb 0.38 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 3kp0 n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kp0 h LYS 303 N 0.00 0.59 -1.61 -0.78 3.64 -1.91 -3.20 116.57 113.30 3kp0 h LYS 303 Ca 0.00 -0.41 -0.57 0.00 -1.27 0.00 0.00 60.65 58.39 3kp0 h LYS 303 Cb 0.43 0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.09 3kp0 h LYS 303 CO 0.00 1.03 0.70 0.66 -2.27 0.00 0.00 179.45 179.57 3kp0 n TYR 304 N -4.24 2.37 -3.61 1.91 4.01 -1.26 -4.94 117.16 111.40 3kp0 n TYR 304 Ca -0.07 -2.35 -0.20 0.00 -0.16 0.00 0.00 57.90 55.13 3kp0 n TYR 304 Cb 0.56 -1.26 -0.02 0.00 -0.31 0.00 0.00 39.34 38.31 3kp0 n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kp0 s MET 305 N -2.89 2.98 0.00 -0.72 1.75 -1.21 -4.97 119.30 114.24 3kp0 s MET 305 Ca 0.52 -1.11 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 3kp0 s MET 305 Cb 0.40 -2.69 0.00 0.00 2.84 0.00 0.00 34.83 35.37 3kp0 s MET 305 CO -0.16 0.09 0.00 -1.91 -0.65 0.00 0.00 175.02 172.39 3kp0 n GLU 306 N -1.53 0.00 0.00 4.11 0.00 -1.26 -4.98 120.64 116.98 3kp0 n GLU 306 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.30 3kp0 n GLU 306 Cb 0.59 0.00 0.78 0.00 0.00 0.00 0.00 31.44 32.80 3kp0 n GLU 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kp0 n ALA 307 N -3.00 2.65 -2.58 4.31 0.00 -1.26 -4.01 120.51 116.62 3kp0 n ALA 307 Ca 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 3kp0 n ALA 307 Cb 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 17.92 3kp0 n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kp0 s SER 308 N -2.26 6.19 0.09 0.00 0.15 -1.26 -4.76 113.70 111.85 3kp0 s SER 308 Ca 0.38 0.03 -0.21 0.00 0.70 0.00 0.00 55.95 56.84 3kp0 s SER 308 Cb 0.21 -2.19 -0.11 0.00 -1.71 0.00 0.00 66.02 62.22 3kp0 s SER 308 CO 0.41 -0.23 1.71 0.71 1.20 0.00 0.00 173.24 177.04 3kp0 h THR 309 N 5.45 1.07 -0.62 6.45 1.35 -1.87 -2.16 112.91 122.59 3kp0 h THR 309 Ca -0.31 -0.19 0.12 0.00 -0.55 0.00 0.00 66.41 65.48 3kp0 h THR 309 Cb 1.16 1.01 -0.12 0.00 -1.73 0.00 0.00 68.15 68.46 3kp0 h THR 309 CO 0.65 0.06 -0.25 -0.09 -0.25 0.00 0.00 175.52 175.65 3kp0 h ARG 310 N 0.10 -0.08 -0.75 4.72 2.43 -1.93 -0.49 114.38 118.38 3kp0 h ARG 310 Ca 0.04 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kp0 h ARG 310 Cb 0.05 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3kp0 h ARG 310 CO -0.01 -0.06 0.43 1.49 -1.51 0.00 0.00 179.97 180.31 3kp0 h GLU 311 N -0.09 1.03 -0.24 0.20 4.81 -1.93 -2.15 114.58 116.21 3kp0 h GLU 311 Ca 0.27 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3kp0 h GLU 311 Cb 0.52 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3kp0 h GLU 311 CO -0.67 0.75 0.06 0.00 -0.73 0.00 0.00 179.01 178.41 3kp0 h ALA 312 N 1.22 0.26 0.21 2.92 0.00 -0.46 -2.10 119.26 121.30 3kp0 h ALA 312 Ca 0.26 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3kp0 h ALA 312 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kp0 h ALA 312 CO -0.05 -0.36 -0.23 1.15 0.00 0.00 0.00 179.25 179.76 3kp0 h THR 313 N 0.16 0.49 -0.69 0.00 2.02 -0.84 -0.99 112.91 113.06 3kp0 h THR 313 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 3kp0 h THR 313 Cb 0.10 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 3kp0 h THR 313 CO -0.13 0.00 0.36 0.58 0.37 0.00 0.00 175.52 176.69 3kp0 h VAL 314 N -0.49 0.90 -0.25 3.16 2.07 -1.29 0.12 116.25 120.47 3kp0 h VAL 314 Ca 0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3kp0 h VAL 314 Cb 0.46 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3kp0 h VAL 314 CO -0.07 0.11 0.02 0.74 0.02 0.00 0.00 177.57 178.40 3kp0 h THR 315 N 0.63 1.15 -0.30 2.57 2.02 -1.04 -2.47 112.91 115.46 3kp0 h THR 315 Ca 0.33 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 3kp0 h THR 315 Cb 0.29 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3kp0 h THR 315 CO -0.23 0.19 -0.34 0.45 0.37 0.00 0.00 175.52 175.95 3kp0 h HIS 316 N 0.36 0.78 -0.51 3.16 3.86 0.53 -1.50 115.15 121.83 3kp0 h HIS 316 Ca 0.08 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 3kp0 h HIS 316 Cb 0.21 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3kp0 h HIS 316 CO 0.01 0.92 0.18 0.28 0.86 0.00 0.00 177.93 180.18 3kp0 h VAL 317 N 0.56 1.22 -0.39 2.45 2.07 -0.69 0.22 116.25 121.70 3kp0 h VAL 317 Ca 0.06 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3kp0 h VAL 317 Cb 0.85 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3kp0 h VAL 317 CO 0.07 0.27 0.27 -0.07 0.02 0.00 0.00 177.57 178.13 3kp0 h LEU 318 N 0.69 0.16 -0.38 2.57 3.38 -1.28 0.50 115.31 120.95 3kp0 h LEU 318 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3kp0 h LEU 318 Cb 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kp0 h LEU 318 CO -0.01 0.10 -0.50 0.78 0.09 0.00 0.00 178.44 178.90 3kp0 h ASN 319 N 0.18 0.90 0.46 -0.43 -0.26 0.22 -1.64 115.58 115.01 3kp0 h ASN 319 Ca 0.18 -0.46 -0.05 0.00 -0.56 0.00 0.00 56.30 55.41 3kp0 h ASN 319 Cb 0.46 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 3kp0 h ASN 319 CO -0.03 1.24 -0.24 -0.07 -1.06 0.00 0.00 177.43 177.27 3kp0 h LEU 320 N 0.64 0.00 -0.27 1.61 3.38 0.02 -2.77 115.31 117.92 3kp0 h LEU 320 Ca 0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3kp0 h LEU 320 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kp0 h LEU 320 CO 0.11 0.24 -0.78 0.25 0.09 0.00 0.00 178.44 178.35 3kp0 h LEU 321 N 0.00 0.71 -0.63 1.67 5.85 -0.45 -1.32 115.31 121.13 3kp0 h LEU 321 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3kp0 h LEU 321 Cb 0.54 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3kp0 h LEU 321 CO 0.03 1.25 0.38 0.40 -0.34 0.00 0.00 178.44 180.16 3kp0 h ILE 322 N 0.40 1.19 -0.70 4.05 1.08 -1.10 -1.83 117.51 120.60 3kp0 h ILE 322 Ca -0.05 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 3kp0 h ILE 322 Cb 1.38 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 3kp0 h ILE 322 CO 0.15 0.20 0.36 0.28 -0.69 0.00 0.00 178.15 178.44 3kp0 h SER 323 N 0.86 0.89 0.11 1.72 0.02 -1.31 -2.87 113.55 112.97 3kp0 h SER 323 Ca 0.23 -0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 3kp0 h SER 323 Cb -0.01 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3kp0 h SER 323 CO -0.04 0.75 -0.52 0.50 -1.14 0.00 0.00 176.83 176.38 3kp0 h LYS 324 N 0.97 0.46 0.00 3.45 1.63 -1.01 -2.32 116.57 119.74 3kp0 h LYS 324 Ca 0.24 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3kp0 h LYS 324 Cb 0.08 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 3kp0 h LYS 324 CO -0.04 0.87 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.73 3kp0 h LEU 325 N 0.36 0.00 0.00 5.20 3.38 -1.24 -3.43 115.31 119.58 3kp0 h LEU 325 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kp0 h LEU 325 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3kp0 h LEU 325 CO 0.09 0.03 0.00 0.35 0.09 0.00 0.00 178.44 179.00 3kp0 n THR 326 N -3.16 0.00 -3.60 0.22 -2.24 -1.04 -4.91 114.28 99.55 3kp0 n THR 326 Ca -0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3kp0 n THR 326 Cb 0.27 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 3kp0 n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kp0 s ARG 327 N 0.77 0.57 -0.30 -0.78 3.52 -0.90 -5.05 118.95 116.78 3kp0 s ARG 327 Ca 0.00 0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 55.91 3kp0 s ARG 327 Cb 0.00 0.27 0.17 0.00 -1.56 0.00 0.00 34.95 33.83 3kp0 s ARG 327 CO 0.00 -0.13 0.67 0.00 -0.81 0.00 0.00 175.30 175.03 3kp0 s ALA 328 N -0.49 -2.31 0.09 6.12 0.00 -1.26 -4.86 121.76 119.05 3kp0 s ALA 328 Ca 0.00 1.97 0.10 0.00 0.00 0.00 0.00 51.96 54.03 3kp0 s ALA 328 Cb -0.03 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 3kp0 s ALA 328 CO -0.02 -1.21 1.39 -0.44 0.00 0.00 0.00 175.76 175.49 3kp0 h ASP 329 N 7.97 0.00 -3.96 0.00 3.32 -1.31 -3.43 116.42 119.02 3kp0 h ASP 329 Ca -0.20 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.40 3kp0 h ASP 329 Cb 1.14 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.39 3kp0 h ASP 329 CO 0.18 0.81 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.08 3kp0 s ILE 330 N -2.95 0.89 -0.57 0.35 1.01 -1.04 -2.67 121.20 116.22 3kp0 s ILE 330 Ca 0.01 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3kp0 s ILE 330 Cb 0.10 -0.76 0.15 0.00 0.01 0.00 0.00 42.46 41.95 3kp0 s ILE 330 CO 0.79 0.26 0.35 -1.58 0.00 0.00 0.00 174.94 174.76 3kp0 s GLN 331 N -0.03 1.98 0.90 2.79 2.00 0.13 -1.36 119.66 126.08 3kp0 s GLN 331 Ca 0.00 -2.76 -0.10 0.00 -2.00 0.00 0.00 55.36 50.49 3kp0 s GLN 331 Cb -0.07 -3.09 0.14 0.00 0.80 0.00 0.00 33.01 30.79 3kp0 s GLN 331 CO 0.00 -1.20 1.12 -1.12 -0.50 0.00 0.00 175.29 173.60 3kp0 s SER 332 N -0.60 3.15 0.34 6.67 0.01 -0.48 -3.26 113.70 119.53 3kp0 s SER 332 Ca 0.21 2.03 0.04 0.00 1.31 0.00 0.00 55.95 59.54 3kp0 s SER 332 Cb -0.16 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 3kp0 s SER 332 CO -0.07 -2.93 0.05 0.42 0.41 0.00 0.00 173.24 171.12 3kp0 s THR 333 N -2.71 1.32 0.01 1.44 -4.23 -1.08 -4.23 115.64 106.15 3kp0 s THR 333 Ca 0.65 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 3kp0 s THR 333 Cb -0.21 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 3kp0 s THR 333 CO 0.58 0.00 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.93 3kp0 s ILE 334 N -3.19 0.77 0.34 2.99 -1.09 -1.26 -4.65 121.20 115.11 3kp0 s ILE 334 Ca 0.36 -0.57 -0.28 0.00 -2.23 0.00 0.00 60.65 57.93 3kp0 s ILE 334 Cb 0.09 -0.68 -0.10 0.00 -1.58 0.00 0.00 42.46 40.19 3kp0 s ILE 334 CO 0.16 0.11 1.22 0.42 -1.23 0.00 0.00 174.94 175.62 3kp0 s THR 335 N -0.45 3.01 0.22 2.92 -4.23 -1.26 -4.74 115.64 111.11 3kp0 s THR 335 Ca 0.02 0.97 0.34 0.00 -1.18 0.00 0.00 61.69 61.84 3kp0 s THR 335 Cb -0.05 -3.60 0.35 0.00 1.34 0.00 0.00 72.50 70.54 3kp0 s THR 335 CO 0.00 0.20 2.04 -0.65 -0.54 0.00 0.00 174.62 175.66 3kp0 h PRO 336 N 3.28 0.00 -0.74 3.99 0.11 -1.91 -2.09 132.00 134.64 3kp0 h PRO 336 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kp0 h PRO 336 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kp0 h PRO 336 CO 0.65 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 3kp0 n ASP 337 N -2.73 4.06 -0.20 -2.05 5.75 -1.26 -3.99 116.55 116.12 3kp0 n ASP 337 Ca -0.02 -2.03 0.15 0.00 -0.01 0.00 0.00 54.79 52.88 3kp0 n ASP 337 Cb 0.09 -0.51 0.48 0.00 -1.03 0.00 0.00 41.12 40.15 3kp0 n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kp0 h GLU 338 N 4.35 0.47 -0.13 0.11 4.81 -1.59 0.15 114.58 122.74 3kp0 h GLU 338 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kp0 h GLU 338 Cb 1.03 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3kp0 h GLU 338 CO 0.02 0.31 0.00 0.41 -0.73 0.00 0.00 179.01 179.01 3kp0 n GLY 339 N -1.50 0.47 0.03 1.92 0.00 -1.26 -4.01 105.19 100.84 3kp0 n GLY 339 Ca 0.16 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.70 3kp0 n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kp0 n ARG 340 N 0.55 0.94 -3.25 1.61 0.63 0.49 -4.33 116.66 113.30 3kp0 n ARG 340 Ca 0.17 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3kp0 n ARG 340 Cb 0.41 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.97 3kp0 n ARG 340 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3kp0 n ASN 341 N -2.19 0.00 -4.72 6.15 6.94 -0.92 -4.87 115.26 115.65 3kp0 n ASN 341 Ca -0.10 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.08 3kp0 n ASN 341 Cb 0.59 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.95 3kp0 n ASN 341 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3kp0 s VAL 342 N -2.87 5.16 0.16 3.53 1.01 -1.26 -4.46 120.40 121.66 3kp0 s VAL 342 Ca 0.00 1.01 -0.33 0.00 0.00 0.00 0.00 61.98 62.66 3kp0 s VAL 342 Cb 0.00 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 3kp0 s VAL 342 CO 0.00 0.33 1.09 -2.65 0.00 0.00 0.00 175.10 173.87 3kp0 n PRO 343 N 3.62 0.93 -4.03 2.72 -0.02 -1.26 -4.98 135.00 131.97 3kp0 n PRO 343 Ca -0.07 0.33 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 3kp0 n PRO 343 Cb 0.52 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 3kp0 n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kp0 s TRP 344 N -0.26 3.26 0.22 6.00 0.52 -1.26 -4.83 118.94 122.58 3kp0 s TRP 344 Ca 0.74 0.05 -0.19 0.00 0.02 0.00 0.00 56.10 56.72 3kp0 s TRP 344 Cb -0.90 -1.58 0.19 0.00 -1.15 0.00 0.00 33.47 30.03 3kp0 s TRP 344 CO 0.53 0.52 1.56 0.45 0.02 0.00 0.00 176.95 180.03 3kp0 h HIS 345 N 2.55 -1.13 0.00 -1.98 3.86 -1.72 0.18 115.15 116.91 3kp0 h HIS 345 Ca -0.47 0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 58.83 3kp0 h HIS 345 Cb 1.19 0.63 -0.00 0.00 1.06 0.00 0.00 27.41 30.28 3kp0 h HIS 345 CO 0.58 -0.40 -0.04 -0.84 0.86 0.00 0.00 177.93 178.08 3kp0 h ILE 346 N -0.04 0.93 0.04 2.45 3.07 -1.95 -2.71 117.51 119.31 3kp0 h ILE 346 Ca 0.31 -0.15 -0.27 0.00 1.55 0.00 0.00 64.86 66.30 3kp0 h ILE 346 Cb 0.58 1.08 -0.03 0.00 -0.27 0.00 0.00 36.82 38.18 3kp0 h ILE 346 CO -0.93 0.04 -1.43 1.88 -1.05 0.00 0.00 178.15 176.67 3kp0 h TYR 347 N 0.00 0.16 -0.80 0.16 0.05 -1.37 -1.57 116.97 113.59 3kp0 h TYR 347 Ca -0.00 -0.11 0.06 0.00 0.05 0.00 0.00 58.73 58.73 3kp0 h TYR 347 Cb 0.08 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 37.75 3kp0 h TYR 347 CO 0.00 1.14 0.48 -0.91 -1.05 0.00 0.00 178.16 177.82 3kp0 h ASN 348 N 0.02 0.75 -0.36 3.88 4.21 -1.32 -1.68 115.58 121.07 3kp0 h ASN 348 Ca -0.18 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.31 3kp0 h ASN 348 Cb 1.93 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.99 3kp0 h ASN 348 CO 0.12 0.48 0.07 0.40 -1.29 0.00 0.00 177.43 177.21 3kp0 h ILE 349 N 0.88 1.23 -0.46 2.81 5.03 -1.44 -2.54 117.51 123.02 3kp0 h ILE 349 Ca 0.35 -0.80 0.09 0.00 -0.12 0.00 0.00 64.86 64.38 3kp0 h ILE 349 Cb 0.18 1.06 -0.09 0.00 -3.03 0.00 0.00 36.82 34.94 3kp0 h ILE 349 CO -0.18 0.27 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.09 3kp0 h GLU 350 N 0.43 -0.04 -0.55 2.37 5.08 -1.13 -0.49 114.58 120.25 3kp0 h GLU 350 Ca 0.11 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.58 3kp0 h GLU 350 Cb 0.33 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.48 3kp0 h GLU 350 CO 0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 179.01 177.82 3kp0 h ALA 351 N 1.38 0.31 0.93 3.43 0.00 -1.08 0.59 119.26 124.82 3kp0 h ALA 351 Ca 0.22 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 3kp0 h ALA 351 Cb 0.38 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3kp0 h ALA 351 CO -0.49 -0.47 -0.45 0.00 0.00 0.00 0.00 179.25 177.84 3kp0 h ASP 353 N -1.26 -1.88 -0.70 0.00 3.32 -0.87 0.22 116.42 115.25 3kp0 h ASP 353 Ca -0.13 0.30 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3kp0 h ASP 353 Cb 0.96 0.85 -0.06 0.00 0.22 0.00 0.00 39.33 41.31 3kp0 h ASP 353 CO 0.21 -0.28 0.41 0.74 -1.72 0.00 0.00 179.24 178.60 3kp0 h THR 354 N -0.08 0.99 -0.54 0.35 2.02 -0.91 0.37 112.91 115.11 3kp0 h THR 354 Ca 0.19 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3kp0 h THR 354 Cb 0.50 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3kp0 h THR 354 CO -0.88 0.14 0.20 0.00 0.37 0.00 0.00 175.52 175.35 3kp0 h ALA 355 N 1.35 0.70 -0.22 6.16 0.00 -0.40 -1.15 119.26 125.71 3kp0 h ALA 355 Ca 0.31 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kp0 h ALA 355 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kp0 h ALA 355 CO -0.18 0.33 -0.04 -0.22 0.00 0.00 0.00 179.25 179.15 3kp0 h LYS 356 N 0.74 0.41 -0.19 0.00 3.64 -0.61 -2.60 116.57 117.96 3kp0 h LYS 356 Ca 0.18 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3kp0 h LYS 356 Cb 0.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3kp0 h LYS 356 CO -0.01 0.63 0.05 0.37 -2.27 0.00 0.00 179.45 178.22 3kp0 h GLN 357 N 0.14 0.13 -0.44 1.90 4.15 -0.16 -1.31 115.11 119.53 3kp0 h GLN 357 Ca 0.06 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 3kp0 h GLN 357 Cb 0.47 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3kp0 h GLN 357 CO 0.02 0.08 0.04 0.00 -1.93 0.00 0.00 178.83 177.04 3kp0 h ALA 358 N 1.12 0.58 -0.29 3.38 0.00 -1.28 -1.93 119.26 120.85 3kp0 h ALA 358 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3kp0 h ALA 358 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kp0 h ALA 358 CO -0.10 0.33 -0.28 -0.07 0.00 0.00 0.00 179.25 179.13 3kp0 h LEU 359 N 0.59 0.61 -0.34 0.00 3.38 -1.31 -1.96 115.31 116.28 3kp0 h LEU 359 Ca 0.13 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3kp0 h LEU 359 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kp0 h LEU 359 CO 0.01 0.87 -0.29 0.40 0.09 0.00 0.00 178.44 179.52 3kp0 h ILE 360 N 0.51 1.29 0.00 1.22 1.08 -1.13 -2.64 117.51 117.84 3kp0 h ILE 360 Ca 0.07 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.07 3kp0 h ILE 360 Cb 0.75 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.95 3kp0 h ILE 360 CO 0.06 0.47 -0.09 1.23 -0.69 0.00 0.00 178.15 179.14 3kp0 h GLY 361 N 0.58 0.00 -3.05 5.37 0.00 -1.18 -1.72 103.07 103.08 3kp0 h GLY 361 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kp0 h GLY 361 CO 0.07 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.64 3kp0 n MET 362 N -3.99 4.10 -1.68 4.80 2.81 -0.75 -4.95 117.12 117.46 3kp0 n MET 362 Ca -0.02 -2.56 -0.45 0.00 -1.81 0.00 0.00 57.70 52.85 3kp0 n MET 362 Cb 0.18 -2.09 -0.04 0.00 -0.71 0.00 0.00 33.22 30.56 3kp0 n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kp0 n ASP 363 N 0.56 3.64 0.00 7.83 2.03 -0.65 -1.76 116.55 128.20 3kp0 n ASP 363 Ca 0.23 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.54 3kp0 n ASP 363 Cb 1.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 3kp0 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp0 n GLY 364 N 4.09 0.82 0.32 0.27 0.00 -1.26 -4.90 105.19 104.53 3kp0 n GLY 364 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3kp0 n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kp0 h LEU 365 N 0.00 0.54 0.00 0.99 5.85 -1.71 -0.30 115.31 120.68 3kp0 h LEU 365 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kp0 h LEU 365 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3kp0 h LEU 365 CO 0.00 0.18 0.00 0.23 -0.34 0.00 0.00 178.44 178.51 3kp0 n MET 366 N -4.89 1.00 0.10 1.25 2.81 -1.26 -0.97 117.12 115.15 3kp0 n MET 366 Ca 0.20 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.21 3kp0 n MET 366 Cb 0.52 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.97 3kp0 n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kp0 n ASP 367 N -1.00 0.68 -0.00 7.83 8.00 -0.12 -4.19 116.55 127.75 3kp0 n ASP 367 Ca 0.24 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.32 3kp0 n ASP 367 Cb 0.11 -0.76 -0.00 0.00 -0.02 0.00 0.00 41.12 40.45 3kp0 n ASP 367 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kp0 n MET 368 N -2.16 1.21 -4.28 -1.24 2.81 -0.15 -5.05 117.12 108.26 3kp0 n MET 368 Ca 0.05 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.77 3kp0 n MET 368 Cb 0.38 -0.93 -0.10 0.00 -0.71 0.00 0.00 33.22 31.86 3kp0 n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kp0 s VAL 369 N -1.86 1.44 0.24 2.03 1.01 -0.46 -5.13 120.40 117.67 3kp0 s VAL 369 Ca -0.00 -2.01 -0.17 0.00 0.00 0.00 0.00 61.98 59.80 3kp0 s VAL 369 Cb 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3kp0 s VAL 369 CO 0.02 -0.58 0.56 0.00 0.00 0.00 0.00 175.10 175.10 3kp0 s GLN 370 N -3.36 1.55 0.13 2.72 -2.07 -1.26 -4.58 119.66 112.79 3kp0 s GLN 370 Ca 0.16 -1.03 -0.27 0.00 -1.82 0.00 0.00 55.36 52.40 3kp0 s GLN 370 Cb -0.01 0.53 -0.07 0.00 -1.09 0.00 0.00 33.01 32.37 3kp0 s GLN 370 CO 0.04 -0.67 0.85 -0.51 -1.32 0.00 0.00 175.29 173.68 3kp0 s LEU 371 N -2.94 4.54 -1.07 2.60 1.43 -1.26 -4.96 118.68 117.02 3kp0 s LEU 371 Ca 0.14 1.68 -0.22 0.00 -1.03 0.00 0.00 54.13 54.70 3kp0 s LEU 371 Cb -0.02 -3.41 0.05 0.00 0.03 0.00 0.00 46.19 42.84 3kp0 s LEU 371 CO 0.04 0.07 1.51 -0.54 0.23 0.00 0.00 176.35 177.66 3kp0 s LYS 372 N -0.52 3.64 0.34 1.70 1.02 -1.26 -4.85 119.74 119.81 3kp0 s LYS 372 Ca 0.40 -1.26 0.15 0.00 0.02 0.00 0.00 55.97 55.28 3kp0 s LYS 372 Cb -0.23 -5.39 0.60 0.00 -0.52 0.00 0.00 37.83 32.30 3kp0 s LYS 372 CO 0.27 -2.25 1.72 -0.09 -0.92 0.00 0.00 175.35 174.08 3kp0 h ARG 373 N 9.43 0.00 -6.01 1.68 9.65 -1.99 -3.40 114.38 123.73 3kp0 h ARG 373 Ca 0.24 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.48 3kp0 h ARG 373 Cb 0.98 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.49 3kp0 h ARG 373 CO 1.43 0.45 -0.56 -2.00 2.80 0.00 0.00 179.97 182.10 3kp0 s GLU 374 N -3.74 3.13 0.00 0.20 2.12 -1.26 -2.99 118.70 116.16 3kp0 s GLU 374 Ca -0.01 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.80 3kp0 s GLU 374 Cb 0.12 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.63 3kp0 s GLU 374 CO 0.72 0.62 0.00 0.41 -0.54 0.00 0.00 175.26 176.47 3kp0 n GLY 375 N 0.76 0.79 0.32 -1.50 0.00 -1.26 -4.76 105.19 99.54 3kp0 n GLY 375 Ca -0.10 -1.84 0.21 0.00 0.00 0.00 0.00 46.02 44.30 3kp0 n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kp0 h VAL 376 N 0.00 0.00 0.14 1.61 3.04 -1.95 -3.15 116.25 115.94 3kp0 h VAL 376 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 3kp0 h VAL 376 Cb 0.00 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 3kp0 h VAL 376 CO 0.00 0.00 -0.07 0.25 -1.01 0.00 0.00 177.57 176.74 3kp0 h LEU 377 N 0.00 -0.16 -1.51 3.16 5.85 -1.86 -3.09 115.31 117.71 3kp0 h LEU 377 Ca 0.00 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3kp0 h LEU 377 Cb 0.11 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3kp0 h LEU 377 CO 0.00 0.35 -0.18 1.23 -0.34 0.00 0.00 178.44 179.50 3kp0 h GLY 378 N -0.73 0.00 0.85 3.75 0.00 -1.49 -1.32 103.07 104.12 3kp0 h GLY 378 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3kp0 h GLY 378 CO 0.03 0.00 -0.28 -0.55 0.00 0.00 0.00 176.54 175.74 3kp0 h ASP 379 N 0.00 0.57 0.30 0.19 3.32 -1.59 -1.48 116.42 117.73 3kp0 h ASP 379 Ca -0.00 -0.52 -0.21 0.00 0.02 0.00 0.00 57.03 56.32 3kp0 h ASP 379 Cb 0.55 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kp0 h ASP 379 CO 0.02 0.98 -0.88 0.74 -1.72 0.00 0.00 179.24 178.39 3kp0 h THR 380 N 0.18 1.39 -0.90 0.35 2.02 -1.42 -0.98 112.91 113.55 3kp0 h THR 380 Ca 0.02 -2.35 0.11 0.00 0.77 0.00 0.00 66.41 64.96 3kp0 h THR 380 Cb 0.86 2.32 -0.07 0.00 -1.74 0.00 0.00 68.15 69.52 3kp0 h THR 380 CO 0.06 0.70 0.58 0.58 0.37 0.00 0.00 175.52 177.82 3kp0 h VAL 381 N 0.25 0.93 -0.02 3.16 2.07 -1.21 -1.18 116.25 120.25 3kp0 h VAL 381 Ca -0.06 -0.29 -0.26 0.00 0.82 0.00 0.00 66.70 66.91 3kp0 h VAL 381 Cb 1.49 0.01 0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3kp0 h VAL 381 CO 0.15 0.15 -1.01 -0.09 0.02 0.00 0.00 177.57 176.80 3kp0 h ARG 382 N 0.84 0.70 -0.24 1.57 9.65 -0.96 -3.14 114.38 122.80 3kp0 h ARG 382 Ca 0.43 -0.73 -0.06 0.00 -1.10 0.00 0.00 59.98 58.52 3kp0 h ARG 382 Cb 0.50 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 3kp0 h ARG 382 CO -0.20 1.31 -0.07 1.49 2.80 0.00 0.00 179.97 185.30 3kp0 h GLU 383 N 0.41 0.48 -0.97 0.20 4.81 -0.75 -2.00 114.58 116.75 3kp0 h GLU 383 Ca -0.12 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3kp0 h GLU 383 Cb 1.65 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.94 3kp0 h GLU 383 CO 0.20 0.71 0.62 -0.07 -0.73 0.00 0.00 179.01 179.75 3kp0 h LEU 384 N 0.22 0.99 -0.48 1.64 3.38 -1.35 0.14 115.31 119.84 3kp0 h LEU 384 Ca 0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kp0 h LEU 384 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3kp0 h LEU 384 CO 0.03 0.62 0.17 0.11 0.09 0.00 0.00 178.44 179.46 3kp0 h LYS 385 N 1.12 0.73 -0.05 1.13 1.57 -1.46 -1.78 116.57 117.82 3kp0 h LYS 385 Ca 0.43 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3kp0 h LYS 385 Cb 0.20 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kp0 h LYS 385 CO -0.18 0.68 0.02 0.93 -0.57 0.00 0.00 179.45 180.32 3kp0 h GLU 386 N 0.64 0.08 -0.93 3.15 5.08 -0.62 -1.91 114.58 120.07 3kp0 h GLU 386 Ca 0.16 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.65 3kp0 h GLU 386 Cb 0.23 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 3kp0 h GLU 386 CO -0.01 0.21 0.59 0.00 -1.00 0.00 0.00 179.01 178.81 3kp0 h ARG 387 N -0.08 0.72 -0.06 2.33 3.08 -0.59 1.00 114.38 120.78 3kp0 h ARG 387 Ca 0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3kp0 h ARG 387 Cb 0.17 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kp0 h ARG 387 CO -0.00 0.48 -0.10 0.00 -1.07 0.00 0.00 179.97 179.28 3kp0 h ALA 388 N 1.59 0.09 -0.80 0.04 0.00 -1.11 -1.52 119.26 117.55 3kp0 h ALA 388 Ca 0.48 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3kp0 h ALA 388 Cb 0.73 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3kp0 h ALA 388 CO -0.24 -0.05 0.47 0.28 0.00 0.00 0.00 179.25 179.71 3kp0 h VAL 389 N -0.31 0.97 0.21 0.00 2.07 -0.88 0.46 116.25 118.78 3kp0 h VAL 389 Ca 0.00 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3kp0 h VAL 389 Cb 0.66 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3kp0 h VAL 389 CO 0.02 0.15 -0.24 -0.07 0.02 0.00 0.00 177.57 177.45 3kp0 h LEU 390 N 0.83 -0.65 -0.68 2.57 3.38 -0.73 0.65 115.31 120.68 3kp0 h LEU 390 Ca 0.37 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.55 3kp0 h LEU 390 Cb 0.25 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 3kp0 h LEU 390 CO -0.21 -0.35 0.01 0.15 0.09 0.00 0.00 178.44 178.14 3kp0 h PHE 391 N -0.50 -0.03 -0.79 1.13 -0.00 -0.34 0.22 116.94 116.63 3kp0 h PHE 391 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 57.97 58.06 3kp0 h PHE 391 Cb 0.47 0.12 -0.05 0.00 -0.00 0.00 0.00 35.95 36.49 3kp0 h PHE 391 CO -0.18 -0.19 0.50 0.52 -0.00 0.00 0.00 178.31 178.96 3kp0 h MET 392 N 0.12 0.94 -0.85 1.11 2.86 -0.45 -2.36 114.93 116.29 3kp0 h MET 392 Ca 0.36 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3kp0 h MET 392 Cb 0.61 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3kp0 h MET 392 CO -0.58 0.62 0.52 0.93 1.06 0.00 0.00 176.91 179.46 3kp0 h GLU 393 N 0.96 1.15 0.00 1.72 5.08 0.11 -2.50 114.58 121.11 3kp0 h GLU 393 Ca 0.32 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3kp0 h GLU 393 Cb 0.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3kp0 h GLU 393 CO -0.12 0.80 -0.43 1.49 -1.00 0.00 0.00 179.01 179.75 3kp0 h GLU 394 N 1.17 0.00 0.00 2.33 4.81 -1.00 -1.95 114.58 119.94 3kp0 h GLU 394 Ca 0.31 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 3kp0 h GLU 394 Cb -0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3kp0 h GLU 394 CO -0.06 0.43 -0.52 0.82 -0.73 0.00 0.00 179.01 178.95 3kp0 h ILE 395 N 0.00 1.24 0.00 2.32 2.04 -1.00 -1.83 117.51 120.28 3kp0 h ILE 395 Ca -0.00 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 3kp0 h ILE 395 Cb 0.82 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3kp0 h ILE 395 CO 0.06 0.51 -0.03 0.40 0.00 0.00 0.00 178.15 179.09 3kp0 h ILE 396 N 0.00 1.67 -0.69 -0.67 2.04 -1.34 -0.96 117.51 117.57 3kp0 h ILE 396 Ca -0.01 -2.02 0.15 0.00 1.00 0.00 0.00 64.86 63.98 3kp0 h ILE 396 Cb 1.01 3.04 -0.12 0.00 -0.74 0.00 0.00 36.82 40.02 3kp0 h ILE 396 CO 0.07 0.53 0.03 -0.08 0.00 0.00 0.00 178.15 178.69 3kp0 h GLU 397 N -0.82 0.13 0.00 2.37 4.22 -1.36 0.71 114.58 119.83 3kp0 h GLU 397 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3kp0 h GLU 397 Cb 0.88 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3kp0 h GLU 397 CO 0.01 0.09 0.00 0.00 -2.18 0.00 0.00 179.01 176.92 3kp0 n ALA 398 N -2.83 2.25 -2.02 2.92 0.00 -0.69 -4.87 120.51 115.27 3kp0 n ALA 398 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kp0 n ALA 398 Cb 0.42 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3kp0 n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp0 n GLY 399 N 0.26 0.93 0.00 0.00 0.00 0.25 -4.70 105.19 101.93 3kp0 n GLY 399 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3kp0 n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp0 n GLY 400 N -0.48 2.52 0.35 -0.02 0.00 -0.37 -4.71 105.19 102.48 3kp0 n GLY 400 Ca 0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.91 3kp0 n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kp0 h TYR 401 N 0.00 1.16 -0.55 1.61 3.20 -1.95 -2.71 116.97 117.74 3kp0 h TYR 401 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3kp0 h TYR 401 Cb 0.00 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.86 3kp0 h TYR 401 CO 0.00 0.76 0.21 0.74 -1.64 0.00 0.00 178.16 178.23 3kp0 h PHE 402 N 1.23 0.85 -0.67 -3.82 0.04 -1.95 -1.43 116.94 111.18 3kp0 h PHE 402 Ca 0.32 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.95 3kp0 h PHE 402 Cb -0.08 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 3kp0 h PHE 402 CO -0.00 0.70 0.14 -0.91 -0.60 0.00 0.00 178.31 177.63 3kp0 h ASN 403 N 0.75 1.03 -0.56 2.17 4.21 -1.81 -0.67 115.58 120.71 3kp0 h ASN 403 Ca 0.18 -0.23 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 3kp0 h ASN 403 Cb 0.22 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 3kp0 h ASN 403 CO -0.01 1.00 0.29 0.00 -1.29 0.00 0.00 177.43 177.42 3kp0 h ALA 404 N 1.12 0.72 0.43 -0.83 0.00 -1.32 -1.25 119.26 118.12 3kp0 h ALA 404 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kp0 h ALA 404 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kp0 h ALA 404 CO 0.01 0.25 -0.21 0.28 0.00 0.00 0.00 179.25 179.58 3kp0 h VAL 405 N 0.75 0.58 -0.00 0.00 2.07 -0.98 -1.14 116.25 117.53 3kp0 h VAL 405 Ca 0.19 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3kp0 h VAL 405 Cb 0.07 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3kp0 h VAL 405 CO -0.03 0.01 0.10 -0.08 0.02 0.00 0.00 177.57 177.60 3kp0 h GLU 406 N -0.61 0.00 -0.48 1.57 4.81 -1.00 0.19 114.58 119.06 3kp0 h GLU 406 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3kp0 h GLU 406 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3kp0 h GLU 406 CO 0.10 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.42 3kp0 n GLN 407 N -3.04 2.35 -2.18 1.92 6.02 -0.48 -4.69 117.38 117.27 3kp0 n GLN 407 Ca -0.03 -2.08 -0.12 0.00 -0.01 0.00 0.00 57.00 54.76 3kp0 n GLN 407 Cb 0.17 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 3kp0 n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kp0 n GLY 408 N 1.44 -0.06 0.35 1.08 0.00 0.66 -4.92 105.19 103.74 3kp0 n GLY 408 Ca 0.20 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.97 3kp0 n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kp0 h PHE 409 N 0.00 0.28 -3.03 1.61 -1.00 -1.36 -3.39 116.94 110.05 3kp0 h PHE 409 Ca -0.29 0.01 -0.63 0.00 2.81 0.00 0.00 57.97 59.87 3kp0 h PHE 409 Cb 1.19 -0.09 -0.06 0.00 3.61 0.00 0.00 35.95 40.60 3kp0 h PHE 409 CO 0.33 0.13 -0.54 -0.06 -1.61 0.00 0.00 178.31 176.56 3kp0 s PHE 410 N -5.26 3.37 -0.28 -0.55 0.08 -1.26 -4.44 117.98 109.64 3kp0 s PHE 410 Ca -0.07 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3kp0 s PHE 410 Cb 0.19 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3kp0 s PHE 410 CO 0.73 0.56 0.00 0.28 -0.10 0.00 0.00 175.22 176.70 3kp0 n VAL 411 N 0.41 0.00 -2.48 -0.44 0.31 -1.26 -1.20 118.33 113.66 3kp0 n VAL 411 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.85 3kp0 n VAL 411 Cb 0.51 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 32.81 3kp0 n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kp0 s ASP 412 N -2.31 7.21 0.00 4.52 2.15 -1.26 -4.02 116.67 122.96 3kp0 s ASP 412 Ca 0.00 2.10 0.07 0.00 0.43 0.00 0.00 52.55 55.15 3kp0 s ASP 412 Cb 0.00 -2.60 0.43 0.00 -0.30 0.00 0.00 42.92 40.45 3kp0 s ASP 412 CO 0.00 -0.28 1.19 -1.54 -0.17 0.00 0.00 175.17 174.37 3kp0 n SER 413 N 2.61 0.00 -4.80 -0.34 3.41 -1.26 -4.84 113.62 108.39 3kp0 n SER 413 Ca 0.04 -1.57 -0.37 0.00 -0.26 0.00 0.00 58.87 56.70 3kp0 n SER 413 Cb 0.46 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3kp0 n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kp0 s GLY 414 N -1.33 2.71 -0.95 5.00 0.00 -1.26 -4.85 107.32 106.63 3kp0 s GLY 414 Ca 0.11 0.18 -0.24 0.00 0.00 0.00 0.00 44.72 44.77 3kp0 s GLY 414 CO 0.08 0.59 1.77 -0.47 0.00 0.00 0.00 173.10 175.08 3kp0 s TYR 415 N -1.34 2.07 0.34 1.90 5.04 -1.25 -4.78 117.35 119.32 3kp0 s TYR 415 Ca 0.38 0.09 -0.26 0.00 -2.44 0.00 0.00 57.07 54.85 3kp0 s TYR 415 Cb -0.19 -4.28 -0.13 0.00 0.35 0.00 0.00 41.96 37.71 3kp0 s TYR 415 CO 0.22 -1.80 0.81 0.98 -1.34 0.00 0.00 175.55 174.42 3kp0 n TYR 416 N 12.17 0.50 0.33 4.97 9.36 -1.26 -2.19 117.16 141.04 3kp0 n TYR 416 Ca 0.38 0.69 0.14 0.00 3.32 0.00 0.00 57.90 62.43 3kp0 n TYR 416 Cb 0.48 -2.13 0.61 0.00 -0.63 0.00 0.00 39.34 37.67 3kp0 n TYR 416 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3kp0 h PRO 417 N 1.44 0.00 -6.20 2.98 0.13 -1.92 -3.48 132.00 124.95 3kp0 h PRO 417 Ca -0.39 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.03 3kp0 h PRO 417 Cb 1.37 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.54 3kp0 h PRO 417 CO 0.57 0.00 0.59 -1.91 -0.23 0.00 0.00 178.00 177.02 3kp0 n GLU 418 N -2.51 1.04 -3.94 0.86 2.13 -0.93 -4.99 120.64 112.30 3kp0 n GLU 418 Ca 0.01 0.38 -0.27 0.00 0.66 0.00 0.00 57.16 57.94 3kp0 n GLU 418 Cb 0.20 -2.02 -0.17 0.00 0.27 0.00 0.00 31.44 29.72 3kp0 n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kp0 s ARG 419 N 1.60 1.58 0.15 5.31 3.52 -1.26 -3.80 118.95 126.05 3kp0 s ARG 419 Ca 0.90 -0.28 0.17 0.00 -0.13 0.00 0.00 55.73 56.40 3kp0 s ARG 419 Cb -1.03 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 30.69 3kp0 s ARG 419 CO 0.55 -0.25 1.04 -0.91 -0.81 0.00 0.00 175.30 174.91 3kp0 h ASN 420 N 8.12 0.00 0.00 -2.12 2.35 -1.92 -3.49 115.58 118.52 3kp0 h ASN 420 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3kp0 h ASN 420 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3kp0 h ASN 420 CO 0.42 0.45 0.00 0.61 -1.65 0.00 0.00 177.43 177.26 3kp0 n GLY 421 N 1.31 0.76 1.09 2.83 0.00 -1.26 -4.94 105.19 104.97 3kp0 n GLY 421 Ca -0.05 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3kp0 n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kp0 n ASP 422 N 0.01 3.23 -4.44 1.61 5.68 -1.26 -4.97 116.55 116.40 3kp0 n ASP 422 Ca 0.00 -1.96 -0.28 0.00 -0.50 0.00 0.00 54.79 52.05 3kp0 n ASP 422 Cb 0.00 -0.27 0.24 0.00 -1.14 0.00 0.00 41.12 39.95 3kp0 n ASP 422 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kp0 s GLY 423 N -1.39 1.53 -0.40 6.12 0.00 -1.26 -4.68 107.32 107.25 3kp0 s GLY 423 Ca 0.39 -0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 3kp0 s GLY 423 CO 0.31 0.42 0.52 -0.42 0.00 0.00 0.00 173.10 173.93 3kp0 s ILE 424 N -2.61 4.99 -0.24 0.90 -1.09 -0.34 -4.86 121.20 117.95 3kp0 s ILE 424 Ca 0.68 0.02 -0.10 0.00 -2.23 0.00 0.00 60.65 59.02 3kp0 s ILE 424 Cb -0.22 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3kp0 s ILE 424 CO 0.62 -0.39 0.16 0.00 -1.23 0.00 0.00 174.94 174.10 3kp0 s ALA 425 N 2.41 3.58 0.07 9.38 0.00 -1.26 -4.46 121.76 131.48 3kp0 s ALA 425 Ca 0.17 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3kp0 s ALA 425 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 3kp0 s ALA 425 CO 0.15 -0.25 0.06 1.03 0.00 0.00 0.00 175.76 176.75 3kp0 s ARG 426 N 1.16 2.80 0.02 0.00 1.81 -1.26 -5.00 118.95 118.50 3kp0 s ARG 426 Ca 0.07 -0.71 -0.21 0.00 -1.72 0.00 0.00 55.73 53.16 3kp0 s ARG 426 Cb -0.14 -2.68 -0.06 0.00 -0.45 0.00 0.00 34.95 31.62 3kp0 s ARG 426 CO 0.05 0.57 0.61 -0.65 -0.68 0.00 0.00 175.30 175.20 3kp0 s GLN 427 N -2.30 4.32 0.25 3.54 -0.21 -1.26 -3.70 119.66 120.30 3kp0 s GLN 427 Ca 0.28 0.78 -0.04 0.00 0.02 0.00 0.00 55.36 56.40 3kp0 s GLN 427 Cb -0.12 -3.32 0.46 0.00 1.00 0.00 0.00 33.01 31.03 3kp0 s GLN 427 CO 0.20 0.43 1.73 0.82 -2.12 0.00 0.00 175.29 176.35 3kp0 h ILE 428 N 3.97 0.66 -0.01 1.08 2.04 -1.97 -2.75 117.51 120.52 3kp0 h ILE 428 Ca -0.46 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3kp0 h ILE 428 Cb 1.20 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3kp0 h ILE 428 CO 0.68 0.08 -0.10 -0.46 0.00 0.00 0.00 178.15 178.36 3kp0 n ASN 429 N -5.00 1.52 -1.77 1.72 6.94 -1.26 -4.66 115.26 112.76 3kp0 n ASN 429 Ca 0.14 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.34 3kp0 n ASN 429 Cb 0.42 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 3kp0 n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kp0 n GLY 430 N 1.25 4.58 0.28 4.83 0.00 -1.04 -4.76 105.19 110.34 3kp0 n GLY 430 Ca 0.16 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3kp0 n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp0 n GLY 431 N 5.00 -2.05 3.45 -0.02 0.00 -1.26 -4.45 105.19 105.86 3kp0 n GLY 431 Ca 0.00 -2.04 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 3kp0 n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kp0 s ILE 432 N -0.14 4.69 0.00 -0.61 -1.09 -0.71 -3.52 121.20 119.82 3kp0 s ILE 432 Ca 0.00 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 3kp0 s ILE 432 Cb 0.00 -4.44 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 3kp0 s ILE 432 CO 0.00 -1.03 0.00 0.61 -1.23 0.00 0.00 174.94 173.29 3kp0 n GLY 433 N 5.21 1.58 3.77 6.18 0.00 -1.26 -2.38 105.19 118.28 3kp0 n GLY 433 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3kp0 n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp0 s ALA 434 N -2.00 3.22 -0.95 4.61 0.00 -1.23 -2.96 121.76 122.45 3kp0 s ALA 434 Ca 0.00 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 3kp0 s ALA 434 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3kp0 s ALA 434 CO 0.00 -1.06 0.22 0.41 0.00 0.00 0.00 175.76 175.33 3kp0 n GLY 435 N 0.61 -0.06 0.04 0.00 0.00 -1.26 -4.88 105.19 99.64 3kp0 n GLY 435 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3kp0 n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kp0 n THR 436 N -3.99 1.04 -3.34 2.61 -2.24 -1.16 -5.00 114.28 102.21 3kp0 n THR 436 Ca -0.09 -1.13 -0.38 0.00 -2.27 0.00 0.00 64.05 60.18 3kp0 n THR 436 Cb 0.58 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 3kp0 n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kp0 s VAL 437 N -1.27 5.05 -0.02 2.28 1.01 -1.26 -5.04 120.40 121.16 3kp0 s VAL 437 Ca 0.07 1.00 0.05 0.00 0.00 0.00 0.00 61.98 63.10 3kp0 s VAL 437 Cb 0.06 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3kp0 s VAL 437 CO 0.01 0.43 -0.17 -0.36 0.00 0.00 0.00 175.10 175.01 3kp0 s PHE 438 N -0.13 1.53 0.13 5.22 0.08 -1.26 -5.11 117.98 118.44 3kp0 s PHE 438 Ca 0.27 -0.32 -0.31 0.00 0.12 0.00 0.00 56.93 56.69 3kp0 s PHE 438 Cb -0.16 -1.00 -0.08 0.00 -0.57 0.00 0.00 43.02 41.21 3kp0 s PHE 438 CO 0.13 -0.05 1.36 -2.00 -0.10 0.00 0.00 175.22 174.56 3kp0 s GLU 439 N -0.31 4.34 0.13 0.44 2.12 -1.26 -4.98 118.70 119.17 3kp0 s GLU 439 Ca 0.05 2.05 -0.31 0.00 0.36 0.00 0.00 54.97 57.12 3kp0 s GLU 439 Cb -0.07 -3.24 -0.08 0.00 0.26 0.00 0.00 34.13 31.00 3kp0 s GLU 439 CO -0.00 -0.38 1.39 1.03 -0.54 0.00 0.00 175.26 176.76 3kp0 s ARG 440 N 0.79 4.32 0.72 4.30 0.52 -1.26 -5.03 118.95 123.32 3kp0 s ARG 440 Ca 0.62 2.09 -0.07 0.00 -0.52 0.00 0.00 55.73 57.85 3kp0 s ARG 440 Cb -0.36 -3.24 0.06 0.00 0.52 0.00 0.00 34.95 31.94 3kp0 s ARG 440 CO 0.32 -0.43 1.04 -0.51 0.02 0.00 0.00 175.30 175.75 3kp0 s ASP 441 N 1.01 4.75 0.34 0.23 1.01 -1.26 -4.97 116.67 117.80 3kp0 s ASP 441 Ca 0.64 0.50 0.03 0.00 0.71 0.00 0.00 52.55 54.43 3kp0 s ASP 441 Cb -0.37 -1.12 0.65 0.00 1.01 0.00 0.00 42.92 43.08 3kp0 s ASP 441 CO 0.31 -1.65 1.97 -0.08 0.21 0.00 0.00 175.17 175.93 3kp0 h GLU 442 N -0.68 0.84 -0.56 8.23 4.22 -2.01 -1.89 114.58 122.72 3kp0 h GLU 442 Ca -0.45 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 58.90 3kp0 h GLU 442 Cb 1.32 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3kp0 h GLU 442 CO 0.61 0.55 0.05 -0.40 -2.18 0.00 0.00 179.01 177.64 3kp0 n ASP 443 N -4.46 5.33 -4.77 1.04 5.75 -1.26 -4.78 116.55 113.41 3kp0 n ASP 443 Ca 0.09 -3.01 -0.40 0.00 -0.01 0.00 0.00 54.79 51.47 3kp0 n ASP 443 Cb 0.13 -0.68 0.01 0.00 -1.03 0.00 0.00 41.12 39.55 3kp0 n ASP 443 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3kp0 s TYR 444 N -2.83 2.59 0.04 2.11 5.04 -0.71 -4.87 117.35 118.72 3kp0 s TYR 444 Ca 0.53 1.32 -0.13 0.00 -2.44 0.00 0.00 57.07 56.36 3kp0 s TYR 444 Cb 0.41 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.92 3kp0 s TYR 444 CO 0.14 -2.60 0.28 1.41 -1.34 0.00 0.00 175.55 173.44 3kp0 s MET 445 N -2.39 0.77 -0.20 4.97 -2.45 -1.26 -0.55 119.30 118.20 3kp0 s MET 445 Ca 0.60 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 54.48 3kp0 s MET 445 Cb -0.41 0.33 0.10 0.00 1.25 0.00 0.00 34.83 36.10 3kp0 s MET 445 CO 0.53 -0.24 0.25 0.00 1.05 0.00 0.00 175.02 176.61 3kp0 s ALA 446 N -2.49 -0.45 -0.99 4.11 0.00 -1.26 -4.96 121.76 115.72 3kp0 s ALA 446 Ca -0.05 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.30 3kp0 s ALA 446 Cb -0.01 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3kp0 s ALA 446 CO -0.03 -1.13 2.90 -0.35 0.00 0.00 0.00 175.76 177.15 3kp0 n PRO 447 N 5.33 3.39 -3.80 0.00 -0.04 -1.26 -4.84 135.00 133.77 3kp0 n PRO 447 Ca -0.05 -2.35 -0.11 0.00 -0.04 0.00 0.00 63.50 60.95 3kp0 n PRO 447 Cb 0.50 -2.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.41 3kp0 n PRO 447 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kp0 s VAL 448 N 0.18 0.09 0.82 0.52 -7.23 -1.26 -4.04 120.40 109.47 3kp0 s VAL 448 Ca 0.63 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.94 3kp0 s VAL 448 Cb 0.25 -0.85 0.09 0.00 0.56 0.00 0.00 36.38 36.42 3kp0 s VAL 448 CO -0.09 -0.41 1.09 -0.89 -0.31 0.00 0.00 175.10 174.50 3kp0 s THR 449 N -2.32 3.04 -1.30 5.32 2.01 -1.26 -4.13 115.64 117.01 3kp0 s THR 449 Ca -0.07 0.34 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 3kp0 s THR 449 Cb -0.02 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.70 3kp0 s THR 449 CO -0.02 -0.44 1.07 0.00 -0.69 0.00 0.00 174.62 174.53 3kp0 n ALA 450 N -3.69 -1.66 -2.73 7.40 0.00 -1.26 -5.01 120.51 113.55 3kp0 n ALA 450 Ca 0.08 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 3kp0 n ALA 450 Cb 0.54 -3.90 -0.10 0.00 0.00 0.00 0.00 19.45 15.99 3kp0 n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kp0 s HIS 451 N -3.36 3.18 0.00 0.00 5.04 -1.26 -4.25 115.29 114.64 3kp0 s HIS 451 Ca 0.30 0.15 0.00 0.00 -1.54 0.00 0.00 55.06 53.97 3kp0 s HIS 451 Cb -0.13 -1.84 0.00 0.00 0.04 0.00 0.00 32.58 30.64 3kp0 s HIS 451 CO 0.74 0.40 0.00 0.34 -2.34 0.00 0.00 174.74 173.88 3kp0 n PHE 452 N 2.41 0.00 -0.23 3.88 7.35 -1.26 -5.04 117.46 124.56 3kp0 n PHE 452 Ca -0.18 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.21 3kp0 n PHE 452 Cb 0.53 -0.06 0.28 0.00 0.35 0.00 0.00 39.48 40.59 3kp0 n PHE 452 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kp0 n GLY 453 N 2.37 -3.84 3.50 7.13 0.00 -1.26 -4.78 105.19 108.31 3kp0 n GLY 453 Ca 0.00 -1.24 -0.59 0.00 0.00 0.00 0.00 46.02 44.19 3kp0 n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kp0 n TYR 454 N -5.73 1.59 -3.90 1.61 9.36 -1.26 -4.93 117.16 113.91 3kp0 n TYR 454 Ca 0.13 0.66 -0.30 0.00 3.32 0.00 0.00 57.90 61.70 3kp0 n TYR 454 Cb 0.57 -2.38 -0.15 0.00 -0.63 0.00 0.00 39.34 36.75 3kp0 n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kp0 s ASN 455 N 5.21 4.33 -0.77 2.98 2.47 -1.26 -4.77 114.94 123.13 3kp0 s ASN 455 Ca 1.10 -1.78 -0.26 0.00 0.42 0.00 0.00 52.86 52.33 3kp0 s ASN 455 Cb -1.24 -1.26 0.01 0.00 -1.45 0.00 0.00 41.25 37.31 3kp0 s ASN 455 CO 0.65 -0.37 1.58 0.21 -3.72 0.00 0.00 177.10 175.45 3kp0 s ASN 456 N 1.26 5.80 -0.18 -4.21 3.84 0.29 -4.74 114.94 116.99 3kp0 s ASN 456 Ca 0.07 -0.41 0.15 0.00 0.21 0.00 0.00 52.86 52.89 3kp0 s ASN 456 Cb -0.18 -2.55 -0.22 0.00 -0.55 0.00 0.00 41.25 37.74 3kp0 s ASN 456 CO -0.14 -2.08 0.04 0.52 -2.79 0.00 0.00 177.10 172.65 3kp0 n VAL 457 N 6.93 1.26 -0.18 -5.21 0.31 -1.26 -4.45 118.33 115.73 3kp0 n VAL 457 Ca 0.19 -0.76 -0.02 0.00 -0.01 0.00 0.00 64.34 63.74 3kp0 n VAL 457 Cb 0.50 -0.57 0.05 0.00 -0.91 0.00 0.00 33.84 32.91 3kp0 n VAL 457 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kp0 h LYS 458 N 0.00 0.00 -0.98 5.55 3.64 -1.86 -2.42 116.57 120.51 3kp0 h LYS 458 Ca -0.50 -0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.19 3kp0 h LYS 458 Cb 2.11 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.74 3kp0 h LYS 458 CO 0.02 0.00 0.16 0.00 -2.27 0.00 0.00 179.45 177.37 3kp0 n GLN 459 N -5.38 -0.07 0.02 1.90 10.64 -1.26 -0.17 117.38 123.06 3kp0 n GLN 459 Ca 0.06 1.43 -0.12 0.00 -1.83 0.00 0.00 57.00 56.54 3kp0 n GLN 459 Cb 0.29 -2.36 -0.14 0.00 -0.86 0.00 0.00 30.24 27.17 3kp0 n GLN 459 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 3kp0 h TYR 460 N 0.00 0.20 -1.56 2.61 0.05 -1.76 -3.46 116.97 113.05 3kp0 h TYR 460 Ca 0.66 -0.14 0.11 0.00 0.05 0.00 0.00 58.73 59.41 3kp0 h TYR 460 Cb 1.50 -0.01 -0.21 0.00 1.01 0.00 0.00 36.73 39.02 3kp0 h TYR 460 CO -0.36 1.21 -0.06 0.34 -1.05 0.00 0.00 178.16 178.24 3kp0 s ASP 461 N -6.57 -1.03 0.53 3.88 -1.08 0.76 -5.03 116.67 108.14 3kp0 s ASP 461 Ca -0.07 1.25 0.31 0.00 -0.52 0.00 0.00 52.55 53.51 3kp0 s ASP 461 Cb 0.08 2.11 1.42 0.00 -1.46 0.00 0.00 42.92 45.06 3kp0 s ASP 461 CO 0.83 -0.20 2.02 -0.33 0.52 0.00 0.00 175.17 178.01 3kp0 h GLU 462 N 7.89 0.00 0.03 4.34 3.07 -1.78 -3.03 114.58 125.09 3kp0 h GLU 462 Ca -0.18 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.47 3kp0 h GLU 462 Cb 1.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 3kp0 h GLU 462 CO 0.11 0.09 -0.96 0.00 -1.40 0.00 0.00 179.01 176.86 3kp0 h ALA 463 N 1.91 0.42 -0.00 3.43 0.00 -1.93 -3.31 119.26 119.77 3kp0 h ALA 463 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3kp0 h ALA 463 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kp0 h ALA 463 CO 0.01 0.96 -0.02 1.28 0.00 0.00 0.00 179.25 181.49 3kp0 n LEU 464 N -3.60 0.07 -0.26 0.00 4.32 -1.14 -4.34 117.00 112.06 3kp0 n LEU 464 Ca -0.04 0.19 0.19 0.00 -0.02 0.00 0.00 56.01 56.33 3kp0 n LEU 464 Cb 0.86 -0.21 0.36 0.00 -1.62 0.00 0.00 43.42 42.81 3kp0 n LEU 464 CO 0.49 0.01 0.73 0.55 -1.22 0.00 0.00 177.39 177.96 3kp0 n VAL 465 N -1.17 -0.32 1.07 4.08 3.14 -1.25 0.10 118.33 123.98 3kp0 n VAL 465 Ca 0.16 1.63 0.12 0.00 -2.96 0.00 0.00 64.34 63.29 3kp0 n VAL 465 Cb 0.22 -2.52 0.25 0.00 -1.06 0.00 0.00 33.84 30.72 3kp0 n VAL 465 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3kp0 n SER 466 N -4.89 2.57 -3.11 6.55 3.41 -1.26 -4.34 113.62 112.54 3kp0 n SER 466 Ca 0.25 -1.85 -0.18 0.00 -0.26 0.00 0.00 58.87 56.83 3kp0 n SER 466 Cb 0.83 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 3kp0 n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kp0 n GLU 467 N 0.99 1.25 -0.29 4.33 -0.58 0.28 -4.99 120.64 121.64 3kp0 n GLU 467 Ca 0.16 -3.54 0.26 0.00 -0.42 0.00 0.00 57.16 53.62 3kp0 n GLU 467 Cb 0.52 -1.73 0.60 0.00 -0.57 0.00 0.00 31.44 30.25 3kp0 n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kp0 h PRO 468 N 2.99 0.24 0.00 3.49 0.11 -1.70 -0.53 132.00 136.60 3kp0 h PRO 468 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3kp0 h PRO 468 Cb 0.94 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3kp0 h PRO 468 CO 0.54 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 3kp0 n SER 469 N -4.45 0.18 0.00 -2.05 3.41 -1.26 -2.22 113.62 107.23 3kp0 n SER 469 Ca 0.23 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 3kp0 n SER 469 Cb 0.94 -0.58 0.57 0.00 -0.26 0.00 0.00 64.21 64.88 3kp0 n SER 469 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kp0 n LYS 470 N -1.70 0.07 0.32 4.33 5.02 -0.21 -1.46 118.16 124.54 3kp0 n LYS 470 Ca 0.04 0.06 0.20 0.00 -2.02 0.00 0.00 58.31 56.58 3kp0 n LYS 470 Cb 0.21 -1.50 1.08 0.00 -0.02 0.00 0.00 35.03 34.80 3kp0 n LYS 470 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kp0 h LEU 471 N 0.00 0.00 -1.95 -0.35 -0.00 -1.64 -3.16 115.31 108.21 3kp0 h LEU 471 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3kp0 h LEU 471 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 3kp0 h LEU 471 CO 0.00 0.01 0.00 2.30 -0.00 0.00 0.00 178.44 180.75 3kp0 n ILE 472 N -3.26 0.52 -3.20 1.22 -5.35 -0.53 -5.01 119.36 103.74 3kp0 n ILE 472 Ca -0.03 -0.64 -0.14 0.00 -0.27 0.00 0.00 62.75 61.67 3kp0 n ILE 472 Cb 0.11 0.82 0.07 0.00 -1.74 0.00 0.00 39.64 38.90 3kp0 n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kp0 n ASP 473 N -0.26 -3.11 -0.01 7.28 8.00 -1.00 -4.86 116.55 122.59 3kp0 n ASP 473 Ca 0.00 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.94 3kp0 n ASP 473 Cb 0.23 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 3kp0 n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kp0 n GLY 474 N -1.15 0.61 3.98 0.44 0.00 -0.73 -4.92 105.19 103.42 3kp0 n GLY 474 Ca -0.20 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.28 3kp0 n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp0 h THR 476 N -0.92 0.00 0.00 0.00 1.35 -1.93 0.72 112.91 112.12 3kp0 h THR 476 Ca -0.37 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.27 3kp0 h THR 476 Cb 1.25 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3kp0 h THR 476 CO 0.36 0.00 -0.26 -0.07 -0.25 0.00 0.00 175.52 175.30 3kp0 h LEU 477 N 0.00 0.00 0.00 3.87 3.38 -1.97 -3.10 115.31 117.49 3kp0 h LEU 477 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3kp0 h LEU 477 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3kp0 h LEU 477 CO 0.00 0.26 -2.26 -0.62 0.09 0.00 0.00 178.44 175.91 3kp0 n GLU 478 N -3.62 0.68 -3.71 1.13 4.71 0.07 -4.84 120.64 115.06 3kp0 n GLU 478 Ca -0.01 0.04 -0.28 0.00 -0.01 0.00 0.00 57.16 56.90 3kp0 n GLU 478 Cb 0.39 -1.57 -0.12 0.00 -1.01 0.00 0.00 31.44 29.13 3kp0 n GLU 478 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kp0 s VAL 479 N -2.53 1.84 0.40 2.62 1.01 -0.20 -4.97 120.40 118.56 3kp0 s VAL 479 Ca -0.09 -3.49 0.09 0.00 0.00 0.00 0.00 61.98 58.49 3kp0 s VAL 479 Cb 0.07 -2.23 0.30 0.00 0.00 0.00 0.00 36.38 34.52 3kp0 s VAL 479 CO 0.83 -1.06 1.98 -0.65 0.00 0.00 0.00 175.10 176.20 3kp0 h PRO 480 N 5.68 0.57 0.00 2.72 0.11 -1.83 -0.59 132.00 138.66 3kp0 h PRO 480 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kp0 h PRO 480 Cb 0.83 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3kp0 h PRO 480 CO 0.57 0.38 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 3kp0 n GLU 481 N -4.48 0.01 0.00 1.05 4.71 -1.26 -0.09 120.64 120.58 3kp0 n GLU 481 Ca 0.09 0.47 0.15 0.00 -0.01 0.00 0.00 57.16 57.86 3kp0 n GLU 481 Cb 0.26 -1.53 0.72 0.00 -1.01 0.00 0.00 31.44 29.89 3kp0 n GLU 481 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kp0 n LYS 482 N -1.54 1.03 -2.50 3.49 5.02 -0.23 -4.85 118.16 118.57 3kp0 n LYS 482 Ca 0.00 -0.31 -0.43 0.00 -2.02 0.00 0.00 58.31 55.55 3kp0 n LYS 482 Cb 0.03 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 3kp0 n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kp0 s ILE 483 N -2.19 4.37 -0.20 -0.18 1.01 0.87 -4.96 121.20 119.92 3kp0 s ILE 483 Ca 0.38 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 62.38 3kp0 s ILE 483 Cb 0.21 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 3kp0 s ILE 483 CO 0.40 -0.24 1.41 -0.69 0.00 0.00 0.00 174.94 175.82 3kp0 s VAL 484 N 3.61 4.00 -0.28 2.92 1.01 -1.26 -5.00 120.40 125.41 3kp0 s VAL 484 Ca 0.51 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 3kp0 s VAL 484 Cb -0.18 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3kp0 s VAL 484 CO 0.14 -0.27 0.29 -0.47 0.00 0.00 0.00 175.10 174.80 3kp0 s TYR 485 N 4.25 3.23 -0.08 5.22 5.04 -1.26 -5.07 117.35 128.68 3kp0 s TYR 485 Ca 0.62 0.26 -0.13 0.00 -2.44 0.00 0.00 57.07 55.38 3kp0 s TYR 485 Cb -0.22 -2.49 -0.05 0.00 0.35 0.00 0.00 41.96 39.55 3kp0 s TYR 485 CO 0.23 -0.21 0.32 0.42 -1.34 0.00 0.00 175.55 174.97 3kp0 s ILE 486 N 1.93 5.22 0.00 3.14 -1.09 -1.26 -5.03 121.20 124.11 3kp0 s ILE 486 Ca 0.11 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 3kp0 s ILE 486 Cb -0.16 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 3kp0 s ILE 486 CO 0.10 0.51 0.00 -0.67 -1.23 0.00 0.00 174.94 173.66 3kp0 n ASP 487 N 2.51 0.00 -4.05 3.58 2.03 -1.26 -4.56 116.55 114.79 3kp0 n ASP 487 Ca -0.14 0.28 -0.12 0.00 0.52 0.00 0.00 54.79 55.33 3kp0 n ASP 487 Cb 0.53 -0.42 -0.11 0.00 -0.72 0.00 0.00 41.12 40.39 3kp0 n ASP 487 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3kp0 s GLU 488 N -0.85 0.51 0.00 -0.67 0.41 -1.26 -3.78 118.70 113.07 3kp0 s GLU 488 Ca 0.00 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 3kp0 s GLU 488 Cb 0.00 -0.21 0.00 0.00 -1.78 0.00 0.00 34.13 32.14 3kp0 s GLU 488 CO 0.00 0.03 0.44 1.28 -0.49 0.00 0.00 175.26 176.51 3kp0 n LEU 489 N 1.39 0.81 -3.95 1.80 4.77 -1.26 -5.00 117.00 115.56 3kp0 n LEU 489 Ca -0.22 -0.81 -0.23 0.00 -0.03 0.00 0.00 56.01 54.72 3kp0 n LEU 489 Cb 0.55 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.48 3kp0 n LEU 489 CO 0.21 0.20 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.41 3kp0 s ASP 490 N -0.13 1.45 0.19 -1.43 -1.08 -1.26 -5.05 116.67 109.36 3kp0 s ASP 490 Ca 0.00 -0.22 0.15 0.00 -0.52 0.00 0.00 52.55 51.96 3kp0 s ASP 490 Cb 0.00 -0.66 -0.02 0.00 -1.46 0.00 0.00 42.92 40.78 3kp0 s ASP 490 CO 0.00 -0.02 1.21 -0.33 0.52 0.00 0.00 175.17 176.55 3kp0 h GLU 491 N 7.19 0.00 0.00 4.34 5.08 -2.01 -3.37 114.58 125.80 3kp0 h GLU 491 Ca -0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3kp0 h GLU 491 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kp0 h GLU 491 CO 0.46 0.45 -1.63 0.09 -1.00 0.00 0.00 179.01 177.37 3kp0 n ASN 492 N -3.11 1.93 -4.08 1.42 4.13 -1.26 -4.76 115.26 109.54 3kp0 n ASN 492 Ca -0.02 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.89 3kp0 n ASN 492 Cb 0.78 1.55 -0.09 0.00 -1.54 0.00 0.00 39.78 40.49 3kp0 n ASN 492 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kp0 s ASP 493 N -3.62 5.48 0.30 6.41 2.15 -1.26 -4.89 116.67 121.23 3kp0 s ASP 493 Ca -0.05 -3.33 -0.19 0.00 0.43 0.00 0.00 52.55 49.41 3kp0 s ASP 493 Cb 0.08 -1.85 0.03 0.00 -0.30 0.00 0.00 42.92 40.88 3kp0 s ASP 493 CO 0.56 -0.26 0.72 0.54 -0.17 0.00 0.00 175.17 176.56 3kp0 s ASN 494 N 0.08 -0.18 0.49 -0.34 2.20 -1.26 -4.17 114.94 111.76 3kp0 s ASN 494 Ca 0.22 -0.75 0.20 0.00 -0.94 0.00 0.00 52.86 51.59 3kp0 s ASN 494 Cb -0.13 0.75 1.24 0.00 -2.00 0.00 0.00 41.25 41.11 3kp0 s ASN 494 CO -0.08 -1.42 2.05 1.62 -2.94 0.00 0.00 177.10 176.33 3kp0 h VAL 495 N 2.01 0.89 0.00 3.54 3.04 -1.92 -2.69 116.25 121.12 3kp0 h VAL 495 Ca -0.22 -0.50 -0.12 0.00 -1.01 0.00 0.00 66.70 64.85 3kp0 h VAL 495 Cb 1.25 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 3kp0 h VAL 495 CO 0.28 0.13 -0.57 0.78 -1.01 0.00 0.00 177.57 177.18 3kp0 h ASN 496 N 0.00 0.00 -0.02 3.17 2.35 -1.97 -1.40 115.58 117.71 3kp0 h ASN 496 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3kp0 h ASN 496 Cb 0.27 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.65 3kp0 h ASN 496 CO 0.02 0.57 -0.47 0.58 -1.65 0.00 0.00 177.43 176.47 3kp0 h VAL 497 N 0.00 1.45 -0.58 2.81 2.07 -1.83 -2.57 116.25 117.60 3kp0 h VAL 497 Ca -0.01 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.55 3kp0 h VAL 497 Cb 1.17 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.46 3kp0 h VAL 497 CO 0.07 0.57 0.38 0.03 0.02 0.00 0.00 177.57 178.64 3kp0 h ARG 498 N -0.18 0.76 -0.33 1.57 3.08 -1.46 0.78 114.38 118.61 3kp0 h ARG 498 Ca -0.05 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 3kp0 h ARG 498 Cb 1.17 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3kp0 h ARG 498 CO 0.09 0.51 -0.38 0.52 -1.07 0.00 0.00 179.97 179.64 3kp0 h MET 499 N 0.78 0.78 -0.59 0.04 2.86 -1.35 -3.08 114.93 114.36 3kp0 h MET 499 Ca 0.21 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3kp0 h MET 499 Cb -0.08 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3kp0 h MET 499 CO -0.05 1.03 0.29 1.49 1.06 0.00 0.00 176.91 180.73 3kp0 h GLU 500 N 0.64 0.85 -0.91 1.72 4.22 -1.02 -3.13 114.58 116.95 3kp0 h GLU 500 Ca 0.05 -0.12 0.26 0.00 0.08 0.00 0.00 59.36 59.63 3kp0 h GLU 500 Cb 0.94 -0.15 -0.15 0.00 0.50 0.00 0.00 28.75 29.88 3kp0 h GLU 500 CO 0.09 0.69 0.25 1.49 -2.18 0.00 0.00 179.01 179.34 3kp0 h GLU 501 N 0.80 0.17 -2.28 1.92 4.22 -0.76 -2.63 114.58 116.02 3kp0 h GLU 501 Ca 0.20 -0.01 -0.60 0.00 0.08 0.00 0.00 59.36 59.04 3kp0 h GLU 501 Cb 0.11 -0.04 -0.42 0.00 0.50 0.00 0.00 28.75 28.91 3kp0 h GLU 501 CO -0.03 0.11 -0.58 0.25 -2.18 0.00 0.00 179.01 176.58 3kp0 n THR 502 N -5.25 3.09 0.09 0.32 -2.24 -1.18 -4.75 114.28 104.36 3kp0 n THR 502 Ca 0.23 -5.56 -0.13 0.00 -2.27 0.00 0.00 64.05 56.33 3kp0 n THR 502 Cb 0.76 -1.50 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 3kp0 n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kp0 h LYS 503 N 3.17 -0.23 0.00 -0.78 1.57 -1.52 -3.30 116.57 115.48 3kp0 h LYS 503 Ca 0.15 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kp0 h LYS 503 Cb 0.52 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kp0 h LYS 503 CO 0.83 0.09 0.00 -0.85 -0.57 0.00 0.00 179.45 178.95 3kp0 n GLU 504 N -5.05 0.00 0.06 3.15 0.28 -1.26 -0.29 120.64 117.53 3kp0 n GLU 504 Ca -0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.82 3kp0 n GLU 504 Cb 0.23 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.97 3kp0 n GLU 504 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 3kp0 h PHE 505 N 0.00 0.13 -0.23 -1.84 -1.00 -1.94 -3.32 116.94 108.73 3kp0 h PHE 505 Ca 0.00 -0.09 -0.18 0.00 2.81 0.00 0.00 57.97 60.51 3kp0 h PHE 505 Cb 0.00 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.49 3kp0 h PHE 505 CO 0.00 1.08 0.04 0.54 -1.61 0.00 0.00 178.31 178.36 3kp0 n ARG 506 N -3.37 1.59 -2.52 1.51 1.74 0.60 -4.43 116.66 111.78 3kp0 n ARG 506 Ca -0.04 -0.87 -0.16 0.00 -0.77 0.00 0.00 57.85 56.01 3kp0 n ARG 506 Cb 0.97 -1.52 0.02 0.00 -1.02 0.00 0.00 32.46 30.91 3kp0 n ARG 506 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kp0 n SER 509 N 1.43 3.10 -3.44 0.55 3.41 -1.25 -5.10 113.62 112.32 3kp0 n SER 509 Ca 0.23 -3.08 -0.11 0.00 -0.26 0.00 0.00 58.87 55.65 3kp0 n SER 509 Cb 0.63 -0.46 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 3kp0 n SER 509 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kp0 n MET 510 N -0.41 0.60 -3.56 4.33 2.81 -1.26 -3.90 117.12 115.73 3kp0 n MET 510 Ca 0.24 -1.54 -0.17 0.00 -1.81 0.00 0.00 57.70 54.43 3kp0 n MET 510 Cb 0.79 -0.20 -0.06 0.00 -0.71 0.00 0.00 33.22 33.04 3kp0 n MET 510 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3kp0 s ILE 511 N -1.08 0.00 0.20 2.02 2.07 -1.10 -4.83 121.20 118.48 3kp0 s ILE 511 Ca 0.32 -0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.41 3kp0 s ILE 511 Cb -0.02 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.59 3kp0 s ILE 511 CO 0.21 -0.01 0.45 -1.59 -1.91 0.00 0.00 174.94 172.09 3kp0 s LYS 512 N -0.80 1.37 0.61 3.50 -2.85 -1.26 -2.29 119.74 118.01 3kp0 s LYS 512 Ca -0.08 -1.05 -0.18 0.00 -1.00 0.00 0.00 55.97 53.66 3kp0 s LYS 512 Cb -0.01 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 3kp0 s LYS 512 CO 0.08 -0.56 1.17 -1.25 0.10 0.00 0.00 175.35 174.89 3kp0 s PRO 513 N -3.94 2.95 0.06 1.78 0.04 -1.26 -4.61 135.00 130.02 3kp0 s PRO 513 Ca 0.15 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 3kp0 s PRO 513 Cb 0.00 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3kp0 s PRO 513 CO 0.01 -1.19 0.27 -1.83 0.04 0.00 0.00 177.00 174.30 3kp0 s GLU 514 N -3.52 0.81 -0.14 4.56 -1.05 -1.26 -0.79 118.70 117.31 3kp0 s GLU 514 Ca 0.74 -0.62 -0.06 0.00 -0.15 0.00 0.00 54.97 54.88 3kp0 s GLU 514 Cb -0.27 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 33.70 3kp0 s GLU 514 CO 0.34 -0.26 -0.18 1.33 0.95 0.00 0.00 175.26 177.44 3kp0 n VAL 515 N 0.44 0.80 -0.00 1.83 0.24 -1.26 -4.87 118.33 115.49 3kp0 n VAL 515 Ca -0.18 -0.22 -0.03 0.00 -2.04 0.00 0.00 64.34 61.87 3kp0 n VAL 515 Cb 0.60 -1.59 -0.01 0.00 -1.47 0.00 0.00 33.84 31.37 3kp0 n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kp0 n GLU 516 N -3.53 0.09 -4.21 7.34 0.28 -1.26 -1.88 120.64 117.47 3kp0 n GLU 516 Ca -0.28 0.04 -0.35 0.00 -0.16 0.00 0.00 57.16 56.40 3kp0 n GLU 516 Cb 0.71 -0.65 -0.08 0.00 1.43 0.00 0.00 31.44 32.85 3kp0 n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kp0 s TRP 517 N -2.10 3.30 -0.36 -1.84 0.51 -1.26 -4.74 118.94 112.45 3kp0 s TRP 517 Ca -0.05 0.29 -0.38 0.00 -2.12 0.00 0.00 56.10 53.84 3kp0 s TRP 517 Cb 0.02 -1.83 -0.17 0.00 -0.81 0.00 0.00 33.47 30.68 3kp0 s TRP 517 CO 0.07 0.56 1.26 0.94 -0.51 0.00 0.00 176.95 179.27 3kp0 n GLN 518 N 2.01 0.00 -3.25 4.98 7.27 -1.26 -1.17 117.38 125.96 3kp0 n GLN 518 Ca -0.19 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.65 3kp0 n GLN 518 Cb 0.54 -1.24 0.03 0.00 2.41 0.00 0.00 30.24 31.98 3kp0 n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kp0 n ALA 519 N 3.02 -1.06 0.68 1.69 0.00 -1.26 -4.86 120.51 118.72 3kp0 n ALA 519 Ca 0.24 0.24 0.12 0.00 0.00 0.00 0.00 53.44 54.04 3kp0 n ALA 519 Cb -0.03 -3.85 0.47 0.00 0.00 0.00 0.00 19.45 16.03 3kp0 n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kp0 n ASP 520 N -2.55 0.28 0.00 0.00 5.68 -0.32 -4.91 116.55 114.74 3kp0 n ASP 520 Ca -0.06 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.77 3kp0 n ASP 520 Cb 0.59 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3kp0 n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kp0 n GLY 521 N 0.80 0.83 3.79 6.12 0.00 0.03 -4.84 105.19 111.91 3kp0 n GLY 521 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3kp0 n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kp0 s THR 522 N -3.33 4.09 0.17 2.61 2.01 -1.25 0.92 115.64 120.85 3kp0 s THR 522 Ca 0.00 1.59 -0.07 0.00 0.31 0.00 0.00 61.69 63.52 3kp0 s THR 522 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 3kp0 s THR 522 CO 0.00 -0.00 0.24 0.68 -0.69 0.00 0.00 174.62 174.85 3kp0 s VAL 523 N -1.75 0.06 -0.08 3.82 -7.23 0.31 -4.05 120.40 111.48 3kp0 s VAL 523 Ca 0.55 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 3kp0 s VAL 523 Cb -0.18 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 3kp0 s VAL 523 CO 0.23 -0.29 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.32 3kp0 s LEU 524 N -3.00 2.47 -0.14 1.32 2.96 -1.26 -1.81 118.68 119.21 3kp0 s LEU 524 Ca 0.20 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3kp0 s LEU 524 Cb 0.04 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 3kp0 s LEU 524 CO 0.02 0.25 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.91 3kp0 s LEU 525 N -0.19 2.42 -0.10 -0.68 2.96 -0.10 -4.99 118.68 118.00 3kp0 s LEU 525 Ca -0.01 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3kp0 s LEU 525 Cb -0.13 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3kp0 s LEU 525 CO 0.03 0.11 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.15 3kp0 s THR 526 N 0.65 3.05 0.12 3.68 2.01 -1.26 -1.27 115.64 122.61 3kp0 s THR 526 Ca -0.09 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 3kp0 s THR 526 Cb -0.16 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 3kp0 s THR 526 CO 0.02 0.55 0.20 0.00 -0.69 0.00 0.00 174.62 174.71 3kp0 s MET 527 N -0.07 0.97 -0.12 4.92 0.23 -0.97 -5.04 119.30 119.22 3kp0 s MET 527 Ca -0.02 -1.12 0.01 0.00 -1.03 0.00 0.00 55.69 53.53 3kp0 s MET 527 Cb -0.14 0.34 -0.01 0.00 -1.53 0.00 0.00 34.83 33.49 3kp0 s MET 527 CO 0.04 -0.32 -0.17 0.12 -2.03 0.00 0.00 175.02 172.65 3kp0 s PHE 528 N -3.93 2.72 -0.07 3.16 5.36 -1.26 -2.18 117.98 121.78 3kp0 s PHE 528 Ca 0.12 -0.82 0.06 0.00 -0.96 0.00 0.00 56.93 55.33 3kp0 s PHE 528 Cb 0.05 -1.80 -0.01 0.00 -0.34 0.00 0.00 43.02 40.92 3kp0 s PHE 528 CO -0.05 -0.30 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.65 3kp0 s LEU 529 N 0.38 2.10 0.00 6.12 1.43 -0.37 -4.98 118.68 123.37 3kp0 s LEU 529 Ca -0.13 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 3kp0 s LEU 529 Cb -0.17 -1.39 -0.12 0.00 0.03 0.00 0.00 46.19 44.55 3kp0 s LEU 529 CO 0.06 0.23 2.44 -2.65 0.23 0.00 0.00 176.35 176.66 3kp0 n PRO 530 N 3.06 1.28 -4.01 1.29 -0.02 -1.26 -0.81 135.00 134.52 3kp0 n PRO 530 Ca -0.18 -0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 60.77 3kp0 n PRO 530 Cb 0.52 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.43 3kp0 n PRO 530 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3kp0 s THR 531 N 0.83 0.00 1.07 3.45 -1.32 -1.26 -4.71 115.64 113.71 3kp0 s THR 531 Ca 0.29 -1.45 -0.12 0.00 -1.21 0.00 0.00 61.69 59.21 3kp0 s THR 531 Cb 0.14 -2.30 0.23 0.00 -1.51 0.00 0.00 72.50 69.07 3kp0 s THR 531 CO 0.00 0.00 1.06 -0.94 -2.21 0.00 0.00 174.62 172.53 3kp0 s SER 532 N -3.05 1.74 0.03 8.08 1.04 -1.25 -3.43 113.70 116.86 3kp0 s SER 532 Ca 0.24 1.64 -0.26 0.00 0.48 0.00 0.00 55.95 58.05 3kp0 s SER 532 Cb -0.00 -2.32 -0.15 0.00 0.10 0.00 0.00 66.02 63.65 3kp0 s SER 532 CO 0.11 -3.75 1.28 0.07 0.98 0.00 0.00 173.24 171.93 3kp0 h LYS 533 N -2.31 -0.92 -0.34 4.02 2.10 -1.89 0.34 116.57 117.56 3kp0 h LYS 533 Ca -0.56 0.06 0.06 0.00 -2.00 0.00 0.00 60.65 58.22 3kp0 h LYS 533 Cb 1.31 0.21 -0.08 0.00 -0.90 0.00 0.00 32.23 32.77 3kp0 h LYS 533 CO 0.49 -0.61 -0.44 -0.09 -2.00 0.00 0.00 179.45 176.80 3kp0 h ARG 534 N -1.04 -0.36 0.09 0.07 2.43 -1.99 1.13 114.38 114.71 3kp0 h ARG 534 Ca -0.10 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kp0 h ARG 534 Cb 0.73 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3kp0 h ARG 534 CO 0.16 -0.24 -0.17 0.28 -1.51 0.00 0.00 179.97 178.49 3kp0 h VAL 535 N -0.37 0.60 -0.97 0.20 2.07 -1.94 -1.92 116.25 113.92 3kp0 h VAL 535 Ca 0.12 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.87 3kp0 h VAL 535 Cb 0.60 0.60 -0.12 0.00 -1.52 0.00 0.00 31.29 30.85 3kp0 h VAL 535 CO -0.54 0.00 0.54 0.00 0.02 0.00 0.00 177.57 177.59 3kp0 h ALA 536 N 0.52 1.68 -0.14 1.67 0.00 0.16 0.13 119.26 123.27 3kp0 h ALA 536 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kp0 h ALA 536 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kp0 h ALA 536 CO -0.10 -0.27 0.03 1.49 0.00 0.00 0.00 179.25 180.41 3kp0 h GLU 537 N 0.55 0.23 -0.30 0.00 4.81 0.19 -0.61 114.58 119.45 3kp0 h GLU 537 Ca 0.61 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.63 3kp0 h GLU 537 Cb 1.15 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3kp0 h GLU 537 CO -0.48 0.39 -0.46 0.74 -0.73 0.00 0.00 179.01 178.47 3kp0 h PHE 538 N 0.03 0.95 -0.33 0.92 0.04 -0.42 -1.68 116.94 116.46 3kp0 h PHE 538 Ca 0.04 -0.31 -0.00 0.00 2.80 0.00 0.00 57.97 60.51 3kp0 h PHE 538 Cb 0.26 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3kp0 h PHE 538 CO 0.01 1.09 0.19 0.00 -0.60 0.00 0.00 178.31 179.00 3kp0 h ALA 539 N 0.86 1.72 -0.18 2.45 0.00 -0.81 -3.06 119.26 120.24 3kp0 h ALA 539 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kp0 h ALA 539 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kp0 h ALA 539 CO 0.10 0.24 -0.00 0.00 0.00 0.00 0.00 179.25 179.59 3kp0 h ALA 540 N 1.77 0.24 -0.52 0.00 0.00 -0.29 -2.83 119.26 117.62 3kp0 h ALA 540 Ca 0.12 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3kp0 h ALA 540 Cb -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.62 3kp0 h ALA 540 CO -0.02 -0.05 -0.16 0.82 0.00 0.00 0.00 179.25 179.84 3kp0 h ILE 541 N 0.06 0.44 0.09 0.00 1.08 -1.24 -2.61 117.51 115.32 3kp0 h ILE 541 Ca 0.05 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 3kp0 h ILE 541 Cb 0.39 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 3kp0 h ILE 541 CO 0.01 0.00 -0.50 -0.33 -0.69 0.00 0.00 178.15 176.64 3kp0 h GLU 542 N -0.03 -0.67 -0.91 2.37 4.39 -1.46 -0.55 114.58 117.72 3kp0 h GLU 542 Ca 0.25 0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.25 3kp0 h GLU 542 Cb 0.41 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 29.06 3kp0 h GLU 542 CO -0.55 -0.45 0.26 0.74 -1.16 0.00 0.00 179.01 177.85 3kp0 h PHE 543 N -0.70 0.38 -0.41 4.33 0.04 -1.33 -0.25 116.94 119.00 3kp0 h PHE 543 Ca -0.00 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3kp0 h PHE 543 Cb 0.71 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 3kp0 h PHE 543 CO -0.46 -0.25 0.18 0.00 -0.60 0.00 0.00 178.31 177.18 3kp0 h ALA 544 N 1.83 0.53 0.01 2.45 0.00 -0.99 -1.70 119.26 121.39 3kp0 h ALA 544 Ca 0.59 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.40 3kp0 h ALA 544 Cb 1.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3kp0 h ALA 544 CO -0.69 0.11 -0.16 0.87 0.00 0.00 0.00 179.25 179.38 3kp0 h LYS 545 N 0.52 -0.26 -0.27 0.00 1.79 0.48 -1.25 116.57 117.58 3kp0 h LYS 545 Ca 0.14 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.70 3kp0 h LYS 545 Cb 0.15 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3kp0 h LYS 545 CO -0.01 -0.17 0.19 0.87 -1.08 0.00 0.00 179.45 179.24 3kp0 h LYS 546 N -0.27 0.01 -0.05 3.15 1.79 -1.10 0.15 116.57 120.26 3kp0 h LYS 546 Ca 0.05 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3kp0 h LYS 546 Cb 0.33 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3kp0 h LYS 546 CO -0.15 0.01 0.00 -1.33 -1.08 0.00 0.00 179.45 176.90 3kp0 n MET 547 N -4.46 1.12 -1.00 3.15 2.81 -0.49 -4.87 117.12 113.38 3kp0 n MET 547 Ca 0.03 -0.19 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 3kp0 n MET 547 Cb 0.34 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 3kp0 n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kp0 n ASN 548 N -0.44 -3.20 -4.83 7.83 3.02 0.53 -5.04 115.26 113.13 3kp0 n ASN 548 Ca 0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.29 3kp0 n ASN 548 Cb 0.07 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.46 3kp0 n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kp0 s LEU 549 N 0.00 3.73 0.35 3.41 1.43 -1.06 -4.34 118.68 122.19 3kp0 s LEU 549 Ca 0.00 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 3kp0 s LEU 549 Cb 0.00 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.63 3kp0 s LEU 549 CO 0.00 -0.53 0.00 -1.61 0.23 0.00 0.00 176.35 174.44 3kp0 s GLU 550 N -3.77 1.76 -1.16 1.70 2.02 0.12 -4.50 118.70 114.87 3kp0 s GLU 550 Ca 0.60 -1.96 -0.01 0.00 0.02 0.00 0.00 54.97 53.62 3kp0 s GLU 550 Cb -0.10 -1.29 0.01 0.00 0.10 0.00 0.00 34.13 32.85 3kp0 s GLU 550 CO 0.25 -0.06 0.07 0.39 0.02 0.00 0.00 175.26 175.94 3kp0 n GLU 551 N -0.78 -2.40 -1.83 1.61 1.02 -1.26 -0.22 120.64 116.79 3kp0 n GLU 551 Ca -0.04 0.64 -0.42 0.00 -0.02 0.00 0.00 57.16 57.32 3kp0 n GLU 551 Cb 0.66 -5.26 -0.03 0.00 -0.02 0.00 0.00 31.44 26.78 3kp0 n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kp0 s VAL 552 N -2.71 2.33 -0.01 2.62 1.01 -1.26 -4.67 120.40 117.71 3kp0 s VAL 552 Ca 0.05 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 3kp0 s VAL 552 Cb -0.03 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3kp0 s VAL 552 CO 0.06 0.02 0.29 -1.83 0.00 0.00 0.00 175.10 173.64 3kp0 s GLU 553 N 1.23 0.66 0.13 2.72 -1.05 -0.79 -5.03 118.70 116.57 3kp0 s GLU 553 Ca 0.73 -0.23 -0.25 0.00 -0.15 0.00 0.00 54.97 55.07 3kp0 s GLU 553 Cb -0.47 0.29 -0.07 0.00 -0.44 0.00 0.00 34.13 33.44 3kp0 s GLU 553 CO 0.32 -0.18 0.78 0.08 0.95 0.00 0.00 175.26 177.20 3kp0 s VAL 554 N -1.40 4.47 0.00 1.83 1.01 -1.26 -1.75 120.40 123.30 3kp0 s VAL 554 Ca -0.13 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3kp0 s VAL 554 Cb -0.05 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3kp0 s VAL 554 CO 0.04 0.48 0.03 2.30 0.00 0.00 0.00 175.10 177.95 3kp0 n ILE 555 N 1.95 0.00 -3.65 2.22 -5.35 -0.72 -4.96 119.36 108.85 3kp0 n ILE 555 Ca -0.05 -0.34 -0.05 0.00 -0.27 0.00 0.00 62.75 62.04 3kp0 n ILE 555 Cb 0.49 1.03 -0.07 0.00 -1.74 0.00 0.00 39.64 39.35 3kp0 n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kp0 s ASN 556 N -0.61 -0.83 -0.02 7.28 2.47 -1.24 -4.77 114.94 117.23 3kp0 s ASN 556 Ca 0.00 1.35 0.07 0.00 0.42 0.00 0.00 52.86 54.70 3kp0 s ASN 556 Cb 0.00 1.65 -0.02 0.00 -1.45 0.00 0.00 41.25 41.43 3kp0 s ASN 556 CO 0.00 -0.22 -0.22 -0.13 -3.72 0.00 0.00 177.10 172.80 3kp0 s ARG 557 N 2.28 2.20 -0.03 0.43 0.52 -1.26 -1.42 118.95 121.66 3kp0 s ARG 557 Ca -0.07 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 3kp0 s ARG 557 Cb -0.10 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.26 3kp0 s ARG 557 CO -0.17 0.57 -0.03 -1.21 0.02 0.00 0.00 175.30 174.48 3kp0 s GLU 558 N -0.72 0.59 -0.12 3.54 2.02 -0.59 -5.01 118.70 118.42 3kp0 s GLU 558 Ca 0.11 -0.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 3kp0 s GLU 558 Cb -0.10 -0.66 -0.02 0.00 0.10 0.00 0.00 34.13 33.45 3kp0 s GLU 558 CO -0.00 -0.07 1.27 0.08 0.02 0.00 0.00 175.26 176.55 3kp0 s VAL 559 N 0.81 4.21 -0.08 2.63 1.01 -1.26 -1.41 120.40 126.31 3kp0 s VAL 559 Ca -0.10 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 3kp0 s VAL 559 Cb -0.13 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 3kp0 s VAL 559 CO -0.00 -0.08 -0.02 0.24 0.00 0.00 0.00 175.10 175.23 3kp0 h MET 560 N 7.99 0.00 -2.89 2.72 0.00 -1.88 -3.48 114.93 117.39 3kp0 h MET 560 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 59.70 59.28 3kp0 h MET 560 Cb 1.13 0.00 -0.22 0.00 0.00 0.00 0.00 31.60 32.51 3kp0 h MET 560 CO 0.94 0.00 -0.26 -1.14 0.00 0.00 0.00 176.91 176.45 3kp0 s GLN 561 N -1.51 0.56 0.01 1.72 -0.44 -1.21 -4.98 119.66 113.81 3kp0 s GLN 561 Ca -0.02 0.20 -0.03 0.00 -2.50 0.00 0.00 55.36 53.01 3kp0 s GLN 561 Cb 0.00 0.26 -0.01 0.00 -1.64 0.00 0.00 33.01 31.63 3kp0 s GLN 561 CO 0.03 -0.12 0.69 -1.91 0.50 0.00 0.00 175.29 174.48 3kp0 n GLU 562 N 2.10 -0.04 0.08 1.67 2.13 -1.26 -1.90 120.64 123.41 3kp0 n GLU 562 Ca -0.17 0.69 -0.14 0.00 0.66 0.00 0.00 57.16 58.20 3kp0 n GLU 562 Cb 0.57 -1.03 -0.14 0.00 0.27 0.00 0.00 31.44 31.11 3kp0 n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kp0 h ALA 563 N -0.51 0.22 -0.39 4.31 0.00 -1.98 -3.34 119.26 117.57 3kp0 h ALA 563 Ca 0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 54.91 53.83 3kp0 h ALA 563 Cb 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kp0 h ALA 563 CO -0.09 1.10 -0.24 0.93 0.00 0.00 0.00 179.25 180.95 3kp0 h GLU 564 N 0.05 0.79 -1.14 0.00 4.39 -1.72 -3.39 114.58 113.58 3kp0 h GLU 564 Ca -0.14 -0.33 0.35 0.00 0.34 0.00 0.00 59.36 59.58 3kp0 h GLU 564 Cb 1.94 -0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 30.40 3kp0 h GLU 564 CO 0.17 0.95 0.95 0.20 -1.16 0.00 0.00 179.01 180.12 3kp0 s GLY 565 N -3.85 -0.38 -0.10 -3.84 0.00 -0.89 -4.10 107.32 94.16 3kp0 s GLY 565 Ca -0.09 1.27 -0.07 0.00 0.00 0.00 0.00 44.72 45.83 3kp0 s GLY 565 CO 0.84 0.34 0.25 -1.59 0.00 0.00 0.00 173.10 172.94 3kp0 s THR 566 N -2.13 -0.02 -0.05 0.90 2.01 0.00 -2.68 115.64 113.67 3kp0 s THR 566 Ca 0.13 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.02 3kp0 s THR 566 Cb 0.04 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 3kp0 s THR 566 CO -0.05 0.04 0.59 -0.60 -0.69 0.00 0.00 174.62 173.91 3kp0 s ARG 567 N 0.84 4.35 0.05 4.92 3.52 -0.50 -1.24 118.95 130.89 3kp0 s ARG 567 Ca -0.06 0.69 0.07 0.00 -0.13 0.00 0.00 55.73 56.30 3kp0 s ARG 567 Cb -0.07 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3kp0 s ARG 567 CO -0.05 0.24 -0.19 0.42 -0.81 0.00 0.00 175.30 174.91 3kp0 s ILE 568 N 0.25 1.54 0.01 4.11 -1.09 -0.93 -1.54 121.20 123.57 3kp0 s ILE 568 Ca 0.31 -1.23 0.05 0.00 -2.23 0.00 0.00 60.65 57.55 3kp0 s ILE 568 Cb -0.17 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.33 3kp0 s ILE 568 CO 0.16 0.10 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.21 3kp0 s GLU 569 N -1.33 1.07 -0.03 2.79 2.02 -0.51 -2.30 118.70 120.41 3kp0 s GLU 569 Ca 0.06 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.42 3kp0 s GLU 569 Cb -0.09 -1.06 0.02 0.00 0.10 0.00 0.00 34.13 33.10 3kp0 s GLU 569 CO 0.02 0.28 -0.03 -0.51 0.02 0.00 0.00 175.26 175.04 3kp0 s LEU 570 N -0.73 1.42 -0.14 1.80 1.02 -0.40 -1.75 118.68 119.90 3kp0 s LEU 570 Ca 0.04 -0.09 -0.06 0.00 0.02 0.00 0.00 54.13 54.04 3kp0 s LEU 570 Cb -0.07 -0.35 -0.04 0.00 0.02 0.00 0.00 46.19 45.75 3kp0 s LEU 570 CO 0.00 -0.04 0.05 -1.59 0.02 0.00 0.00 176.35 174.79 3kp0 s LYS 571 N 0.73 3.60 0.15 1.70 -2.85 -0.72 -0.92 119.74 121.44 3kp0 s LYS 571 Ca -0.09 -0.34 -0.11 0.00 -1.00 0.00 0.00 55.97 54.43 3kp0 s LYS 571 Cb -0.12 -3.07 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 3kp0 s LYS 571 CO -0.00 0.47 0.32 0.20 0.10 0.00 0.00 175.35 176.44 3kp0 s GLY 572 N -0.21 0.21 -0.18 0.59 0.00 -0.75 -1.88 107.32 105.10 3kp0 s GLY 572 Ca 0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 44.72 44.13 3kp0 s GLY 572 CO 0.01 -0.66 -0.00 -1.60 0.00 0.00 0.00 173.10 170.85 3kp0 s ARG 573 N -3.91 3.70 -0.34 2.90 3.52 0.70 -0.53 118.95 124.98 3kp0 s ARG 573 Ca 0.12 -0.49 -0.26 0.00 -0.13 0.00 0.00 55.73 54.96 3kp0 s ARG 573 Cb 0.03 -3.04 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3kp0 s ARG 573 CO -0.04 0.14 0.93 0.08 -0.81 0.00 0.00 175.30 175.60 3kp0 s VAL 574 N 0.66 4.62 -0.67 7.11 1.01 0.26 0.12 120.40 133.52 3kp0 s VAL 574 Ca -0.00 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.32 3kp0 s VAL 574 Cb -0.14 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 32.04 3kp0 s VAL 574 CO 0.02 -0.44 0.79 -0.81 0.00 0.00 0.00 175.10 174.66 3kp0 n PRO 575 N 6.64 1.41 -4.08 2.72 -0.05 -1.26 -4.75 135.00 135.63 3kp0 n PRO 575 Ca 0.07 -0.40 -0.14 0.00 -0.05 0.00 0.00 63.50 62.98 3kp0 n PRO 575 Cb 0.48 -1.48 -0.04 0.00 -0.05 0.00 0.00 33.50 32.41 3kp0 n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 3kp0 s PHE 576 N -1.01 1.01 0.43 0.54 -0.12 -1.26 -5.18 117.98 112.40 3kp0 s PHE 576 Ca 0.07 -1.26 0.06 0.00 -0.05 0.00 0.00 56.93 55.75 3kp0 s PHE 576 Cb 0.06 -0.06 -0.07 0.00 -0.63 0.00 0.00 43.02 42.32 3kp0 s PHE 576 CO 0.02 -1.13 0.01 -1.12 -0.05 0.00 0.00 175.22 172.95 3kp0 s SER 577 N -3.22 3.94 0.37 1.98 0.01 -1.26 -4.90 113.70 110.62 3kp0 s SER 577 Ca 0.30 -1.42 0.04 0.00 1.31 0.00 0.00 55.95 56.18 3kp0 s SER 577 Cb -0.00 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 3kp0 s SER 577 CO 0.19 -0.53 0.05 -0.63 0.41 0.00 0.00 173.24 172.73 3kp0 s ILE 578 N -2.74 1.27 -0.12 1.44 1.09 -0.97 -4.99 121.20 116.18 3kp0 s ILE 578 Ca 0.29 -2.00 0.01 0.00 -1.10 0.00 0.00 60.65 57.86 3kp0 s ILE 578 Cb 0.08 -2.72 0.02 0.00 -1.06 0.00 0.00 42.46 38.78 3kp0 s ILE 578 CO 0.15 0.00 -0.15 -0.62 -0.10 0.00 0.00 174.94 174.22 3kp0 s ASP 579 N -3.58 2.50 0.62 3.58 -1.08 -1.26 -2.72 116.67 114.72 3kp0 s ASP 579 Ca 0.32 -0.44 0.40 0.00 -0.52 0.00 0.00 52.55 52.30 3kp0 s ASP 579 Cb 0.08 -1.11 1.97 0.00 -1.46 0.00 0.00 42.92 42.40 3kp0 s ASP 579 CO 0.15 0.00 2.21 0.40 0.52 0.00 0.00 175.17 178.45 3kp0 h ILE 580 N 5.97 0.02 0.00 4.11 1.08 -1.89 -2.84 117.51 123.96 3kp0 h ILE 580 Ca -0.32 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 3kp0 h ILE 580 Cb 1.17 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 3kp0 h ILE 580 CO 0.50 0.00 -0.50 0.59 -0.69 0.00 0.00 178.15 178.05 3kp0 n ASN 581 N -3.10 0.50 -1.03 1.72 3.02 -1.26 -3.76 115.26 111.35 3kp0 n ASN 581 Ca -0.01 -0.22 -0.02 0.00 -0.03 0.00 0.00 54.58 54.29 3kp0 n ASN 581 Cb 0.17 0.24 0.20 0.00 -0.61 0.00 0.00 39.78 39.78 3kp0 n ASN 581 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kp0 n SER 582 N -1.53 2.25 -4.60 6.41 3.41 -1.07 -4.98 113.62 113.52 3kp0 n SER 582 Ca 0.05 -3.83 -0.38 0.00 -0.26 0.00 0.00 58.87 54.45 3kp0 n SER 582 Cb 0.34 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 3kp0 n SER 582 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kp0 s LEU 583 N -3.26 4.03 -0.68 1.04 1.43 -1.24 -4.97 118.68 115.04 3kp0 s LEU 583 Ca 0.43 0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.35 3kp0 s LEU 583 Cb 0.40 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3kp0 s LEU 583 CO -0.02 -0.09 1.34 -0.69 0.23 0.00 0.00 176.35 177.12 3kp0 s VAL 584 N 1.84 3.74 -0.21 -1.59 1.01 -1.26 -4.97 120.40 118.96 3kp0 s VAL 584 Ca 0.10 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.59 3kp0 s VAL 584 Cb -0.16 -4.73 0.05 0.00 0.00 0.00 0.00 36.38 31.54 3kp0 s VAL 584 CO 0.10 -1.60 -0.09 -0.63 0.00 0.00 0.00 175.10 172.89 3kp0 s ILE 585 N 5.98 1.60 0.00 2.22 1.01 -1.26 -5.13 121.20 125.62 3kp0 s ILE 585 Ca 0.42 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3kp0 s ILE 585 Cb -0.09 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.65 3kp0 s ILE 585 CO 0.18 0.08 0.00 -0.81 0.00 0.00 0.00 174.94 174.40 3kp0 n PRO 586 N 4.68 1.20 0.00 2.79 -0.04 -1.26 -5.28 135.00 137.09 3kp0 n PRO 586 Ca -0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 3kp0 n PRO 586 Cb 0.46 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.97 3kp0 n PRO 586 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16