#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp1 s ARG 8 N 0.00 2.33 0.52 3.23 0.52 -1.26 -5.03 118.95 119.26 3kp1 s ARG 8 Ca 0.00 -0.83 0.18 0.00 -0.52 0.00 0.00 55.73 54.56 3kp1 s ARG 8 Cb 0.00 -2.00 1.28 0.00 0.52 0.00 0.00 34.95 34.75 3kp1 s ARG 8 CO 0.00 0.35 2.10 -0.39 0.02 0.00 0.00 175.30 177.38 3kp1 h VAL 9 N 5.09 0.94 -0.34 3.52 -1.51 -2.01 -0.95 116.25 120.99 3kp1 h VAL 9 Ca -0.32 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3kp1 h VAL 9 Cb 1.17 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 3kp1 h VAL 9 CO 0.47 0.01 0.00 -0.46 -1.23 0.00 0.00 177.57 176.36 3kp1 n ASN 10 N -4.50 2.63 -4.26 4.19 6.94 -1.26 -4.88 115.26 114.12 3kp1 n ASN 10 Ca 0.01 -1.89 -0.29 0.00 -0.02 0.00 0.00 54.58 52.38 3kp1 n ASN 10 Cb 0.22 -0.22 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 3kp1 n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kp1 s GLU 11 N -1.56 1.95 0.55 -3.83 2.02 -0.36 -5.12 118.70 112.34 3kp1 s GLU 11 Ca 0.35 -0.84 -0.19 0.00 0.02 0.00 0.00 54.97 54.31 3kp1 s GLU 11 Cb 0.20 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.52 3kp1 s GLU 11 CO 0.28 0.49 1.12 0.15 0.02 0.00 0.00 175.26 177.32 3kp1 s LYS 12 N -0.51 3.33 0.25 1.61 1.02 -1.26 -4.57 119.74 119.61 3kp1 s LYS 12 Ca 0.08 1.57 -0.31 0.00 0.02 0.00 0.00 55.97 57.33 3kp1 s LYS 12 Cb -0.09 -2.01 -0.12 0.00 -0.52 0.00 0.00 37.83 35.09 3kp1 s LYS 12 CO -0.01 -0.86 1.65 -0.51 -0.92 0.00 0.00 175.35 174.71 3kp1 s LEU 13 N -3.89 4.36 -0.96 3.17 1.43 -1.26 -4.93 118.68 116.59 3kp1 s LEU 13 Ca 0.72 2.91 -0.17 0.00 -1.03 0.00 0.00 54.13 56.56 3kp1 s LEU 13 Cb -0.23 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.53 3kp1 s LEU 13 CO 0.28 -0.94 1.11 -0.62 0.23 0.00 0.00 176.35 176.41 3kp1 s ASP 14 N 0.80 6.75 0.18 2.29 -1.08 -1.26 -4.86 116.67 119.49 3kp1 s ASP 14 Ca 0.68 -2.38 -0.13 0.00 -0.52 0.00 0.00 52.55 50.20 3kp1 s ASP 14 Cb -0.49 -2.36 0.10 0.00 -1.46 0.00 0.00 42.92 38.71 3kp1 s ASP 14 CO 0.41 -0.89 1.83 0.58 0.52 0.00 0.00 175.17 177.62 3kp1 h VAL 15 N 5.36 1.10 -0.93 1.11 2.07 -1.94 -0.25 116.25 122.77 3kp1 h VAL 15 Ca 0.17 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.64 3kp1 h VAL 15 Cb 1.00 0.34 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 3kp1 h VAL 15 CO 1.06 0.13 0.50 -0.08 0.02 0.00 0.00 177.57 179.20 3kp1 h GLU 16 N 0.70 0.59 -0.02 1.57 4.81 -1.99 -0.87 114.58 119.38 3kp1 h GLU 16 Ca 0.21 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.15 3kp1 h GLU 16 Cb -0.03 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.23 3kp1 h GLU 16 CO -0.07 0.39 -0.99 -0.97 -0.73 0.00 0.00 179.01 176.64 3kp1 h ASN 17 N 0.61 0.86 -0.54 1.04 -1.24 -1.64 -3.17 115.58 111.49 3kp1 h ASN 17 Ca 0.55 -0.67 0.03 0.00 0.71 0.00 0.00 56.30 56.92 3kp1 h ASN 17 Cb 0.90 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.66 3kp1 h ASN 17 CO -0.42 1.47 0.36 0.40 -1.29 0.00 0.00 177.43 177.94 3kp1 h ILE 18 N 0.39 1.07 0.00 2.57 2.04 -0.02 -1.76 117.51 121.80 3kp1 h ILE 18 Ca -0.11 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3kp1 h ILE 18 Cb 1.64 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3kp1 h ILE 18 CO 0.19 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.64 3kp1 n LEU 19 N -4.47 0.00 -4.80 1.44 4.77 -0.44 -4.73 117.00 108.78 3kp1 n LEU 19 Ca 0.06 0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 56.09 3kp1 n LEU 19 Cb 0.14 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3kp1 n LEU 19 CO 0.35 -0.16 0.48 -0.54 -1.33 0.00 0.00 177.39 176.18 3kp1 s LYS 20 N -2.84 4.41 -1.79 3.23 1.02 -0.66 -4.15 119.74 118.96 3kp1 s LYS 20 Ca 0.12 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.15 3kp1 s LYS 20 Cb 0.12 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3kp1 s LYS 20 CO 0.31 0.44 0.00 -0.25 -0.92 0.00 0.00 175.35 174.93 3kp1 n ASP 21 N 0.99 -5.67 0.29 2.83 8.00 -1.26 -4.84 116.55 116.90 3kp1 n ASP 21 Ca -0.03 0.08 0.16 0.00 0.71 0.00 0.00 54.79 55.71 3kp1 n ASP 21 Cb 0.50 -4.74 0.94 0.00 -0.02 0.00 0.00 41.12 37.81 3kp1 n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kp1 h LEU 22 N 0.00 0.00 -2.15 0.64 3.38 -1.85 0.26 115.31 115.59 3kp1 h LEU 22 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3kp1 h LEU 22 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 3kp1 h LEU 22 CO 0.57 0.00 -0.07 -2.24 0.09 0.00 0.00 178.44 176.79 3kp1 h ASP 23 N 0.00 0.00 -0.08 -0.43 2.03 -1.93 -2.35 116.42 113.66 3kp1 h ASP 23 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3kp1 h ASP 23 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 3kp1 h ASP 23 CO -0.00 0.07 0.00 0.29 -1.03 0.00 0.00 179.24 178.57 3kp1 n LYS 24 N -3.71 2.16 -2.67 4.15 4.76 0.92 -4.97 118.16 118.80 3kp1 n LYS 24 Ca -0.02 -1.70 -0.41 0.00 -2.87 0.00 0.00 58.31 53.31 3kp1 n LYS 24 Cb 0.17 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 3kp1 n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kp1 s TYR 25 N -1.92 3.81 -0.02 2.13 5.04 -0.89 -5.06 117.35 120.44 3kp1 s TYR 25 Ca 0.32 1.79 0.03 0.00 -2.44 0.00 0.00 57.07 56.77 3kp1 s TYR 25 Cb 0.20 -3.10 -0.00 0.00 0.35 0.00 0.00 41.96 39.41 3kp1 s TYR 25 CO 0.31 0.05 -0.12 0.99 -1.34 0.00 0.00 175.55 175.44 3kp1 s THR 26 N -0.59 0.96 0.34 4.34 2.01 -1.26 -5.08 115.64 116.36 3kp1 s THR 26 Ca 0.45 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 3kp1 s THR 26 Cb -0.26 -0.83 -0.12 0.00 0.01 0.00 0.00 72.50 71.30 3kp1 s THR 26 CO 0.33 0.28 1.49 -2.65 -0.69 0.00 0.00 174.62 173.38 3kp1 n PRO 27 N 3.06 2.58 0.06 4.92 -0.02 -1.26 -4.90 135.00 139.44 3kp1 n PRO 27 Ca -0.16 0.91 -0.07 0.00 -2.02 0.00 0.00 63.50 62.16 3kp1 n PRO 27 Cb 0.55 -2.63 0.10 0.00 -0.02 0.00 0.00 33.50 31.49 3kp1 n PRO 27 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kp1 h LYS 28 N 3.47 0.36 -5.19 -0.52 1.57 -1.95 -3.47 116.57 110.85 3kp1 h LYS 28 Ca -0.49 -0.24 -0.37 0.00 -1.87 0.00 0.00 60.65 57.68 3kp1 h LYS 28 Cb 1.24 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 3kp1 h LYS 28 CO 0.69 0.84 -0.70 1.03 -0.57 0.00 0.00 179.45 180.74 3kp1 s ARG 29 N -3.85 1.21 0.06 3.15 0.52 -1.26 -5.16 118.95 113.61 3kp1 s ARG 29 Ca -0.05 -1.55 0.03 0.00 -0.52 0.00 0.00 55.73 53.64 3kp1 s ARG 29 Cb 0.12 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 34.81 3kp1 s ARG 29 CO 0.81 0.05 -0.10 1.03 0.02 0.00 0.00 175.30 177.11 3kp1 s ARG 30 N -3.75 0.65 0.00 3.54 0.52 -1.26 -4.70 118.95 113.95 3kp1 s ARG 30 Ca 0.21 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 3kp1 s ARG 30 Cb 0.03 -0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.00 3kp1 s ARG 30 CO 0.04 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.87 3kp1 n GLY 31 N 1.34 0.21 3.80 -3.53 0.00 -1.24 -4.98 105.19 100.79 3kp1 n GLY 31 Ca -0.22 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 3kp1 n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kp1 s TRP 32 N -2.13 3.55 -0.07 1.61 -0.11 -0.81 -4.69 118.94 116.29 3kp1 s TRP 32 Ca 0.00 1.63 0.05 0.00 1.22 0.00 0.00 56.10 58.99 3kp1 s TRP 32 Cb 0.00 -2.82 -0.00 0.00 -1.50 0.00 0.00 33.47 29.14 3kp1 s TRP 32 CO 0.00 0.13 -0.21 0.95 -4.62 0.00 0.00 176.95 173.20 3kp1 s THR 33 N -1.79 1.77 0.43 5.86 -4.23 -1.26 -5.02 115.64 111.39 3kp1 s THR 33 Ca 0.53 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 60.13 3kp1 s THR 33 Cb -0.15 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 3kp1 s THR 33 CO 0.20 0.50 0.68 0.26 -0.54 0.00 0.00 174.62 175.71 3kp1 s TRP 34 N 0.14 3.50 0.49 3.99 0.52 -1.26 -4.91 118.94 121.41 3kp1 s TRP 34 Ca -0.09 0.56 -0.20 0.00 0.02 0.00 0.00 56.10 56.38 3kp1 s TRP 34 Cb -0.15 -2.15 -0.08 0.00 -1.15 0.00 0.00 33.47 29.94 3kp1 s TRP 34 CO 0.05 -0.14 1.05 1.03 0.02 0.00 0.00 176.95 178.96 3kp1 s ARG 35 N -4.56 3.76 -0.28 4.98 0.52 -1.26 -5.03 118.95 117.07 3kp1 s ARG 35 Ca 0.45 1.41 -0.14 0.00 -0.52 0.00 0.00 55.73 56.92 3kp1 s ARG 35 Cb -0.10 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3kp1 s ARG 35 CO 0.41 -0.48 0.32 -0.65 0.02 0.00 0.00 175.30 174.92 3kp1 s GLN 36 N -3.20 3.95 0.50 3.54 -1.52 -1.26 -5.02 119.66 116.65 3kp1 s GLN 36 Ca 0.68 -0.11 -0.23 0.00 -1.95 0.00 0.00 55.36 53.75 3kp1 s GLN 36 Cb -0.18 -3.67 -0.07 0.00 -0.22 0.00 0.00 33.01 28.87 3kp1 s GLN 36 CO 0.21 -0.28 1.30 -2.30 -0.25 0.00 0.00 175.29 173.97 3kp1 n PRO 37 N 5.26 1.75 -3.84 2.91 -0.02 -1.26 -1.03 135.00 138.77 3kp1 n PRO 37 Ca -0.10 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 3kp1 n PRO 37 Cb 0.51 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 3kp1 n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kp1 s ALA 38 N -1.27 2.55 0.27 3.55 0.00 0.08 -4.65 121.76 122.29 3kp1 s ALA 38 Ca 0.67 -2.66 -0.30 0.00 0.00 0.00 0.00 51.96 49.67 3kp1 s ALA 38 Cb -0.45 -1.95 -0.11 0.00 0.00 0.00 0.00 23.12 20.61 3kp1 s ALA 38 CO 0.53 -1.93 1.55 -2.00 0.00 0.00 0.00 175.76 173.91 3kp1 s GLU 39 N 0.44 4.17 -1.56 0.00 2.56 -1.26 -2.98 118.70 120.07 3kp1 s GLU 39 Ca 0.15 2.48 -0.10 0.00 0.00 0.00 0.00 54.97 57.50 3kp1 s GLU 39 Cb -0.23 -3.06 0.09 0.00 2.00 0.00 0.00 34.13 32.93 3kp1 s GLU 39 CO -0.05 -0.57 0.65 0.09 -0.56 0.00 0.00 175.26 174.83 3kp1 n ASN 40 N 2.42 -2.23 -4.71 -1.70 3.02 -1.13 -4.88 115.26 106.05 3kp1 n ASN 40 Ca 0.08 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 3kp1 n ASN 40 Cb 0.38 -3.00 -0.03 0.00 -0.61 0.00 0.00 39.78 36.52 3kp1 n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kp1 s LEU 41 N -7.15 4.37 -0.26 3.41 2.96 -0.94 -4.68 118.68 116.38 3kp1 s LEU 41 Ca 0.43 2.37 -0.15 0.00 -0.22 0.00 0.00 54.13 56.55 3kp1 s LEU 41 Cb -0.23 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 3kp1 s LEU 41 CO 0.90 -0.70 0.39 -1.58 -1.32 0.00 0.00 176.35 174.04 3kp1 s GLN 42 N 1.26 4.04 -0.09 1.98 2.00 -1.26 -0.14 119.66 127.45 3kp1 s GLN 42 Ca 0.66 0.09 0.01 0.00 -2.00 0.00 0.00 55.36 54.12 3kp1 s GLN 42 Cb -0.38 -3.64 0.02 0.00 0.80 0.00 0.00 33.01 29.81 3kp1 s GLN 42 CO 0.30 -0.26 -0.11 -1.64 -0.50 0.00 0.00 175.29 173.09 3kp1 s MET 43 N 2.02 1.67 3.51 1.67 -1.94 0.02 -5.00 119.30 121.24 3kp1 s MET 43 Ca 0.16 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 3kp1 s MET 43 Cb -0.16 -1.50 0.00 0.00 2.01 0.00 0.00 34.83 35.18 3kp1 s MET 43 CO 0.10 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 3kp1 n GLY 44 N 4.24 2.51 0.06 -0.03 0.00 -1.26 -1.84 105.19 108.87 3kp1 n GLY 44 Ca -0.19 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3kp1 n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kp1 n PRO 45 N 14.00 0.10 -4.18 1.61 -0.04 -1.26 -4.89 135.00 140.34 3kp1 n PRO 45 Ca 0.00 0.26 -0.27 0.00 -0.04 0.00 0.00 63.50 63.46 3kp1 n PRO 45 Cb 0.00 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.72 3kp1 n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kp1 s PHE 46 N -3.12 2.91 -0.10 0.54 0.08 -0.76 -5.12 117.98 112.41 3kp1 s PHE 46 Ca 0.08 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.01 3kp1 s PHE 46 Cb 0.11 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 3kp1 s PHE 46 CO 0.39 0.51 -0.05 0.42 -0.10 0.00 0.00 175.22 176.40 3kp1 s ILE 47 N -1.68 3.86 -0.06 0.64 1.01 -1.26 -0.80 121.20 122.91 3kp1 s ILE 47 Ca 0.28 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.55 3kp1 s ILE 47 Cb -0.10 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3kp1 s ILE 47 CO 0.19 0.57 -0.14 -0.31 0.00 0.00 0.00 174.94 175.25 3kp1 s TYR 48 N -0.49 2.72 -0.13 3.97 2.02 0.80 -4.96 117.35 121.27 3kp1 s TYR 48 Ca 0.08 -0.24 0.19 0.00 -0.37 0.00 0.00 57.07 56.73 3kp1 s TYR 48 Cb -0.12 -1.66 -0.23 0.00 -0.40 0.00 0.00 41.96 39.55 3kp1 s TYR 48 CO 0.02 0.12 0.48 1.63 -1.57 0.00 0.00 175.55 176.23 3kp1 n LYS 49 N 2.50 0.65 -2.20 -0.62 4.01 -1.26 -2.22 118.16 119.01 3kp1 n LYS 49 Ca -0.17 0.03 -0.17 0.00 -0.51 0.00 0.00 58.31 57.49 3kp1 n LYS 49 Cb 0.52 -1.64 0.03 0.00 -0.51 0.00 0.00 35.03 33.44 3kp1 n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kp1 n ASP 50 N -2.68 3.96 -4.85 4.39 8.00 -1.26 -4.66 116.55 119.46 3kp1 n ASP 50 Ca -0.16 -3.29 -0.24 0.00 0.71 0.00 0.00 54.79 51.82 3kp1 n ASP 50 Cb 0.87 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 3kp1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kp1 s ALA 51 N -3.62 3.67 0.53 2.24 0.00 -1.26 -3.45 121.76 119.87 3kp1 s ALA 51 Ca 0.44 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 51.15 3kp1 s ALA 51 Cb 0.39 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 22.11 3kp1 s ALA 51 CO 0.02 0.36 0.30 -1.13 0.00 0.00 0.00 175.76 175.31 3kp1 n SER 52 N -0.89 2.90 -4.68 0.00 3.41 0.10 -0.74 113.62 113.73 3kp1 n SER 52 Ca -0.08 -2.96 -0.46 0.00 -0.26 0.00 0.00 58.87 55.12 3kp1 n SER 52 Cb 0.56 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 3kp1 n SER 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kp1 n THR 53 N -1.64 0.06 -1.11 6.66 -1.04 -0.19 -4.45 114.28 112.56 3kp1 n THR 53 Ca -0.07 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.61 3kp1 n THR 53 Cb 0.62 -1.62 0.12 0.00 -1.82 0.00 0.00 70.33 67.63 3kp1 n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kp1 s PRO 54 N 1.24 1.70 0.53 -2.82 0.02 -1.26 -4.80 135.00 129.61 3kp1 s PRO 54 Ca 0.80 1.59 -0.11 0.00 0.02 0.00 0.00 61.00 63.29 3kp1 s PRO 54 Cb -0.66 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 3kp1 s PRO 54 CO 0.38 -2.13 0.93 -0.51 -0.33 0.00 0.00 177.00 175.34 3kp1 s LEU 55 N -5.85 3.50 0.04 -5.54 1.43 -1.26 -5.00 118.68 106.00 3kp1 s LEU 55 Ca 0.69 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 3kp1 s LEU 55 Cb -0.25 -4.30 -0.30 0.00 0.03 0.00 0.00 46.19 41.37 3kp1 s LEU 55 CO 0.52 -0.67 1.07 -0.33 0.23 0.00 0.00 176.35 177.17 3kp1 h GLU 56 N 0.36 0.58 -4.85 1.70 5.08 -1.07 -3.45 114.58 112.92 3kp1 h GLU 56 Ca -0.46 -0.81 -0.45 0.00 -1.00 0.00 0.00 59.36 56.64 3kp1 h GLU 56 Cb 1.19 0.28 -0.30 0.00 0.50 0.00 0.00 28.75 30.42 3kp1 h GLU 56 CO 0.62 1.37 -0.80 -0.80 -1.00 0.00 0.00 179.01 178.41 3kp1 s ASN 57 N -7.39 1.37 0.02 1.42 0.01 -1.14 -5.02 114.94 104.20 3kp1 s ASN 57 Ca -0.10 -0.21 -0.29 0.00 -0.71 0.00 0.00 52.86 51.55 3kp1 s ASN 57 Cb 0.05 -0.27 0.10 0.00 0.41 0.00 0.00 41.25 41.54 3kp1 s ASN 57 CO 0.92 0.11 1.14 -0.94 -1.51 0.00 0.00 177.10 176.82 3kp1 s SER 58 N -0.03 -0.13 -0.27 -1.22 1.04 -1.26 -4.55 113.70 107.29 3kp1 s SER 58 Ca 0.00 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 3kp1 s SER 58 Cb -0.07 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 3kp1 s SER 58 CO 0.00 -0.51 0.07 -0.69 0.98 0.00 0.00 173.24 173.09 3kp1 s VAL 59 N -2.76 4.16 0.74 5.02 1.01 -0.25 -5.02 120.40 123.29 3kp1 s VAL 59 Ca 0.12 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3kp1 s VAL 59 Cb 0.02 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3kp1 s VAL 59 CO -0.02 0.24 1.08 0.00 0.00 0.00 0.00 175.10 176.40 3kp1 s ALA 60 N 1.57 2.55 0.57 5.51 0.00 -1.26 -4.68 121.76 126.02 3kp1 s ALA 60 Ca 0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 3kp1 s ALA 60 Cb -0.16 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3kp1 s ALA 60 CO 0.03 -1.41 1.16 1.28 0.00 0.00 0.00 175.76 176.82 3kp1 n LEU 61 N -3.22 4.65 -0.24 0.00 4.77 -1.26 -4.89 117.00 116.80 3kp1 n LEU 61 Ca 0.07 0.89 0.02 0.00 -0.03 0.00 0.00 56.01 56.96 3kp1 n LEU 61 Cb 0.56 -1.48 0.10 0.00 -2.33 0.00 0.00 43.42 40.27 3kp1 n LEU 61 CO 0.57 -1.23 0.76 -0.65 -1.33 0.00 0.00 177.39 175.51 3kp1 h PRO 62 N 0.92 0.04 0.00 3.23 0.11 -2.00 -0.33 132.00 133.96 3kp1 h PRO 62 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kp1 h PRO 62 Cb 1.34 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3kp1 h PRO 62 CO 0.54 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 178.78 3kp1 n SER 63 N -5.41 0.00 0.31 -2.05 7.64 -1.26 -2.86 113.62 109.99 3kp1 n SER 63 Ca 0.10 -0.38 0.20 0.00 1.01 0.00 0.00 58.87 59.80 3kp1 n SER 63 Cb 0.39 -0.13 0.99 0.00 -1.01 0.00 0.00 64.21 64.45 3kp1 n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kp1 h ALA 64 N 3.19 1.04 0.00 -0.43 0.00 -1.37 -2.68 119.26 119.01 3kp1 h ALA 64 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kp1 h ALA 64 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kp1 h ALA 64 CO 0.00 0.01 0.00 1.57 0.00 0.00 0.00 179.25 180.83 3kp1 h LYS 65 N 0.00 0.00 0.00 0.00 2.10 -1.70 0.25 116.57 117.22 3kp1 h LYS 65 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kp1 h LYS 65 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3kp1 h LYS 65 CO 0.00 0.00 -0.23 0.66 -2.00 0.00 0.00 179.45 177.88 3kp1 n TYR 66 N -2.97 0.27 -2.04 0.07 4.01 -1.01 -4.03 117.16 111.45 3kp1 n TYR 66 Ca -0.03 0.08 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 3kp1 n TYR 66 Cb 0.08 -0.55 0.10 0.00 -0.31 0.00 0.00 39.34 38.67 3kp1 n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kp1 n PHE 67 N -1.74 0.86 -1.08 -0.72 3.72 0.26 -4.96 117.46 113.79 3kp1 n PHE 67 Ca 0.06 -1.56 -0.03 0.00 -0.05 0.00 0.00 57.45 55.87 3kp1 n PHE 67 Cb 0.37 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3kp1 n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kp1 n GLY 68 N -0.62 0.60 2.48 1.37 0.00 -1.12 -3.78 105.19 104.12 3kp1 n GLY 68 Ca 0.21 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3kp1 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kp1 n ASP 69 N 1.17 -5.26 -4.75 1.61 8.00 0.62 -4.99 116.55 112.94 3kp1 n ASP 69 Ca -0.03 -0.08 -0.36 0.00 0.71 0.00 0.00 54.79 55.03 3kp1 n ASP 69 Cb 0.11 -4.27 0.04 0.00 -0.02 0.00 0.00 41.12 36.98 3kp1 n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kp1 s ILE 70 N -2.94 2.56 -0.43 0.53 -4.36 -1.25 -4.81 121.20 110.50 3kp1 s ILE 70 Ca 0.08 0.34 0.08 0.00 -0.26 0.00 0.00 60.65 60.89 3kp1 s ILE 70 Cb -0.03 -3.11 0.27 0.00 1.25 0.00 0.00 42.46 40.84 3kp1 s ILE 70 CO 0.09 -0.08 0.61 -0.67 0.24 0.00 0.00 174.94 175.13 3kp1 n ASP 71 N -1.72 1.00 -4.76 4.36 2.03 -1.26 -4.65 116.55 111.54 3kp1 n ASP 71 Ca 0.14 -2.90 -0.39 0.00 0.52 0.00 0.00 54.79 52.15 3kp1 n ASP 71 Cb 0.50 -0.64 0.02 0.00 -0.72 0.00 0.00 41.12 40.28 3kp1 n ASP 71 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3kp1 s PRO 72 N -1.70 3.61 -0.12 -0.67 0.02 -1.26 -4.71 135.00 130.17 3kp1 s PRO 72 Ca 0.37 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.72 3kp1 s PRO 72 Cb 0.21 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 32.11 3kp1 s PRO 72 CO -0.09 -0.85 -0.06 -0.65 -0.33 0.00 0.00 177.00 175.02 3kp1 s GLN 73 N -2.52 3.30 1.09 5.54 -1.52 -1.26 -4.97 119.66 119.32 3kp1 s GLN 73 Ca 0.63 -0.54 -0.18 0.00 -1.95 0.00 0.00 55.36 53.31 3kp1 s GLN 73 Cb -0.42 -2.77 0.26 0.00 -0.22 0.00 0.00 33.01 29.86 3kp1 s GLN 73 CO 0.54 0.40 1.27 -1.25 -0.25 0.00 0.00 175.29 175.99 3kp1 s PRO 74 N -0.08 -0.38 -0.01 2.91 0.04 -1.26 -0.72 135.00 135.49 3kp1 s PRO 74 Ca 0.01 -0.40 -0.21 0.00 0.04 0.00 0.00 61.00 60.44 3kp1 s PRO 74 Cb -0.13 -1.73 -0.24 0.00 0.04 0.00 0.00 34.50 32.45 3kp1 s PRO 74 CO 0.03 -3.10 1.08 -0.07 0.04 0.00 0.00 177.00 174.98 3kp1 h LEU 75 N -2.13 0.45-10.17 -3.56 3.38 -1.87 -3.34 115.31 98.06 3kp1 h LEU 75 Ca -0.43 -0.77 -0.50 0.00 0.09 0.00 0.00 57.88 56.26 3kp1 h LEU 75 Cb 1.24 -0.14 0.09 0.00 0.09 0.00 0.00 40.66 41.94 3kp1 h LEU 75 CO 0.31 1.16 0.39 -2.84 0.09 0.00 0.00 178.44 177.54 3kp1 s PRO 76 N -3.17 3.01 0.25 1.13 0.02 -1.26 -4.57 135.00 130.41 3kp1 s PRO 76 Ca -0.14 1.43 -0.30 0.00 0.02 0.00 0.00 61.00 62.01 3kp1 s PRO 76 Cb 0.03 -1.97 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 3kp1 s PRO 76 CO 0.80 -1.09 1.55 0.08 -0.33 0.00 0.00 177.00 178.02 3kp1 s VAL 77 N -2.19 2.33 -0.21 3.83 1.01 -0.87 -4.80 120.40 119.50 3kp1 s VAL 77 Ca 0.68 0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 3kp1 s VAL 77 Cb -0.21 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 3kp1 s VAL 77 CO 0.37 0.04 0.03 -0.63 0.00 0.00 0.00 175.10 174.90 3kp1 s ILE 78 N 0.26 4.13 0.04 2.22 -1.09 -1.26 0.01 121.20 125.51 3kp1 s ILE 78 Ca 0.64 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.79 3kp1 s ILE 78 Cb -0.46 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 3kp1 s ILE 78 CO 0.43 0.41 0.23 -0.89 -1.23 0.00 0.00 174.94 173.88 3kp1 s THR 79 N 1.12 5.37 0.01 2.92 2.01 -0.78 -1.96 115.64 124.33 3kp1 s THR 79 Ca 0.03 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3kp1 s THR 79 Cb -0.14 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 3kp1 s THR 79 CO 0.02 0.23 -0.08 0.28 -0.69 0.00 0.00 174.62 174.39 3kp1 s THR 80 N -1.42 0.60 -0.31 -0.82 -1.32 -0.43 -2.57 115.64 109.37 3kp1 s THR 80 Ca 0.32 -0.59 -0.13 0.00 -1.21 0.00 0.00 61.69 60.08 3kp1 s THR 80 Cb -0.13 -0.56 -0.03 0.00 -1.51 0.00 0.00 72.50 70.27 3kp1 s THR 80 CO 0.22 -0.02 0.25 -1.61 -2.21 0.00 0.00 174.62 171.25 3kp1 s GLU 81 N -0.68 3.75 -0.21 7.08 2.02 -1.26 -1.47 118.70 127.93 3kp1 s GLU 81 Ca -0.01 -0.41 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 3kp1 s GLU 81 Cb -0.05 -3.73 0.06 0.00 0.10 0.00 0.00 34.13 30.51 3kp1 s GLU 81 CO 0.00 -0.32 0.03 0.42 0.02 0.00 0.00 175.26 175.41 3kp1 s ILE 82 N 1.81 0.63 -0.34 -1.63 1.01 -0.66 -4.97 121.20 117.05 3kp1 s ILE 82 Ca 0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3kp1 s ILE 82 Cb -0.17 -1.15 0.19 0.00 0.01 0.00 0.00 42.46 41.34 3kp1 s ILE 82 CO 0.11 -0.24 0.83 0.00 0.00 0.00 0.00 174.94 175.64 3kp1 s ALA 83 N 1.80 -3.35 -0.97 9.38 0.00 -1.26 -4.46 121.76 122.89 3kp1 s ALA 83 Ca -0.01 0.90 0.21 0.00 0.00 0.00 0.00 51.96 53.07 3kp1 s ALA 83 Cb -0.17 -2.82 -0.23 0.00 0.00 0.00 0.00 23.12 19.90 3kp1 s ALA 83 CO -0.09 -2.23 0.89 -1.13 0.00 0.00 0.00 175.76 173.20 3kp1 n SER 84 N 4.46 0.97 0.00 0.00 3.41 -1.26 -4.08 113.62 117.12 3kp1 n SER 84 Ca 0.08 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 3kp1 n SER 84 Cb 0.59 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 3kp1 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kp1 n GLY 85 N 1.49 2.91 2.87 5.00 0.00 -1.22 -4.68 105.19 111.57 3kp1 n GLY 85 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3kp1 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kp1 s ARG 86 N -0.56 1.53 0.60 1.61 0.52 -1.26 -1.40 118.95 119.99 3kp1 s ARG 86 Ca 0.00 -2.12 0.30 0.00 -0.52 0.00 0.00 55.73 53.39 3kp1 s ARG 86 Cb 0.00 -2.87 1.76 0.00 0.52 0.00 0.00 34.95 34.36 3kp1 s ARG 86 CO 0.00 -1.07 2.17 0.27 0.02 0.00 0.00 175.30 176.68 3kp1 h PHE 87 N 6.98 0.00 -0.03 -0.53 -5.15 -1.95 -1.54 116.94 114.73 3kp1 h PHE 87 Ca -0.06 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.58 3kp1 h PHE 87 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.10 3kp1 h PHE 87 CO 0.48 0.00 -0.60 1.05 -2.00 0.00 0.00 178.31 177.24 3kp1 h GLU 88 N 0.00 0.09 -0.04 6.09 9.09 -2.00 -2.01 114.58 125.80 3kp1 h GLU 88 Ca 0.05 -0.06 -0.21 0.00 0.05 0.00 0.00 59.36 59.19 3kp1 h GLU 88 Cb 0.29 0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.41 3kp1 h GLU 88 CO -0.00 0.66 -0.78 -0.44 0.05 0.00 0.00 179.01 178.51 3kp1 h ASP 89 N 0.07 0.76 -0.61 3.06 3.32 -1.62 -3.34 116.42 118.06 3kp1 h ASP 89 Ca -0.01 -0.71 0.08 0.00 0.02 0.00 0.00 57.03 56.41 3kp1 h ASP 89 Cb 1.08 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 3kp1 h ASP 89 CO 0.08 1.36 0.41 0.44 -1.72 0.00 0.00 179.24 179.81 3kp1 h ASP 90 N 0.22 0.47 -0.56 6.45 5.19 -1.16 -1.00 116.42 126.04 3kp1 h ASP 90 Ca -0.09 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.39 3kp1 h ASP 90 Cb 1.44 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.83 3kp1 h ASP 90 CO 0.16 0.30 0.37 0.40 -3.12 0.00 0.00 179.24 177.34 3kp1 h ILE 91 N 0.53 0.98 -0.42 0.35 2.04 -1.49 -0.49 117.51 119.01 3kp1 h ILE 91 Ca 0.27 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 3kp1 h ILE 91 Cb 0.38 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3kp1 h ILE 91 CO -0.08 0.09 -0.21 0.03 0.00 0.00 0.00 178.15 177.98 3kp1 h ARG 92 N 0.50 0.89 -0.05 2.37 3.08 -1.37 -2.94 114.38 116.85 3kp1 h ARG 92 Ca 0.24 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 3kp1 h ARG 92 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3kp1 h ARG 92 CO -0.07 1.04 -0.32 -0.09 -1.07 0.00 0.00 179.97 179.46 3kp1 h ARG 93 N 0.71 0.10 -0.61 0.04 2.43 -1.24 -2.76 114.38 113.04 3kp1 h ARG 93 Ca 0.09 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3kp1 h ARG 93 Cb 0.78 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3kp1 h ARG 93 CO 0.06 0.41 0.28 0.52 -1.51 0.00 0.00 179.97 179.74 3kp1 h MET 94 N 0.09 0.89 -0.45 0.20 2.86 -0.99 0.91 114.93 118.44 3kp1 h MET 94 Ca 0.01 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3kp1 h MET 94 Cb 0.61 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3kp1 h MET 94 CO 0.04 0.73 0.23 -0.09 1.06 0.00 0.00 176.91 178.89 3kp1 h ARG 95 N 0.85 0.65 -0.07 1.72 2.43 -1.33 0.40 114.38 119.02 3kp1 h ARG 95 Ca 0.21 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3kp1 h ARG 95 Cb 0.14 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 3kp1 h ARG 95 CO -0.02 0.54 -0.19 0.52 -1.51 0.00 0.00 179.97 179.30 3kp1 h MET 96 N 0.59 -0.27 -0.55 0.20 2.86 -1.23 -2.35 114.93 114.20 3kp1 h MET 96 Ca 0.16 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3kp1 h MET 96 Cb 0.10 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3kp1 h MET 96 CO -0.02 -0.18 0.21 0.00 1.06 0.00 0.00 176.91 177.98 3kp1 h ALA 97 N 0.68 1.35 -0.60 6.32 0.00 -0.57 -2.68 119.26 123.76 3kp1 h ALA 97 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3kp1 h ALA 97 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kp1 h ALA 97 CO -0.23 0.49 0.17 0.00 0.00 0.00 0.00 179.25 179.68 3kp1 h ALA 98 N 1.45 0.78 0.00 0.00 0.00 -0.68 -1.93 119.26 118.88 3kp1 h ALA 98 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kp1 h ALA 98 Cb 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kp1 h ALA 98 CO -0.02 0.47 -0.12 -1.49 0.00 0.00 0.00 179.25 178.09 3kp1 h TRP 99 N 0.85 0.00 -0.41 0.00 4.06 -1.10 -1.86 115.95 117.49 3kp1 h TRP 99 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 3kp1 h TRP 99 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3kp1 h TRP 99 CO 0.02 0.12 0.00 0.72 -3.56 0.00 0.00 178.44 175.74 3kp1 n HIS 100 N -3.98 0.54 0.00 0.49 8.25 -0.88 -1.09 115.22 118.55 3kp1 n HIS 100 Ca -0.02 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3kp1 n HIS 100 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3kp1 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kp1 n GLY 101 N 1.25 0.67 3.69 -1.41 0.00 -0.70 -4.53 105.19 104.16 3kp1 n GLY 101 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kp1 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 s ALA 102 N -2.00 3.57 -0.19 4.61 0.00 -0.78 -4.72 121.76 122.25 3kp1 s ALA 102 Ca 0.00 0.84 0.13 0.00 0.00 0.00 0.00 51.96 52.93 3kp1 s ALA 102 Cb 0.00 -3.58 0.40 0.00 0.00 0.00 0.00 23.12 19.93 3kp1 s ALA 102 CO 0.00 -0.90 1.23 -0.40 0.00 0.00 0.00 175.76 175.69 3kp1 n ASP 103 N 5.37 2.03 -3.39 0.00 5.75 -0.83 -4.30 116.55 121.18 3kp1 n ASP 103 Ca 0.13 -3.64 -0.10 0.00 -0.01 0.00 0.00 54.79 51.17 3kp1 n ASP 103 Cb 0.44 -0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 39.93 3kp1 n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kp1 s HIS 104 N -3.13 -0.78 -0.26 2.11 5.04 -0.96 -0.85 115.29 116.47 3kp1 s HIS 104 Ca 0.37 0.85 -0.05 0.00 -1.54 0.00 0.00 55.06 54.69 3kp1 s HIS 104 Cb 0.35 0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.99 3kp1 s HIS 104 CO -0.03 -0.68 0.02 0.42 -2.34 0.00 0.00 174.74 172.12 3kp1 s ILE 105 N 2.53 3.64 -0.20 0.89 -1.09 0.20 -1.31 121.20 125.86 3kp1 s ILE 105 Ca 0.11 -0.63 -0.04 0.00 -2.23 0.00 0.00 60.65 57.85 3kp1 s ILE 105 Cb -0.15 -2.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 3kp1 s ILE 105 CO -0.15 0.23 -0.02 -0.32 -1.23 0.00 0.00 174.94 173.45 3kp1 s MET 106 N 1.48 3.52 -0.42 2.79 1.75 -0.54 -1.54 119.30 126.33 3kp1 s MET 106 Ca 0.04 -0.57 -0.07 0.00 -1.25 0.00 0.00 55.69 53.84 3kp1 s MET 106 Cb -0.16 -3.04 0.10 0.00 2.84 0.00 0.00 34.83 34.57 3kp1 s MET 106 CO -0.00 -0.05 0.24 0.08 -0.65 0.00 0.00 175.02 174.64 3kp1 s VAL 107 N 1.14 3.82 0.28 10.11 1.01 -0.25 -1.66 120.40 134.85 3kp1 s VAL 107 Ca 0.02 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 59.99 3kp1 s VAL 107 Cb -0.14 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3kp1 s VAL 107 CO 0.00 -0.61 1.32 -0.63 0.00 0.00 0.00 175.10 175.19 3kp1 s ILE 108 N 1.30 2.87 0.52 2.22 1.09 -1.26 -4.48 121.20 123.46 3kp1 s ILE 108 Ca 0.05 0.80 -0.09 0.00 -1.10 0.00 0.00 60.65 60.31 3kp1 s ILE 108 Cb -0.24 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 3kp1 s ILE 108 CO -0.01 0.16 0.88 -0.13 -0.10 0.00 0.00 174.94 175.74 3kp1 s ARG 109 N -1.07 3.62 0.41 2.79 0.52 -1.26 -1.08 118.95 122.89 3kp1 s ARG 109 Ca 0.53 0.47 -0.25 0.00 -0.52 0.00 0.00 55.73 55.96 3kp1 s ARG 109 Cb -0.39 -2.26 -0.11 0.00 0.52 0.00 0.00 34.95 32.71 3kp1 s ARG 109 CO 0.47 -0.31 1.08 -2.37 0.02 0.00 0.00 175.30 174.19 3kp1 n THR 110 N -2.24 2.44 -1.69 0.02 5.66 -0.66 -4.15 114.28 113.67 3kp1 n THR 110 Ca 0.03 -0.50 -0.55 0.00 -3.05 0.00 0.00 64.05 59.98 3kp1 n THR 110 Cb 0.54 -1.25 -0.07 0.00 -1.55 0.00 0.00 70.33 68.01 3kp1 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kp1 n ALA 111 N -0.36 0.18 -0.99 1.79 0.00 0.04 -1.39 120.51 119.78 3kp1 n ALA 111 Ca 0.09 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3kp1 n ALA 111 Cb 0.39 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3kp1 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp1 n GLY 112 N 4.41 0.39 0.35 0.00 0.00 -1.26 -4.91 105.19 104.17 3kp1 n GLY 112 Ca 0.26 -1.02 0.18 0.00 0.00 0.00 0.00 46.02 45.45 3kp1 n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kp1 h GLN 113 N 0.07 0.00 -0.56 1.61 4.15 -1.56 0.32 115.11 119.14 3kp1 h GLN 113 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.58 3kp1 h GLN 113 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3kp1 h GLN 113 CO 0.00 0.00 0.54 0.77 -1.93 0.00 0.00 178.83 178.21 3kp1 h SER 114 N 0.00 0.00 0.40 -0.69 0.02 -1.86 -1.03 113.55 110.39 3kp1 h SER 114 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3kp1 h SER 114 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3kp1 h SER 114 CO -0.00 0.00 -0.40 1.41 -1.14 0.00 0.00 176.83 176.70 3kp1 n HIS 115 N -3.81 0.00 -2.11 3.45 8.25 0.10 -1.40 115.22 119.69 3kp1 n HIS 115 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3kp1 n HIS 115 Cb 0.76 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 3kp1 n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kp1 s TYR 116 N -2.80 2.19 -1.41 4.41 1.51 -0.39 -4.91 117.35 115.95 3kp1 s TYR 116 Ca 0.16 0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 56.57 3kp1 s TYR 116 Cb 0.18 -3.83 0.06 0.00 -0.11 0.00 0.00 41.96 38.27 3kp1 s TYR 116 CO 0.63 -3.27 2.50 -3.47 -1.11 0.00 0.00 175.55 170.83 3kp1 n ASP 117 N 7.16 7.93 0.00 2.29 2.03 -1.26 -4.18 116.55 130.52 3kp1 n ASP 117 Ca 0.17 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.50 3kp1 n ASP 117 Cb 0.43 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 3kp1 n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp1 n GLY 118 N 2.36 1.63 3.77 0.27 0.00 -1.26 -5.00 105.19 106.96 3kp1 n GLY 118 Ca 0.65 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 3kp1 n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kp1 s LEU 119 N 0.00 3.81 0.32 0.99 1.43 -1.26 -4.97 118.68 119.00 3kp1 s LEU 119 Ca 0.00 2.25 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 3kp1 s LEU 119 Cb 0.00 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 3kp1 s LEU 119 CO 0.00 -1.19 0.31 0.27 0.23 0.00 0.00 176.35 175.97 3kp1 s ILE 120 N -1.68 3.83 0.19 -0.59 -4.36 -1.26 -5.14 121.20 112.18 3kp1 s ILE 120 Ca 0.71 -1.30 0.07 0.00 -0.26 0.00 0.00 60.65 59.88 3kp1 s ILE 120 Cb -0.26 -3.28 -0.05 0.00 1.25 0.00 0.00 42.46 40.12 3kp1 s ILE 120 CO 0.30 -0.20 -0.15 -1.61 0.24 0.00 0.00 174.94 173.52 3kp1 s GLU 121 N -4.00 1.28 2.33 0.37 0.41 -1.26 -4.36 118.70 113.47 3kp1 s GLU 121 Ca 0.40 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 3kp1 s GLU 121 Cb -0.07 -1.10 0.00 0.00 -1.78 0.00 0.00 34.13 31.18 3kp1 s GLU 121 CO 0.27 0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.64 3kp1 n GLY 122 N -0.20 -0.86 2.37 -1.39 0.00 -1.13 -4.65 105.19 99.32 3kp1 n GLY 122 Ca -0.09 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 3kp1 n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kp1 n THR 123 N 0.00 0.46 -1.58 2.61 -2.24 -1.26 -4.33 114.28 107.94 3kp1 n THR 123 Ca 0.00 -4.38 -0.32 0.00 -2.27 0.00 0.00 64.05 57.08 3kp1 n THR 123 Cb 0.00 -0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.08 3kp1 n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kp1 s PRO 124 N -2.71 2.68 0.37 -0.78 0.04 -1.24 -3.30 135.00 130.06 3kp1 s PRO 124 Ca 0.38 1.22 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 3kp1 s PRO 124 Cb 0.37 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.87 3kp1 s PRO 124 CO -0.06 -1.32 1.22 -1.14 0.04 0.00 0.00 177.00 175.73 3kp1 s GLN 125 N -4.54 4.18 0.39 4.56 0.74 -1.26 -4.63 119.66 119.10 3kp1 s GLN 125 Ca 0.63 1.98 0.06 0.00 0.05 0.00 0.00 55.36 58.08 3kp1 s GLN 125 Cb -0.18 -2.84 0.00 0.00 1.10 0.00 0.00 33.01 31.09 3kp1 s GLN 125 CO 0.48 -0.26 0.55 0.20 -0.55 0.00 0.00 175.29 175.71 3kp1 s GLY 126 N -0.88 1.73 -0.19 2.59 0.00 -0.50 -4.88 107.32 105.20 3kp1 s GLY 126 Ca 0.54 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3kp1 s GLY 126 CO 0.44 -1.34 -0.14 -0.42 0.00 0.00 0.00 173.10 171.64 3kp1 s ILE 127 N -2.32 1.84 -0.79 0.90 -1.09 -1.26 -4.64 121.20 113.84 3kp1 s ILE 127 Ca 0.50 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3kp1 s ILE 127 Cb -0.10 -1.80 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 3kp1 s ILE 127 CO 0.33 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.97 3kp1 n GLY 128 N 4.64 0.86 0.00 6.18 0.00 -1.26 -0.78 105.19 114.83 3kp1 n GLY 128 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3kp1 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp1 n GLY 129 N -0.83 -2.09 3.64 -0.02 0.00 -1.26 -4.64 105.19 99.99 3kp1 n GLY 129 Ca -0.07 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 3kp1 n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp1 s VAL 130 N -2.10 4.90 -0.06 1.61 1.01 -0.24 -3.37 120.40 122.16 3kp1 s VAL 130 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3kp1 s VAL 130 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 3kp1 s VAL 130 CO 0.00 0.43 1.80 -2.84 0.00 0.00 0.00 175.10 174.50 3kp1 s PRO 131 N 0.54 4.04 -0.30 2.72 0.02 -1.26 -1.65 135.00 139.12 3kp1 s PRO 131 Ca 0.04 2.26 -0.27 0.00 0.02 0.00 0.00 61.00 63.05 3kp1 s PRO 131 Cb -0.13 -4.08 0.01 0.00 0.02 0.00 0.00 34.50 30.32 3kp1 s PRO 131 CO 0.01 -1.04 0.98 0.42 -0.33 0.00 0.00 177.00 177.04 3kp1 s ILE 132 N 4.66 4.63 0.14 2.83 -1.09 -1.26 -4.90 121.20 126.21 3kp1 s ILE 132 Ca 0.80 1.63 -0.03 0.00 -2.23 0.00 0.00 60.65 60.83 3kp1 s ILE 132 Cb -0.35 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.19 3kp1 s ILE 132 CO 0.34 -0.34 0.11 0.42 -1.23 0.00 0.00 174.94 174.24 3kp1 s THR 133 N 3.34 0.09 0.23 2.92 -4.23 -1.26 -4.47 115.64 112.26 3kp1 s THR 133 Ca 0.41 -1.77 -0.08 0.00 -1.18 0.00 0.00 61.69 59.07 3kp1 s THR 133 Cb -0.13 -1.98 0.20 0.00 1.34 0.00 0.00 72.50 71.92 3kp1 s THR 133 CO 0.12 -0.43 1.86 -0.09 -0.54 0.00 0.00 174.62 175.55 3kp1 h ARG 134 N 2.79 1.21 0.24 3.99 2.43 -1.88 0.07 114.38 123.22 3kp1 h ARG 134 Ca -0.34 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3kp1 h ARG 134 Cb 1.21 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3kp1 h ARG 134 CO 0.56 0.87 -0.12 -0.22 -1.51 0.00 0.00 179.97 179.56 3kp1 h LYS 135 N 1.22 -0.31 -0.67 0.20 3.64 -1.83 -0.55 116.57 118.28 3kp1 h LYS 135 Ca 0.31 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3kp1 h LYS 135 Cb -0.01 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3kp1 h LYS 135 CO -0.05 -0.10 0.43 0.37 -2.27 0.00 0.00 179.45 177.83 3kp1 h GLN 136 N -0.47 0.85 -0.27 1.90 -0.00 -1.70 -0.71 115.11 114.71 3kp1 h GLN 136 Ca -0.03 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 3kp1 h GLN 136 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.63 3kp1 h GLN 136 CO 0.05 0.56 0.17 0.28 0.00 0.00 0.00 178.83 179.89 3kp1 h VAL 137 N 0.88 1.09 -0.40 2.39 2.07 -0.91 -1.26 116.25 120.10 3kp1 h VAL 137 Ca 0.25 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3kp1 h VAL 137 Cb -0.06 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3kp1 h VAL 137 CO -0.07 0.09 0.20 0.03 0.02 0.00 0.00 177.57 177.84 3kp1 h ARG 138 N 0.34 0.40 -0.31 1.57 3.08 -0.67 -0.47 114.38 118.32 3kp1 h ARG 138 Ca 0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.14 3kp1 h ARG 138 Cb -0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3kp1 h ARG 138 CO -0.02 0.27 0.17 0.00 -1.07 0.00 0.00 179.97 179.31 3kp1 h ALA 139 N 1.21 0.39 -0.11 0.04 0.00 -0.81 0.17 119.26 120.14 3kp1 h ALA 139 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3kp1 h ALA 139 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kp1 h ALA 139 CO -0.11 -0.21 -0.68 1.96 0.00 0.00 0.00 179.25 180.22 3kp1 h GLN 140 N 0.35 0.47 -0.31 0.00 4.20 -1.02 -1.67 115.11 117.13 3kp1 h GLN 140 Ca 0.13 -0.36 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3kp1 h GLN 140 Cb 0.03 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3kp1 h GLN 140 CO -0.08 0.98 -0.36 -0.09 -0.67 0.00 0.00 178.83 178.61 3kp1 h ARG 141 N 0.34 0.70 0.05 1.46 9.65 -0.82 -0.52 114.38 125.24 3kp1 h ARG 141 Ca -0.02 -0.34 -0.00 0.00 -1.10 0.00 0.00 59.98 58.51 3kp1 h ARG 141 Cb 1.24 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 3kp1 h ARG 141 CO 0.12 0.95 -0.02 -0.22 2.80 0.00 0.00 179.97 183.60 3kp1 h LYS 142 N 0.59 -0.07 -0.95 0.20 3.64 -0.91 -0.32 116.57 118.75 3kp1 h LYS 142 Ca 0.06 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3kp1 h LYS 142 Cb 0.89 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 3kp1 h LYS 142 CO 0.08 0.05 0.62 0.00 -2.27 0.00 0.00 179.45 177.93 3kp1 h ALA 143 N 0.78 1.41 -0.07 5.00 0.00 -1.18 -1.89 119.26 123.30 3kp1 h ALA 143 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3kp1 h ALA 143 Cb 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kp1 h ALA 143 CO 0.01 0.49 -0.38 -0.07 0.00 0.00 0.00 179.25 179.30 3kp1 h LEU 144 N 1.17 0.15 -0.87 0.00 3.38 -0.82 -1.59 115.31 116.73 3kp1 h LEU 144 Ca 0.38 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.37 3kp1 h LEU 144 Cb 0.05 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3kp1 h LEU 144 CO -0.12 0.52 0.53 0.44 0.09 0.00 0.00 178.44 179.90 3kp1 h ASP 145 N 0.13 0.82 -0.06 -0.43 3.32 -0.23 0.50 116.42 120.47 3kp1 h ASP 145 Ca 0.01 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3kp1 h ASP 145 Cb 0.73 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3kp1 h ASP 145 CO 0.06 0.50 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.76 3kp1 h LEU 146 N 0.94 0.32 -0.31 1.55 3.38 -1.20 -2.93 115.31 117.06 3kp1 h LEU 146 Ca 0.39 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3kp1 h LEU 146 Cb 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3kp1 h LEU 146 CO -0.20 0.91 0.15 0.40 0.09 0.00 0.00 178.44 179.80 3kp1 h ILE 147 N -0.25 0.98 0.00 1.22 2.04 -1.20 -1.30 117.51 119.00 3kp1 h ILE 147 Ca -0.01 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 3kp1 h ILE 147 Cb 0.90 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3kp1 h ILE 147 CO 0.05 0.06 -0.38 1.05 0.00 0.00 0.00 178.15 178.93 3kp1 h GLU 148 N 0.31 0.00 -0.24 2.37 4.11 -0.96 -1.16 114.58 119.01 3kp1 h GLU 148 Ca 0.13 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.41 3kp1 h GLU 148 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kp1 h GLU 148 CO -0.09 0.38 -0.47 0.93 0.07 0.00 0.00 179.01 179.83 3kp1 h GLU 149 N 0.00 0.64 -0.00 1.06 5.08 -1.28 -0.49 114.58 119.58 3kp1 h GLU 149 Ca -0.00 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kp1 h GLU 149 Cb 0.68 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3kp1 h GLU 149 CO 0.05 0.97 0.00 1.49 -1.00 0.00 0.00 179.01 180.52 3kp1 h GLU 150 N 0.51 0.00 0.00 2.33 4.81 -0.10 -3.11 114.58 119.02 3kp1 h GLU 150 Ca 0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3kp1 h GLU 150 Cb 1.01 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3kp1 h GLU 150 CO 0.09 0.25 0.00 -0.39 -0.73 0.00 0.00 179.01 178.23 3kp1 h VAL 151 N -0.24 0.00 0.00 0.32 -1.51 -1.34 -3.36 116.25 110.13 3kp1 h VAL 151 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3kp1 h VAL 151 Cb 0.24 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3kp1 h VAL 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kp1 n GLY 152 N 0.89 0.94 3.54 5.19 0.00 -0.24 -0.53 105.19 114.98 3kp1 n GLY 152 Ca 0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3kp1 n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kp1 s ARG 153 N -2.95 0.66 0.42 1.61 3.52 -0.91 -4.63 118.95 116.68 3kp1 s ARG 153 Ca 0.00 1.05 -0.26 0.00 -0.13 0.00 0.00 55.73 56.39 3kp1 s ARG 153 Cb 0.00 0.18 -0.09 0.00 -1.56 0.00 0.00 34.95 33.47 3kp1 s ARG 153 CO 0.00 -0.13 1.34 -2.30 -0.81 0.00 0.00 175.30 173.40 3kp1 n PRO 154 N 3.83 2.09 -4.62 5.12 -0.02 -1.26 -4.67 135.00 135.46 3kp1 n PRO 154 Ca -0.19 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3kp1 n PRO 154 Cb 0.57 -2.48 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 3kp1 n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kp1 s ILE 155 N -1.19 3.46 -0.24 4.25 1.01 -1.26 -4.88 121.20 122.35 3kp1 s ILE 155 Ca 0.60 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 60.47 3kp1 s ILE 155 Cb -0.49 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3kp1 s ILE 155 CO 0.58 0.53 0.90 0.20 0.00 0.00 0.00 174.94 177.15 3kp1 s ASN 156 N 0.14 6.92 -0.03 3.58 0.01 -0.03 -4.95 114.94 120.57 3kp1 s ASN 156 Ca -0.04 1.14 -0.16 0.00 -0.71 0.00 0.00 52.86 53.09 3kp1 s ASN 156 Cb -0.14 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 3kp1 s ASN 156 CO 0.04 -0.57 0.43 -0.47 -1.51 0.00 0.00 177.10 175.01 3kp1 s TYR 157 N 2.97 3.67 -0.11 2.20 5.04 -1.26 -0.62 117.35 129.24 3kp1 s TYR 157 Ca 0.38 0.97 -0.09 0.00 -2.44 0.00 0.00 57.07 55.89 3kp1 s TYR 157 Cb -0.15 -2.37 0.03 0.00 0.35 0.00 0.00 41.96 39.82 3kp1 s TYR 157 CO 0.07 0.50 0.27 -1.58 -1.34 0.00 0.00 175.55 173.48 3kp1 s HIS 158 N -0.59 -0.32 0.00 4.97 5.65 -0.59 -0.86 115.29 123.55 3kp1 s HIS 158 Ca 0.24 0.76 0.00 0.00 0.25 0.00 0.00 55.06 56.32 3kp1 s HIS 158 Cb -0.16 0.10 0.00 0.00 -1.18 0.00 0.00 32.58 31.34 3kp1 s HIS 158 CO 0.12 -0.17 0.00 0.45 -0.65 0.00 0.00 174.74 174.50 3kp1 n SER 159 N 3.23 0.00 -4.22 9.88 2.88 -1.09 -1.09 113.62 123.20 3kp1 n SER 159 Ca -0.16 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.08 3kp1 n SER 159 Cb 0.57 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.86 3kp1 n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kp1 s TYR 160 N -0.65 2.37 -2.19 0.66 2.02 -1.26 -1.32 117.35 116.97 3kp1 s TYR 160 Ca 0.00 -0.83 0.23 0.00 -0.37 0.00 0.00 57.07 56.10 3kp1 s TYR 160 Cb 0.00 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 40.05 3kp1 s TYR 160 CO 0.00 -0.30 1.14 0.28 -1.57 0.00 0.00 175.55 175.10 3kp1 n VAL 161 N 3.26 0.00 -0.96 0.71 0.31 -0.37 -4.91 118.33 116.37 3kp1 n VAL 161 Ca -0.18 -0.29 -0.34 0.00 -0.01 0.00 0.00 64.34 63.51 3kp1 n VAL 161 Cb 0.52 1.26 0.11 0.00 -0.91 0.00 0.00 33.84 34.82 3kp1 n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kp1 n SER 162 N 0.19 -1.46 0.00 4.52 7.64 -1.25 -3.87 113.62 119.38 3kp1 n SER 162 Ca 0.10 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3kp1 n SER 162 Cb 0.49 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3kp1 n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kp1 n GLY 163 N 1.42 -0.93 0.01 0.23 0.00 -1.26 -4.58 105.19 100.08 3kp1 n GLY 163 Ca 0.08 -2.16 0.15 0.00 0.00 0.00 0.00 46.02 44.10 3kp1 n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kp1 n VAL 164 N -0.00 0.00 -2.02 1.61 0.24 -0.50 -3.56 118.33 114.10 3kp1 n VAL 164 Ca 0.00 -0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3kp1 n VAL 164 Cb 0.00 -0.48 0.08 0.00 -1.47 0.00 0.00 33.84 31.97 3kp1 n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kp1 n ALA 165 N -1.22 4.18 0.03 2.33 0.00 -1.26 -4.84 120.51 119.74 3kp1 n ALA 165 Ca 0.16 -3.44 -0.15 0.00 0.00 0.00 0.00 53.44 50.01 3kp1 n ALA 165 Cb 0.22 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 3kp1 n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kp1 h GLY 166 N 1.81 -0.98 0.25 0.00 0.00 -1.67 -1.08 103.07 101.40 3kp1 h GLY 166 Ca 0.17 0.62 0.13 0.00 0.00 0.00 0.00 47.33 48.25 3kp1 h GLY 166 CO 0.43 -0.23 0.38 -2.55 0.00 0.00 0.00 176.54 174.57 3kp1 h PRO 167 N -0.61 0.55 0.41 4.80 0.11 -1.87 0.36 132.00 135.75 3kp1 h PRO 167 Ca 0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3kp1 h PRO 167 Cb 0.69 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3kp1 h PRO 167 CO -0.38 0.36 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.01 3kp1 h ASP 168 N 0.57 -0.86 -0.79 -2.05 5.19 -1.83 -1.51 116.42 115.14 3kp1 h ASP 168 Ca 0.43 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.90 3kp1 h ASP 168 Cb 0.59 0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.33 3kp1 h ASP 168 CO -0.35 -0.48 0.49 0.40 -3.12 0.00 0.00 179.24 176.17 3kp1 h ILE 169 N -0.74 1.22 -0.53 0.35 2.04 -0.33 -2.44 117.51 117.08 3kp1 h ILE 169 Ca -0.04 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3kp1 h ILE 169 Cb 0.64 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3kp1 h ILE 169 CO -0.01 0.22 0.35 0.00 0.00 0.00 0.00 178.15 178.72 3kp1 h ALA 170 N 1.26 0.67 -0.22 1.87 0.00 -0.11 0.17 119.26 122.91 3kp1 h ALA 170 Ca 0.29 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3kp1 h ALA 170 Cb -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3kp1 h ALA 170 CO -0.06 0.11 -0.08 0.28 0.00 0.00 0.00 179.25 179.51 3kp1 h VAL 171 N 0.71 0.73 -0.32 0.00 2.07 -0.91 0.12 116.25 118.66 3kp1 h VAL 171 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 3kp1 h VAL 171 Cb -0.08 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kp1 h VAL 171 CO -0.05 0.00 0.15 -0.03 0.02 0.00 0.00 177.57 177.66 3kp1 h MET 172 N -0.03 0.47 -0.70 1.57 -1.53 -0.89 -0.99 114.93 112.82 3kp1 h MET 172 Ca 0.11 -0.07 0.06 0.00 -3.44 0.00 0.00 59.70 56.36 3kp1 h MET 172 Cb 0.21 -0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.12 3kp1 h MET 172 CO -0.25 0.44 0.40 0.74 0.14 0.00 0.00 176.91 178.38 3kp1 h PHE 173 N 0.38 0.74 -0.85 1.39 -1.00 -0.39 -0.67 116.94 116.54 3kp1 h PHE 173 Ca 0.11 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 3kp1 h PHE 173 Cb 0.13 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.42 3kp1 h PHE 173 CO -0.02 0.37 0.48 0.00 -1.61 0.00 0.00 178.31 177.54 3kp1 h ALA 174 N 1.35 1.09 -0.30 2.45 0.00 -0.40 -1.59 119.26 121.86 3kp1 h ALA 174 Ca 0.31 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3kp1 h ALA 174 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kp1 h ALA 174 CO -0.17 0.59 -0.44 0.93 0.00 0.00 0.00 179.25 180.16 3kp1 h GLU 175 N 1.18 0.77 -0.36 0.00 5.08 -0.54 -3.26 114.58 117.45 3kp1 h GLU 175 Ca 0.30 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3kp1 h GLU 175 Cb 0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3kp1 h GLU 175 CO -0.05 1.05 0.00 0.39 -1.00 0.00 0.00 179.01 179.40 3kp1 n GLU 176 N -4.03 2.05 -1.83 2.33 -0.58 -0.32 -4.80 120.64 113.46 3kp1 n GLU 176 Ca -0.02 -1.60 -0.06 0.00 -0.42 0.00 0.00 57.16 55.05 3kp1 n GLU 176 Cb 0.56 -1.40 -0.01 0.00 -0.57 0.00 0.00 31.44 30.02 3kp1 n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kp1 n GLY 177 N 1.26 0.34 3.74 0.62 0.00 -0.92 -4.66 105.19 105.56 3kp1 n GLY 177 Ca 0.16 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3kp1 n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp1 s VAL 178 N -2.28 2.57 -0.12 1.61 1.01 -0.64 -4.71 120.40 117.84 3kp1 s VAL 178 Ca 0.00 0.45 0.16 0.00 0.00 0.00 0.00 61.98 62.60 3kp1 s VAL 178 Cb 0.00 -3.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.97 3kp1 s VAL 178 CO 0.00 0.06 0.90 0.78 0.00 0.00 0.00 175.10 176.84 3kp1 h ASN 179 N 5.67 0.00 -5.09 3.32 4.21 -1.28 -3.43 115.58 118.99 3kp1 h ASN 179 Ca -0.45 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.01 3kp1 h ASN 179 Cb 1.21 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.29 3kp1 h ASN 179 CO 0.83 0.59 -0.07 -0.83 -1.29 0.00 0.00 177.43 176.66 3kp1 s GLY 180 N -4.76 -0.20 0.06 2.83 0.00 -0.99 -2.06 107.32 102.20 3kp1 s GLY 180 Ca -0.02 -0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.33 3kp1 s GLY 180 CO 0.80 -0.34 0.58 0.00 0.00 0.00 0.00 173.10 174.14 3kp1 s ALA 181 N -3.82 -1.49 0.07 3.20 0.00 -0.48 -2.68 121.76 116.56 3kp1 s ALA 181 Ca 0.05 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 3kp1 s ALA 181 Cb 0.02 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 3kp1 s ALA 181 CO -0.10 -0.56 1.04 -1.01 0.00 0.00 0.00 175.76 175.13 3kp1 s HIS 182 N -2.64 3.64 -0.22 0.00 3.76 -0.43 -1.72 115.29 117.68 3kp1 s HIS 182 Ca -0.04 1.62 -0.08 0.00 -0.15 0.00 0.00 55.06 56.41 3kp1 s HIS 182 Cb -0.01 -3.20 0.10 0.00 1.11 0.00 0.00 32.58 30.59 3kp1 s HIS 182 CO -0.03 -0.34 0.47 -1.14 -0.85 0.00 0.00 174.74 172.85 3kp1 s GLN 183 N 0.55 0.38 -0.29 1.40 -0.44 -0.82 -1.23 119.66 119.22 3kp1 s GLN 183 Ca 0.52 1.12 -0.00 0.00 -2.50 0.00 0.00 55.36 54.50 3kp1 s GLN 183 Cb -0.25 0.44 0.18 0.00 -1.64 0.00 0.00 33.01 31.74 3kp1 s GLN 183 CO 0.30 -0.24 0.54 0.34 0.50 0.00 0.00 175.29 176.73 3kp1 s ASP 184 N 2.67 -0.95 0.56 6.67 -1.08 -1.26 -4.61 116.67 118.65 3kp1 s ASP 184 Ca -0.03 0.59 0.26 0.00 -0.52 0.00 0.00 52.55 52.85 3kp1 s ASP 184 Cb -0.12 1.86 1.47 0.00 -1.46 0.00 0.00 42.92 44.67 3kp1 s ASP 184 CO -0.14 -0.28 2.02 1.55 0.52 0.00 0.00 175.17 178.84 3kp1 h PRO 185 N 8.05 0.00 -0.46 4.34 0.13 -1.98 -1.65 132.00 140.43 3kp1 h PRO 185 Ca -0.19 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.86 3kp1 h PRO 185 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3kp1 h PRO 185 CO 0.25 0.00 -0.05 1.96 -0.23 0.00 0.00 178.00 179.94 3kp1 h GLN 186 N 0.00 0.79 -0.11 0.86 4.20 -1.96 -2.72 115.11 116.18 3kp1 h GLN 186 Ca 0.19 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3kp1 h GLN 186 Cb 0.84 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3kp1 h GLN 186 CO -0.00 0.83 0.02 -0.92 -0.67 0.00 0.00 178.83 178.09 3kp1 h TYR 187 N 0.73 0.04 -0.65 2.96 3.20 -1.65 0.69 116.97 122.28 3kp1 h TYR 187 Ca 0.14 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.13 3kp1 h TYR 187 Cb 0.51 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.69 3kp1 h TYR 187 CO 0.03 0.01 0.19 -0.91 -1.64 0.00 0.00 178.16 175.84 3kp1 h ASN 188 N 0.07 0.11 0.40 -2.11 2.35 -1.52 -1.90 115.58 112.98 3kp1 h ASN 188 Ca 0.05 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3kp1 h ASN 188 Cb 0.04 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3kp1 h ASN 188 CO -0.06 0.05 -0.19 0.58 -1.65 0.00 0.00 177.43 176.15 3kp1 h VAL 189 N 0.33 0.04 -0.52 2.81 2.07 -1.24 -0.06 116.25 119.68 3kp1 h VAL 189 Ca 0.35 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 3kp1 h VAL 189 Cb 0.52 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3kp1 h VAL 189 CO -0.40 0.01 -0.10 -0.07 0.02 0.00 0.00 177.57 177.03 3kp1 h LEU 190 N -1.13 0.99 0.00 2.57 3.38 -0.84 -2.01 115.31 118.27 3kp1 h LEU 190 Ca -0.06 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3kp1 h LEU 190 Cb 0.43 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kp1 h LEU 190 CO 0.09 1.11 -1.35 -1.22 0.09 0.00 0.00 178.44 177.16 3kp1 n TYR 191 N -4.19 0.00 0.11 1.13 4.01 -0.72 -4.50 117.16 113.00 3kp1 n TYR 191 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 3kp1 n TYR 191 Cb 0.39 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 39.22 3kp1 n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kp1 n ARG 192 N -1.79 -0.30 -3.92 -0.72 5.12 -1.15 -5.02 116.66 108.87 3kp1 n ARG 192 Ca -0.01 -0.76 -0.27 0.00 -1.93 0.00 0.00 57.85 54.88 3kp1 n ARG 192 Cb 0.30 -1.06 -0.00 0.00 -1.16 0.00 0.00 32.46 30.54 3kp1 n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kp1 n ASN 193 N 0.14 -1.70 -4.81 0.55 5.15 -0.75 -4.82 115.26 109.02 3kp1 n ASN 193 Ca 0.02 -0.92 -0.38 0.00 -0.60 0.00 0.00 54.58 52.70 3kp1 n ASN 193 Cb 0.09 -3.40 -0.06 0.00 -0.53 0.00 0.00 39.78 35.88 3kp1 n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kp1 s ILE 194 N -3.68 4.70 0.16 -1.44 1.01 -0.09 -1.13 121.20 120.73 3kp1 s ILE 194 Ca 0.22 1.21 -0.34 0.00 0.00 0.00 0.00 60.65 61.74 3kp1 s ILE 194 Cb -0.11 -3.89 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 3kp1 s ILE 194 CO 0.87 0.45 1.44 -3.20 0.00 0.00 0.00 174.94 174.50 3kp1 n ASN 195 N 1.42 2.48 0.08 3.58 2.85 -0.00 -4.10 115.26 121.57 3kp1 n ASN 195 Ca -0.08 1.11 -0.03 0.00 -0.11 0.00 0.00 54.58 55.47 3kp1 n ASN 195 Cb 0.51 -1.35 0.18 0.00 1.24 0.00 0.00 39.78 40.36 3kp1 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kp1 h MET 196 N 4.92 0.26 -0.09 1.20 -0.00 -1.83 -0.30 114.93 119.09 3kp1 h MET 196 Ca -0.45 -0.14 -0.03 0.00 -0.00 0.00 0.00 59.70 59.07 3kp1 h MET 196 Cb 1.29 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.89 3kp1 h MET 196 CO 0.81 0.69 -0.06 0.82 -0.00 0.00 0.00 176.91 179.17 3kp1 h ILE 197 N 0.21 1.33 -0.65 -0.10 2.04 -1.90 -2.41 117.51 116.03 3kp1 h ILE 197 Ca 0.01 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 64.85 3kp1 h ILE 197 Cb 0.93 1.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.81 3kp1 h ILE 197 CO 0.08 0.31 0.30 -0.09 0.00 0.00 0.00 178.15 178.74 3kp1 h ARG 198 N -0.18 0.50 0.08 2.37 9.65 -1.84 -2.39 114.38 122.57 3kp1 h ARG 198 Ca 0.02 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3kp1 h ARG 198 Cb 0.52 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 3kp1 h ARG 198 CO 0.02 0.33 -0.04 1.03 2.80 0.00 0.00 179.97 184.11 3kp1 h SER 199 N 0.52 -0.09 0.62 -3.80 0.87 -0.94 -0.94 113.55 109.80 3kp1 h SER 199 Ca 0.32 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.67 3kp1 h SER 199 Cb 0.35 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3kp1 h SER 199 CO -0.27 0.01 -0.67 -0.26 -0.53 0.00 0.00 176.83 175.11 3kp1 h PHE 200 N -0.17 0.05 -0.19 2.24 -1.00 -1.37 -0.99 116.94 115.51 3kp1 h PHE 200 Ca -0.01 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.68 3kp1 h PHE 200 Cb 0.15 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3kp1 h PHE 200 CO -0.05 0.70 -0.16 0.82 -1.61 0.00 0.00 178.31 178.01 3kp1 h ILE 201 N 0.03 1.33 -0.82 -0.55 2.04 -1.36 -3.00 117.51 115.17 3kp1 h ILE 201 Ca -0.01 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.57 3kp1 h ILE 201 Cb 1.19 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 3kp1 h ILE 201 CO 0.09 0.39 0.54 0.44 0.00 0.00 0.00 178.15 179.61 3kp1 h ASP 202 N 0.11 0.95 -0.24 1.72 5.19 -1.08 -2.96 116.42 120.12 3kp1 h ASP 202 Ca 0.03 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 3kp1 h ASP 202 Cb 0.68 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 3kp1 h ASP 202 CO 0.04 0.69 0.03 0.00 -3.12 0.00 0.00 179.24 176.88 3kp1 h ALA 203 N 1.48 1.44 -0.93 3.45 0.00 -1.11 -0.67 119.26 122.92 3kp1 h ALA 203 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kp1 h ALA 203 Cb -0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3kp1 h ALA 203 CO -0.06 0.40 0.59 0.00 0.00 0.00 0.00 179.25 180.18 3kp1 h GLU 205 N 1.27 0.21 -0.33 0.00 4.57 -1.46 -2.82 114.58 116.01 3kp1 h GLU 205 Ca 0.34 -0.23 0.07 0.00 -1.18 0.00 0.00 59.36 58.36 3kp1 h GLU 205 Cb -0.10 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.47 3kp1 h GLU 205 CO -0.07 0.96 -0.20 0.77 -1.18 0.00 0.00 179.01 179.30 3kp1 h SER 206 N -0.45 -0.67 0.44 1.04 0.02 -1.00 -1.55 113.55 111.38 3kp1 h SER 206 Ca -0.04 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3kp1 h SER 206 Cb 1.08 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 3kp1 h SER 206 CO 0.06 -0.23 -0.38 0.11 -1.14 0.00 0.00 176.83 175.25 3kp1 h LYS 207 N -0.16 0.00 -0.42 3.45 1.57 -1.19 -1.46 116.57 118.37 3kp1 h LYS 207 Ca 0.17 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 3kp1 h LYS 207 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3kp1 h LYS 207 CO -0.43 0.38 -0.29 1.15 -0.57 0.00 0.00 179.45 179.69 3kp1 h THR 208 N 0.00 1.27 -0.43 -0.16 2.02 -1.12 -1.22 112.91 113.27 3kp1 h THR 208 Ca -0.00 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 3kp1 h THR 208 Cb 0.70 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 3kp1 h THR 208 CO 0.05 0.49 0.03 0.40 0.37 0.00 0.00 175.52 176.86 3kp1 h ILE 209 N 0.76 1.25 -0.66 3.11 2.04 -0.96 -1.91 117.51 121.14 3kp1 h ILE 209 Ca 0.08 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3kp1 h ILE 209 Cb 0.87 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3kp1 h ILE 209 CO 0.08 0.33 0.44 0.24 0.00 0.00 0.00 178.15 179.24 3kp1 h MET 210 N 0.59 0.87 -0.69 2.37 2.86 -1.17 -1.93 114.93 117.83 3kp1 h MET 210 Ca 0.13 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3kp1 h MET 210 Cb 0.44 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3kp1 h MET 210 CO 0.02 0.58 0.39 0.00 1.06 0.00 0.00 176.91 178.95 3kp1 h ALA 211 N 1.24 0.88 -0.56 6.32 0.00 -1.16 -1.47 119.26 124.52 3kp1 h ALA 211 Ca 0.24 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3kp1 h ALA 211 Cb -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3kp1 h ALA 211 CO -0.05 0.38 0.37 2.35 0.00 0.00 0.00 179.25 182.30 3kp1 h TRP 212 N 0.94 0.48 -0.13 0.00 7.01 -0.91 -1.79 115.95 121.55 3kp1 h TRP 212 Ca 0.24 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3kp1 h TRP 212 Cb 0.02 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 3kp1 h TRP 212 CO -0.01 0.25 0.00 0.00 -2.79 0.00 0.00 178.44 175.89 3kp1 n ALA 213 N -2.50 2.53 -3.90 2.65 0.00 -0.62 -4.92 120.51 113.75 3kp1 n ALA 213 Ca 0.08 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 3kp1 n ALA 213 Cb 0.28 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.65 3kp1 n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kp1 n ASP 214 N 0.31 -4.03 -4.86 0.00 2.03 -0.67 -3.65 116.55 105.68 3kp1 n ASP 214 Ca 0.17 -0.81 -0.32 0.00 0.52 0.00 0.00 54.79 54.36 3kp1 n ASP 214 Cb 0.34 -3.82 -0.05 0.00 -0.72 0.00 0.00 41.12 36.87 3kp1 n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kp1 s MET 215 N -6.54 3.90 0.33 -0.67 -1.94 -0.81 -1.92 119.30 111.64 3kp1 s MET 215 Ca 0.55 0.54 -0.25 0.00 -1.71 0.00 0.00 55.69 54.81 3kp1 s MET 215 Cb -0.28 -2.46 -0.10 0.00 2.01 0.00 0.00 34.83 34.01 3kp1 s MET 215 CO 0.84 0.13 0.94 0.00 -0.01 0.00 0.00 175.02 176.91 3kp1 s ALA 216 N -2.07 3.20 -0.10 3.03 0.00 -0.87 -4.80 121.76 120.15 3kp1 s ALA 216 Ca 0.52 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.01 3kp1 s ALA 216 Cb -0.10 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3kp1 s ALA 216 CO 0.22 0.18 -0.20 -1.14 0.00 0.00 0.00 175.76 174.82 3kp1 s GLN 217 N -2.14 3.03 -0.09 0.00 0.74 0.56 -1.38 119.66 120.39 3kp1 s GLN 217 Ca 0.51 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 55.10 3kp1 s GLN 217 Cb -0.18 -2.39 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 3kp1 s GLN 217 CO 0.23 0.26 -0.05 0.42 -0.55 0.00 0.00 175.29 175.60 3kp1 s ILE 218 N 0.17 3.87 0.35 -2.34 1.01 -0.70 -0.46 121.20 123.11 3kp1 s ILE 218 Ca -0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3kp1 s ILE 218 Cb -0.16 -2.61 0.07 0.00 0.01 0.00 0.00 42.46 39.77 3kp1 s ILE 218 CO 0.06 0.58 0.48 -0.90 0.00 0.00 0.00 174.94 175.17 3kp1 n ASP 219 N 2.44 0.53 -1.03 3.58 5.68 -0.93 -1.94 116.55 124.89 3kp1 n ASP 219 Ca -0.18 -1.47 0.10 0.00 -0.50 0.00 0.00 54.79 52.74 3kp1 n ASP 219 Cb 0.53 -0.32 0.22 0.00 -1.14 0.00 0.00 41.12 40.40 3kp1 n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kp1 n GLY 223 N 1.43 2.00 0.32 6.12 0.00 -1.26 -4.57 105.19 109.22 3kp1 n GLY 223 Ca 0.08 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.53 3kp1 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 h ALA 224 N 3.67 1.82 -0.49 4.61 0.00 -1.94 -1.79 119.26 125.14 3kp1 h ALA 224 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3kp1 h ALA 224 Cb 0.88 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kp1 h ALA 224 CO 0.00 0.13 0.56 1.12 0.00 0.00 0.00 179.25 181.06 3kp1 h HIS 225 N 0.47 0.00 0.00 0.00 2.07 -1.83 -0.96 115.15 114.89 3kp1 h HIS 225 Ca 0.17 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.63 3kp1 h HIS 225 Cb 0.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 3kp1 h HIS 225 CO -0.00 0.00 -0.32 -0.91 -3.07 0.00 0.00 177.93 173.63 3kp1 h ASN 226 N 0.00 0.00 0.40 3.10 2.35 -1.69 -2.50 115.58 117.24 3kp1 h ASN 226 Ca 0.23 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 3kp1 h ASN 226 Cb 1.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 3kp1 h ASN 226 CO -0.00 0.32 -0.48 0.00 -1.65 0.00 0.00 177.43 175.62 3kp1 h ALA 227 N 1.68 1.12 -0.31 -0.83 0.00 -1.38 -2.75 119.26 116.79 3kp1 h ALA 227 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3kp1 h ALA 227 Cb 0.58 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3kp1 h ALA 227 CO 0.04 0.62 0.11 -0.91 0.00 0.00 0.00 179.25 179.12 3kp1 h ASN 228 N 0.08 0.13 0.10 0.00 4.21 -1.54 -1.40 115.58 117.15 3kp1 h ASN 228 Ca 0.00 0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.48 3kp1 h ASN 228 Cb 0.89 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.09 3kp1 h ASN 228 CO 0.07 0.11 -0.21 0.00 -1.29 0.00 0.00 177.43 176.11 3kp1 h ALA 229 N 1.19 1.42 -0.01 -0.83 0.00 -1.46 -3.08 119.26 116.49 3kp1 h ALA 229 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kp1 h ALA 229 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kp1 h ALA 229 CO -0.14 0.41 -0.70 0.25 0.00 0.00 0.00 179.25 179.07 3kp1 n THR 230 N -4.21 0.00 -2.03 0.00 -2.24 -1.06 -4.92 114.28 99.81 3kp1 n THR 230 Ca -0.01 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 3kp1 n THR 230 Cb 0.32 1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3kp1 n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kp1 s ALA 231 N -2.66 3.27 -0.06 6.98 0.00 -0.54 -4.96 121.76 123.79 3kp1 s ALA 231 Ca 0.13 1.25 -0.26 0.00 0.00 0.00 0.00 51.96 53.08 3kp1 s ALA 231 Cb 0.17 -3.49 -0.21 0.00 0.00 0.00 0.00 23.12 19.58 3kp1 s ALA 231 CO 0.69 -0.85 1.10 0.00 0.00 0.00 0.00 175.76 176.70 3kp1 h ARG 232 N 2.67 -0.02 -4.63 0.00 2.47 -1.89 -3.41 114.38 109.57 3kp1 h ARG 232 Ca -0.50 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.58 3kp1 h ARG 232 Cb 1.25 0.01 -0.38 0.00 -1.65 0.00 0.00 29.97 29.19 3kp1 h ARG 232 CO 0.63 0.59 -0.78 -1.21 0.56 0.00 0.00 179.97 179.75 3kp1 s GLU 233 N -3.65 1.89 0.50 0.04 8.01 -1.26 -5.01 118.70 119.22 3kp1 s GLU 233 Ca -0.16 -1.27 0.33 0.00 0.01 0.00 0.00 54.97 53.88 3kp1 s GLU 233 Cb 0.00 -2.79 1.61 0.00 -4.31 0.00 0.00 34.13 28.65 3kp1 s GLU 233 CO 0.66 -0.63 2.01 0.00 0.01 0.00 0.00 175.26 177.30 3kp1 h ALA 234 N 7.83 1.00 0.00 5.21 0.00 -1.84 -0.65 119.26 130.81 3kp1 h ALA 234 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kp1 h ALA 234 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kp1 h ALA 234 CO 0.45 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 177.03 3kp1 n TRP 235 N -2.80 0.00 0.40 0.00 2.14 -1.26 -2.66 117.44 113.25 3kp1 n TRP 235 Ca -0.01 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.61 3kp1 n TRP 235 Cb 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.65 3kp1 n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3kp1 n LYS 236 N -0.93 3.04 0.00 -2.67 5.02 -0.25 -4.69 118.16 117.69 3kp1 n LYS 236 Ca 0.15 -0.32 0.14 0.00 -2.02 0.00 0.00 58.31 56.26 3kp1 n LYS 236 Cb 0.07 -0.98 0.50 0.00 -0.02 0.00 0.00 35.03 34.59 3kp1 n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kp1 n VAL 237 N -0.68 0.00 -0.34 -0.18 3.14 -1.09 -4.24 118.33 114.95 3kp1 n VAL 237 Ca 0.03 -0.23 0.06 0.00 -2.96 0.00 0.00 64.34 61.24 3kp1 n VAL 237 Cb 0.16 0.48 0.21 0.00 -1.06 0.00 0.00 33.84 33.64 3kp1 n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kp1 h MET 238 N 2.13 0.88 -0.65 1.45 2.86 -1.84 -1.54 114.93 118.22 3kp1 h MET 238 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3kp1 h MET 238 Cb 0.50 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 3kp1 h MET 238 CO 0.00 0.58 0.36 -1.35 1.06 0.00 0.00 176.91 177.56 3kp1 h PRO 239 N 0.91 0.90 -0.66 -0.22 0.11 -1.90 -1.81 132.00 129.33 3kp1 h PRO 239 Ca 0.46 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.40 3kp1 h PRO 239 Cb 0.46 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3kp1 h PRO 239 CO -0.27 0.68 0.13 1.49 -0.21 0.00 0.00 178.00 179.82 3kp1 h GLU 240 N 0.89 1.08 -0.44 1.05 4.81 -1.74 -2.19 114.58 118.03 3kp1 h GLU 240 Ca 0.23 -0.27 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3kp1 h GLU 240 Cb 0.04 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3kp1 h GLU 240 CO -0.04 0.97 0.15 -0.07 -0.73 0.00 0.00 179.01 179.29 3kp1 h LEU 241 N 1.02 0.14 -0.93 1.64 3.38 -0.92 0.48 115.31 120.10 3kp1 h LEU 241 Ca 0.21 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kp1 h LEU 241 Cb 0.41 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3kp1 h LEU 241 CO 0.01 0.11 0.49 0.24 0.09 0.00 0.00 178.44 179.38 3kp1 h MET 242 N 0.31 1.24 -0.09 1.13 2.86 -1.00 0.17 114.93 119.56 3kp1 h MET 242 Ca 0.21 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3kp1 h MET 242 Cb 0.21 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 3kp1 h MET 242 CO -0.22 0.91 0.01 0.28 1.06 0.00 0.00 176.91 178.94 3kp1 h VAL 243 N 1.25 1.23 -0.20 -2.22 2.07 -0.84 0.02 116.25 117.57 3kp1 h VAL 243 Ca 0.32 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3kp1 h VAL 243 Cb 0.02 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3kp1 h VAL 243 CO -0.05 0.20 0.08 1.56 0.02 0.00 0.00 177.57 179.38 3kp1 h GLN 244 N -0.11 0.17 -0.42 1.57 4.20 -0.54 0.12 115.11 120.10 3kp1 h GLN 244 Ca 0.03 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.80 3kp1 h GLN 244 Cb 0.31 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 3kp1 h GLN 244 CO 0.00 0.11 0.02 0.45 -0.67 0.00 0.00 178.83 178.74 3kp1 h HIS 245 N 0.18 0.01 -0.60 2.96 3.86 -0.64 -2.49 115.15 118.43 3kp1 h HIS 245 Ca 0.08 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 3kp1 h HIS 245 Cb 0.04 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3kp1 h HIS 245 CO -0.11 -0.07 0.16 0.00 0.86 0.00 0.00 177.93 178.78 3kp1 h ALA 246 N 1.36 0.78 -0.37 2.45 0.00 -0.08 -1.07 119.26 122.34 3kp1 h ALA 246 Ca 0.21 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kp1 h ALA 246 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kp1 h ALA 246 CO -0.33 0.48 -0.06 -0.07 0.00 0.00 0.00 179.25 179.26 3kp1 h LEU 247 N 0.86 0.69 -0.82 0.00 3.38 -0.66 -1.44 115.31 117.32 3kp1 h LEU 247 Ca 0.19 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3kp1 h LEU 247 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kp1 h LEU 247 CO -0.00 0.88 -0.48 -1.13 0.09 0.00 0.00 178.44 177.80 3kp1 h ASN 248 N 0.49 0.29 0.14 -0.43 -1.24 -1.38 -2.26 115.58 111.20 3kp1 h ASN 248 Ca 0.10 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 3kp1 h ASN 248 Cb 0.56 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.53 3kp1 h ASN 248 CO 0.03 0.73 -0.07 0.28 -1.29 0.00 0.00 177.43 177.11 3kp1 h SER 249 N 0.22 -0.16 -0.13 1.15 0.02 -0.98 -1.36 113.55 112.31 3kp1 h SER 249 Ca 0.01 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.57 3kp1 h SER 249 Cb 0.93 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3kp1 h SER 249 CO 0.08 0.19 -0.32 -0.29 -1.14 0.00 0.00 176.83 175.35 3kp1 h ILE 250 N -0.54 1.28 -0.44 3.27 6.09 -1.32 -0.48 117.51 125.37 3kp1 h ILE 250 Ca -0.02 -1.44 -0.01 0.00 -1.37 0.00 0.00 64.86 62.03 3kp1 h ILE 250 Cb 0.42 1.40 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 3kp1 h ILE 250 CO 0.03 0.46 0.24 0.15 -3.07 0.00 0.00 178.15 175.96 3kp1 h PHE 251 N 0.53 0.60 -0.58 2.19 3.57 -1.45 -0.85 116.94 120.94 3kp1 h PHE 251 Ca 0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3kp1 h PHE 251 Cb 0.80 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3kp1 h PHE 251 CO 0.03 0.46 0.14 0.77 -2.23 0.00 0.00 178.31 177.48 3kp1 h SER 252 N 0.57 0.89 -0.15 0.41 0.02 -0.97 -1.46 113.55 112.86 3kp1 h SER 252 Ca 0.15 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3kp1 h SER 252 Cb 0.05 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3kp1 h SER 252 CO -0.02 0.89 0.09 0.25 -1.14 0.00 0.00 176.83 176.90 3kp1 h LEU 253 N 0.84 0.19 -1.44 5.07 5.85 -0.90 -2.09 115.31 122.83 3kp1 h LEU 253 Ca 0.18 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kp1 h LEU 253 Cb 0.35 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3kp1 h LEU 253 CO 0.00 0.19 -0.16 0.11 -0.34 0.00 0.00 178.44 178.25 3kp1 h LYS 254 N 0.17 0.00 -0.09 1.25 1.79 -1.01 -1.56 116.57 117.12 3kp1 h LYS 254 Ca 0.05 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 3kp1 h LYS 254 Cb 0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3kp1 h LYS 254 CO -0.01 0.16 -0.51 0.28 -1.08 0.00 0.00 179.45 178.29 3kp1 h VAL 255 N 0.00 1.35 0.00 0.50 2.07 -1.04 -3.47 116.25 115.66 3kp1 h VAL 255 Ca -0.00 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3kp1 h VAL 255 Cb 0.58 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3kp1 h VAL 255 CO 0.02 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.74 3kp1 n GLY 256 N 0.05 -0.05 3.80 2.17 0.00 -0.59 -4.89 105.19 105.68 3kp1 n GLY 256 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3kp1 n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kp1 s MET 257 N 0.00 3.71 0.22 1.61 -1.94 -0.82 -4.99 119.30 117.10 3kp1 s MET 257 Ca 0.00 1.35 -0.30 0.00 -1.71 0.00 0.00 55.69 55.04 3kp1 s MET 257 Cb 0.00 -2.08 -0.09 0.00 2.01 0.00 0.00 34.83 34.67 3kp1 s MET 257 CO 0.00 -0.51 1.07 0.15 -0.01 0.00 0.00 175.02 175.73 3kp1 s LYS 258 N -3.35 4.65 0.37 2.03 1.02 -1.26 -4.51 119.74 118.69 3kp1 s LYS 258 Ca 0.67 1.71 0.13 0.00 0.02 0.00 0.00 55.97 58.51 3kp1 s LYS 258 Cb -0.17 -3.25 0.96 0.00 -0.52 0.00 0.00 37.83 34.86 3kp1 s LYS 258 CO 0.23 0.19 1.79 0.87 -0.92 0.00 0.00 175.35 177.51 3kp1 h LYS 259 N 4.49 0.52 0.00 1.68 1.57 -1.93 0.86 116.57 123.75 3kp1 h LYS 259 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3kp1 h LYS 259 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3kp1 h LYS 259 CO 0.70 0.34 0.00 -1.13 -0.57 0.00 0.00 179.45 178.79 3kp1 n SER 260 N -4.66 0.00 -0.22 0.86 3.41 -1.26 -1.60 113.62 110.14 3kp1 n SER 260 Ca 0.23 -0.03 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 3kp1 n SER 260 Cb 0.73 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3kp1 n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kp1 n ASN 261 N -1.25 1.23 -4.50 4.04 3.02 0.27 -4.82 115.26 113.25 3kp1 n ASN 261 Ca 0.09 -1.12 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 3kp1 n ASN 261 Cb 0.13 0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.56 3kp1 n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kp1 s ILE 262 N -1.02 5.02 -0.18 2.41 1.01 -0.63 -0.32 121.20 127.49 3kp1 s ILE 262 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 3kp1 s ILE 262 Cb 0.06 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3kp1 s ILE 262 CO 0.17 -0.43 -0.08 0.00 0.00 0.00 0.00 174.94 174.60 3kp1 s LEU 264 N 0.91 4.37 -0.74 0.00 1.02 -0.26 -2.18 118.68 121.80 3kp1 s LEU 264 Ca -0.02 1.63 -0.20 0.00 0.02 0.00 0.00 54.13 55.57 3kp1 s LEU 264 Cb -0.15 -3.54 0.10 0.00 0.02 0.00 0.00 46.19 42.63 3kp1 s LEU 264 CO 0.00 -0.24 0.95 -0.55 0.02 0.00 0.00 176.35 176.54 3kp1 s SER 265 N 0.95 6.36 -0.25 2.29 0.15 -1.26 -0.48 113.70 121.46 3kp1 s SER 265 Ca 0.51 -1.53 -0.02 0.00 0.70 0.00 0.00 55.95 55.61 3kp1 s SER 265 Cb -0.21 -2.38 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3kp1 s SER 265 CO 0.27 -1.20 -0.05 0.28 1.20 0.00 0.00 173.24 173.74 3kp1 s THR 266 N 3.12 3.01 -0.21 6.45 -1.32 -0.42 -3.47 115.64 122.79 3kp1 s THR 266 Ca 0.23 -0.94 -0.05 0.00 -1.21 0.00 0.00 61.69 59.72 3kp1 s THR 266 Cb -0.14 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 3kp1 s THR 266 CO 0.02 0.21 -0.00 -0.69 -2.21 0.00 0.00 174.62 171.95 3kp1 s VAL 267 N 1.36 3.86 0.07 5.08 1.01 -1.26 -2.26 120.40 128.25 3kp1 s VAL 267 Ca 0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 61.98 61.30 3kp1 s VAL 267 Cb -0.16 -2.75 -0.14 0.00 0.00 0.00 0.00 36.38 33.32 3kp1 s VAL 267 CO -0.04 0.41 1.63 -2.65 0.00 0.00 0.00 175.10 174.45 3kp1 n PRO 268 N 4.46 1.97 0.09 2.72 -0.02 -1.26 -4.87 135.00 138.10 3kp1 n PRO 268 Ca -0.17 0.72 -0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3kp1 n PRO 268 Cb 0.51 -2.48 0.29 0.00 -0.02 0.00 0.00 33.50 31.81 3kp1 n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kp1 h PRO 269 N 6.60 0.27 -5.58 0.52 0.11 -1.92 -3.45 132.00 128.55 3kp1 h PRO 269 Ca -0.46 -0.09 -0.62 0.00 0.11 0.00 0.00 66.00 64.93 3kp1 h PRO 269 Cb 1.27 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 3kp1 h PRO 269 CO 0.89 0.52 -0.59 0.95 -0.21 0.00 0.00 178.00 179.56 3kp1 s THR 270 N -4.44 1.84 0.06 -1.15 -4.23 -1.26 -4.62 115.64 101.84 3kp1 s THR 270 Ca -0.05 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 3kp1 s THR 270 Cb 0.14 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 3kp1 s THR 270 CO 0.76 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.91 3kp1 s ALA 271 N -2.78 0.08 0.60 3.99 0.00 -1.26 -4.89 121.76 117.51 3kp1 s ALA 271 Ca 0.32 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 3kp1 s ALA 271 Cb 0.09 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 3kp1 s ALA 271 CO 0.16 -0.39 1.01 -2.30 0.00 0.00 0.00 175.76 174.24 3kp1 n PRO 272 N 0.33 0.96 -0.09 0.00 -0.02 -1.26 -1.79 135.00 133.13 3kp1 n PRO 272 Ca -0.16 0.37 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 3kp1 n PRO 272 Cb 0.60 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 3kp1 n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kp1 n PRO 273 N -1.03 1.39 -1.66 0.52 -0.04 -1.26 -5.08 135.00 127.84 3kp1 n PRO 273 Ca 0.14 -0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 62.82 3kp1 n PRO 273 Cb 0.47 -1.27 0.06 0.00 -0.04 0.00 0.00 33.50 32.72 3kp1 n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kp1 s ALA 274 N -1.66 2.38 -1.20 0.55 0.00 -0.74 -4.90 121.76 116.20 3kp1 s ALA 274 Ca 0.08 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 3kp1 s ALA 274 Cb 0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3kp1 s ALA 274 CO 0.04 -1.42 1.89 -0.35 0.00 0.00 0.00 175.76 175.92 3kp1 n PRO 275 N -2.55 2.23 0.03 0.00 -0.04 -1.26 -4.79 135.00 128.62 3kp1 n PRO 275 Ca 0.11 -2.68 -0.14 0.00 -0.04 0.00 0.00 63.50 60.75 3kp1 n PRO 275 Cb 0.52 -3.52 -0.03 0.00 -0.04 0.00 0.00 33.50 30.43 3kp1 n PRO 275 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kp1 h SER 276 N 8.48 0.69 -0.43 3.54 4.64 -1.90 -1.82 113.55 126.75 3kp1 h SER 276 Ca 0.35 -0.47 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3kp1 h SER 276 Cb 0.86 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 3kp1 h SER 276 CO 1.44 1.24 0.14 0.24 -0.87 0.00 0.00 176.83 179.02 3kp1 h MET 277 N 0.38 0.67 -0.40 4.77 2.86 -1.92 -0.86 114.93 120.42 3kp1 h MET 277 Ca -0.05 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 3kp1 h MET 277 Cb 1.40 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 3kp1 h MET 277 CO 0.15 0.65 -0.05 -0.92 1.06 0.00 0.00 176.91 177.80 3kp1 h TYR 278 N 0.55 0.70 0.07 -0.22 3.20 -1.93 -0.04 116.97 119.31 3kp1 h TYR 278 Ca 0.14 -0.10 -0.27 0.00 3.14 0.00 0.00 58.73 61.64 3kp1 h TYR 278 Cb 0.26 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.35 3kp1 h TYR 278 CO 0.01 0.70 -1.13 -0.07 -1.64 0.00 0.00 178.16 176.03 3kp1 h LEU 279 N 0.61 0.67 0.00 2.82 3.38 -1.24 -3.39 115.31 118.17 3kp1 h LEU 279 Ca 0.12 -0.61 -0.31 0.00 0.09 0.00 0.00 57.88 57.17 3kp1 h LEU 279 Cb 0.46 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3kp1 h LEU 279 CO 0.02 1.43 -1.85 0.47 0.09 0.00 0.00 178.44 178.60 3kp1 n ASP 280 N -3.73 0.76 -0.06 -0.43 8.00 -0.34 -4.31 116.55 116.44 3kp1 n ASP 280 Ca -0.10 0.33 -0.10 0.00 0.71 0.00 0.00 54.79 55.63 3kp1 n ASP 280 Cb 0.94 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 42.11 3kp1 n ASP 280 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kp1 h LEU 281 N 0.00 0.28 -1.13 0.64 5.85 -1.20 -0.74 115.31 119.01 3kp1 h LEU 281 Ca -0.34 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.42 3kp1 h LEU 281 Cb 2.06 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.96 3kp1 h LEU 281 CO 0.07 0.21 0.59 -0.65 -0.34 0.00 0.00 178.44 178.32 3kp1 h PRO 282 N 0.33 1.06 -0.60 5.25 0.11 -1.78 -0.66 132.00 135.72 3kp1 h PRO 282 Ca 0.09 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 3kp1 h PRO 282 Cb -0.04 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 30.81 3kp1 h PRO 282 CO -0.02 0.70 0.25 -0.92 -0.21 0.00 0.00 178.00 177.81 3kp1 h TYR 283 N 1.10 0.90 -0.40 0.65 3.20 -1.64 -0.36 116.97 120.42 3kp1 h TYR 283 Ca 0.37 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 3kp1 h TYR 283 Cb 0.08 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3kp1 h TYR 283 CO -0.00 0.71 0.22 0.00 -1.64 0.00 0.00 178.16 177.45 3kp1 h ALA 284 N 1.10 0.51 0.12 1.82 0.00 -0.48 -0.80 119.26 121.52 3kp1 h ALA 284 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kp1 h ALA 284 Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kp1 h ALA 284 CO -0.02 0.04 -0.06 0.28 0.00 0.00 0.00 179.25 179.49 3kp1 h VAL 285 N 0.51 0.90 -0.68 0.00 2.07 -1.04 -2.61 116.25 115.41 3kp1 h VAL 285 Ca 0.14 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3kp1 h VAL 285 Cb 0.06 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3kp1 h VAL 285 CO -0.02 0.02 0.40 0.00 0.02 0.00 0.00 177.57 177.99 3kp1 h ALA 286 N 0.69 0.90 -0.20 1.67 0.00 -0.92 -1.14 119.26 120.26 3kp1 h ALA 286 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kp1 h ALA 286 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kp1 h ALA 286 CO 0.03 0.12 0.10 1.25 0.00 0.00 0.00 179.25 180.75 3kp1 h LEU 287 N 0.76 0.16 -0.83 0.00 5.85 -1.11 -1.48 115.31 118.65 3kp1 h LEU 287 Ca 0.29 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3kp1 h LEU 287 Cb 0.11 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3kp1 h LEU 287 CO -0.14 0.12 -0.05 0.03 -0.34 0.00 0.00 178.44 178.06 3kp1 h ARG 288 N 0.22 0.00 0.04 1.25 3.08 -1.06 -0.39 114.38 117.51 3kp1 h ARG 288 Ca 0.08 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.92 3kp1 h ARG 288 Cb 0.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.08 3kp1 h ARG 288 CO -0.05 0.05 -0.82 0.93 -1.07 0.00 0.00 179.97 179.00 3kp1 h GLU 289 N 0.00 0.49 -0.03 0.04 5.08 -0.97 -3.05 114.58 116.14 3kp1 h GLU 289 Ca -0.00 -0.58 -0.14 0.00 -1.00 0.00 0.00 59.36 57.64 3kp1 h GLU 289 Cb 0.75 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3kp1 h GLU 289 CO 0.01 1.21 -0.60 1.98 -1.00 0.00 0.00 179.01 180.61 3kp1 h MET 290 N 0.03 0.11 -0.62 2.33 4.05 -1.07 -3.20 114.93 116.56 3kp1 h MET 290 Ca -0.11 -0.08 -0.27 0.00 -0.28 0.00 0.00 59.70 58.96 3kp1 h MET 290 Cb 1.53 0.01 -0.16 0.00 -0.80 0.00 0.00 31.60 32.19 3kp1 h MET 290 CO 0.16 0.68 0.23 1.19 0.23 0.00 0.00 176.91 179.40 3kp1 n PHE 291 N -3.85 1.96 -1.60 1.39 3.72 -0.17 -5.01 117.46 113.90 3kp1 n PHE 291 Ca -0.02 -1.50 -0.47 0.00 -0.05 0.00 0.00 57.45 55.41 3kp1 n PHE 291 Cb 0.61 -0.65 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 3kp1 n PHE 291 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3kp1 n GLU 292 N -0.84 1.39 0.00 -1.08 -0.00 -1.15 -1.33 120.64 117.63 3kp1 n GLU 292 Ca 0.41 0.49 0.00 0.00 -0.00 0.00 0.00 57.16 58.07 3kp1 n GLU 292 Cb 1.29 -1.99 0.00 0.00 -0.00 0.00 0.00 31.44 30.74 3kp1 n GLU 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kp1 n GLY 293 N 1.86 3.19 3.93 -1.84 0.00 -1.26 -5.05 105.19 106.01 3kp1 n GLY 293 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3kp1 n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kp1 s TYR 294 N -2.84 3.20 0.26 1.61 2.02 -0.44 -4.30 117.35 116.86 3kp1 s TYR 294 Ca 0.00 0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 57.00 3kp1 s TYR 294 Cb 0.00 -2.63 -0.08 0.00 -0.40 0.00 0.00 41.96 38.85 3kp1 s TYR 294 CO 0.00 -0.71 0.69 1.03 -1.57 0.00 0.00 175.55 174.99 3kp1 s ARG 295 N -4.85 4.06 -0.21 -0.62 1.81 -0.26 -5.00 118.95 113.88 3kp1 s ARG 295 Ca 0.53 0.67 -0.06 0.00 -1.72 0.00 0.00 55.73 55.15 3kp1 s ARG 295 Cb -0.10 -2.67 -0.03 0.00 -0.45 0.00 0.00 34.95 31.70 3kp1 s ARG 295 CO 0.42 0.29 0.02 -1.64 -0.68 0.00 0.00 175.30 173.72 3kp1 s MET 296 N -2.50 3.64 -0.48 3.54 -1.94 -1.26 -1.10 119.30 119.21 3kp1 s MET 296 Ca 0.48 -0.50 -0.08 0.00 -1.71 0.00 0.00 55.69 53.87 3kp1 s MET 296 Cb -0.13 -3.15 0.12 0.00 2.01 0.00 0.00 34.83 33.68 3kp1 s MET 296 CO 0.19 -0.03 0.34 0.50 -0.01 0.00 0.00 175.02 176.01 3kp1 s ARG 297 N 1.14 2.42 0.36 2.03 3.00 0.37 -0.51 118.95 127.76 3kp1 s ARG 297 Ca 0.03 -1.82 -0.26 0.00 -1.00 0.00 0.00 55.73 52.68 3kp1 s ARG 297 Cb -0.14 -3.87 -0.09 0.00 0.00 0.00 0.00 34.95 30.84 3kp1 s ARG 297 CO 0.02 -1.18 1.09 0.00 0.00 0.00 0.00 175.30 175.24 3kp1 s ALA 298 N 1.24 3.21 0.08 6.12 0.00 -0.18 -1.30 121.76 130.92 3kp1 s ALA 298 Ca 0.07 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3kp1 s ALA 298 Cb -0.25 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3kp1 s ALA 298 CO -0.02 -0.27 -0.07 -1.14 0.00 0.00 0.00 175.76 174.26 3kp1 s GLN 299 N -2.09 0.72 0.57 0.00 2.00 -0.96 -0.34 119.66 119.56 3kp1 s GLN 299 Ca 0.53 -1.12 -0.02 0.00 -2.00 0.00 0.00 55.36 52.76 3kp1 s GLN 299 Cb -0.27 -0.23 0.03 0.00 0.80 0.00 0.00 33.01 33.33 3kp1 s GLN 299 CO 0.35 0.01 0.82 -1.64 -0.50 0.00 0.00 175.29 174.33 3kp1 s MET 300 N -3.00 2.63 0.18 1.67 -1.94 -1.26 -4.25 119.30 113.34 3kp1 s MET 300 Ca 0.04 -0.50 -0.31 0.00 -1.71 0.00 0.00 55.69 53.21 3kp1 s MET 300 Cb -0.00 -2.40 -0.10 0.00 2.01 0.00 0.00 34.83 34.34 3kp1 s MET 300 CO -0.03 -0.73 1.49 1.21 -0.01 0.00 0.00 175.02 176.95 3kp1 s ASN 301 N -4.38 6.67 0.00 3.03 2.47 -1.26 -4.90 114.94 116.56 3kp1 s ASN 301 Ca 0.56 2.56 0.00 0.00 0.42 0.00 0.00 52.86 56.39 3kp1 s ASN 301 Cb -0.10 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3kp1 s ASN 301 CO 0.41 -0.74 0.00 0.35 -3.72 0.00 0.00 177.10 173.39 3kp1 n THR 302 N 3.48 0.00 0.02 -5.21 -2.24 -1.26 -4.89 114.28 104.17 3kp1 n THR 302 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 3kp1 n THR 302 Cb 0.40 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 3kp1 n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kp1 h LYS 303 N 0.00 0.05 -2.63 -0.78 3.64 -1.95 -3.25 116.57 111.65 3kp1 h LYS 303 Ca 0.00 -0.01 -0.77 0.00 -1.27 0.00 0.00 60.65 58.60 3kp1 h LYS 303 Cb 0.48 -0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 31.98 3kp1 h LYS 303 CO 0.00 0.10 0.58 0.66 -2.27 0.00 0.00 179.45 178.52 3kp1 n TYR 304 N -5.03 2.63 -4.00 1.91 4.01 -1.26 -4.95 117.16 110.47 3kp1 n TYR 304 Ca -0.06 -2.85 -0.10 0.00 -0.16 0.00 0.00 57.90 54.72 3kp1 n TYR 304 Cb 0.06 -1.10 -0.11 0.00 -0.31 0.00 0.00 39.34 37.87 3kp1 n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kp1 s MET 305 N -3.15 0.34 0.00 -0.72 1.75 -1.23 -4.87 119.30 111.42 3kp1 s MET 305 Ca 0.35 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 54.21 3kp1 s MET 305 Cb 0.11 -0.01 0.00 0.00 2.84 0.00 0.00 34.83 37.77 3kp1 s MET 305 CO 0.03 -0.02 0.00 0.39 -0.65 0.00 0.00 175.02 174.77 3kp1 n GLU 306 N 1.74 1.81 -0.26 4.11 -0.58 -1.26 -4.95 120.64 121.25 3kp1 n GLU 306 Ca -0.22 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.62 3kp1 n GLU 306 Cb 0.55 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.67 3kp1 n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kp1 n ALA 307 N -3.00 2.36 -2.58 0.62 0.00 -1.26 -3.98 120.51 112.67 3kp1 n ALA 307 Ca 0.00 -1.13 -0.40 0.00 0.00 0.00 0.00 53.44 51.91 3kp1 n ALA 307 Cb 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 3kp1 n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kp1 s SER 308 N -1.17 6.30 0.33 0.00 0.15 -1.26 -4.78 113.70 113.26 3kp1 s SER 308 Ca 0.39 0.12 0.06 0.00 0.70 0.00 0.00 55.95 57.23 3kp1 s SER 308 Cb 0.22 -2.24 0.58 0.00 -1.71 0.00 0.00 66.02 62.87 3kp1 s SER 308 CO 0.29 -0.34 1.81 0.71 1.20 0.00 0.00 173.24 176.91 3kp1 h THR 309 N 5.50 1.23 0.21 6.45 1.35 -1.90 -2.35 112.91 123.40 3kp1 h THR 309 Ca -0.29 -1.06 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 3kp1 h THR 309 Cb 1.14 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3kp1 h THR 309 CO 0.71 0.33 -0.11 -0.09 -0.25 0.00 0.00 175.52 176.11 3kp1 h ARG 310 N 0.32 -0.29 -0.73 4.72 2.43 -1.93 -0.52 114.38 118.38 3kp1 h ARG 310 Ca 0.06 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3kp1 h ARG 310 Cb 0.53 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 3kp1 h ARG 310 CO 0.04 -0.20 0.46 1.49 -1.51 0.00 0.00 179.97 180.25 3kp1 h GLU 311 N -0.31 0.86 -0.15 0.20 4.81 -1.93 -1.34 114.58 116.72 3kp1 h GLU 311 Ca -0.03 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3kp1 h GLU 311 Cb 0.24 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3kp1 h GLU 311 CO 0.04 0.57 0.08 0.00 -0.73 0.00 0.00 179.01 178.97 3kp1 h ALA 312 N 1.31 0.19 -0.74 2.92 0.00 -1.29 -2.22 119.26 119.43 3kp1 h ALA 312 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kp1 h ALA 312 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kp1 h ALA 312 CO -0.11 -0.35 0.47 1.15 0.00 0.00 0.00 179.25 180.41 3kp1 h THR 313 N 0.18 1.13 -0.41 0.00 2.02 -0.62 -0.75 112.91 114.45 3kp1 h THR 313 Ca 0.06 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3kp1 h THR 313 Cb 0.00 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 3kp1 h THR 313 CO -0.04 0.17 0.10 0.58 0.37 0.00 0.00 175.52 176.71 3kp1 h VAL 314 N 0.94 1.23 -0.83 3.16 2.07 -1.11 -1.48 116.25 120.23 3kp1 h VAL 314 Ca 0.29 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3kp1 h VAL 314 Cb -0.01 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3kp1 h VAL 314 CO -0.10 0.28 0.40 0.74 0.02 0.00 0.00 177.57 178.90 3kp1 h THR 315 N 0.53 1.26 -0.81 2.57 2.02 -1.09 -2.40 112.91 114.98 3kp1 h THR 315 Ca 0.13 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3kp1 h THR 315 Cb 0.31 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 3kp1 h THR 315 CO 0.00 0.31 0.50 0.45 0.37 0.00 0.00 175.52 177.15 3kp1 h HIS 316 N 1.19 1.05 -0.60 3.16 3.86 -0.81 0.59 115.15 123.59 3kp1 h HIS 316 Ca 0.29 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.45 3kp1 h HIS 316 Cb 0.12 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 3kp1 h HIS 316 CO 0.01 0.69 0.17 0.28 0.86 0.00 0.00 177.93 179.95 3kp1 h VAL 317 N 1.11 1.23 -0.59 2.45 2.07 -0.80 0.35 116.25 122.08 3kp1 h VAL 317 Ca 0.29 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 3kp1 h VAL 317 Cb -0.07 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3kp1 h VAL 317 CO -0.06 0.31 0.08 -0.07 0.02 0.00 0.00 177.57 177.85 3kp1 h LEU 318 N 0.88 0.91 -0.59 2.57 3.38 -0.89 -1.03 115.31 120.55 3kp1 h LEU 318 Ca 0.20 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kp1 h LEU 318 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3kp1 h LEU 318 CO -0.01 0.92 0.34 0.78 0.09 0.00 0.00 178.44 180.57 3kp1 h ASN 319 N 0.90 0.54 0.04 -0.43 -0.26 -0.13 -2.08 115.58 114.16 3kp1 h ASN 319 Ca 0.18 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 3kp1 h ASN 319 Cb 0.41 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 3kp1 h ASN 319 CO 0.01 0.37 -0.16 -0.07 -1.06 0.00 0.00 177.43 176.52 3kp1 h LEU 320 N 0.66 0.24 -0.51 1.61 3.38 -0.41 -2.43 115.31 117.87 3kp1 h LEU 320 Ca 0.25 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3kp1 h LEU 320 Cb 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kp1 h LEU 320 CO -0.13 0.43 -0.08 0.25 0.09 0.00 0.00 178.44 179.01 3kp1 h LEU 321 N 0.24 0.95 -0.40 1.67 5.85 -0.70 -1.26 115.31 121.66 3kp1 h LEU 321 Ca 0.05 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3kp1 h LEU 321 Cb 0.44 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3kp1 h LEU 321 CO 0.03 1.07 0.16 0.40 -0.34 0.00 0.00 178.44 179.76 3kp1 h ILE 322 N 0.81 0.91 -0.52 4.05 1.08 -0.97 -0.54 117.51 122.33 3kp1 h ILE 322 Ca 0.13 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 3kp1 h ILE 322 Cb 0.63 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 3kp1 h ILE 322 CO 0.04 0.06 0.30 0.28 -0.69 0.00 0.00 178.15 178.15 3kp1 h SER 323 N 0.34 0.48 -0.47 1.72 0.02 -1.19 -2.26 113.55 112.18 3kp1 h SER 323 Ca 0.18 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3kp1 h SER 323 Cb 0.14 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3kp1 h SER 323 CO -0.17 0.34 0.06 0.50 -1.14 0.00 0.00 176.83 176.42 3kp1 h LYS 324 N 0.60 0.86 0.00 3.45 1.63 -0.75 -1.23 116.57 121.13 3kp1 h LYS 324 Ca 0.21 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3kp1 h LYS 324 Cb 0.04 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3kp1 h LYS 324 CO -0.11 0.82 0.00 1.28 -3.45 0.00 0.00 179.45 177.99 3kp1 n LEU 325 N -4.23 0.78 0.00 5.20 4.77 -0.25 -4.70 117.00 118.57 3kp1 n LEU 325 Ca 0.03 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3kp1 n LEU 325 Cb 0.27 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3kp1 n LEU 325 CO 0.41 -0.33 0.00 0.35 -1.33 0.00 0.00 177.39 176.49 3kp1 n THR 326 N -2.28 0.00 -3.64 -5.08 -2.24 -0.80 -4.92 114.28 95.32 3kp1 n THR 326 Ca 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 3kp1 n THR 326 Cb 0.36 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 3kp1 n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kp1 s ARG 327 N 0.86 0.49 -0.06 -0.78 3.52 -0.53 -5.03 118.95 117.42 3kp1 s ARG 327 Ca 0.00 0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 56.25 3kp1 s ARG 327 Cb 0.00 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.62 3kp1 s ARG 327 CO 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 175.30 174.42 3kp1 s ALA 328 N 0.60 0.60 0.00 6.12 0.00 -1.26 -4.82 121.76 123.01 3kp1 s ALA 328 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 3kp1 s ALA 328 Cb -0.05 -0.61 -0.29 0.00 0.00 0.00 0.00 23.12 22.17 3kp1 s ALA 328 CO -0.09 -0.32 0.85 -0.44 0.00 0.00 0.00 175.76 175.76 3kp1 h ASP 329 N 7.97 0.46 -3.64 0.00 3.32 -1.19 -3.41 116.42 119.93 3kp1 h ASP 329 Ca -0.26 -0.62 -0.65 0.00 0.02 0.00 0.00 57.03 55.51 3kp1 h ASP 329 Cb 1.13 -0.15 -0.32 0.00 0.22 0.00 0.00 39.33 40.21 3kp1 h ASP 329 CO 0.32 1.52 -0.87 -0.63 -1.72 0.00 0.00 179.24 177.86 3kp1 s ILE 330 N -2.61 1.90 -0.36 0.35 1.01 -0.84 -2.05 121.20 118.60 3kp1 s ILE 330 Ca -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 3kp1 s ILE 330 Cb 0.06 -1.63 0.09 0.00 0.01 0.00 0.00 42.46 40.99 3kp1 s ILE 330 CO 0.86 0.53 0.11 -1.58 0.00 0.00 0.00 174.94 174.86 3kp1 s GLN 331 N 0.16 2.02 0.58 2.79 2.00 0.10 -1.01 119.66 126.30 3kp1 s GLN 331 Ca -0.12 -1.68 -0.14 0.00 -2.00 0.00 0.00 55.36 51.43 3kp1 s GLN 331 Cb -0.16 -3.39 -0.05 0.00 0.80 0.00 0.00 33.01 30.21 3kp1 s GLN 331 CO 0.06 -0.92 1.02 -1.12 -0.50 0.00 0.00 175.29 173.83 3kp1 s SER 332 N 1.48 6.23 0.24 6.67 0.01 0.54 -1.86 113.70 127.01 3kp1 s SER 332 Ca 0.05 1.55 0.10 0.00 1.31 0.00 0.00 55.95 58.96 3kp1 s SER 332 Cb -0.21 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 3kp1 s SER 332 CO -0.04 -0.86 -0.18 0.42 0.41 0.00 0.00 173.24 172.99 3kp1 s THR 333 N -2.85 2.11 -0.07 1.44 -4.23 -1.06 -4.05 115.64 106.93 3kp1 s THR 333 Ca 0.58 -2.29 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 3kp1 s THR 333 Cb -0.12 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.57 3kp1 s THR 333 CO 0.43 -0.48 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.20 3kp1 s ILE 334 N -2.67 1.75 0.34 2.99 -1.09 -1.26 -4.56 121.20 116.69 3kp1 s ILE 334 Ca 0.26 -0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 57.54 3kp1 s ILE 334 Cb -0.03 -1.51 -0.10 0.00 -1.58 0.00 0.00 42.46 39.23 3kp1 s ILE 334 CO 0.11 0.49 1.29 0.42 -1.23 0.00 0.00 174.94 176.02 3kp1 s THR 335 N 0.27 2.75 -1.19 2.92 -4.23 -1.26 -4.79 115.64 110.11 3kp1 s THR 335 Ca -0.13 0.75 0.18 0.00 -1.18 0.00 0.00 61.69 61.31 3kp1 s THR 335 Cb -0.16 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.44 3kp1 s THR 335 CO 0.06 0.17 1.58 -0.81 -0.54 0.00 0.00 174.62 175.07 3kp1 n PRO 336 N 0.73 0.12 -0.24 3.99 -0.04 -1.26 -1.74 135.00 136.56 3kp1 n PRO 336 Ca 0.00 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.72 3kp1 n PRO 336 Cb 0.42 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.64 3kp1 n PRO 336 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kp1 n ASP 337 N -1.41 2.89 0.27 3.54 5.75 -1.26 -4.13 116.55 122.20 3kp1 n ASP 337 Ca 0.06 -1.96 0.12 0.00 -0.01 0.00 0.00 54.79 53.01 3kp1 n ASP 337 Cb 0.18 -0.31 0.74 0.00 -1.03 0.00 0.00 41.12 40.71 3kp1 n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kp1 h GLU 338 N 3.36 0.00 -0.52 0.11 4.22 -1.54 -0.62 114.58 119.58 3kp1 h GLU 338 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3kp1 h GLU 338 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3kp1 h GLU 338 CO 0.00 0.09 0.00 0.41 -2.18 0.00 0.00 179.01 177.33 3kp1 n GLY 339 N -1.00 1.44 0.00 1.92 0.00 -1.26 -4.38 105.19 101.91 3kp1 n GLY 339 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3kp1 n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kp1 n ARG 340 N 1.03 1.00 -3.62 1.61 0.63 -0.32 -4.21 116.66 112.77 3kp1 n ARG 340 Ca 0.17 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.04 3kp1 n ARG 340 Cb 0.44 -0.84 -0.02 0.00 0.45 0.00 0.00 32.46 32.50 3kp1 n ARG 340 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kp1 s ASN 341 N -3.18 -0.28 0.26 6.15 4.22 -0.71 -4.93 114.94 116.47 3kp1 s ASN 341 Ca 0.00 -0.20 -0.31 0.00 -2.14 0.00 0.00 52.86 50.21 3kp1 s ASN 341 Cb 0.00 0.45 -0.12 0.00 1.28 0.00 0.00 41.25 42.85 3kp1 s ASN 341 CO 0.00 -0.78 1.54 0.52 -2.04 0.00 0.00 177.10 176.35 3kp1 n VAL 342 N -0.36 0.84 -1.69 3.54 0.31 -1.26 -4.39 118.33 115.32 3kp1 n VAL 342 Ca -0.08 -0.21 -0.44 0.00 -0.01 0.00 0.00 64.34 63.60 3kp1 n VAL 342 Cb 0.61 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 3kp1 n VAL 342 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kp1 n PRO 343 N 2.35 2.19 -3.71 5.55 -0.02 -1.26 -5.00 135.00 135.10 3kp1 n PRO 343 Ca 0.11 0.78 -0.25 0.00 -2.02 0.00 0.00 63.50 62.11 3kp1 n PRO 343 Cb 0.34 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3kp1 n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kp1 s TRP 344 N -0.25 3.48 0.22 6.00 0.51 -1.26 -4.85 118.94 122.79 3kp1 s TRP 344 Ca 0.65 0.25 -0.14 0.00 -2.12 0.00 0.00 56.10 54.73 3kp1 s TRP 344 Cb -0.60 -1.79 0.26 0.00 -0.81 0.00 0.00 33.47 30.53 3kp1 s TRP 344 CO 0.52 0.36 1.59 0.45 -0.51 0.00 0.00 176.95 179.36 3kp1 h HIS 345 N 1.61 -0.62 0.00 -1.98 3.86 -1.45 -1.46 115.15 115.11 3kp1 h HIS 345 Ca -0.49 0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 58.75 3kp1 h HIS 345 Cb 1.20 0.39 -0.01 0.00 1.06 0.00 0.00 27.41 30.05 3kp1 h HIS 345 CO 0.52 -0.35 -0.20 -0.84 0.86 0.00 0.00 177.93 177.92 3kp1 h ILE 346 N -0.05 0.69 0.00 2.45 3.07 -1.95 -2.53 117.51 119.19 3kp1 h ILE 346 Ca 0.33 -0.84 -0.16 0.00 1.55 0.00 0.00 64.86 65.74 3kp1 h ILE 346 Cb 0.57 1.53 -0.03 0.00 -0.27 0.00 0.00 36.82 38.62 3kp1 h ILE 346 CO -0.79 0.19 -1.13 1.88 -1.05 0.00 0.00 178.15 177.26 3kp1 h TYR 347 N 0.00 0.00 -0.70 0.16 0.05 -1.68 -0.87 116.97 113.93 3kp1 h TYR 347 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3kp1 h TYR 347 Cb 0.51 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 3kp1 h TYR 347 CO 0.00 0.61 0.45 -0.91 -1.05 0.00 0.00 178.16 177.26 3kp1 h ASN 348 N 0.00 0.74 -0.40 3.88 4.21 -1.08 -2.11 115.58 120.83 3kp1 h ASN 348 Ca -0.11 -0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.26 3kp1 h ASN 348 Cb 1.56 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.58 3kp1 h ASN 348 CO 0.06 0.52 -0.28 0.40 -1.29 0.00 0.00 177.43 176.84 3kp1 h ILE 349 N 0.88 1.27 -0.27 2.81 5.03 -1.36 -2.16 117.51 123.72 3kp1 h ILE 349 Ca 0.28 -1.45 0.06 0.00 -0.12 0.00 0.00 64.86 63.63 3kp1 h ILE 349 Cb -0.01 1.24 -0.06 0.00 -3.03 0.00 0.00 36.82 34.96 3kp1 h ILE 349 CO -0.10 0.49 -0.11 -0.33 -0.68 0.00 0.00 178.15 177.43 3kp1 h GLU 350 N 0.78 -0.06 -0.86 2.37 5.08 -1.07 -0.40 114.58 120.43 3kp1 h GLU 350 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3kp1 h GLU 350 Cb 0.86 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3kp1 h GLU 350 CO 0.08 -0.04 0.50 0.00 -1.00 0.00 0.00 179.01 178.55 3kp1 h ALA 351 N 1.18 1.10 -0.63 3.43 0.00 -1.23 0.26 119.26 123.37 3kp1 h ALA 351 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kp1 h ALA 351 Cb 0.27 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kp1 h ALA 351 CO -0.31 0.57 0.23 0.00 0.00 0.00 0.00 179.25 179.74 3kp1 h ASP 353 N 0.90 0.70 -0.37 0.00 3.32 -0.41 -2.68 116.42 117.88 3kp1 h ASP 353 Ca 0.21 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kp1 h ASP 353 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3kp1 h ASP 353 CO -0.01 0.75 0.24 0.74 -1.72 0.00 0.00 179.24 179.24 3kp1 h THR 354 N 0.61 1.11 -0.22 0.35 2.02 -0.38 0.12 112.91 116.52 3kp1 h THR 354 Ca 0.14 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3kp1 h THR 354 Cb 0.33 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3kp1 h THR 354 CO 0.00 0.11 0.02 0.00 0.37 0.00 0.00 175.52 176.02 3kp1 h ALA 355 N 1.12 0.29 -0.09 6.16 0.00 -1.40 -0.68 119.26 124.66 3kp1 h ALA 355 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kp1 h ALA 355 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kp1 h ALA 355 CO -0.03 -0.01 0.02 -0.22 0.00 0.00 0.00 179.25 179.01 3kp1 h LYS 356 N 0.15 0.05 -0.33 0.00 3.64 -1.43 -1.97 116.57 116.69 3kp1 h LYS 356 Ca 0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3kp1 h LYS 356 Cb 0.36 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3kp1 h LYS 356 CO 0.01 0.04 0.19 0.37 -2.27 0.00 0.00 179.45 177.78 3kp1 h GLN 357 N 0.05 0.45 -0.34 1.90 4.15 -0.57 -1.05 115.11 119.71 3kp1 h GLN 357 Ca 0.04 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 3kp1 h GLN 357 Cb 0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3kp1 h GLN 357 CO -0.06 0.36 -0.20 0.00 -1.93 0.00 0.00 178.83 177.00 3kp1 h ALA 358 N 1.07 0.48 -0.36 3.38 0.00 -1.14 -0.82 119.26 121.87 3kp1 h ALA 358 Ca 0.12 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 3kp1 h ALA 358 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kp1 h ALA 358 CO -0.02 0.43 -0.37 -0.07 0.00 0.00 0.00 179.25 179.22 3kp1 h LEU 359 N 0.51 0.94 -0.59 0.00 3.38 -1.28 -1.27 115.31 117.00 3kp1 h LEU 359 Ca 0.07 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 3kp1 h LEU 359 Cb 0.75 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3kp1 h LEU 359 CO 0.06 1.22 0.02 0.40 0.09 0.00 0.00 178.44 180.23 3kp1 h ILE 360 N 0.68 1.26 -0.88 1.22 1.08 -1.23 -2.50 117.51 117.14 3kp1 h ILE 360 Ca 0.05 -1.12 0.16 0.00 -0.39 0.00 0.00 64.86 63.57 3kp1 h ILE 360 Cb 0.96 0.81 -0.07 0.00 -3.07 0.00 0.00 36.82 35.45 3kp1 h ILE 360 CO 0.09 0.41 0.57 1.23 -0.69 0.00 0.00 178.15 179.76 3kp1 h GLY 361 N 0.93 1.10 -1.97 5.37 0.00 -0.90 -1.22 103.07 106.39 3kp1 h GLY 361 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kp1 h GLY 361 CO 0.03 0.06 0.00 1.03 0.00 0.00 0.00 176.54 177.66 3kp1 n MET 362 N -4.55 2.53 -1.66 4.80 2.81 -0.50 -4.97 117.12 115.58 3kp1 n MET 362 Ca 0.18 -1.68 -0.50 0.00 -1.81 0.00 0.00 57.70 53.89 3kp1 n MET 362 Cb 0.52 -1.59 -0.05 0.00 -0.71 0.00 0.00 33.22 31.39 3kp1 n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kp1 n ASP 363 N 0.61 2.83 -0.17 7.83 2.03 -0.46 -0.81 116.55 128.41 3kp1 n ASP 363 Ca 0.15 1.05 -0.02 0.00 0.52 0.00 0.00 54.79 56.49 3kp1 n ASP 363 Cb 0.55 -1.32 -0.01 0.00 -0.72 0.00 0.00 41.12 39.62 3kp1 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kp1 n GLY 364 N 3.69 0.51 0.36 0.27 0.00 -1.26 -4.89 105.19 103.87 3kp1 n GLY 364 Ca 0.20 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3kp1 n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kp1 h LEU 365 N 0.00 0.81 0.00 0.99 5.85 -1.35 -0.96 115.31 120.65 3kp1 h LEU 365 Ca -0.05 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kp1 h LEU 365 Cb 0.39 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3kp1 h LEU 365 CO 0.07 0.49 0.00 0.23 -0.34 0.00 0.00 178.44 178.89 3kp1 n MET 366 N -4.52 0.93 0.08 1.25 2.81 -1.26 -1.44 117.12 114.97 3kp1 n MET 366 Ca 0.15 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.17 3kp1 n MET 366 Cb 0.28 -1.46 0.39 0.00 -0.71 0.00 0.00 33.22 31.73 3kp1 n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kp1 n ASP 367 N -0.96 0.66 0.00 7.83 8.00 -0.36 -4.27 116.55 127.45 3kp1 n ASP 367 Ca 0.20 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.16 3kp1 n ASP 367 Cb 0.09 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3kp1 n ASP 367 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kp1 n MET 368 N -2.10 5.80 -4.05 -1.24 2.81 -0.52 -5.04 117.12 112.78 3kp1 n MET 368 Ca 0.05 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.82 3kp1 n MET 368 Cb 0.42 -0.48 -0.12 0.00 -0.71 0.00 0.00 33.22 32.33 3kp1 n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kp1 s VAL 369 N -0.94 0.41 0.07 2.03 1.01 -0.81 -5.14 120.40 117.02 3kp1 s VAL 369 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 3kp1 s VAL 369 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.92 3kp1 s VAL 369 CO 0.00 -0.33 0.29 0.00 0.00 0.00 0.00 175.10 175.06 3kp1 s GLN 370 N -1.31 0.87 0.37 2.72 -2.07 -1.26 -4.51 119.66 114.47 3kp1 s GLN 370 Ca -0.09 -0.67 -0.26 0.00 -1.82 0.00 0.00 55.36 52.52 3kp1 s GLN 370 Cb -0.09 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.12 3kp1 s GLN 370 CO 0.00 -0.29 1.13 -0.51 -1.32 0.00 0.00 175.29 174.30 3kp1 s LEU 371 N -2.42 4.27 -1.27 2.60 1.43 -1.26 -4.95 118.68 117.07 3kp1 s LEU 371 Ca -0.01 2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 55.21 3kp1 s LEU 371 Cb 0.01 -3.96 0.12 0.00 0.03 0.00 0.00 46.19 42.39 3kp1 s LEU 371 CO -0.07 -0.51 1.66 0.29 0.23 0.00 0.00 176.35 177.95 3kp1 n LYS 372 N 0.32 3.28 0.30 1.70 5.02 -1.26 -4.82 118.16 122.69 3kp1 n LYS 372 Ca 0.03 -3.49 0.19 0.00 -2.02 0.00 0.00 58.31 53.02 3kp1 n LYS 372 Cb 0.47 -3.24 0.90 0.00 -0.02 0.00 0.00 35.03 33.13 3kp1 n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kp1 h ARG 373 N 7.11 0.00 -5.17 1.97 9.65 -1.98 -3.38 114.38 122.58 3kp1 h ARG 373 Ca 0.40 0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 58.66 3kp1 h ARG 373 Cb 0.83 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 29.24 3kp1 h ARG 373 CO 1.42 0.01 -0.56 -1.21 2.80 0.00 0.00 179.97 182.43 3kp1 s GLU 374 N -3.89 3.93 0.00 0.20 0.41 -1.26 -2.99 118.70 115.10 3kp1 s GLU 374 Ca -0.02 -0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 3kp1 s GLU 374 Cb 0.11 -3.31 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 3kp1 s GLU 374 CO 0.50 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 3kp1 n GLY 375 N 3.99 0.76 0.37 -1.39 0.00 -1.26 -4.80 105.19 102.86 3kp1 n GLY 375 Ca -0.16 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 43.92 3kp1 n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kp1 h VAL 376 N 0.00 1.15 0.10 1.61 3.04 -1.93 -0.28 116.25 119.94 3kp1 h VAL 376 Ca 0.00 -0.41 0.02 0.00 -1.01 0.00 0.00 66.70 65.30 3kp1 h VAL 376 Cb 0.00 -0.16 -0.05 0.00 -2.01 0.00 0.00 31.29 29.07 3kp1 h VAL 376 CO 0.00 0.22 -0.43 0.25 -1.01 0.00 0.00 177.57 176.60 3kp1 h LEU 377 N 1.20 -1.26 -0.67 3.16 5.85 -1.89 -1.49 115.31 120.21 3kp1 h LEU 377 Ca 0.40 0.14 0.09 0.00 0.84 0.00 0.00 57.88 59.35 3kp1 h LEU 377 Cb 0.05 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3kp1 h LEU 377 CO -0.13 -0.49 0.32 1.23 -0.34 0.00 0.00 178.44 179.02 3kp1 h GLY 378 N -0.65 0.99 0.95 3.75 0.00 -1.20 -0.46 103.07 106.45 3kp1 h GLY 378 Ca 0.02 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.18 3kp1 h GLY 378 CO -0.26 0.04 0.44 -0.55 0.00 0.00 0.00 176.54 176.22 3kp1 h ASP 379 N 0.55 0.75 0.08 0.19 3.32 -0.71 -1.72 116.42 118.88 3kp1 h ASP 379 Ca 0.33 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.19 3kp1 h ASP 379 Cb 0.35 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kp1 h ASP 379 CO -0.27 0.53 -0.67 0.74 -1.72 0.00 0.00 179.24 177.86 3kp1 h THR 380 N 0.89 1.34 -0.46 0.35 2.02 -0.75 -2.39 112.91 113.90 3kp1 h THR 380 Ca 0.26 -1.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 3kp1 h THR 380 Cb -0.06 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3kp1 h THR 380 CO -0.07 0.61 0.28 0.58 0.37 0.00 0.00 175.52 177.28 3kp1 h VAL 381 N 0.39 1.14 -0.64 3.16 2.07 -0.80 -0.91 116.25 120.67 3kp1 h VAL 381 Ca -0.02 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3kp1 h VAL 381 Cb 1.24 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3kp1 h VAL 381 CO 0.12 0.14 0.27 -0.09 0.02 0.00 0.00 177.57 178.04 3kp1 h ARG 382 N 0.61 0.94 -0.78 1.57 9.65 -1.26 -2.41 114.38 122.70 3kp1 h ARG 382 Ca 0.17 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3kp1 h ARG 382 Cb -0.01 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.37 3kp1 h ARG 382 CO -0.03 0.78 0.43 1.49 2.80 0.00 0.00 179.97 185.44 3kp1 h GLU 383 N 0.89 1.09 -0.56 0.20 4.81 -1.10 -1.76 114.58 118.15 3kp1 h GLU 383 Ca 0.21 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3kp1 h GLU 383 Cb 0.17 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3kp1 h GLU 383 CO -0.02 0.80 0.19 -0.07 -0.73 0.00 0.00 179.01 179.18 3kp1 h LEU 384 N 1.08 0.79 -1.14 1.64 3.38 -0.97 -1.00 115.31 119.10 3kp1 h LEU 384 Ca 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kp1 h LEU 384 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kp1 h LEU 384 CO -0.04 0.77 0.38 0.11 0.09 0.00 0.00 178.44 179.75 3kp1 h LYS 385 N 0.77 0.98 -0.16 1.13 1.57 -1.21 -2.40 116.57 117.25 3kp1 h LYS 385 Ca 0.18 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3kp1 h LYS 385 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3kp1 h LYS 385 CO -0.01 0.72 -0.01 0.93 -0.57 0.00 0.00 179.45 180.52 3kp1 h GLU 386 N 0.99 0.28 -0.63 3.15 5.08 -0.81 -1.30 114.58 121.35 3kp1 h GLU 386 Ca 0.25 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3kp1 h GLU 386 Cb 0.03 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3kp1 h GLU 386 CO -0.04 0.52 0.41 0.00 -1.00 0.00 0.00 179.01 178.90 3kp1 h ARG 387 N 0.02 0.75 -0.20 2.33 3.08 -1.04 0.01 114.38 119.32 3kp1 h ARG 387 Ca 0.04 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3kp1 h ARG 387 Cb 0.39 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3kp1 h ARG 387 CO 0.01 0.50 -0.08 0.00 -1.07 0.00 0.00 179.97 179.32 3kp1 h ALA 388 N 1.63 0.28 -0.78 0.04 0.00 -1.15 -1.34 119.26 117.94 3kp1 h ALA 388 Ca 0.25 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kp1 h ALA 388 Cb 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3kp1 h ALA 388 CO -0.06 0.10 0.49 0.28 0.00 0.00 0.00 179.25 180.06 3kp1 h VAL 389 N 0.12 1.10 -0.75 0.00 2.07 -0.78 -1.81 116.25 116.20 3kp1 h VAL 389 Ca 0.05 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3kp1 h VAL 389 Cb 0.56 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3kp1 h VAL 389 CO 0.03 0.17 0.48 -0.07 0.02 0.00 0.00 177.57 178.20 3kp1 h LEU 390 N 0.95 0.81 -0.56 2.57 3.38 -0.86 0.19 115.31 121.79 3kp1 h LEU 390 Ca 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kp1 h LEU 390 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3kp1 h LEU 390 CO -0.12 0.57 0.37 0.15 0.09 0.00 0.00 178.44 179.49 3kp1 h PHE 391 N 0.96 0.71 -0.57 1.13 -0.00 -0.73 -1.36 116.94 117.09 3kp1 h PHE 391 Ca 0.29 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 58.26 3kp1 h PHE 391 Cb -0.03 -0.24 -0.03 0.00 -0.00 0.00 0.00 35.95 35.66 3kp1 h PHE 391 CO -0.03 0.46 0.29 0.52 -0.00 0.00 0.00 178.31 179.55 3kp1 h MET 392 N 0.76 0.81 -0.84 1.11 2.86 -0.91 -2.44 114.93 116.28 3kp1 h MET 392 Ca 0.20 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3kp1 h MET 392 Cb -0.07 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.37 3kp1 h MET 392 CO -0.04 0.65 0.50 0.93 1.06 0.00 0.00 176.91 180.00 3kp1 h GLU 393 N 0.78 0.85 -0.08 1.72 5.08 -0.29 -2.08 114.58 120.55 3kp1 h GLU 393 Ca 0.20 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3kp1 h GLU 393 Cb 0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3kp1 h GLU 393 CO -0.03 0.56 -0.55 1.49 -1.00 0.00 0.00 179.01 179.49 3kp1 h GLU 394 N 0.87 0.24 -0.58 2.33 4.81 -1.01 -1.46 114.58 119.78 3kp1 h GLU 394 Ca 0.39 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3kp1 h GLU 394 Cb 0.28 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3kp1 h GLU 394 CO -0.21 0.72 0.26 0.82 -0.73 0.00 0.00 179.01 179.87 3kp1 h ILE 395 N 0.18 1.22 -0.53 2.32 2.04 -0.91 0.52 117.51 122.35 3kp1 h ILE 395 Ca 0.00 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 3kp1 h ILE 395 Cb 1.02 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3kp1 h ILE 395 CO 0.08 0.25 0.00 0.40 0.00 0.00 0.00 178.15 178.89 3kp1 h ILE 396 N 0.79 1.26 -0.05 -0.67 2.04 -1.36 0.13 117.51 119.65 3kp1 h ILE 396 Ca 0.20 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 3kp1 h ILE 396 Cb 0.15 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3kp1 h ILE 396 CO -0.02 0.39 -0.04 -0.08 0.00 0.00 0.00 178.15 178.39 3kp1 h GLU 397 N 0.80 0.07 -0.00 2.37 4.81 -0.80 0.41 114.58 122.25 3kp1 h GLU 397 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3kp1 h GLU 397 Cb 0.53 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3kp1 h GLU 397 CO 0.03 0.13 -0.09 0.00 -0.73 0.00 0.00 179.01 178.34 3kp1 n ALA 398 N -2.52 2.69 -0.08 2.92 0.00 0.13 -4.91 120.51 118.75 3kp1 n ALA 398 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3kp1 n ALA 398 Cb 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3kp1 n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp1 n GLY 399 N 1.33 1.31 0.00 0.00 0.00 0.14 -4.69 105.19 103.27 3kp1 n GLY 399 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kp1 n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp1 n GLY 400 N -1.67 0.91 0.11 -0.02 0.00 0.42 -4.62 105.19 100.33 3kp1 n GLY 400 Ca 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 3kp1 n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kp1 h TYR 401 N 0.00 -0.16 -0.61 1.61 3.20 -1.96 -1.79 116.97 117.25 3kp1 h TYR 401 Ca 0.00 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3kp1 h TYR 401 Cb 0.00 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3kp1 h TYR 401 CO 0.00 -0.11 0.39 0.74 -1.64 0.00 0.00 178.16 177.54 3kp1 h PHE 402 N -0.08 0.73 -0.56 -3.82 0.04 -1.95 -1.36 116.94 109.94 3kp1 h PHE 402 Ca 0.05 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3kp1 h PHE 402 Cb 0.16 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3kp1 h PHE 402 CO -0.17 0.44 0.26 -0.91 -0.60 0.00 0.00 178.31 177.32 3kp1 h ASN 403 N 0.78 0.74 -0.84 2.17 4.21 -1.78 -1.45 115.58 119.42 3kp1 h ASN 403 Ca 0.24 -0.14 0.02 0.00 1.21 0.00 0.00 56.30 57.62 3kp1 h ASN 403 Cb -0.03 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 36.93 3kp1 h ASN 403 CO -0.08 0.68 0.55 0.00 -1.29 0.00 0.00 177.43 177.29 3kp1 h ALA 404 N 1.09 1.44 -0.17 -0.83 0.00 -0.63 -0.93 119.26 119.24 3kp1 h ALA 404 Ca 0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3kp1 h ALA 404 Cb 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kp1 h ALA 404 CO -0.02 0.50 -0.32 0.28 0.00 0.00 0.00 179.25 179.68 3kp1 h VAL 405 N 1.09 1.35 -0.00 0.00 2.07 -0.99 -2.19 116.25 117.57 3kp1 h VAL 405 Ca 0.32 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3kp1 h VAL 405 Cb -0.06 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3kp1 h VAL 405 CO -0.08 0.48 0.00 -0.33 0.02 0.00 0.00 177.57 177.66 3kp1 h GLU 406 N 0.16 0.00 -0.21 1.57 5.08 -0.91 -1.81 114.58 118.46 3kp1 h GLU 406 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kp1 h GLU 406 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3kp1 h GLU 406 CO 0.07 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.12 3kp1 n GLN 407 N -4.31 1.67 -2.44 2.33 6.02 -0.38 -4.62 117.38 115.65 3kp1 n GLN 407 Ca -0.03 -1.02 -0.11 0.00 -0.01 0.00 0.00 57.00 55.83 3kp1 n GLN 407 Cb 0.09 -1.33 0.01 0.00 1.02 0.00 0.00 30.24 30.03 3kp1 n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kp1 n GLY 408 N 1.05 -0.02 0.21 1.08 0.00 -0.69 -4.92 105.19 101.89 3kp1 n GLY 408 Ca 0.14 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.84 3kp1 n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kp1 h PHE 409 N -0.37 0.00 -2.63 1.61 -1.00 -1.61 -3.37 116.94 109.56 3kp1 h PHE 409 Ca -0.27 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.95 3kp1 h PHE 409 Cb 1.20 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.73 3kp1 h PHE 409 CO 0.29 0.29 -0.47 -0.06 -1.61 0.00 0.00 178.31 176.75 3kp1 s PHE 410 N -4.27 3.49 -1.52 -0.55 0.08 -1.26 -4.33 117.98 109.62 3kp1 s PHE 410 Ca -0.03 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.17 3kp1 s PHE 410 Cb 0.14 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3kp1 s PHE 410 CO 0.70 0.53 0.00 0.28 -0.10 0.00 0.00 175.22 176.63 3kp1 n VAL 411 N -0.37 -0.22 -3.10 -0.44 0.31 -1.26 -1.55 118.33 111.69 3kp1 n VAL 411 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.89 3kp1 n VAL 411 Cb 0.53 -1.81 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 3kp1 n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kp1 s ASP 412 N -2.68 7.14 0.00 4.52 2.15 -1.26 -4.03 116.67 122.51 3kp1 s ASP 412 Ca 0.00 1.44 0.29 0.00 0.43 0.00 0.00 52.55 54.71 3kp1 s ASP 412 Cb 0.00 -2.43 1.42 0.00 -0.30 0.00 0.00 42.92 41.61 3kp1 s ASP 412 CO 0.00 0.12 1.99 -1.54 -0.17 0.00 0.00 175.17 175.57 3kp1 n SER 413 N 1.12 0.00 -4.74 -0.34 3.41 -1.26 -4.86 113.62 106.95 3kp1 n SER 413 Ca -0.05 -0.02 -0.32 0.00 -0.26 0.00 0.00 58.87 58.23 3kp1 n SER 413 Cb 0.50 -0.32 0.10 0.00 -0.26 0.00 0.00 64.21 64.23 3kp1 n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kp1 s GLY 414 N -2.65 1.81 -0.71 5.00 0.00 -1.26 -4.75 107.32 104.77 3kp1 s GLY 414 Ca 0.25 0.45 -0.20 0.00 0.00 0.00 0.00 44.72 45.22 3kp1 s GLY 414 CO 0.46 0.82 0.93 -0.47 0.00 0.00 0.00 173.10 174.83 3kp1 s TYR 415 N -2.67 2.89 0.22 1.90 5.04 -1.25 -4.68 117.35 118.80 3kp1 s TYR 415 Ca 0.65 -0.89 -0.31 0.00 -2.44 0.00 0.00 57.07 54.07 3kp1 s TYR 415 Cb -0.20 -4.21 -0.15 0.00 0.35 0.00 0.00 41.96 37.75 3kp1 s TYR 415 CO 0.53 -1.50 1.16 0.98 -1.34 0.00 0.00 175.55 175.38 3kp1 n TYR 416 N 6.98 1.44 1.47 4.97 9.36 -1.26 -1.05 117.16 139.07 3kp1 n TYR 416 Ca 0.02 0.64 0.14 0.00 3.32 0.00 0.00 57.90 62.02 3kp1 n TYR 416 Cb 0.45 -2.30 0.75 0.00 -0.63 0.00 0.00 39.34 37.62 3kp1 n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kp1 n PRO 417 N 1.50 0.54 -1.71 2.98 -0.04 -1.26 -4.91 135.00 132.10 3kp1 n PRO 417 Ca 0.13 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 3kp1 n PRO 417 Cb 0.28 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 3kp1 n PRO 417 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kp1 n GLU 418 N -1.21 2.37 -3.80 0.54 2.13 -0.21 -4.99 120.64 115.47 3kp1 n GLU 418 Ca 0.16 0.84 -0.27 0.00 0.66 0.00 0.00 57.16 58.54 3kp1 n GLU 418 Cb 0.19 -2.54 -0.17 0.00 0.27 0.00 0.00 31.44 29.20 3kp1 n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kp1 s ARG 419 N -0.86 0.92 0.17 5.31 3.52 -1.26 -3.87 118.95 122.88 3kp1 s ARG 419 Ca 0.63 -0.39 0.26 0.00 -0.13 0.00 0.00 55.73 56.10 3kp1 s ARG 419 Cb -0.56 -1.92 0.90 0.00 -1.56 0.00 0.00 34.95 31.81 3kp1 s ARG 419 CO 0.53 -0.52 1.80 0.09 -0.81 0.00 0.00 175.30 176.39 3kp1 n ASN 420 N 4.99 0.65 -0.15 -2.12 3.02 -1.26 -4.94 115.26 115.46 3kp1 n ASN 420 Ca -0.10 0.56 -0.02 0.00 -0.03 0.00 0.00 54.58 55.00 3kp1 n ASN 420 Cb 0.48 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 3kp1 n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kp1 n GLY 421 N 1.28 0.44 0.71 7.41 0.00 -1.26 -4.94 105.19 108.82 3kp1 n GLY 421 Ca 0.06 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.17 3kp1 n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kp1 n ASP 422 N 1.72 2.47 -4.35 1.61 5.68 -1.26 -5.05 116.55 117.37 3kp1 n ASP 422 Ca -0.02 -3.53 -0.30 0.00 -0.50 0.00 0.00 54.79 50.45 3kp1 n ASP 422 Cb 0.20 -0.54 0.16 0.00 -1.14 0.00 0.00 41.12 39.80 3kp1 n ASP 422 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kp1 s GLY 423 N -2.71 1.72 -0.35 6.12 0.00 -1.26 -4.66 107.32 106.18 3kp1 s GLY 423 Ca 0.39 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 43.90 3kp1 s GLY 423 CO 0.00 -0.34 0.49 -0.42 0.00 0.00 0.00 173.10 172.83 3kp1 s ILE 424 N -3.78 5.04 -0.28 0.90 -1.09 -0.60 -4.90 121.20 116.48 3kp1 s ILE 424 Ca 0.71 0.26 -0.12 0.00 -2.23 0.00 0.00 60.65 59.27 3kp1 s ILE 424 Cb -0.06 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 3kp1 s ILE 424 CO 0.52 -0.22 0.21 0.00 -1.23 0.00 0.00 174.94 174.23 3kp1 s ALA 425 N 2.34 3.53 -0.03 9.38 0.00 -1.26 -4.49 121.76 131.23 3kp1 s ALA 425 Ca 0.17 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 3kp1 s ALA 425 Cb -0.16 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 3kp1 s ALA 425 CO 0.13 -0.57 0.07 1.03 0.00 0.00 0.00 175.76 176.42 3kp1 s ARG 426 N 1.80 3.07 -0.04 0.00 1.81 -1.18 -4.97 118.95 119.44 3kp1 s ARG 426 Ca 0.08 -0.45 -0.19 0.00 -1.72 0.00 0.00 55.73 53.45 3kp1 s ARG 426 Cb -0.16 -2.87 -0.05 0.00 -0.45 0.00 0.00 34.95 31.42 3kp1 s ARG 426 CO 0.11 0.67 0.53 -0.65 -0.68 0.00 0.00 175.30 175.27 3kp1 s GLN 427 N -1.53 4.26 0.57 3.54 1.11 -1.26 -3.49 119.66 122.85 3kp1 s GLN 427 Ca 0.21 0.59 0.26 0.00 0.01 0.00 0.00 55.36 56.42 3kp1 s GLN 427 Cb -0.12 -3.35 1.56 0.00 -1.01 0.00 0.00 33.01 30.09 3kp1 s GLN 427 CO 0.11 0.35 2.12 0.97 0.01 0.00 0.00 175.29 178.84 3kp1 h ILE 428 N 4.26 0.63 -0.36 1.08 2.10 -1.99 -0.16 117.51 123.08 3kp1 h ILE 428 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 3kp1 h ILE 428 Cb 1.20 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 3kp1 h ILE 428 CO 0.70 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 177.31 3kp1 n ASN 429 N -4.06 3.18 -1.49 2.19 6.94 -1.26 -4.65 115.26 116.11 3kp1 n ASN 429 Ca 0.01 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 3kp1 n ASN 429 Cb 0.29 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3kp1 n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kp1 n GLY 430 N 1.17 4.40 0.00 4.83 0.00 -0.07 -4.73 105.19 110.78 3kp1 n GLY 430 Ca 0.16 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3kp1 n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kp1 n GLY 431 N 5.00 -1.73 3.71 -0.02 0.00 -1.26 -4.06 105.19 106.83 3kp1 n GLY 431 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3kp1 n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kp1 s ILE 432 N -1.96 2.72 0.00 -0.61 -1.09 -0.28 -2.44 121.20 117.54 3kp1 s ILE 432 Ca 0.00 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 3kp1 s ILE 432 Cb 0.00 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 3kp1 s ILE 432 CO 0.00 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 3kp1 n GLY 433 N 3.83 0.61 3.69 6.18 0.00 -1.26 -0.82 105.19 117.42 3kp1 n GLY 433 Ca 0.15 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 3kp1 n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 n ALA 434 N 0.28 1.45 -1.04 4.61 0.00 -1.02 -2.32 120.51 122.47 3kp1 n ALA 434 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 3kp1 n ALA 434 Cb 0.00 -2.32 -0.00 0.00 0.00 0.00 0.00 19.45 17.13 3kp1 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kp1 n GLY 435 N 2.12 0.45 0.83 0.00 0.00 -1.26 -4.93 105.19 102.40 3kp1 n GLY 435 Ca 0.11 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 45.14 3kp1 n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kp1 n THR 436 N -2.98 2.28 -3.63 2.61 -2.24 -0.98 -4.97 114.28 104.37 3kp1 n THR 436 Ca -0.01 -2.10 -0.36 0.00 -2.27 0.00 0.00 64.05 59.31 3kp1 n THR 436 Cb 0.04 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 3kp1 n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kp1 s VAL 437 N -2.92 5.35 -0.11 2.28 1.01 -1.26 -5.03 120.40 119.73 3kp1 s VAL 437 Ca 0.41 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3kp1 s VAL 437 Cb 0.35 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3kp1 s VAL 437 CO 0.06 0.42 -0.15 -0.36 0.00 0.00 0.00 175.10 175.08 3kp1 s PHE 438 N 0.32 1.95 0.38 5.22 0.08 -1.26 -5.11 117.98 119.56 3kp1 s PHE 438 Ca 0.13 -0.91 -0.27 0.00 0.12 0.00 0.00 56.93 56.00 3kp1 s PHE 438 Cb -0.12 -1.41 -0.10 0.00 -0.57 0.00 0.00 43.02 40.82 3kp1 s PHE 438 CO 0.02 -0.47 1.39 -2.00 -0.10 0.00 0.00 175.22 174.06 3kp1 s GLU 439 N 0.97 4.09 0.02 0.44 2.12 -1.26 -4.98 118.70 120.11 3kp1 s GLU 439 Ca -0.07 2.36 -0.28 0.00 0.36 0.00 0.00 54.97 57.34 3kp1 s GLU 439 Cb -0.15 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 3kp1 s GLU 439 CO -0.01 -0.47 0.89 1.03 -0.54 0.00 0.00 175.26 176.16 3kp1 s ARG 440 N -2.09 4.56 0.64 4.30 0.52 -1.26 -5.06 118.95 120.56 3kp1 s ARG 440 Ca 0.54 1.28 -0.09 0.00 -0.52 0.00 0.00 55.73 56.93 3kp1 s ARG 440 Cb -0.42 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.63 3kp1 s ARG 440 CO 0.56 0.08 1.00 -0.51 0.02 0.00 0.00 175.30 176.46 3kp1 s ASP 441 N 0.57 5.60 0.60 0.23 1.01 -1.26 -4.93 116.67 118.50 3kp1 s ASP 441 Ca 0.46 0.98 0.40 0.00 0.71 0.00 0.00 52.55 55.11 3kp1 s ASP 441 Cb -0.21 -1.90 2.19 0.00 1.01 0.00 0.00 42.92 44.01 3kp1 s ASP 441 CO 0.26 -1.16 2.23 1.05 0.21 0.00 0.00 175.17 177.76 3kp1 h GLU 442 N -0.41 0.00 -0.46 8.23 9.09 -2.03 0.43 114.58 129.43 3kp1 h GLU 442 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3kp1 h GLU 442 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3kp1 h GLU 442 CO 0.62 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 179.28 3kp1 n ASP 443 N -2.92 4.09 -4.65 3.06 5.75 -1.26 -4.74 116.55 115.88 3kp1 n ASP 443 Ca -0.03 -2.51 -0.44 0.00 -0.01 0.00 0.00 54.79 51.81 3kp1 n ASP 443 Cb 0.07 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 39.66 3kp1 n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kp1 n TYR 444 N 0.51 1.90 -3.78 2.11 9.36 0.14 -4.85 117.16 122.54 3kp1 n TYR 444 Ca 0.21 0.58 -0.13 0.00 3.32 0.00 0.00 57.90 61.88 3kp1 n TYR 444 Cb 0.78 -2.37 -0.10 0.00 -0.63 0.00 0.00 39.34 37.02 3kp1 n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3kp1 s MET 445 N -1.39 0.43 -0.19 2.98 -2.45 -1.26 -1.12 119.30 116.29 3kp1 s MET 445 Ca 0.60 0.17 -0.04 0.00 -1.25 0.00 0.00 55.69 55.17 3kp1 s MET 445 Cb -0.64 0.20 0.07 0.00 1.25 0.00 0.00 34.83 35.71 3kp1 s MET 445 CO 0.58 -0.08 0.08 0.00 1.05 0.00 0.00 175.02 176.65 3kp1 s ALA 446 N -0.37 0.62 0.00 4.11 0.00 -1.26 -5.00 121.76 119.87 3kp1 s ALA 446 Ca -0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 3kp1 s ALA 446 Cb -0.03 -1.13 -0.21 0.00 0.00 0.00 0.00 23.12 21.74 3kp1 s ALA 446 CO 0.01 -1.24 3.23 -0.35 0.00 0.00 0.00 175.76 177.41 3kp1 n PRO 447 N 5.21 1.76 -4.10 0.00 -0.05 -1.26 -4.85 135.00 131.70 3kp1 n PRO 447 Ca -0.07 -0.79 -0.08 0.00 -0.05 0.00 0.00 63.50 62.51 3kp1 n PRO 447 Cb 0.47 -1.80 -0.10 0.00 -0.05 0.00 0.00 33.50 32.02 3kp1 n PRO 447 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3kp1 s VAL 448 N 0.88 0.28 0.61 0.52 -7.23 -1.26 -3.92 120.40 110.28 3kp1 s VAL 448 Ca 0.53 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 3kp1 s VAL 448 Cb 0.25 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 3kp1 s VAL 448 CO 0.00 -0.96 1.06 -0.89 -0.31 0.00 0.00 175.10 174.00 3kp1 s THR 449 N -3.79 3.75 -1.25 5.32 2.01 -1.26 -4.17 115.64 116.25 3kp1 s THR 449 Ca 0.07 0.81 -0.03 0.00 0.31 0.00 0.00 61.69 62.85 3kp1 s THR 449 Cb 0.07 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3kp1 s THR 449 CO -0.09 -0.50 0.42 0.00 -0.69 0.00 0.00 174.62 173.76 3kp1 n ALA 450 N -2.13 -0.73 -2.64 7.40 0.00 -1.26 -5.01 120.51 116.15 3kp1 n ALA 450 Ca 0.09 0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 3kp1 n ALA 450 Cb 0.53 -3.02 -0.06 0.00 0.00 0.00 0.00 19.45 16.89 3kp1 n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kp1 s HIS 451 N -3.02 3.60 -0.17 0.00 5.04 -1.26 -4.27 115.29 115.22 3kp1 s HIS 451 Ca 0.21 0.83 -0.22 0.00 -1.54 0.00 0.00 55.06 54.35 3kp1 s HIS 451 Cb -0.09 -2.34 -0.23 0.00 0.04 0.00 0.00 32.58 29.96 3kp1 s HIS 451 CO 0.26 0.44 0.42 0.35 -2.34 0.00 0.00 174.74 173.87 3kp1 h PHE 452 N 5.70 0.11 -2.75 3.88 3.57 -1.90 -3.49 116.94 122.06 3kp1 h PHE 452 Ca -0.47 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 60.82 3kp1 h PHE 452 Cb 1.20 -0.00 0.05 0.00 2.79 0.00 0.00 35.95 39.98 3kp1 h PHE 452 CO 0.66 1.40 0.11 0.41 -2.23 0.00 0.00 178.31 178.66 3kp1 n GLY 453 N 1.56 -0.93 3.59 2.40 0.00 -1.26 -4.96 105.19 105.59 3kp1 n GLY 453 Ca -0.25 -1.73 -0.51 0.00 0.00 0.00 0.00 46.02 43.53 3kp1 n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kp1 n TYR 454 N -2.42 1.52 -3.43 1.61 9.36 -1.26 -4.96 117.16 117.58 3kp1 n TYR 454 Ca 0.05 0.62 -0.20 0.00 3.32 0.00 0.00 57.90 61.69 3kp1 n TYR 454 Cb 0.17 -2.34 -0.11 0.00 -0.63 0.00 0.00 39.34 36.44 3kp1 n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kp1 s ASN 455 N 0.40 2.11 -0.94 2.98 2.47 -1.26 -4.83 114.94 115.87 3kp1 s ASN 455 Ca 0.81 -0.99 -0.24 0.00 0.42 0.00 0.00 52.86 52.86 3kp1 s ASN 455 Cb -0.91 0.28 0.05 0.00 -1.45 0.00 0.00 41.25 39.23 3kp1 s ASN 455 CO 0.47 -0.39 1.37 0.21 -3.72 0.00 0.00 177.10 175.05 3kp1 s ASN 456 N 2.18 6.42 -0.01 -4.21 3.84 -0.28 -4.67 114.94 118.22 3kp1 s ASN 456 Ca 0.10 -1.24 0.22 0.00 0.21 0.00 0.00 52.86 52.15 3kp1 s ASN 456 Cb -0.15 -2.55 -0.29 0.00 -0.55 0.00 0.00 41.25 37.71 3kp1 s ASN 456 CO -0.30 -1.56 0.54 0.52 -2.79 0.00 0.00 177.10 173.51 3kp1 n VAL 457 N 6.65 0.14 0.27 -5.21 0.31 -1.26 -4.31 118.33 114.91 3kp1 n VAL 457 Ca 0.24 -0.52 0.13 0.00 -0.01 0.00 0.00 64.34 64.18 3kp1 n VAL 457 Cb 0.50 -0.06 0.74 0.00 -0.91 0.00 0.00 33.84 34.11 3kp1 n VAL 457 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kp1 h LYS 458 N 0.00 0.00 0.00 5.55 3.64 -1.83 0.93 116.57 124.86 3kp1 h LYS 458 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kp1 h LYS 458 Cb 1.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3kp1 h LYS 458 CO 0.00 0.11 -0.01 -0.56 -2.27 0.00 0.00 179.45 176.72 3kp1 h GLN 459 N 0.00 0.00 0.00 1.90 3.07 -1.97 -3.01 115.11 115.10 3kp1 h GLN 459 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 3kp1 h GLN 459 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.82 3kp1 h GLN 459 CO 0.01 0.01 -1.90 0.66 0.09 0.00 0.00 178.83 177.70 3kp1 n TYR 460 N -3.14 0.00 -3.16 0.06 4.01 -0.01 -5.03 117.16 109.88 3kp1 n TYR 460 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 3kp1 n TYR 460 Cb 0.18 -0.64 -0.02 0.00 -0.31 0.00 0.00 39.34 38.55 3kp1 n TYR 460 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kp1 s ASP 461 N -4.82 -0.23 0.27 7.72 2.15 0.11 -5.03 116.67 116.84 3kp1 s ASP 461 Ca -0.10 0.16 -0.00 0.00 0.43 0.00 0.00 52.55 53.04 3kp1 s ASP 461 Cb 0.04 1.20 0.61 0.00 -0.30 0.00 0.00 42.92 44.47 3kp1 s ASP 461 CO 0.50 -0.04 1.70 -0.33 -0.17 0.00 0.00 175.17 176.82 3kp1 h GLU 462 N 7.88 0.36 -0.16 4.34 3.07 -1.79 -2.46 114.58 125.80 3kp1 h GLU 462 Ca -0.12 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 3kp1 h GLU 462 Cb 1.17 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3kp1 h GLU 462 CO -0.14 0.24 -0.05 0.00 -1.40 0.00 0.00 179.01 177.65 3kp1 h ALA 463 N 1.66 1.62 -0.20 3.43 0.00 -1.95 -2.93 119.26 120.89 3kp1 h ALA 463 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3kp1 h ALA 463 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kp1 h ALA 463 CO -0.51 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.30 3kp1 n LEU 464 N -4.35 1.46 -0.34 0.00 4.32 -0.93 -4.33 117.00 112.83 3kp1 n LEU 464 Ca -0.01 -0.66 0.10 0.00 -0.02 0.00 0.00 56.01 55.43 3kp1 n LEU 464 Cb 0.21 -0.13 0.30 0.00 -1.62 0.00 0.00 43.42 42.18 3kp1 n LEU 464 CO 0.37 0.33 1.22 0.58 -1.22 0.00 0.00 177.39 178.67 3kp1 h VAL 465 N 1.80 0.82 -0.00 4.08 2.07 -1.62 -0.06 116.25 123.35 3kp1 h VAL 465 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kp1 h VAL 465 Cb 0.40 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3kp1 h VAL 465 CO 0.00 0.16 -0.18 -1.54 0.02 0.00 0.00 177.57 176.03 3kp1 n SER 466 N -4.66 0.41 -3.15 0.57 3.41 -1.26 -4.24 113.62 104.70 3kp1 n SER 466 Ca 0.20 -0.30 -0.22 0.00 -0.26 0.00 0.00 58.87 58.30 3kp1 n SER 466 Cb 0.46 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 3kp1 n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kp1 n GLU 467 N -1.17 0.75 0.13 4.33 -0.58 -0.06 -4.97 120.64 119.07 3kp1 n GLU 467 Ca 0.11 -3.10 0.19 0.00 -0.42 0.00 0.00 57.16 53.94 3kp1 n GLU 467 Cb 0.31 -1.28 0.77 0.00 -0.57 0.00 0.00 31.44 30.66 3kp1 n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kp1 h PRO 468 N 3.88 0.00 0.00 3.49 0.11 -1.68 0.79 132.00 138.59 3kp1 h PRO 468 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3kp1 h PRO 468 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3kp1 h PRO 468 CO 0.45 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.90 3kp1 h SER 469 N 0.00 0.00 -0.70 -2.05 4.64 -1.77 -2.46 113.55 111.21 3kp1 h SER 469 Ca 0.15 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.50 3kp1 h SER 469 Cb 0.79 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 3kp1 h SER 469 CO -0.00 0.00 0.46 0.11 -0.87 0.00 0.00 176.83 176.53 3kp1 h LYS 470 N 0.00 0.85 -0.85 4.77 1.57 -1.14 0.25 116.57 122.01 3kp1 h LYS 470 Ca 0.00 -0.05 0.25 0.00 -1.87 0.00 0.00 60.65 58.98 3kp1 h LYS 470 Cb 0.46 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3kp1 h LYS 470 CO 0.00 0.56 0.78 -0.07 -0.57 0.00 0.00 179.45 180.15 3kp1 h LEU 471 N 0.87 0.00 -2.78 2.94 4.07 -1.61 -0.59 115.31 118.21 3kp1 h LEU 471 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 3kp1 h LEU 471 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 3kp1 h LEU 471 CO -0.07 0.00 -0.07 2.30 -1.08 0.00 0.00 178.44 179.52 3kp1 n ILE 472 N -3.77 1.38 -3.48 1.22 -5.35 -0.39 -5.00 119.36 103.97 3kp1 n ILE 472 Ca 0.18 -1.62 -0.21 0.00 -0.27 0.00 0.00 62.75 60.83 3kp1 n ILE 472 Cb 1.07 0.05 0.08 0.00 -1.74 0.00 0.00 39.64 39.10 3kp1 n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kp1 n ASP 473 N -1.00 -5.07 0.00 7.28 8.00 -0.23 -4.79 116.55 120.74 3kp1 n ASP 473 Ca 0.10 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.07 3kp1 n ASP 473 Cb 0.57 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.89 3kp1 n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kp1 n GLY 474 N -1.72 1.05 3.92 0.44 0.00 -0.06 -4.97 105.19 103.85 3kp1 n GLY 474 Ca -0.06 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 3kp1 n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kp1 h THR 476 N -0.62 0.28 0.00 0.00 1.35 -1.94 0.26 112.91 112.24 3kp1 h THR 476 Ca -0.33 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.42 3kp1 h THR 476 Cb 1.24 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 3kp1 h THR 476 CO 0.36 0.00 -0.49 -0.07 -0.25 0.00 0.00 175.52 175.07 3kp1 h LEU 477 N 0.00 0.00 0.00 3.87 3.38 -1.97 -3.10 115.31 117.49 3kp1 h LEU 477 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3kp1 h LEU 477 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kp1 h LEU 477 CO -0.00 0.49 -1.95 -0.62 0.09 0.00 0.00 178.44 176.44 3kp1 n GLU 478 N -3.94 0.66 -3.51 1.13 4.71 0.04 -4.81 120.64 114.92 3kp1 n GLU 478 Ca -0.01 -0.06 -0.28 0.00 -0.01 0.00 0.00 57.16 56.80 3kp1 n GLU 478 Cb 0.51 -1.58 -0.11 0.00 -1.01 0.00 0.00 31.44 29.24 3kp1 n GLU 478 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kp1 s VAL 479 N -3.12 0.74 0.59 2.62 1.01 0.69 -4.96 120.40 117.97 3kp1 s VAL 479 Ca -0.07 -2.66 0.29 0.00 0.00 0.00 0.00 61.98 59.53 3kp1 s VAL 479 Cb 0.11 -1.52 0.38 0.00 0.00 0.00 0.00 36.38 35.34 3kp1 s VAL 479 CO 0.86 -1.12 1.91 -0.65 0.00 0.00 0.00 175.10 176.11 3kp1 h PRO 480 N 6.00 0.00 -0.63 2.72 0.11 -1.81 -0.79 132.00 137.60 3kp1 h PRO 480 Ca 0.18 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.40 3kp1 h PRO 480 Cb 0.90 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 3kp1 h PRO 480 CO 0.41 0.00 0.42 0.93 -0.21 0.00 0.00 178.00 179.55 3kp1 h GLU 481 N 0.00 0.37 0.00 1.05 3.07 -1.93 -2.09 114.58 115.05 3kp1 h GLU 481 Ca 0.20 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3kp1 h GLU 481 Cb 1.10 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3kp1 h GLU 481 CO -0.00 0.25 0.00 1.63 -1.40 0.00 0.00 179.01 179.49 3kp1 n LYS 482 N -4.47 0.09 -2.16 2.33 5.02 -0.30 -4.82 118.16 113.85 3kp1 n LYS 482 Ca 0.11 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 3kp1 n LYS 482 Cb 0.42 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3kp1 n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kp1 s ILE 483 N -3.09 3.21 -0.31 -0.18 1.01 -0.79 -4.97 121.20 116.08 3kp1 s ILE 483 Ca 0.08 0.90 -0.19 0.00 0.00 0.00 0.00 60.65 61.44 3kp1 s ILE 483 Cb 0.12 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3kp1 s ILE 483 CO 0.41 0.09 0.56 -0.69 0.00 0.00 0.00 174.94 175.30 3kp1 s VAL 484 N 0.85 5.00 -0.21 2.92 1.01 -1.26 -5.05 120.40 123.66 3kp1 s VAL 484 Ca 0.63 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 3kp1 s VAL 484 Cb -0.37 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3kp1 s VAL 484 CO 0.33 -0.11 0.42 -0.47 0.00 0.00 0.00 175.10 175.26 3kp1 s TYR 485 N 2.46 3.36 -0.18 5.22 5.04 -1.26 -5.07 117.35 126.93 3kp1 s TYR 485 Ca 0.22 0.63 -0.04 0.00 -2.44 0.00 0.00 57.07 55.44 3kp1 s TYR 485 Cb -0.15 -2.56 -0.02 0.00 0.35 0.00 0.00 41.96 39.57 3kp1 s TYR 485 CO 0.12 -0.05 -0.03 0.42 -1.34 0.00 0.00 175.55 174.67 3kp1 s ILE 486 N 1.47 3.81 0.00 3.14 1.01 -1.26 -5.06 121.20 124.30 3kp1 s ILE 486 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3kp1 s ILE 486 Cb -0.15 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.63 3kp1 s ILE 486 CO 0.08 0.46 0.06 -0.67 0.00 0.00 0.00 174.94 174.87 3kp1 n ASP 487 N 3.94 0.00 -4.11 3.58 2.03 -1.26 -4.31 116.55 116.42 3kp1 n ASP 487 Ca -0.17 0.20 -0.12 0.00 0.52 0.00 0.00 54.79 55.21 3kp1 n ASP 487 Cb 0.52 -0.16 -0.11 0.00 -0.72 0.00 0.00 41.12 40.65 3kp1 n ASP 487 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3kp1 s GLU 488 N -0.43 0.66 0.00 -0.67 0.41 -1.26 -2.85 118.70 114.56 3kp1 s GLU 488 Ca 0.00 -0.98 0.00 0.00 -0.41 0.00 0.00 54.97 53.58 3kp1 s GLU 488 Cb 0.00 -0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.06 3kp1 s GLU 488 CO 0.00 0.03 0.00 1.28 -0.49 0.00 0.00 175.26 176.08 3kp1 n LEU 489 N 0.90 0.00 -4.38 1.80 4.77 -1.26 -4.95 117.00 113.88 3kp1 n LEU 489 Ca -0.19 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.44 3kp1 n LEU 489 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 3kp1 n LEU 489 CO 0.24 0.00 -0.34 -0.62 -1.33 0.00 0.00 177.39 175.34 3kp1 s ASP 490 N -1.93 4.69 0.36 -1.43 -1.08 -1.26 -4.99 116.67 111.04 3kp1 s ASP 490 Ca 0.00 -0.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.90 3kp1 s ASP 490 Cb 0.00 -1.82 0.68 0.00 -1.46 0.00 0.00 42.92 40.32 3kp1 s ASP 490 CO 0.00 -0.01 1.76 1.05 0.52 0.00 0.00 175.17 178.49 3kp1 h GLU 491 N 8.03 0.00 0.00 4.34 -0.00 -2.02 -3.32 114.58 121.60 3kp1 h GLU 491 Ca -0.39 0.00 -0.38 0.00 -0.00 0.00 0.00 59.36 58.59 3kp1 h GLU 491 Cb 1.17 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.85 3kp1 h GLU 491 CO 0.59 0.41 -2.42 0.09 -0.00 0.00 0.00 179.01 177.69 3kp1 n ASN 492 N -3.75 1.07 -4.31 3.06 3.02 -1.26 -4.75 115.26 108.34 3kp1 n ASN 492 Ca -0.01 -0.07 -0.44 0.00 -0.03 0.00 0.00 54.58 54.03 3kp1 n ASN 492 Cb 0.48 0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.92 3kp1 n ASN 492 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kp1 n ASP 493 N -3.01 5.41 -3.95 6.41 2.03 -1.25 -4.84 116.55 117.36 3kp1 n ASP 493 Ca -0.39 -3.05 -0.08 0.00 0.52 0.00 0.00 54.79 51.78 3kp1 n ASP 493 Cb 1.06 -1.35 -0.04 0.00 -0.72 0.00 0.00 41.12 40.08 3kp1 n ASP 493 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kp1 s ASN 494 N 1.12 -0.15 0.38 1.67 2.20 -1.26 -3.73 114.94 115.17 3kp1 s ASN 494 Ca 0.31 -0.82 0.12 0.00 -0.94 0.00 0.00 52.86 51.52 3kp1 s ASN 494 Cb -0.09 0.64 0.77 0.00 -2.00 0.00 0.00 41.25 40.56 3kp1 s ASN 494 CO -0.08 -1.21 1.87 1.62 -2.94 0.00 0.00 177.10 176.35 3kp1 h VAL 495 N 2.17 1.22 0.32 3.54 3.04 -1.94 -1.75 116.25 122.85 3kp1 h VAL 495 Ca -0.24 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.39 3kp1 h VAL 495 Cb 1.25 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 3kp1 h VAL 495 CO 0.31 0.31 -0.15 0.78 -1.01 0.00 0.00 177.57 177.80 3kp1 h ASN 496 N 0.08 -0.36 -1.00 3.17 2.35 -1.97 0.15 115.58 117.99 3kp1 h ASN 496 Ca 0.01 -0.16 0.16 0.00 -0.55 0.00 0.00 56.30 55.76 3kp1 h ASN 496 Cb 0.54 0.09 -0.10 0.00 0.05 0.00 0.00 38.32 38.90 3kp1 h ASN 496 CO 0.04 -0.02 0.62 0.58 -1.65 0.00 0.00 177.43 177.01 3kp1 h VAL 497 N -0.74 0.81 -0.32 2.81 2.07 -1.85 -1.73 116.25 117.30 3kp1 h VAL 497 Ca -0.04 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3kp1 h VAL 497 Cb 0.50 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3kp1 h VAL 497 CO 0.07 0.16 -0.01 -0.09 0.02 0.00 0.00 177.57 177.72 3kp1 h ARG 498 N 0.88 0.56 -0.52 1.57 2.43 -0.90 -2.84 114.38 115.56 3kp1 h ARG 498 Ca 0.54 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3kp1 h ARG 498 Cb 0.70 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3kp1 h ARG 498 CO -0.32 0.70 0.04 0.52 -1.51 0.00 0.00 179.97 179.40 3kp1 h MET 499 N 0.36 0.84 -1.00 0.20 2.86 -0.34 -2.80 114.93 115.05 3kp1 h MET 499 Ca 0.09 -0.22 0.12 0.00 -2.06 0.00 0.00 59.70 57.63 3kp1 h MET 499 Cb 0.45 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 3kp1 h MET 499 CO 0.02 0.82 0.63 1.49 1.06 0.00 0.00 176.91 180.93 3kp1 h GLU 500 N 0.79 0.98 0.00 1.72 4.22 -1.09 -0.99 114.58 120.22 3kp1 h GLU 500 Ca 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 3kp1 h GLU 500 Cb 0.42 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3kp1 h GLU 500 CO 0.01 0.65 -0.03 0.93 -2.18 0.00 0.00 179.01 178.39 3kp1 h GLU 501 N 1.01 0.00 -0.15 1.92 4.39 -1.36 -3.08 114.58 117.31 3kp1 h GLU 501 Ca 0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.19 3kp1 h GLU 501 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3kp1 h GLU 501 CO -0.26 0.03 0.00 0.25 -1.16 0.00 0.00 179.01 177.87 3kp1 n THR 502 N -4.25 1.17 0.33 1.13 -2.24 -0.43 -4.71 114.28 105.27 3kp1 n THR 502 Ca -0.03 -1.17 0.19 0.00 -2.27 0.00 0.00 64.05 60.77 3kp1 n THR 502 Cb 0.12 0.38 0.99 0.00 -2.10 0.00 0.00 70.33 69.72 3kp1 n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kp1 h LYS 503 N 0.91 0.00 0.00 -0.78 1.57 -1.30 0.14 116.57 117.11 3kp1 h LYS 503 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kp1 h LYS 503 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3kp1 h LYS 503 CO 0.02 0.00 -0.06 1.05 -0.57 0.00 0.00 179.45 179.88 3kp1 h GLU 504 N 0.00 0.00 -0.88 3.15 9.09 -1.84 -2.59 114.58 121.50 3kp1 h GLU 504 Ca 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.04 3kp1 h GLU 504 Cb 0.39 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 27.27 3kp1 h GLU 504 CO -0.00 0.06 0.47 1.19 0.05 0.00 0.00 179.01 180.78 3kp1 n PHE 505 N -3.51 2.80 -2.71 2.06 3.01 0.51 -4.65 117.46 114.97 3kp1 n PHE 505 Ca -0.02 -1.53 -0.12 0.00 1.01 0.00 0.00 57.45 56.79 3kp1 n PHE 505 Cb 0.18 -0.83 0.02 0.00 -0.01 0.00 0.00 39.48 38.85 3kp1 n PHE 505 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3kp1 n ARG 506 N -0.64 1.35 0.00 -1.08 1.74 -0.98 -5.01 116.66 112.04 3kp1 n ARG 506 Ca 0.51 -3.40 0.10 0.00 -0.77 0.00 0.00 57.85 54.30 3kp1 n ARG 506 Cb 1.54 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 31.58 3kp1 n ARG 506 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kp1 n SER 509 N -0.06 1.96 -4.82 0.55 3.41 -1.26 -5.03 113.62 108.37 3kp1 n SER 509 Ca 0.14 -1.48 -0.35 0.00 -0.26 0.00 0.00 58.87 56.92 3kp1 n SER 509 Cb 0.78 0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 65.15 3kp1 n SER 509 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3kp1 s MET 510 N -2.37 4.20 -0.01 4.33 -1.94 -1.26 -1.08 119.30 121.17 3kp1 s MET 510 Ca 0.17 0.88 -0.03 0.00 -1.71 0.00 0.00 55.69 55.00 3kp1 s MET 510 Cb 0.17 -2.66 -0.00 0.00 2.01 0.00 0.00 34.83 34.35 3kp1 s MET 510 CO 0.54 0.26 0.06 0.42 -0.01 0.00 0.00 175.02 176.29 3kp1 s ILE 511 N -1.75 0.05 0.10 2.53 -1.09 -0.17 -4.84 121.20 116.04 3kp1 s ILE 511 Ca 0.49 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3kp1 s ILE 511 Cb -0.14 -0.22 -0.04 0.00 -1.58 0.00 0.00 42.46 40.48 3kp1 s ILE 511 CO 0.19 -0.22 0.03 -1.59 -1.23 0.00 0.00 174.94 172.12 3kp1 s LYS 512 N -0.69 0.83 0.90 2.79 -2.85 -1.26 -1.11 119.74 118.36 3kp1 s LYS 512 Ca -0.08 -1.37 -0.11 0.00 -1.00 0.00 0.00 55.97 53.41 3kp1 s LYS 512 Cb -0.05 0.23 0.14 0.00 -2.06 0.00 0.00 37.83 36.09 3kp1 s LYS 512 CO 0.00 -0.21 1.10 -1.25 0.10 0.00 0.00 175.35 175.09 3kp1 s PRO 513 N -4.01 1.15 0.11 1.78 0.04 -1.26 -4.70 135.00 128.11 3kp1 s PRO 513 Ca 0.19 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 3kp1 s PRO 513 Cb 0.08 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.86 3kp1 s PRO 513 CO -0.02 -2.41 0.29 -1.83 0.04 0.00 0.00 177.00 173.07 3kp1 s GLU 514 N -4.77 0.96 -0.04 4.56 -1.05 -1.26 -0.97 118.70 116.13 3kp1 s GLU 514 Ca 0.65 -0.87 0.04 0.00 -0.15 0.00 0.00 54.97 54.64 3kp1 s GLU 514 Cb -0.20 0.40 -0.06 0.00 -0.44 0.00 0.00 34.13 33.83 3kp1 s GLU 514 CO 0.58 -0.34 0.04 1.33 0.95 0.00 0.00 175.26 177.81 3kp1 n VAL 515 N -0.14 0.25 0.00 1.83 0.24 -1.26 -4.81 118.33 114.45 3kp1 n VAL 515 Ca -0.15 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3kp1 n VAL 515 Cb 0.63 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 3kp1 n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kp1 n GLU 516 N -2.07 0.00 -4.94 7.34 0.28 -1.26 -1.05 120.64 118.94 3kp1 n GLU 516 Ca -0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.62 3kp1 n GLU 516 Cb 0.54 -0.29 -0.14 0.00 1.43 0.00 0.00 31.44 32.98 3kp1 n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kp1 s TRP 517 N -1.00 2.54 -0.35 -1.84 0.51 -1.26 -4.68 118.94 112.85 3kp1 s TRP 517 Ca 0.00 -0.28 -0.45 0.00 -2.12 0.00 0.00 56.10 53.26 3kp1 s TRP 517 Cb 0.00 -1.53 -0.20 0.00 -0.81 0.00 0.00 33.47 30.93 3kp1 s TRP 517 CO 0.00 0.14 1.46 0.94 -0.51 0.00 0.00 176.95 178.99 3kp1 n GLN 518 N 2.10 0.07 -2.07 4.98 7.27 -1.26 -1.29 117.38 127.18 3kp1 n GLN 518 Ca -0.17 0.02 -0.20 0.00 0.07 0.00 0.00 57.00 56.73 3kp1 n GLN 518 Cb 0.52 -1.53 -0.04 0.00 2.41 0.00 0.00 30.24 31.59 3kp1 n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kp1 n ALA 519 N 3.39 -0.48 0.51 1.69 0.00 -1.26 -4.86 120.51 119.49 3kp1 n ALA 519 Ca 0.28 0.23 0.08 0.00 0.00 0.00 0.00 53.44 54.03 3kp1 n ALA 519 Cb -0.01 -2.09 0.37 0.00 0.00 0.00 0.00 19.45 17.72 3kp1 n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kp1 n ASP 520 N -1.62 0.15 0.00 0.00 5.68 -0.42 -4.89 116.55 115.46 3kp1 n ASP 520 Ca -0.22 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 3kp1 n ASP 520 Cb 0.67 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3kp1 n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kp1 n GLY 521 N 0.10 0.68 3.74 6.12 0.00 -0.15 -4.83 105.19 110.86 3kp1 n GLY 521 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kp1 n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kp1 s THR 522 N -2.93 4.14 0.20 2.61 2.01 -1.26 -0.49 115.64 119.92 3kp1 s THR 522 Ca 0.00 1.92 0.02 0.00 0.31 0.00 0.00 61.69 63.93 3kp1 s THR 522 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 3kp1 s THR 522 CO 0.00 0.36 0.03 0.68 -0.69 0.00 0.00 174.62 175.00 3kp1 s VAL 523 N -0.47 0.67 -0.10 3.82 -7.23 -0.07 -4.14 120.40 112.87 3kp1 s VAL 523 Ca 0.46 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3kp1 s VAL 523 Cb -0.26 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 3kp1 s VAL 523 CO 0.33 -0.33 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.46 3kp1 s LEU 524 N -3.22 2.86 -0.10 1.32 2.96 -1.26 -2.03 118.68 119.20 3kp1 s LEU 524 Ca 0.28 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3kp1 s LEU 524 Cb 0.06 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3kp1 s LEU 524 CO 0.07 0.25 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.94 3kp1 s LEU 525 N -0.17 1.92 -0.08 -0.68 2.96 0.68 -4.98 118.68 118.33 3kp1 s LEU 525 Ca 0.00 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 3kp1 s LEU 525 Cb -0.13 -1.23 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 3kp1 s LEU 525 CO 0.03 0.09 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.02 3kp1 s THR 526 N 0.63 2.02 0.10 3.68 2.01 -1.26 -0.28 115.64 122.54 3kp1 s THR 526 Ca -0.13 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 60.71 3kp1 s THR 526 Cb -0.16 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.64 3kp1 s THR 526 CO 0.04 0.56 0.35 0.00 -0.69 0.00 0.00 174.62 174.87 3kp1 s MET 527 N 0.16 0.99 -0.11 4.92 0.23 -0.35 -5.01 119.30 120.12 3kp1 s MET 527 Ca -0.13 -0.71 0.00 0.00 -1.03 0.00 0.00 55.69 53.82 3kp1 s MET 527 Cb -0.16 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.54 3kp1 s MET 527 CO 0.07 -0.36 -0.11 0.12 -2.03 0.00 0.00 175.02 172.71 3kp1 s PHE 528 N -3.60 2.85 -0.11 3.16 5.36 -1.26 -0.79 117.98 123.59 3kp1 s PHE 528 Ca 0.02 -0.39 0.02 0.00 -0.96 0.00 0.00 56.93 55.62 3kp1 s PHE 528 Cb 0.02 -1.80 0.01 0.00 -0.34 0.00 0.00 43.02 40.91 3kp1 s PHE 528 CO -0.10 -0.02 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.97 3kp1 s LEU 529 N -0.03 1.71 -0.81 6.12 1.43 -0.62 -5.00 118.68 121.49 3kp1 s LEU 529 Ca -0.02 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 3kp1 s LEU 529 Cb -0.14 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.92 3kp1 s LEU 529 CO 0.04 0.01 2.36 -0.81 0.23 0.00 0.00 176.35 178.18 3kp1 n PRO 530 N 4.19 2.17 -4.04 1.29 -0.04 -1.26 -1.69 135.00 135.61 3kp1 n PRO 530 Ca -0.19 -1.39 -0.13 0.00 -0.04 0.00 0.00 63.50 61.76 3kp1 n PRO 530 Cb 0.51 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 3kp1 n PRO 530 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kp1 s THR 531 N 2.78 0.00 0.90 0.52 -1.32 -1.26 -4.73 115.64 112.53 3kp1 s THR 531 Ca 0.46 -1.51 -0.11 0.00 -1.21 0.00 0.00 61.69 59.31 3kp1 s THR 531 Cb 0.14 -2.56 0.13 0.00 -1.51 0.00 0.00 72.50 68.71 3kp1 s THR 531 CO -0.03 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.53 3kp1 s SER 532 N -3.17 3.33 0.18 8.08 1.04 -1.26 -3.30 113.70 118.59 3kp1 s SER 532 Ca 0.27 1.66 -0.08 0.00 0.48 0.00 0.00 55.95 58.29 3kp1 s SER 532 Cb -0.01 -2.31 0.06 0.00 0.10 0.00 0.00 66.02 63.86 3kp1 s SER 532 CO 0.16 -2.76 1.54 0.07 0.98 0.00 0.00 173.24 173.24 3kp1 h LYS 533 N -1.63 0.85 -0.00 4.02 2.10 -1.92 0.73 116.57 120.71 3kp1 h LYS 533 Ca -0.49 -0.41 -0.00 0.00 -2.00 0.00 0.00 60.65 57.76 3kp1 h LYS 533 Cb 1.28 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kp1 h LYS 533 CO 0.51 1.05 0.00 -0.09 -2.00 0.00 0.00 179.45 178.92 3kp1 h ARG 534 N 0.71 0.01 -0.56 0.07 2.43 -1.98 -1.28 114.38 113.77 3kp1 h ARG 534 Ca 0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3kp1 h ARG 534 Cb 0.89 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3kp1 h ARG 534 CO 0.08 0.30 0.37 0.28 -1.51 0.00 0.00 179.97 179.49 3kp1 h VAL 535 N -0.29 1.15 -0.86 0.20 2.07 -1.93 -2.61 116.25 113.98 3kp1 h VAL 535 Ca 0.00 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3kp1 h VAL 535 Cb 0.30 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3kp1 h VAL 535 CO 0.00 0.14 0.56 0.00 0.02 0.00 0.00 177.57 178.29 3kp1 h ALA 536 N 1.20 1.62 0.27 1.67 0.00 -0.72 -0.25 119.26 123.06 3kp1 h ALA 536 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kp1 h ALA 536 Cb -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3kp1 h ALA 536 CO -0.04 0.23 -0.13 1.49 0.00 0.00 0.00 179.25 180.79 3kp1 h GLU 537 N 0.90 -0.36 -0.28 0.00 4.81 -0.85 -0.12 114.58 118.68 3kp1 h GLU 537 Ca 0.38 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.52 3kp1 h GLU 537 Cb 0.32 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3kp1 h GLU 537 CO -0.15 -0.19 -0.33 0.74 -0.73 0.00 0.00 179.01 178.35 3kp1 h PHE 538 N -0.43 0.72 -0.77 0.92 0.04 -1.34 -1.99 116.94 114.09 3kp1 h PHE 538 Ca -0.04 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.51 3kp1 h PHE 538 Cb 0.33 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3kp1 h PHE 538 CO -0.04 0.87 0.35 0.00 -0.60 0.00 0.00 178.31 178.89 3kp1 h ALA 539 N 1.11 1.00 -0.66 2.45 0.00 -1.02 -2.24 119.26 119.91 3kp1 h ALA 539 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kp1 h ALA 539 Cb 0.82 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3kp1 h ALA 539 CO 0.07 0.58 0.11 0.00 0.00 0.00 0.00 179.25 180.01 3kp1 h ALA 540 N 1.18 0.95 -0.58 0.00 0.00 -0.73 -1.01 119.26 119.07 3kp1 h ALA 540 Ca 0.26 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3kp1 h ALA 540 Cb 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3kp1 h ALA 540 CO -0.03 0.66 0.31 0.82 0.00 0.00 0.00 179.25 181.01 3kp1 h ILE 541 N 1.01 0.97 -0.67 0.00 1.08 -1.10 -1.50 117.51 117.29 3kp1 h ILE 541 Ca 0.20 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 3kp1 h ILE 541 Cb 0.43 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 3kp1 h ILE 541 CO 0.01 0.11 0.11 -0.33 -0.69 0.00 0.00 178.15 177.36 3kp1 h GLU 542 N 0.60 1.11 -0.92 2.37 4.39 -1.06 -1.70 114.58 119.37 3kp1 h GLU 542 Ca 0.26 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kp1 h GLU 542 Cb 0.15 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 3kp1 h GLU 542 CO -0.16 1.01 0.57 0.74 -1.16 0.00 0.00 179.01 180.01 3kp1 h PHE 543 N 1.03 1.20 -0.46 4.33 0.04 -0.88 -1.56 116.94 120.64 3kp1 h PHE 543 Ca 0.20 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 3kp1 h PHE 543 Cb 0.44 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3kp1 h PHE 543 CO 0.03 0.78 -0.24 0.00 -0.60 0.00 0.00 178.31 178.29 3kp1 h ALA 544 N 1.37 0.71 -0.36 2.45 0.00 -0.89 -2.07 119.26 120.46 3kp1 h ALA 544 Ca 0.33 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kp1 h ALA 544 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kp1 h ALA 544 CO -0.07 0.67 0.06 0.87 0.00 0.00 0.00 179.25 180.78 3kp1 h LYS 545 N 0.82 0.60 0.00 0.00 1.57 -1.17 -1.69 116.57 116.71 3kp1 h LYS 545 Ca 0.10 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kp1 h LYS 545 Cb 0.81 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3kp1 h LYS 545 CO 0.07 0.67 0.08 0.87 -0.57 0.00 0.00 179.45 180.57 3kp1 h LYS 546 N 0.44 0.00 -0.46 3.15 1.79 -1.05 0.43 116.57 120.86 3kp1 h LYS 546 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3kp1 h LYS 546 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3kp1 h LYS 546 CO 0.01 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 177.05 3kp1 n MET 547 N -2.64 2.22 -1.00 3.15 2.81 -0.67 -4.94 117.12 116.04 3kp1 n MET 547 Ca -0.02 -1.88 -0.00 0.00 -1.81 0.00 0.00 57.70 53.99 3kp1 n MET 547 Cb 0.13 -1.43 -0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3kp1 n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kp1 n ASN 548 N 1.04 -3.12 -4.76 7.83 3.02 0.15 -5.03 115.26 114.38 3kp1 n ASN 548 Ca 0.18 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.35 3kp1 n ASN 548 Cb 0.46 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 3kp1 n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kp1 s LEU 549 N -0.02 4.49 0.37 3.41 1.43 -0.98 -4.41 118.68 122.98 3kp1 s LEU 549 Ca 0.00 1.91 0.08 0.00 -1.03 0.00 0.00 54.13 55.09 3kp1 s LEU 549 Cb 0.00 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 3kp1 s LEU 549 CO 0.00 0.03 0.27 -1.61 0.23 0.00 0.00 176.35 175.27 3kp1 s GLU 550 N -1.62 2.54 -1.48 1.70 0.41 0.30 -4.44 118.70 116.12 3kp1 s GLU 550 Ca 0.46 -1.47 -0.07 0.00 -0.41 0.00 0.00 54.97 53.47 3kp1 s GLU 550 Cb -0.23 -2.34 0.05 0.00 -1.78 0.00 0.00 34.13 29.84 3kp1 s GLU 550 CO 0.29 -0.00 0.71 0.39 -0.49 0.00 0.00 175.26 176.15 3kp1 n GLU 551 N -1.36 -4.26 -2.43 1.61 1.02 -1.26 0.04 120.64 113.99 3kp1 n GLU 551 Ca -0.00 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.22 3kp1 n GLU 551 Cb 0.61 -5.05 -0.03 0.00 -0.02 0.00 0.00 31.44 26.95 3kp1 n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kp1 s VAL 552 N -3.58 4.10 -0.04 2.62 1.01 -1.26 -4.49 120.40 118.76 3kp1 s VAL 552 Ca 0.33 1.49 -0.00 0.00 0.00 0.00 0.00 61.98 63.80 3kp1 s VAL 552 Cb -0.17 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.28 3kp1 s VAL 552 CO 0.86 0.09 0.01 -1.61 0.00 0.00 0.00 175.10 174.44 3kp1 s GLU 553 N 1.37 0.32 0.08 2.72 2.02 -0.61 -5.01 118.70 119.60 3kp1 s GLU 553 Ca 0.58 0.11 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 3kp1 s GLU 553 Cb -0.28 -0.57 -0.07 0.00 0.10 0.00 0.00 34.13 33.31 3kp1 s GLU 553 CO 0.27 -0.18 1.34 0.08 0.02 0.00 0.00 175.26 176.80 3kp1 s VAL 554 N 1.27 3.55 0.00 2.63 1.01 -1.26 -1.19 120.40 126.41 3kp1 s VAL 554 Ca -0.06 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3kp1 s VAL 554 Cb -0.13 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3kp1 s VAL 554 CO -0.02 0.07 0.07 2.30 0.00 0.00 0.00 175.10 177.51 3kp1 n ILE 555 N 4.05 0.00 -3.79 2.22 -5.35 0.54 -4.95 119.36 112.08 3kp1 n ILE 555 Ca 0.11 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 62.05 3kp1 n ILE 555 Cb 0.44 1.03 -0.11 0.00 -1.74 0.00 0.00 39.64 39.25 3kp1 n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kp1 s ASN 556 N -0.70 -0.23 -0.05 7.28 2.47 -0.99 -4.85 114.94 117.87 3kp1 s ASN 556 Ca 0.00 0.41 -0.02 0.00 0.42 0.00 0.00 52.86 53.67 3kp1 s ASN 556 Cb 0.00 0.47 0.04 0.00 -1.45 0.00 0.00 41.25 40.31 3kp1 s ASN 556 CO 0.00 -0.15 0.09 -0.13 -3.72 0.00 0.00 177.10 173.19 3kp1 s ARG 557 N -0.15 -0.00 -0.04 0.43 0.52 -1.26 -1.47 118.95 116.98 3kp1 s ARG 557 Ca -0.03 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 3kp1 s ARG 557 Cb -0.03 -0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.17 3kp1 s ARG 557 CO 0.01 -0.23 -0.01 -1.21 0.02 0.00 0.00 175.30 173.88 3kp1 s GLU 558 N 1.59 0.45 -0.20 3.54 2.02 -0.57 -5.01 118.70 120.52 3kp1 s GLU 558 Ca -0.04 0.04 -0.29 0.00 0.02 0.00 0.00 54.97 54.70 3kp1 s GLU 558 Cb -0.12 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.49 3kp1 s GLU 558 CO -0.04 -0.14 1.06 0.08 0.02 0.00 0.00 175.26 176.24 3kp1 s VAL 559 N 1.12 4.64 -0.08 2.63 1.01 -1.26 -0.97 120.40 127.49 3kp1 s VAL 559 Ca -0.08 1.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 3kp1 s VAL 559 Cb -0.14 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 3kp1 s VAL 559 CO -0.02 -0.14 0.61 0.24 0.00 0.00 0.00 175.10 175.79 3kp1 h MET 560 N 7.48 -0.16 -2.59 2.72 0.00 -1.50 -3.48 114.93 117.40 3kp1 h MET 560 Ca -0.22 0.01 -0.10 0.00 0.00 0.00 0.00 59.70 59.40 3kp1 h MET 560 Cb 1.08 0.04 -0.21 0.00 0.00 0.00 0.00 31.60 32.51 3kp1 h MET 560 CO 0.96 0.22 -0.10 -1.14 0.00 0.00 0.00 176.91 176.85 3kp1 s GLN 561 N -2.74 0.76 0.30 1.72 -0.44 -0.94 -4.94 119.66 113.37 3kp1 s GLN 561 Ca -0.10 0.20 0.05 0.00 -2.50 0.00 0.00 55.36 53.00 3kp1 s GLN 561 Cb -0.00 0.35 0.78 0.00 -1.64 0.00 0.00 33.01 32.50 3kp1 s GLN 561 CO 0.36 -0.19 1.67 1.49 0.50 0.00 0.00 175.29 179.12 3kp1 h GLU 562 N 4.05 0.29 0.00 1.67 4.81 -1.92 -2.06 114.58 121.41 3kp1 h GLU 562 Ca -0.28 -0.02 -0.40 0.00 -0.13 0.00 0.00 59.36 58.53 3kp1 h GLU 562 Cb 1.17 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 3kp1 h GLU 562 CO 0.34 0.19 -2.48 0.00 -0.73 0.00 0.00 179.01 176.32 3kp1 n ALA 563 N -2.56 1.39 -0.15 2.92 0.00 -1.26 -4.12 120.51 116.73 3kp1 n ALA 563 Ca 0.23 -1.10 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 3kp1 n ALA 563 Cb 0.72 -0.07 0.23 0.00 0.00 0.00 0.00 19.45 20.33 3kp1 n ALA 563 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kp1 h GLU 564 N -0.16 0.86 0.00 0.00 4.39 -1.84 -3.39 114.58 114.44 3kp1 h GLU 564 Ca -0.60 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 58.99 3kp1 h GLU 564 Cb 1.86 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 3kp1 h GLU 564 CO -0.14 0.68 0.00 0.41 -1.16 0.00 0.00 179.01 178.80 3kp1 n GLY 565 N -1.12 0.96 2.89 -3.84 0.00 -0.79 -4.03 105.19 99.26 3kp1 n GLY 565 Ca 0.05 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 3kp1 n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kp1 s THR 566 N -2.00 0.22 -0.07 2.61 2.01 -0.69 -1.17 115.64 116.55 3kp1 s THR 566 Ca 0.00 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 3kp1 s THR 566 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 3kp1 s THR 566 CO 0.00 0.09 0.60 -0.60 -0.69 0.00 0.00 174.62 174.01 3kp1 s ARG 567 N 0.22 4.38 -0.06 4.92 3.52 -0.14 -1.59 118.95 130.19 3kp1 s ARG 567 Ca -0.02 0.69 0.04 0.00 -0.13 0.00 0.00 55.73 56.31 3kp1 s ARG 567 Cb -0.04 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3kp1 s ARG 567 CO -0.01 0.16 -0.16 0.42 -0.81 0.00 0.00 175.30 174.90 3kp1 s ILE 568 N 0.54 1.38 -0.11 4.11 -1.09 0.03 -1.51 121.20 124.55 3kp1 s ILE 568 Ca 0.32 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 3kp1 s ILE 568 Cb -0.17 -1.21 -0.01 0.00 -1.58 0.00 0.00 42.46 39.49 3kp1 s ILE 568 CO 0.15 0.40 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.49 3kp1 s GLU 569 N 0.29 3.12 0.14 2.79 2.02 -0.54 -1.22 118.70 125.30 3kp1 s GLU 569 Ca -0.09 -0.74 0.08 0.00 0.02 0.00 0.00 54.97 54.24 3kp1 s GLU 569 Cb -0.14 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 3kp1 s GLU 569 CO 0.03 0.29 -0.17 -0.51 0.02 0.00 0.00 175.26 174.92 3kp1 s LEU 570 N 0.13 2.41 0.20 1.80 1.02 0.61 -0.34 118.68 124.52 3kp1 s LEU 570 Ca -0.08 -0.82 0.10 0.00 0.02 0.00 0.00 54.13 53.34 3kp1 s LEU 570 Cb -0.15 -0.73 -0.04 0.00 0.02 0.00 0.00 46.19 45.28 3kp1 s LEU 570 CO 0.05 -0.06 -0.13 -1.59 0.02 0.00 0.00 176.35 174.64 3kp1 s LYS 571 N -2.65 1.91 0.06 1.70 -2.85 -0.33 -0.23 119.74 117.35 3kp1 s LYS 571 Ca 0.12 -1.40 -0.27 0.00 -1.00 0.00 0.00 55.97 53.42 3kp1 s LYS 571 Cb -0.06 -2.04 0.09 0.00 -2.06 0.00 0.00 37.83 33.76 3kp1 s LYS 571 CO 0.05 0.41 0.89 0.20 0.10 0.00 0.00 175.35 177.00 3kp1 s GLY 572 N -2.95 -0.39 -0.17 0.59 0.00 -0.86 -1.57 107.32 101.97 3kp1 s GLY 572 Ca 0.25 0.65 -0.08 0.00 0.00 0.00 0.00 44.72 45.54 3kp1 s GLY 572 CO 0.14 0.20 0.11 -1.60 0.00 0.00 0.00 173.10 171.96 3kp1 s ARG 573 N -3.23 3.91 -0.26 2.90 3.52 0.11 -0.89 118.95 125.00 3kp1 s ARG 573 Ca 0.07 -0.23 -0.27 0.00 -0.13 0.00 0.00 55.73 55.17 3kp1 s ARG 573 Cb -0.01 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 3kp1 s ARG 573 CO -0.05 0.43 0.96 0.08 -0.81 0.00 0.00 175.30 175.91 3kp1 s VAL 574 N -0.04 4.70 -1.10 7.11 1.01 0.35 -0.54 120.40 131.90 3kp1 s VAL 574 Ca 0.09 1.72 0.05 0.00 0.00 0.00 0.00 61.98 63.84 3kp1 s VAL 574 Cb -0.12 -4.26 0.22 0.00 0.00 0.00 0.00 36.38 32.22 3kp1 s VAL 574 CO 0.00 -0.23 0.93 -0.81 0.00 0.00 0.00 175.10 174.99 3kp1 n PRO 575 N 6.35 1.95 -4.14 2.72 -0.04 -1.26 -4.75 135.00 135.83 3kp1 n PRO 575 Ca 0.09 -0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 62.56 3kp1 n PRO 575 Cb 0.47 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 3kp1 n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kp1 s PHE 576 N -1.56 1.05 0.30 0.54 -0.12 -1.26 -5.16 117.98 111.77 3kp1 s PHE 576 Ca 0.15 -1.25 0.07 0.00 -0.05 0.00 0.00 56.93 55.85 3kp1 s PHE 576 Cb 0.11 -0.28 -0.06 0.00 -0.63 0.00 0.00 43.02 42.16 3kp1 s PHE 576 CO 0.06 -0.90 -0.06 -1.12 -0.05 0.00 0.00 175.22 173.14 3kp1 s SER 577 N -3.18 3.06 -0.09 1.98 0.01 -1.26 -4.83 113.70 109.38 3kp1 s SER 577 Ca 0.33 -1.21 0.04 0.00 1.31 0.00 0.00 55.95 56.43 3kp1 s SER 577 Cb 0.02 -0.22 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 3kp1 s SER 577 CO 0.16 -0.32 -0.24 -0.63 0.41 0.00 0.00 173.24 172.63 3kp1 s ILE 578 N -2.90 2.10 -0.23 1.44 -1.09 -0.26 -4.94 121.20 115.32 3kp1 s ILE 578 Ca 0.31 -1.01 -0.24 0.00 -2.23 0.00 0.00 60.65 57.47 3kp1 s ILE 578 Cb 0.04 -1.79 -0.01 0.00 -1.58 0.00 0.00 42.46 39.12 3kp1 s ILE 578 CO 0.14 0.56 0.81 -0.62 -1.23 0.00 0.00 174.94 174.60 3kp1 s ASP 579 N 0.25 6.83 0.26 3.58 -1.08 -1.26 -1.00 116.67 124.25 3kp1 s ASP 579 Ca -0.16 1.03 -0.04 0.00 -0.52 0.00 0.00 52.55 52.86 3kp1 s ASP 579 Cb -0.17 -2.43 0.37 0.00 -1.46 0.00 0.00 42.92 39.23 3kp1 s ASP 579 CO 0.08 -0.48 1.88 0.40 0.52 0.00 0.00 175.17 177.57 3kp1 h ILE 580 N 5.38 1.11 -0.31 4.11 1.08 -1.47 -1.52 117.51 125.88 3kp1 h ILE 580 Ca -0.24 -0.40 0.09 0.00 -0.39 0.00 0.00 64.86 63.92 3kp1 h ILE 580 Cb 1.10 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 3kp1 h ILE 580 CO 0.86 0.21 0.23 0.78 -0.69 0.00 0.00 178.15 179.54 3kp1 h ASN 581 N 1.16 0.00 0.91 1.72 -0.26 -1.92 -1.55 115.58 115.64 3kp1 h ASN 581 Ca 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.15 3kp1 h ASN 581 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3kp1 h ASN 581 CO -0.16 0.00 0.00 -1.20 -1.06 0.00 0.00 177.43 175.01 3kp1 n SER 582 N -4.42 0.64 -4.75 5.81 7.64 -0.57 -4.84 113.62 113.13 3kp1 n SER 582 Ca 0.05 0.63 -0.40 0.00 1.01 0.00 0.00 58.87 60.15 3kp1 n SER 582 Cb 0.40 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 3kp1 n SER 582 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kp1 s LEU 583 N -4.35 4.55 -0.72 -3.43 1.43 -0.59 -5.00 118.68 110.59 3kp1 s LEU 583 Ca 0.06 2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 55.15 3kp1 s LEU 583 Cb 0.10 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.87 3kp1 s LEU 583 CO 0.44 -0.10 0.74 -0.69 0.23 0.00 0.00 176.35 176.97 3kp1 s VAL 584 N -0.89 5.23 -0.40 -1.59 1.01 -1.26 -5.02 120.40 117.48 3kp1 s VAL 584 Ca 0.45 -1.80 -0.09 0.00 0.00 0.00 0.00 61.98 60.54 3kp1 s VAL 584 Cb -0.30 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 31.66 3kp1 s VAL 584 CO 0.37 -1.07 0.22 -0.63 0.00 0.00 0.00 175.10 173.99 3kp1 s ILE 585 N 1.38 4.22 0.97 2.22 1.01 -1.26 -5.09 121.20 124.65 3kp1 s ILE 585 Ca 0.15 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 3kp1 s ILE 585 Cb -0.17 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 3kp1 s ILE 585 CO -0.03 -0.40 0.06 -2.65 0.00 0.00 0.00 174.94 171.92 3kp1 n PRO 586 N 4.91 -0.27 0.00 2.79 -0.02 -1.26 -5.30 135.00 135.85 3kp1 n PRO 586 Ca -0.11 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3kp1 n PRO 586 Cb 0.44 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3kp1 n PRO 586 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kp1 n PRO 587 N -0.62 0.00 0.00 0.52 -0.02 -1.26 -5.31 135.00 128.30 3kp1 n PRO 587 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3kp1 n PRO 587 Cb 0.55 -0.46 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 3kp1 n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kp1 n ILE 591 N -0.19 0.00 -2.71 4.25 5.41 -1.26 -5.34 119.36 119.53 3kp1 n ILE 591 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 3kp1 n ILE 591 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 3kp1 n ILE 591 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3kp1 s LEU 592 N 0.00 4.54 0.65 1.39 1.43 -1.26 -5.06 118.68 120.37 3kp1 s LEU 592 Ca 0.00 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 3kp1 s LEU 592 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 3kp1 s LEU 592 CO 0.00 -0.02 1.04 -0.94 0.23 0.00 0.00 176.35 176.66 3kp1 s SER 593 N -0.35 5.90 0.26 2.29 1.04 -1.26 -4.90 113.70 116.69 3kp1 s SER 593 Ca 0.46 1.51 -0.03 0.00 0.48 0.00 0.00 55.95 58.37 3kp1 s SER 593 Cb -0.25 -2.48 0.38 0.00 0.10 0.00 0.00 66.02 63.77 3kp1 s SER 593 CO 0.31 -1.09 1.89 1.05 0.98 0.00 0.00 173.24 176.38 3kp1 h GLU 594 N -0.42 1.17 -0.74 4.02 9.09 -1.99 -1.35 114.58 124.36 3kp1 h GLU 594 Ca -0.44 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 58.89 3kp1 h GLU 594 Cb 1.20 -0.26 -0.04 0.00 -1.65 0.00 0.00 28.75 28.00 3kp1 h GLU 594 CO 0.60 0.77 0.42 -0.44 0.05 0.00 0.00 179.01 180.42 3kp1 h ASP 595 N 1.20 0.92 -0.59 3.06 5.19 -1.99 -0.66 116.42 123.55 3kp1 h ASP 595 Ca 0.42 -0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.68 3kp1 h ASP 595 Cb 0.11 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 3kp1 h ASP 595 CO -0.16 0.73 0.10 -0.33 -3.12 0.00 0.00 179.24 176.47 3kp1 h GLU 596 N 1.02 0.97 -0.21 3.56 3.07 -1.73 -1.43 114.58 119.83 3kp1 h GLU 596 Ca 0.26 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3kp1 h GLU 596 Cb 0.01 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3kp1 h GLU 596 CO -0.05 0.91 0.07 0.82 -1.40 0.00 0.00 179.01 179.37 3kp1 h ILE 597 N 0.87 1.18 -0.90 3.13 2.04 -1.02 -1.62 117.51 121.17 3kp1 h ILE 597 Ca 0.18 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3kp1 h ILE 597 Cb 0.41 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3kp1 h ILE 597 CO 0.01 0.17 0.57 -0.09 0.00 0.00 0.00 178.15 178.81 3kp1 h ARG 598 N 0.17 1.21 -0.39 2.37 2.43 -1.00 -2.17 114.38 117.00 3kp1 h ARG 598 Ca 0.07 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 3kp1 h ARG 598 Cb 0.20 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3kp1 h ARG 598 CO -0.00 0.83 -0.33 0.93 -1.51 0.00 0.00 179.97 179.89 3kp1 h GLU 599 N 1.24 0.89 -0.83 0.20 5.08 -1.15 -0.26 114.58 119.75 3kp1 h GLU 599 Ca 0.33 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3kp1 h GLU 599 Cb -0.09 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3kp1 h GLU 599 CO -0.07 1.08 0.47 0.22 -1.00 0.00 0.00 179.01 179.72 3kp1 h ASP 600 N 0.74 1.01 0.61 1.42 1.82 -0.88 -1.82 116.42 119.33 3kp1 h ASP 600 Ca 0.08 -0.07 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 3kp1 h ASP 600 Cb 0.90 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 40.66 3kp1 h ASP 600 CO 0.08 0.80 -1.26 0.40 -1.61 0.00 0.00 179.24 177.65 3kp1 h ILE 601 N 1.15 1.48 -0.69 2.25 2.04 -1.18 -2.16 117.51 120.41 3kp1 h ILE 601 Ca 0.29 -3.04 -0.03 0.00 1.00 0.00 0.00 64.86 63.08 3kp1 h ILE 601 Cb -0.01 2.95 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3kp1 h ILE 601 CO -0.05 0.89 0.31 1.05 0.00 0.00 0.00 178.15 180.35 3kp1 h GLU 602 N 0.08 1.00 -0.07 2.37 4.11 -0.89 -2.73 114.58 118.45 3kp1 h GLU 602 Ca -0.14 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.10 3kp1 h GLU 602 Cb 1.99 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.06 3kp1 h GLU 602 CO 0.21 0.81 -0.05 0.87 0.07 0.00 0.00 179.01 180.92 3kp1 h LYS 603 N 0.96 0.16 -4.01 1.06 1.57 -1.39 -3.39 116.57 111.53 3kp1 h LYS 603 Ca 0.23 -0.08 -0.66 0.00 -1.87 0.00 0.00 60.65 58.28 3kp1 h LYS 603 Cb 0.16 -0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.07 3kp1 h LYS 603 CO -0.03 0.55 -0.64 0.99 -0.57 0.00 0.00 179.45 179.76 3kp1 s THR 604 N -4.47 2.59 0.55 -0.16 2.01 -0.81 -5.10 115.64 110.25 3kp1 s THR 604 Ca -0.15 -2.81 -0.19 0.00 0.31 0.00 0.00 61.69 58.85 3kp1 s THR 604 Cb 0.04 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.62 3kp1 s THR 604 CO 0.71 -0.72 0.53 -2.65 -0.69 0.00 0.00 174.62 171.80 3kp1 n PRO 605 N 3.70 0.53 -3.73 4.92 -0.02 -1.04 -4.45 135.00 134.92 3kp1 n PRO 605 Ca 0.04 0.21 -0.22 0.00 -2.02 0.00 0.00 63.50 61.51 3kp1 n PRO 605 Cb 0.37 -1.68 -0.18 0.00 -0.02 0.00 0.00 33.50 32.00 3kp1 n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kp1 s LEU 606 N 0.90 0.42 -0.08 2.45 2.96 -1.26 -5.06 118.68 119.00 3kp1 s LEU 606 Ca 0.68 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 3kp1 s LEU 606 Cb -0.46 -0.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 3kp1 s LEU 606 CO 0.55 -0.22 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.41 3kp1 s LYS 607 N 2.05 2.83 0.10 1.98 2.20 -1.26 -1.20 119.74 126.44 3kp1 s LYS 607 Ca 0.05 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 54.90 3kp1 s LYS 607 Cb -0.12 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 3kp1 s LYS 607 CO -0.04 0.34 -0.15 0.96 -0.36 0.00 0.00 175.35 176.10 3kp1 s ILE 608 N -0.04 1.28 -0.05 5.43 -5.25 0.03 -0.59 121.20 122.01 3kp1 s ILE 608 Ca -0.06 -1.57 0.03 0.00 -0.99 0.00 0.00 60.65 58.05 3kp1 s ILE 608 Cb -0.15 -1.39 -0.03 0.00 2.95 0.00 0.00 42.46 43.85 3kp1 s ILE 608 CO 0.05 -0.33 -0.11 0.68 -1.79 0.00 0.00 174.94 173.44 3kp1 s VAL 609 N -1.80 3.35 0.02 8.37 -7.23 -0.71 -0.40 120.40 122.01 3kp1 s VAL 609 Ca 0.05 -0.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 3kp1 s VAL 609 Cb -0.07 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 3kp1 s VAL 609 CO 0.03 0.57 -0.04 0.00 -0.31 0.00 0.00 175.10 175.35 3kp1 s ALA 610 N -0.79 0.25 0.02 1.32 0.00 0.09 -1.05 121.76 121.61 3kp1 s ALA 610 Ca 0.12 -0.44 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 3kp1 s ALA 610 Cb -0.11 0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.15 3kp1 s ALA 610 CO 0.02 -0.05 0.75 0.00 0.00 0.00 0.00 175.76 176.47 3kp1 s ALA 611 N -0.89 -1.74 -0.15 0.00 0.00 -0.88 -0.64 121.76 117.45 3kp1 s ALA 611 Ca -0.08 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.66 3kp1 s ALA 611 Cb -0.06 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3kp1 s ALA 611 CO -0.00 -0.59 0.58 0.99 0.00 0.00 0.00 175.76 176.74 3kp1 s THR 612 N -2.59 5.09 0.30 0.00 2.01 -0.52 -0.87 115.64 119.05 3kp1 s THR 612 Ca -0.01 1.12 0.07 0.00 0.31 0.00 0.00 61.69 63.18 3kp1 s THR 612 Cb -0.01 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 3kp1 s THR 612 CO -0.04 0.21 0.25 0.68 -0.69 0.00 0.00 174.62 175.03 3kp1 s VAL 613 N 1.27 3.96 0.00 3.82 -7.23 -0.89 -1.76 120.40 119.56 3kp1 s VAL 613 Ca 0.29 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 3kp1 s VAL 613 Cb -0.16 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.50 3kp1 s VAL 613 CO 0.12 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3kp1 n GLY 614 N -1.28 0.42 1.20 2.32 0.00 0.28 -3.42 105.19 104.71 3kp1 n GLY 614 Ca -0.05 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.15 3kp1 n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kp1 n GLU 615 N 10.00 3.47 -2.90 1.61 1.02 -1.26 -3.42 120.64 129.16 3kp1 n GLU 615 Ca 0.00 -2.78 -0.41 0.00 -0.02 0.00 0.00 57.16 53.95 3kp1 n GLU 615 Cb 0.00 -1.84 -0.04 0.00 -0.02 0.00 0.00 31.44 29.54 3kp1 n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kp1 s ASP 616 N -1.33 6.95 0.00 1.62 3.68 -1.22 -4.82 116.67 121.55 3kp1 s ASP 616 Ca 0.43 1.17 0.18 0.00 2.13 0.00 0.00 52.55 56.46 3kp1 s ASP 616 Cb 0.31 -2.45 0.39 0.00 -1.45 0.00 0.00 42.92 39.72 3kp1 s ASP 616 CO 0.15 -0.39 1.31 1.21 0.13 0.00 0.00 175.17 177.59 3kp1 n GLU 617 N 5.18 2.40 -2.40 4.34 4.07 -1.26 -1.24 120.64 131.74 3kp1 n GLU 617 Ca 0.04 -2.15 -0.43 0.00 -0.06 0.00 0.00 57.16 54.56 3kp1 n GLU 617 Cb 0.49 -1.41 -0.02 0.00 -0.06 0.00 0.00 31.44 30.44 3kp1 n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 3kp1 s HIS 618 N -1.16 2.47 -0.17 4.31 3.76 -1.26 -4.87 115.29 118.37 3kp1 s HIS 618 Ca 0.33 0.68 0.17 0.00 -0.15 0.00 0.00 55.06 56.09 3kp1 s HIS 618 Cb 0.18 -4.33 -0.24 0.00 1.11 0.00 0.00 32.58 29.31 3kp1 s HIS 618 CO 0.25 -1.85 0.09 -1.13 -0.85 0.00 0.00 174.74 171.24 3kp1 n SER 619 N 8.64 0.40 -0.03 1.40 3.41 -1.26 -4.72 113.62 121.45 3kp1 n SER 619 Ca 0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 3kp1 n SER 619 Cb 0.48 1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 65.43 3kp1 n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kp1 h VAL 620 N 0.00 0.73 -0.40 -3.33 2.07 -1.99 -2.86 116.25 110.47 3kp1 h VAL 620 Ca -0.47 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.12 3kp1 h VAL 620 Cb 2.07 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 3kp1 h VAL 620 CO 0.03 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.83 3kp1 h GLY 621 N -0.05 0.39 0.90 2.17 0.00 -1.99 0.11 103.07 104.60 3kp1 h GLY 621 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3kp1 h GLY 621 CO -0.23 -0.11 -0.10 -2.00 0.00 0.00 0.00 176.54 174.11 3kp1 h LEU 622 N 0.09 -0.24 -2.02 3.11 5.85 -1.87 -2.87 115.31 117.37 3kp1 h LEU 622 Ca 0.20 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.94 3kp1 h LEU 622 Cb 0.28 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3kp1 h LEU 622 CO -0.34 -0.08 0.23 0.03 -0.34 0.00 0.00 178.44 177.94 3kp1 h ARG 623 N -0.38 0.00 0.00 1.25 3.08 -1.21 -1.47 114.38 115.65 3kp1 h ARG 623 Ca -0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3kp1 h ARG 623 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3kp1 h ARG 623 CO 0.05 0.00 -0.36 1.49 -1.07 0.00 0.00 179.97 180.08 3kp1 h GLU 624 N 0.00 0.00 -0.58 0.04 4.57 -0.56 0.29 114.58 118.34 3kp1 h GLU 624 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3kp1 h GLU 624 Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3kp1 h GLU 624 CO -0.00 0.36 0.00 1.33 -1.18 0.00 0.00 179.01 179.51 3kp1 n VAL 625 N -3.75 0.77 -0.03 0.32 0.24 -0.57 -4.23 118.33 111.09 3kp1 n VAL 625 Ca -0.01 -0.82 -0.07 0.00 -2.04 0.00 0.00 64.34 61.40 3kp1 n VAL 625 Cb 0.44 0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 33.32 3kp1 n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kp1 n ILE 626 N 1.36 0.52 -1.73 1.34 5.41 -0.80 -0.97 119.36 124.50 3kp1 n ILE 626 Ca 0.21 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.51 3kp1 n ILE 626 Cb 0.55 -1.62 -0.00 0.00 -0.71 0.00 0.00 39.64 37.85 3kp1 n ILE 626 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kp1 n ASP 627 N -3.37 3.17 0.24 4.38 8.00 0.94 -1.75 116.55 128.16 3kp1 n ASP 627 Ca -0.12 1.20 0.10 0.00 0.71 0.00 0.00 54.79 56.68 3kp1 n ASP 627 Cb 0.53 -1.54 0.62 0.00 -0.02 0.00 0.00 41.12 40.70 3kp1 n ASP 627 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kp1 h ILE 628 N 2.65 0.78 -0.51 0.53 2.10 -1.89 0.16 117.51 121.32 3kp1 h ILE 628 Ca -0.48 -0.68 0.07 0.00 1.08 0.00 0.00 64.86 64.85 3kp1 h ILE 628 Cb 1.27 1.41 -0.10 0.00 -1.09 0.00 0.00 36.82 38.31 3kp1 h ILE 628 CO 0.63 0.17 -0.49 0.50 -1.08 0.00 0.00 178.15 177.88 3kp1 h LYS 629 N 0.00 -0.28 -0.84 2.19 1.63 -1.93 -1.83 116.57 115.51 3kp1 h LYS 629 Ca -0.00 0.02 -0.52 0.00 -0.85 0.00 0.00 60.65 59.29 3kp1 h LYS 629 Cb 0.39 0.06 -0.28 0.00 -0.60 0.00 0.00 32.23 31.81 3kp1 h LYS 629 CO 0.02 -0.19 0.38 0.72 -3.45 0.00 0.00 179.45 176.94 3kp1 n HIS 630 N -5.39 2.71 -1.93 1.91 8.25 -1.25 -4.90 115.22 114.62 3kp1 n HIS 630 Ca -0.01 -2.34 0.00 0.00 -0.26 0.00 0.00 57.72 55.12 3kp1 n HIS 630 Cb 0.34 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.48 3kp1 n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kp1 n GLY 631 N -0.99 0.63 3.70 -1.41 0.00 -0.69 -4.67 105.19 101.77 3kp1 n GLY 631 Ca 0.54 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3kp1 n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kp1 s GLY 632 N -2.91 1.58 0.39 -0.02 0.00 0.57 -2.69 107.32 104.23 3kp1 s GLY 632 Ca 0.00 -0.34 0.28 0.00 0.00 0.00 0.00 44.72 44.66 3kp1 s GLY 632 CO 0.00 0.24 1.84 0.16 0.00 0.00 0.00 173.10 175.35 3kp1 h ILE 633 N -1.77 0.00 -1.01 0.90 3.07 -0.87 -0.44 117.51 117.40 3kp1 h ILE 633 Ca -0.53 -0.17 0.23 0.00 1.55 0.00 0.00 64.86 65.94 3kp1 h ILE 633 Cb 1.32 0.91 -0.10 0.00 -0.27 0.00 0.00 36.82 38.68 3kp1 h ILE 633 CO 0.58 0.00 0.63 -0.08 -1.05 0.00 0.00 178.15 178.23 3kp1 h GLU 634 N 0.00 0.53 -0.51 0.16 4.81 -1.60 -1.49 114.58 116.48 3kp1 h GLU 634 Ca 0.00 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.35 3kp1 h GLU 634 Cb 0.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3kp1 h GLU 634 CO 0.00 0.35 0.44 -0.22 -0.73 0.00 0.00 179.01 178.86 3kp1 h LYS 635 N 0.55 0.00 -0.12 1.92 3.64 -1.30 -1.50 116.57 119.76 3kp1 h LYS 635 Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 3kp1 h LYS 635 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3kp1 h LYS 635 CO -0.36 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.48 3kp1 n TYR 636 N -4.01 0.13 -0.51 1.91 4.01 -0.56 -4.97 117.16 113.16 3kp1 n TYR 636 Ca 0.10 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3kp1 n TYR 636 Cb 0.65 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 3kp1 n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kp1 n GLY 637 N 1.14 0.73 3.75 2.72 0.00 -0.56 -4.68 105.19 108.28 3kp1 n GLY 637 Ca 0.13 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3kp1 n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp1 s VAL 638 N -2.00 2.44 -0.30 1.61 1.01 -1.22 -4.76 120.40 117.19 3kp1 s VAL 638 Ca 0.00 0.38 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 3kp1 s VAL 638 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3kp1 s VAL 638 CO 0.00 0.06 0.82 -0.70 0.00 0.00 0.00 175.10 175.29 3kp1 s GLU 639 N -0.61 4.01 -0.21 2.72 2.12 -0.34 -4.64 118.70 121.75 3kp1 s GLU 639 Ca 0.59 0.69 -0.04 0.00 0.36 0.00 0.00 54.97 56.57 3kp1 s GLU 639 Cb -0.44 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.22 3kp1 s GLU 639 CO 0.47 -0.68 -0.02 0.08 -0.54 0.00 0.00 175.26 174.57 3kp1 s VAL 640 N 3.00 3.68 -0.42 3.70 1.01 -1.26 -0.79 120.40 129.32 3kp1 s VAL 640 Ca 0.34 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 3kp1 s VAL 640 Cb -0.14 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.62 3kp1 s VAL 640 CO 0.12 0.42 0.28 -1.00 0.00 0.00 0.00 175.10 174.92 3kp1 s HIS 641 N 1.26 3.27 -0.29 5.22 3.76 0.47 -4.98 115.29 124.00 3kp1 s HIS 641 Ca 0.03 -1.06 -0.10 0.00 -0.15 0.00 0.00 55.06 53.78 3kp1 s HIS 641 Cb -0.14 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 3kp1 s HIS 641 CO -0.00 -0.74 0.17 -0.47 -0.85 0.00 0.00 174.74 172.85 3kp1 s TYR 642 N 1.56 3.19 -1.60 1.40 5.04 -1.26 -0.73 117.35 124.95 3kp1 s TYR 642 Ca 0.03 -0.09 0.26 0.00 -2.44 0.00 0.00 57.07 54.83 3kp1 s TYR 642 Cb -0.22 -2.36 0.71 0.00 0.35 0.00 0.00 41.96 40.44 3kp1 s TYR 642 CO 0.06 -0.25 1.54 1.28 -1.34 0.00 0.00 175.55 176.84 3kp1 n LEU 643 N 5.03 0.91 0.00 6.97 4.77 0.18 -4.95 117.00 129.91 3kp1 n LEU 643 Ca -0.14 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3kp1 n LEU 643 Cb 0.51 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3kp1 n LEU 643 CO 0.33 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3kp1 n GLY 644 N 1.37 0.13 3.50 -0.72 0.00 -1.26 -4.95 105.19 103.26 3kp1 n GLY 644 Ca 0.11 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 3kp1 n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kp1 s THR 645 N 0.00 1.52 -1.60 2.61 -4.23 -1.26 -1.44 115.64 111.24 3kp1 s THR 645 Ca 0.00 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 3kp1 s THR 645 Cb 0.00 -2.79 0.11 0.00 1.34 0.00 0.00 72.50 71.16 3kp1 s THR 645 CO 0.00 -0.06 0.92 -1.20 -0.54 0.00 0.00 174.62 173.74 3kp1 n SER 646 N -0.75 -4.33 -4.64 3.99 7.64 -0.37 -4.92 113.62 110.24 3kp1 n SER 646 Ca -0.04 -0.86 -0.40 0.00 1.01 0.00 0.00 58.87 58.58 3kp1 n SER 646 Cb 0.66 -3.48 -0.06 0.00 -1.01 0.00 0.00 64.21 60.32 3kp1 n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kp1 s VAL 647 N -3.29 5.01 0.35 0.44 1.01 -0.73 -4.61 120.40 118.59 3kp1 s VAL 647 Ca 0.70 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 3kp1 s VAL 647 Cb -0.36 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 3kp1 s VAL 647 CO 0.86 0.07 1.49 -2.65 0.00 0.00 0.00 175.10 174.88 3kp1 n PRO 648 N 5.43 2.61 -0.22 2.72 -0.02 -1.26 -0.55 135.00 143.71 3kp1 n PRO 648 Ca -0.01 0.92 0.23 0.00 -2.02 0.00 0.00 63.50 62.61 3kp1 n PRO 648 Cb 0.49 -2.65 0.59 0.00 -0.02 0.00 0.00 33.50 31.92 3kp1 n PRO 648 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kp1 h VAL 649 N 3.01 0.63 0.00 -1.45 2.07 -1.95 0.27 116.25 118.83 3kp1 h VAL 649 Ca -0.49 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.80 3kp1 h VAL 649 Cb 1.24 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kp1 h VAL 649 CO 0.68 0.05 -0.69 -0.08 0.02 0.00 0.00 177.57 177.55 3kp1 h GLU 650 N 0.25 0.00 -0.52 1.57 4.81 -1.95 -2.50 114.58 116.24 3kp1 h GLU 650 Ca 0.45 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.62 3kp1 h GLU 650 Cb 1.37 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 3kp1 h GLU 650 CO -0.12 0.69 0.08 0.87 -0.73 0.00 0.00 179.01 179.80 3kp1 h LYS 651 N 0.00 0.86 -0.09 1.92 6.56 -1.31 -0.26 116.57 124.25 3kp1 h LYS 651 Ca -0.01 -0.23 -0.00 0.00 -1.06 0.00 0.00 60.65 59.35 3kp1 h LYS 651 Cb 1.30 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.85 3kp1 h LYS 651 CO 0.09 0.84 0.04 1.25 -2.06 0.00 0.00 179.45 179.62 3kp1 h LEU 652 N 0.74 0.11 -0.70 2.94 5.85 -1.33 -0.36 115.31 122.56 3kp1 h LEU 652 Ca 0.16 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3kp1 h LEU 652 Cb 0.40 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3kp1 h LEU 652 CO 0.01 0.19 0.17 0.58 -0.34 0.00 0.00 178.44 179.05 3kp1 h VAL 653 N 0.03 1.26 -0.85 1.05 2.07 -1.40 -2.04 116.25 116.37 3kp1 h VAL 653 Ca 0.03 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3kp1 h VAL 653 Cb 0.10 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3kp1 h VAL 653 CO -0.00 0.37 0.41 0.44 0.02 0.00 0.00 177.57 178.81 3kp1 h ASP 654 N 1.06 1.11 -0.69 0.57 3.32 -0.88 -2.36 116.42 118.55 3kp1 h ASP 654 Ca 0.22 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3kp1 h ASP 654 Cb 0.37 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3kp1 h ASP 654 CO 0.00 0.93 0.25 0.00 -1.72 0.00 0.00 179.24 178.70 3kp1 h ALA 655 N 1.23 0.89 -0.60 3.45 0.00 -0.77 -1.34 119.26 122.12 3kp1 h ALA 655 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kp1 h ALA 655 Cb 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kp1 h ALA 655 CO -0.04 0.54 0.38 0.00 0.00 0.00 0.00 179.25 180.14 3kp1 h ALA 656 N 1.11 0.76 0.15 0.00 0.00 -0.93 0.41 119.26 120.76 3kp1 h ALA 656 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kp1 h ALA 656 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kp1 h ALA 656 CO -0.01 0.21 -0.07 0.82 0.00 0.00 0.00 179.25 180.20 3kp1 h ILE 657 N 0.81 0.94 -0.84 0.00 2.04 -1.35 0.37 117.51 119.48 3kp1 h ILE 657 Ca 0.22 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3kp1 h ILE 657 Cb -0.07 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3kp1 h ILE 657 CO -0.04 0.09 0.44 -0.08 0.00 0.00 0.00 178.15 178.56 3kp1 h GLU 658 N -0.40 1.18 -0.06 2.37 4.81 -0.89 -2.47 114.58 119.12 3kp1 h GLU 658 Ca -0.02 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3kp1 h GLU 658 Cb 0.31 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3kp1 h GLU 658 CO 0.03 0.87 0.00 1.28 -0.73 0.00 0.00 179.01 180.47 3kp1 n LEU 659 N -4.33 1.70 -3.10 1.64 4.77 0.14 -4.94 117.00 112.88 3kp1 n LEU 659 Ca 0.09 -0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 55.24 3kp1 n LEU 659 Cb 0.11 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3kp1 n LEU 659 CO 0.39 0.30 0.07 2.29 -1.33 0.00 0.00 177.39 179.12 3kp1 n LYS 660 N 0.33 -5.69 -1.85 3.23 2.85 -0.61 -4.94 118.16 111.48 3kp1 n LYS 660 Ca 0.18 0.86 -0.40 0.00 -1.05 0.00 0.00 58.31 57.90 3kp1 n LYS 660 Cb 0.37 -5.72 0.00 0.00 -0.65 0.00 0.00 35.03 29.04 3kp1 n LYS 660 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kp1 s ALA 661 N -3.21 3.40 -0.09 0.58 0.00 0.02 -4.94 121.76 117.53 3kp1 s ALA 661 Ca 0.38 1.48 0.14 0.00 0.00 0.00 0.00 51.96 53.95 3kp1 s ALA 661 Cb -0.17 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.42 3kp1 s ALA 661 CO 0.47 -1.06 1.43 -0.44 0.00 0.00 0.00 175.76 176.16 3kp1 h ASP 662 N 2.72 0.00 -5.06 0.00 3.32 -1.19 -3.48 116.42 112.74 3kp1 h ASP 662 Ca -0.51 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 3kp1 h ASP 662 Cb 1.25 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 3kp1 h ASP 662 CO 0.63 0.59 -0.42 0.00 -1.72 0.00 0.00 179.24 178.31 3kp1 s ALA 663 N -2.95 -0.31 -0.13 3.45 0.00 -1.11 -2.01 121.76 118.70 3kp1 s ALA 663 Ca 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3kp1 s ALA 663 Cb 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3kp1 s ALA 663 CO 0.76 -0.34 -0.08 0.42 0.00 0.00 0.00 175.76 176.52 3kp1 s ILE 664 N -2.46 3.54 -0.14 0.00 1.01 0.11 -1.74 121.20 121.51 3kp1 s ILE 664 Ca -0.06 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3kp1 s ILE 664 Cb -0.02 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.96 3kp1 s ILE 664 CO -0.03 0.52 -0.19 -0.76 0.00 0.00 0.00 174.94 174.48 3kp1 s LEU 665 N 0.16 1.96 0.02 2.97 1.43 -0.21 -1.21 118.68 123.79 3kp1 s LEU 665 Ca -0.04 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 3kp1 s LEU 665 Cb -0.14 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 3kp1 s LEU 665 CO 0.04 0.02 -0.18 0.00 0.23 0.00 0.00 176.35 176.46 3kp1 s ALA 666 N 1.08 1.50 -0.11 4.21 0.00 -0.52 -2.08 121.76 125.84 3kp1 s ALA 666 Ca -0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3kp1 s ALA 666 Cb -0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3kp1 s ALA 666 CO -0.06 0.34 -0.02 0.45 0.00 0.00 0.00 175.76 176.47 3kp1 s SER 667 N -0.85 4.97 -0.26 0.00 0.15 -0.05 -1.71 113.70 115.95 3kp1 s SER 667 Ca 0.06 0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 3kp1 s SER 667 Cb -0.08 -1.55 0.08 0.00 -1.71 0.00 0.00 66.02 62.76 3kp1 s SER 667 CO 0.01 0.29 0.06 0.42 1.20 0.00 0.00 173.24 175.21 3kp1 s THR 668 N -0.33 0.77 -0.23 6.45 -4.23 -0.27 -2.10 115.64 115.69 3kp1 s THR 668 Ca 0.06 -1.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.37 3kp1 s THR 668 Cb -0.12 -1.41 -0.13 0.00 1.34 0.00 0.00 72.50 72.18 3kp1 s THR 668 CO 0.02 -0.45 -0.15 -0.38 -0.54 0.00 0.00 174.62 173.13 3kp1 n ILE 669 N 4.92 1.52 -1.80 2.99 2.08 -1.26 -4.19 119.36 123.62 3kp1 n ILE 669 Ca -0.06 -0.15 -0.42 0.00 0.56 0.00 0.00 62.75 62.68 3kp1 n ILE 669 Cb 0.44 -2.03 -0.02 0.00 -0.75 0.00 0.00 39.64 37.28 3kp1 n ILE 669 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3kp1 s ILE 670 N -2.48 2.14 0.00 1.39 1.01 -1.26 -4.63 121.20 117.38 3kp1 s ILE 670 Ca -0.32 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3kp1 s ILE 670 Cb 0.10 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3kp1 s ILE 670 CO 0.50 0.02 0.42 -1.54 0.00 0.00 0.00 174.94 174.33 3kp1 n SER 671 N 2.59 0.72 -4.66 3.58 3.41 -1.26 -4.06 113.62 113.95 3kp1 n SER 671 Ca 0.10 -1.15 -0.51 0.00 -0.26 0.00 0.00 58.87 57.05 3kp1 n SER 671 Cb 0.37 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 3kp1 n SER 671 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kp1 n HIS 672 N -0.07 2.00 -1.70 7.33 -0.00 -1.26 -1.00 115.22 120.52 3kp1 n HIS 672 Ca 0.00 0.38 -0.15 0.00 -0.00 0.00 0.00 57.72 57.96 3kp1 n HIS 672 Cb 0.17 -2.49 -0.05 0.00 -0.00 0.00 0.00 29.99 27.63 3kp1 n HIS 672 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3kp1 n ASP 673 N 4.22 -4.67 -2.20 0.26 2.03 -1.26 -2.48 116.55 112.45 3kp1 n ASP 673 Ca 0.21 0.24 -0.21 0.00 0.52 0.00 0.00 54.79 55.55 3kp1 n ASP 673 Cb 0.22 -3.58 -0.03 0.00 -0.72 0.00 0.00 41.12 37.02 3kp1 n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3kp1 n ASP 674 N -0.51 -5.80 0.18 1.67 8.00 -0.17 -4.86 116.55 115.07 3kp1 n ASP 674 Ca -0.16 0.09 0.18 0.00 0.71 0.00 0.00 54.79 55.62 3kp1 n ASP 674 Cb 0.53 -4.88 0.81 0.00 -0.02 0.00 0.00 41.12 37.57 3kp1 n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kp1 h ILE 675 N 0.00 0.45 -0.00 0.53 6.09 -1.59 -1.05 117.51 121.93 3kp1 h ILE 675 Ca -0.48 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.01 3kp1 h ILE 675 Cb 1.36 0.80 -0.00 0.00 0.47 0.00 0.00 36.82 39.45 3kp1 h ILE 675 CO 0.59 0.00 -0.00 1.12 -3.07 0.00 0.00 178.15 176.79 3kp1 h HIS 676 N 0.00 0.01 -0.62 2.19 2.07 -1.82 -0.67 115.15 116.30 3kp1 h HIS 676 Ca 0.11 -0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.54 3kp1 h HIS 676 Cb 0.60 -0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.56 3kp1 h HIS 676 CO 0.00 0.46 0.06 1.88 -3.07 0.00 0.00 177.93 177.26 3kp1 h TYR 677 N -0.45 1.14 -0.97 6.12 0.05 -1.84 -2.76 116.97 118.27 3kp1 h TYR 677 Ca 0.00 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 58.64 3kp1 h TYR 677 Cb 0.46 -0.31 -0.06 0.00 1.01 0.00 0.00 36.73 37.84 3kp1 h TYR 677 CO 0.08 0.98 0.63 0.87 -1.05 0.00 0.00 178.16 179.68 3kp1 h LYS 678 N 0.97 1.19 -0.02 4.88 1.57 -1.18 -1.56 116.57 122.43 3kp1 h LYS 678 Ca 0.18 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 3kp1 h LYS 678 Cb 0.49 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3kp1 h LYS 678 CO 0.02 0.79 -0.49 -0.91 -0.57 0.00 0.00 179.45 178.29 3kp1 h ASN 679 N 1.22 0.04 -0.18 0.86 2.35 -1.01 -1.91 115.58 116.96 3kp1 h ASN 679 Ca 0.38 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.08 3kp1 h ASN 679 Cb -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3kp1 h ASN 679 CO -0.12 0.53 -0.01 0.24 -1.65 0.00 0.00 177.43 176.41 3kp1 h MET 680 N 0.03 0.33 -0.51 0.81 2.86 -1.15 -1.80 114.93 115.50 3kp1 h MET 680 Ca -0.00 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.62 3kp1 h MET 680 Cb 0.88 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.44 3kp1 h MET 680 CO 0.07 0.56 0.09 -0.22 1.06 0.00 0.00 176.91 178.46 3kp1 h LYS 681 N 0.06 0.22 -0.54 1.72 1.63 -1.19 -1.69 116.57 116.79 3kp1 h LYS 681 Ca 0.05 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3kp1 h LYS 681 Cb 0.42 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 3kp1 h LYS 681 CO 0.01 0.14 0.16 0.00 -3.45 0.00 0.00 179.45 176.32 3kp1 h ARG 682 N 0.23 0.80 0.09 1.90 2.47 -1.22 -0.31 114.38 118.34 3kp1 h ARG 682 Ca 0.26 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3kp1 h ARG 682 Cb 0.36 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3kp1 h ARG 682 CO -0.35 0.70 -0.04 0.82 0.56 0.00 0.00 179.97 181.66 3kp1 h ILE 683 N 0.78 0.98 -0.02 2.04 2.04 -0.84 -0.88 117.51 121.61 3kp1 h ILE 683 Ca 0.18 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3kp1 h ILE 683 Cb 0.24 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3kp1 h ILE 683 CO -0.01 0.06 -0.25 -0.74 0.00 0.00 0.00 178.15 177.22 3kp1 h HIS 684 N -0.24 -0.68 -0.74 1.37 2.76 -0.90 -1.48 115.15 115.25 3kp1 h HIS 684 Ca -0.01 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 3kp1 h HIS 684 Cb 0.20 0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 3kp1 h HIS 684 CO -0.03 -0.34 0.44 0.93 -1.30 0.00 0.00 177.93 177.62 3kp1 h GLU 685 N -0.38 0.80 -0.26 5.26 5.08 -1.02 -0.93 114.58 123.13 3kp1 h GLU 685 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3kp1 h GLU 685 Cb 0.47 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3kp1 h GLU 685 CO -0.24 0.53 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.14 3kp1 h LEU 686 N 0.82 0.40 -0.03 1.33 3.38 -0.93 0.62 115.31 120.89 3kp1 h LEU 686 Ca 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3kp1 h LEU 686 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kp1 h LEU 686 CO -0.16 0.53 -0.02 0.00 0.09 0.00 0.00 178.44 178.88 3kp1 h ALA 687 N 1.52 0.05 -0.29 1.53 0.00 -0.44 -1.88 119.26 119.74 3kp1 h ALA 687 Ca 0.08 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3kp1 h ALA 687 Cb 0.40 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3kp1 h ALA 687 CO 0.02 -0.20 -0.02 0.28 0.00 0.00 0.00 179.25 179.33 3kp1 h VAL 688 N -0.35 0.76 -0.23 0.00 2.07 -1.05 -1.81 116.25 115.64 3kp1 h VAL 688 Ca 0.01 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3kp1 h VAL 688 Cb 0.49 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3kp1 h VAL 688 CO 0.01 0.01 0.16 -0.08 0.02 0.00 0.00 177.57 177.68 3kp1 h GLU 689 N 0.06 0.12 -0.21 1.57 4.81 -0.80 -0.64 114.58 119.49 3kp1 h GLU 689 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kp1 h GLU 689 Cb 0.20 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3kp1 h GLU 689 CO -0.26 0.08 0.00 1.63 -0.73 0.00 0.00 179.01 179.73 3kp1 n LYS 690 N -4.49 2.22 -1.62 1.92 5.02 -0.71 -4.96 118.16 115.54 3kp1 n LYS 690 Ca 0.02 -1.82 -0.05 0.00 -2.02 0.00 0.00 58.31 54.43 3kp1 n LYS 690 Cb 0.22 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 3kp1 n LYS 690 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kp1 n GLY 691 N 1.36 0.48 0.08 0.72 0.00 -0.25 -4.90 105.19 102.67 3kp1 n GLY 691 Ca 0.17 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.47 3kp1 n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kp1 n ILE 692 N -3.41 0.00 0.02 -0.61 -5.35 -0.86 -4.77 119.36 104.38 3kp1 n ILE 692 Ca -0.06 -0.48 0.15 0.00 -0.27 0.00 0.00 62.75 62.09 3kp1 n ILE 692 Cb 0.36 1.04 0.61 0.00 -1.74 0.00 0.00 39.64 39.91 3kp1 n ILE 692 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3kp1 h ARG 693 N 0.37 0.16 0.00 6.28 9.65 -1.82 -0.88 114.38 128.14 3kp1 h ARG 693 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3kp1 h ARG 693 Cb 0.10 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3kp1 h ARG 693 CO 0.00 0.10 -0.02 0.38 2.80 0.00 0.00 179.97 183.23 3kp1 h ASP 694 N 0.16 0.00 -0.27 -3.80 2.03 -1.90 -3.29 116.42 109.34 3kp1 h ASP 694 Ca 0.21 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 3kp1 h ASP 694 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 3kp1 h ASP 694 CO -0.03 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.47 3kp1 n LYS 695 N -2.47 2.85 -4.10 4.15 5.02 -0.35 -5.01 118.16 118.25 3kp1 n LYS 695 Ca 0.05 -2.19 -0.15 0.00 -2.02 0.00 0.00 58.31 54.00 3kp1 n LYS 695 Cb 0.46 -1.38 -0.12 0.00 -0.02 0.00 0.00 35.03 33.97 3kp1 n LYS 695 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kp1 s ILE 696 N -1.49 0.69 -0.04 -0.18 2.07 -1.14 -4.91 121.20 116.20 3kp1 s ILE 696 Ca 0.25 -1.11 -0.03 0.00 -1.41 0.00 0.00 60.65 58.35 3kp1 s ILE 696 Cb 0.16 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.99 3kp1 s ILE 696 CO 0.12 -0.32 0.13 -0.04 -1.91 0.00 0.00 174.94 172.92 3kp1 s MET 697 N -1.57 3.30 -0.17 3.50 -1.94 -0.85 -4.94 119.30 116.64 3kp1 s MET 697 Ca -0.07 -0.33 -0.02 0.00 -1.71 0.00 0.00 55.69 53.56 3kp1 s MET 697 Cb -0.10 -3.03 0.05 0.00 2.01 0.00 0.00 34.83 33.76 3kp1 s MET 697 CO 0.01 0.69 0.01 0.42 -0.01 0.00 0.00 175.02 176.14 3kp1 s ILE 698 N -1.19 0.64 -0.08 2.53 1.01 -1.26 0.05 121.20 122.89 3kp1 s ILE 698 Ca 0.22 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.44 3kp1 s ILE 698 Cb -0.12 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 3kp1 s ILE 698 CO 0.13 -0.05 -0.17 -0.83 0.00 0.00 0.00 174.94 174.02 3kp1 s GLY 699 N 1.82 1.48 -0.00 6.18 0.00 -0.35 -1.25 107.32 115.19 3kp1 s GLY 699 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 43.80 3kp1 s GLY 699 CO -0.07 -0.55 -0.14 0.00 0.00 0.00 0.00 173.10 172.34 3kp1 s GLY 701 N -0.49 0.71 0.00 0.00 0.00 -0.70 -0.66 107.32 106.18 3kp1 s GLY 701 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.56 3kp1 s GLY 701 CO -0.00 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.54 3kp1 n GLY 702 N -0.10 2.54 0.31 0.20 0.00 -0.46 -1.12 105.19 106.56 3kp1 n GLY 702 Ca -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3kp1 n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kp1 h THR 703 N 0.86 1.02 -0.52 2.61 2.02 -1.82 -1.68 112.91 115.40 3kp1 h THR 703 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kp1 h THR 703 Cb 0.00 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3kp1 h THR 703 CO 0.00 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.05 3kp1 n GLN 704 N -4.66 3.61 -2.95 6.66 1.13 -1.26 -4.11 117.38 115.79 3kp1 n GLN 704 Ca 0.12 -2.46 -0.42 0.00 -1.94 0.00 0.00 57.00 52.30 3kp1 n GLN 704 Cb 0.18 -1.91 -0.05 0.00 0.11 0.00 0.00 30.24 28.57 3kp1 n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kp1 s VAL 705 N -2.02 4.84 -0.25 5.09 1.01 -0.63 -5.02 120.40 123.41 3kp1 s VAL 705 Ca 0.44 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.53 3kp1 s VAL 705 Cb 0.30 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3kp1 s VAL 705 CO 0.18 -0.15 0.58 -0.89 0.00 0.00 0.00 175.10 174.82 3kp1 s THR 706 N 2.85 5.03 0.25 3.92 2.01 -1.26 -3.71 115.64 124.73 3kp1 s THR 706 Ca 0.32 1.02 -0.07 0.00 0.31 0.00 0.00 61.69 63.27 3kp1 s THR 706 Cb -0.15 -3.89 0.31 0.00 0.01 0.00 0.00 72.50 68.79 3kp1 s THR 706 CO 0.10 0.06 1.62 -0.65 -0.69 0.00 0.00 174.62 175.06 3kp1 h PRO 707 N 7.90 0.06 -0.81 4.92 0.11 -1.93 -1.26 132.00 141.00 3kp1 h PRO 707 Ca -0.28 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3kp1 h PRO 707 Cb 1.13 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3kp1 h PRO 707 CO 0.75 0.04 0.34 0.93 -0.21 0.00 0.00 178.00 179.85 3kp1 h GLU 708 N 0.06 1.19 -0.12 1.05 3.07 -1.93 -2.06 114.58 115.84 3kp1 h GLU 708 Ca 0.43 -0.20 -0.16 0.00 -0.50 0.00 0.00 59.36 58.92 3kp1 h GLU 708 Cb 0.75 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3kp1 h GLU 708 CO -0.74 0.95 -0.61 0.28 -1.40 0.00 0.00 179.01 177.48 3kp1 h VAL 709 N 1.16 1.35 -0.28 3.13 2.07 -1.72 -2.83 116.25 119.14 3kp1 h VAL 709 Ca 0.27 -1.94 0.03 0.00 0.82 0.00 0.00 66.70 65.88 3kp1 h VAL 709 Cb 0.18 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3kp1 h VAL 709 CO -0.03 0.59 0.10 0.00 0.02 0.00 0.00 177.57 178.25 3kp1 h ALA 710 N 1.03 0.32 -0.50 1.67 0.00 -0.89 -2.59 119.26 118.31 3kp1 h ALA 710 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kp1 h ALA 710 Cb 1.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3kp1 h ALA 710 CO 0.11 -0.30 0.21 0.28 0.00 0.00 0.00 179.25 179.54 3kp1 h VAL 711 N 0.23 1.18 0.00 0.00 2.07 -1.32 -1.22 116.25 117.18 3kp1 h VAL 711 Ca 0.12 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3kp1 h VAL 711 Cb 0.09 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3kp1 h VAL 711 CO -0.13 0.22 -0.01 0.11 0.02 0.00 0.00 177.57 177.79 3kp1 h LYS 712 N 0.71 0.00 0.00 1.57 1.57 -1.21 -0.30 116.57 118.90 3kp1 h LYS 712 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kp1 h LYS 712 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kp1 h LYS 712 CO -0.02 0.01 0.00 1.04 -0.57 0.00 0.00 179.45 179.91 3kp1 n GLN 713 N -3.12 0.03 0.00 3.15 1.13 -0.46 -4.88 117.38 113.23 3kp1 n GLN 713 Ca -0.01 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3kp1 n GLN 713 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3kp1 n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kp1 n GLY 714 N 0.55 0.72 3.89 1.08 0.00 -0.13 -4.22 105.19 107.09 3kp1 n GLY 714 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3kp1 n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kp1 s VAL 715 N -2.00 3.42 0.14 1.61 -7.23 -1.24 -4.92 120.40 110.16 3kp1 s VAL 715 Ca 0.00 0.31 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 3kp1 s VAL 715 Cb 0.00 -3.43 -0.19 0.00 0.56 0.00 0.00 36.38 33.32 3kp1 s VAL 715 CO 0.00 -0.54 1.30 0.44 -0.31 0.00 0.00 175.10 176.00 3kp1 h ASP 716 N -0.55 0.26 -4.69 4.85 3.32 -1.52 -3.40 116.42 114.70 3kp1 h ASP 716 Ca -0.45 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.29 3kp1 h ASP 716 Cb 1.26 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 3kp1 h ASP 716 CO 0.63 1.10 0.06 0.00 -1.72 0.00 0.00 179.24 179.31 3kp1 s ALA 717 N -3.00 -1.54 0.07 3.45 0.00 -1.12 -4.93 121.76 114.68 3kp1 s ALA 717 Ca -0.03 1.29 0.08 0.00 0.00 0.00 0.00 51.96 53.31 3kp1 s ALA 717 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3kp1 s ALA 717 CO 0.84 -0.33 -0.20 0.20 0.00 0.00 0.00 175.76 176.27 3kp1 s GLY 718 N -0.76 1.59 -0.06 0.00 0.00 -1.26 -1.53 107.32 105.29 3kp1 s GLY 718 Ca -0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 3kp1 s GLY 718 CO 0.06 -1.20 -0.01 -1.36 0.00 0.00 0.00 173.10 170.60 3kp1 s PHE 719 N -0.98 0.66 0.00 1.90 0.08 0.17 -4.46 117.98 115.34 3kp1 s PHE 719 Ca 0.15 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.04 3kp1 s PHE 719 Cb -0.10 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 3kp1 s PHE 719 CO 0.06 -0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 3kp1 n GLY 720 N 4.83 3.55 3.54 4.36 0.00 -1.24 -1.36 105.19 118.87 3kp1 n GLY 720 Ca -0.12 -1.91 -0.52 0.00 0.00 0.00 0.00 46.02 43.47 3kp1 n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kp1 n ARG 721 N 0.00 0.71 -1.02 1.61 1.74 -1.26 -2.30 116.66 116.15 3kp1 n ARG 721 Ca 0.00 0.26 -0.01 0.00 -0.77 0.00 0.00 57.85 57.33 3kp1 n ARG 721 Cb 0.00 -1.73 -0.00 0.00 -1.02 0.00 0.00 32.46 29.70 3kp1 n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kp1 n GLY 722 N 1.99 0.48 3.76 -0.13 0.00 -1.26 -5.01 105.19 105.02 3kp1 n GLY 722 Ca 0.17 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 3kp1 n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kp1 s SER 723 N -2.37 5.37 0.19 1.61 0.01 -0.97 -5.04 113.70 112.50 3kp1 s SER 723 Ca 0.00 2.37 0.03 0.00 1.31 0.00 0.00 55.95 59.66 3kp1 s SER 723 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 3kp1 s SER 723 CO 0.00 -1.47 -0.02 -0.54 0.41 0.00 0.00 173.24 171.63 3kp1 s LYS 724 N -3.24 1.18 0.26 12.44 1.02 -1.26 -4.90 119.74 125.25 3kp1 s LYS 724 Ca 0.75 -1.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 3kp1 s LYS 724 Cb -0.30 -0.45 0.54 0.00 -0.52 0.00 0.00 37.83 37.11 3kp1 s LYS 724 CO 0.33 -0.09 1.73 0.78 -0.92 0.00 0.00 175.35 177.18 3kp1 h GLY 725 N 2.63 1.28 0.70 -3.33 0.00 -1.73 -1.76 103.07 100.87 3kp1 h GLY 725 Ca -0.37 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 46.85 3kp1 h GLY 725 CO 0.63 -0.13 0.50 1.19 0.00 0.00 0.00 176.54 178.73 3kp1 h ILE 726 N 0.46 1.02 -0.50 2.60 6.09 -1.91 0.28 117.51 125.55 3kp1 h ILE 726 Ca 0.46 -0.31 -0.02 0.00 -1.37 0.00 0.00 64.86 63.62 3kp1 h ILE 726 Cb 0.74 0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.05 3kp1 h ILE 726 CO -0.43 0.16 0.23 0.45 -3.07 0.00 0.00 178.15 175.49 3kp1 h HIS 727 N 0.90 0.73 -0.20 2.19 3.86 -1.72 -0.22 115.15 120.69 3kp1 h HIS 727 Ca 0.36 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.49 3kp1 h HIS 727 Cb 0.18 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3kp1 h HIS 727 CO -0.04 0.58 -0.03 0.28 0.86 0.00 0.00 177.93 179.58 3kp1 h VAL 728 N 0.66 1.28 -0.63 2.45 2.07 -1.07 -1.66 116.25 119.35 3kp1 h VAL 728 Ca 0.17 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 3kp1 h VAL 728 Cb 0.14 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3kp1 h VAL 728 CO -0.02 0.30 0.12 0.00 0.02 0.00 0.00 177.57 177.99 3kp1 h ALA 729 N 0.75 1.02 -0.13 1.67 0.00 -0.44 -1.35 119.26 120.79 3kp1 h ALA 729 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kp1 h ALA 729 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kp1 h ALA 729 CO 0.02 0.63 0.08 1.15 0.00 0.00 0.00 179.25 181.13 3kp1 h THR 730 N 0.96 1.05 -0.56 0.00 2.02 -0.92 -0.74 112.91 114.73 3kp1 h THR 730 Ca 0.20 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.33 3kp1 h THR 730 Cb 0.39 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3kp1 h THR 730 CO 0.01 0.05 0.25 0.15 0.37 0.00 0.00 175.52 176.34 3kp1 h PHE 731 N 0.15 0.45 -0.39 3.16 3.57 -1.07 -0.56 116.94 122.24 3kp1 h PHE 731 Ca 0.05 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3kp1 h PHE 731 Cb 0.01 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3kp1 h PHE 731 CO -0.06 0.18 0.10 -0.07 -2.23 0.00 0.00 178.31 176.22 3kp1 h LEU 732 N 0.47 0.59 0.20 0.59 3.38 -0.98 0.04 115.31 119.59 3kp1 h LEU 732 Ca 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kp1 h LEU 732 Cb 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kp1 h LEU 732 CO -0.22 0.67 -0.09 0.58 0.09 0.00 0.00 178.44 179.46 3kp1 h VAL 733 N 0.49 0.88 -0.23 1.22 2.07 -0.94 -2.23 116.25 117.50 3kp1 h VAL 733 Ca 0.12 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3kp1 h VAL 733 Cb 0.30 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kp1 h VAL 733 CO 0.00 0.09 0.09 0.11 0.02 0.00 0.00 177.57 177.88 3kp1 h LYS 734 N -0.46 0.35 -0.58 1.57 1.57 -1.06 -2.73 116.57 115.24 3kp1 h LYS 734 Ca -0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3kp1 h LYS 734 Cb 0.35 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3kp1 h LYS 734 CO 0.04 0.42 0.31 -0.22 -0.57 0.00 0.00 179.45 179.43 3kp1 h LYS 735 N 0.22 0.81 -0.58 3.15 1.63 -1.03 -0.39 116.57 120.37 3kp1 h LYS 735 Ca 0.08 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 3kp1 h LYS 735 Cb 0.20 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3kp1 h LYS 735 CO -0.00 0.63 0.39 -0.09 -3.45 0.00 0.00 179.45 176.92 3kp1 h ARG 736 N 0.78 0.63 -0.21 1.90 2.43 -1.36 0.75 114.38 119.31 3kp1 h ARG 736 Ca 0.20 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3kp1 h ARG 736 Cb 0.06 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3kp1 h ARG 736 CO -0.03 0.42 -0.13 0.00 -1.51 0.00 0.00 179.97 178.72 3kp1 h ARG 737 N 0.65 0.45 -0.78 0.20 3.08 -1.03 -2.12 114.38 114.84 3kp1 h ARG 737 Ca 0.24 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3kp1 h ARG 737 Cb 0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3kp1 h ARG 737 CO -0.07 0.76 0.43 0.93 -1.07 0.00 0.00 179.97 180.95 3kp1 h GLU 738 N 0.14 1.07 -0.64 0.04 5.08 -0.39 -2.55 114.58 117.33 3kp1 h GLU 738 Ca 0.04 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3kp1 h GLU 738 Cb 0.64 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3kp1 h GLU 738 CO 0.04 0.78 0.04 0.52 -1.00 0.00 0.00 179.01 179.38 3kp1 h MET 739 N 1.08 1.10 0.00 2.33 2.86 -0.83 -3.51 114.93 117.96 3kp1 h MET 739 Ca 0.27 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kp1 h MET 739 Cb 0.02 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3kp1 h MET 739 CO -0.05 1.05 0.00 0.54 1.06 0.00 0.00 176.91 179.51