#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd2 s GLU 26 N 0.00 4.17 0.30 0.00 0.41 -1.26 -4.91 118.70 117.41 3kd2 s GLU 26 Ca 0.00 2.48 0.15 0.00 -0.41 0.00 0.00 54.97 57.19 3kd2 s GLU 26 Cb 0.00 -3.07 0.33 0.00 -1.78 0.00 0.00 34.13 29.62 3kd2 s GLU 26 CO 0.00 -0.58 1.57 0.93 -0.49 0.00 0.00 175.26 176.68 3kd2 h GLU 27 N 5.33 0.00 -4.32 1.61 5.08 -1.99 -3.45 114.58 116.84 3kd2 h GLU 27 Ca -0.46 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.68 3kd2 h GLU 27 Cb 1.22 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 3kd2 h GLU 27 CO 0.82 0.53 -0.72 -0.06 -1.00 0.00 0.00 179.01 178.59 3kd2 s PHE 28 N -3.29 0.50 0.17 4.33 0.08 -1.26 -4.96 117.98 113.55 3kd2 s PHE 28 Ca 0.01 -0.53 -0.31 0.00 0.12 0.00 0.00 56.93 56.22 3kd2 s PHE 28 Cb 0.10 -0.32 -0.09 0.00 -0.57 0.00 0.00 43.02 42.15 3kd2 s PHE 28 CO 0.73 -0.14 1.39 -2.14 -0.10 0.00 0.00 175.22 174.97 3kd2 s PRO 29 N -1.62 4.32 -0.01 0.24 0.02 -1.26 -4.99 135.00 131.70 3kd2 s PRO 29 Ca -0.12 2.13 -0.22 0.00 0.02 0.00 0.00 61.00 62.82 3kd2 s PRO 29 Cb -0.09 -3.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 3kd2 s PRO 29 CO -0.00 -0.39 0.65 0.08 -0.33 0.00 0.00 177.00 177.01 3kd2 s VAL 30 N 0.60 4.91 0.66 3.83 1.01 -1.26 -5.05 120.40 125.11 3kd2 s VAL 30 Ca 0.62 1.37 -0.17 0.00 0.00 0.00 0.00 61.98 63.80 3kd2 s VAL 30 Cb -0.38 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3kd2 s VAL 30 CO 0.35 0.36 1.21 -2.84 0.00 0.00 0.00 175.10 174.18 3kd2 s PRO 31 N 0.11 2.55 0.18 2.72 0.02 -1.26 -4.93 135.00 134.39 3kd2 s PRO 31 Ca 0.34 1.78 -0.33 0.00 0.02 0.00 0.00 61.00 62.81 3kd2 s PRO 31 Cb -0.18 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.31 3kd2 s PRO 31 CO 0.18 -1.52 1.44 0.09 -0.33 0.00 0.00 177.00 176.86 3kd2 n ASN 32 N -2.18 2.55 0.00 2.53 5.03 -1.26 -2.01 115.26 119.92 3kd2 n ASN 32 Ca 0.13 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.70 3kd2 n ASN 32 Cb 0.50 -1.37 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 3kd2 n ASN 32 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kd2 n GLY 33 N 2.70 0.79 3.65 7.41 0.00 -1.26 -5.02 105.19 113.46 3kd2 n GLY 33 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3kd2 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kd2 s PHE 34 N -3.05 2.77 -0.03 1.61 0.08 -0.85 -4.44 117.98 114.06 3kd2 s PHE 34 Ca 0.00 -0.18 0.06 0.00 0.12 0.00 0.00 56.93 56.93 3kd2 s PHE 34 Cb 0.00 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.15 3kd2 s PHE 34 CO 0.00 0.56 -0.22 -1.83 -0.10 0.00 0.00 175.22 173.63 3kd2 s GLU 35 N -3.32 1.98 -0.17 0.44 -1.05 -0.07 -4.84 118.70 111.66 3kd2 s GLU 35 Ca 0.29 -0.79 -0.20 0.00 -0.15 0.00 0.00 54.97 54.12 3kd2 s GLU 35 Cb -0.08 -1.82 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 3kd2 s GLU 35 CO 0.19 0.42 0.59 0.45 0.95 0.00 0.00 175.26 177.86 3kd2 s SER 36 N -0.35 6.69 0.33 0.83 0.15 -1.26 -1.30 113.70 118.79 3kd2 s SER 36 Ca 0.04 0.84 -0.04 0.00 0.70 0.00 0.00 55.95 57.48 3kd2 s SER 36 Cb -0.10 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3kd2 s SER 36 CO 0.01 -0.19 0.48 0.00 1.20 0.00 0.00 173.24 174.73 3kd2 s ALA 37 N 1.53 0.59 0.01 5.45 0.00 -0.29 -5.01 121.76 124.04 3kd2 s ALA 37 Ca 0.28 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.86 3kd2 s ALA 37 Cb -0.16 1.13 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3kd2 s ALA 37 CO 0.11 -0.80 -0.08 0.71 0.00 0.00 0.00 175.76 175.70 3kd2 s TYR 38 N -3.17 0.71 -0.02 0.00 1.51 -1.26 -1.32 117.35 113.80 3kd2 s TYR 38 Ca 0.29 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 3kd2 s TYR 38 Cb -0.00 -0.44 -0.00 0.00 -0.11 0.00 0.00 41.96 41.40 3kd2 s TYR 38 CO 0.18 -0.02 -0.10 1.03 -1.11 0.00 0.00 175.55 175.54 3kd2 s ARG 39 N -0.51 0.89 -0.14 -0.62 1.81 -0.48 -4.97 118.95 114.93 3kd2 s ARG 39 Ca 0.00 -0.34 -0.27 0.00 -1.72 0.00 0.00 55.73 53.41 3kd2 s ARG 39 Cb -0.05 -0.85 -0.01 0.00 -0.45 0.00 0.00 34.95 33.59 3kd2 s ARG 39 CO 0.00 0.17 0.89 -2.00 -0.68 0.00 0.00 175.30 173.68 3kd2 s GLU 40 N -0.04 4.35 -0.15 3.54 2.56 -1.26 -0.79 118.70 126.91 3kd2 s GLU 40 Ca 0.01 1.14 -0.00 0.00 0.00 0.00 0.00 54.97 56.12 3kd2 s GLU 40 Cb -0.06 -3.56 0.04 0.00 2.00 0.00 0.00 34.13 32.55 3kd2 s GLU 40 CO 0.00 -0.30 -0.06 0.08 -0.56 0.00 0.00 175.26 174.42 3kd2 s VAL 41 N 2.02 1.09 -1.56 3.70 1.01 0.27 -4.79 120.40 122.16 3kd2 s VAL 41 Ca 0.42 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3kd2 s VAL 41 Cb -0.17 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.08 3kd2 s VAL 41 CO 0.15 0.20 0.75 0.47 0.00 0.00 0.00 175.10 176.67 3kd2 n ASP 42 N 4.89 -2.88 0.00 3.32 8.00 -1.26 -1.26 116.55 127.37 3kd2 n ASP 42 Ca -0.12 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3kd2 n ASP 42 Cb 0.48 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 3kd2 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd2 n GLY 43 N -1.64 0.76 3.36 0.44 0.00 -1.26 -4.89 105.19 101.96 3kd2 n GLY 43 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3kd2 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kd2 s VAL 44 N -3.03 3.09 -0.55 1.61 1.01 -0.39 -4.99 120.40 117.15 3kd2 s VAL 44 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 3kd2 s VAL 44 Cb 0.00 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 34.10 3kd2 s VAL 44 CO 0.00 0.51 1.01 -0.75 0.00 0.00 0.00 175.10 175.87 3kd2 s LYS 45 N 0.57 3.39 -0.05 2.72 2.20 -1.26 -0.56 119.74 126.75 3kd2 s LYS 45 Ca -0.07 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.28 3kd2 s LYS 45 Cb -0.15 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.08 3kd2 s LYS 45 CO 0.03 -1.52 0.42 -0.51 -0.36 0.00 0.00 175.35 173.41 3kd2 s LEU 46 N 4.20 4.40 0.02 5.43 1.43 0.03 -1.14 118.68 133.04 3kd2 s LEU 46 Ca 0.34 0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 54.26 3kd2 s LEU 46 Cb -0.11 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 3kd2 s LEU 46 CO 0.21 0.21 0.27 -2.28 0.23 0.00 0.00 176.35 174.99 3kd2 s HIS 47 N -0.44 3.57 0.17 0.29 5.65 -1.26 -1.38 115.29 121.89 3kd2 s HIS 47 Ca 0.24 0.56 -0.18 0.00 0.25 0.00 0.00 55.06 55.92 3kd2 s HIS 47 Cb -0.16 -1.98 0.04 0.00 -1.18 0.00 0.00 32.58 29.30 3kd2 s HIS 47 CO 0.12 0.60 0.50 1.52 -0.65 0.00 0.00 174.74 176.83 3kd2 s TYR 48 N -1.32 -0.22 -0.09 3.88 1.13 -0.44 -0.77 117.35 119.52 3kd2 s TYR 48 Ca 0.28 -0.09 0.04 0.00 -1.41 0.00 0.00 57.07 55.89 3kd2 s TYR 48 Cb -0.13 0.38 -0.00 0.00 -1.10 0.00 0.00 41.96 41.11 3kd2 s TYR 48 CO 0.17 -0.83 -0.23 0.08 -2.51 0.00 0.00 175.55 172.23 3kd2 s VAL 49 N -3.83 1.94 -0.00 -3.49 1.01 -0.76 -1.13 120.40 114.14 3kd2 s VAL 49 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3kd2 s VAL 49 Cb -0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 3kd2 s VAL 49 CO -0.08 0.53 -0.04 -0.75 0.00 0.00 0.00 175.10 174.76 3kd2 s LYS 50 N 0.27 0.35 0.27 2.72 2.20 -0.42 -0.81 119.74 124.32 3kd2 s LYS 50 Ca -0.15 -0.18 -0.21 0.00 -0.36 0.00 0.00 55.97 55.07 3kd2 s LYS 50 Cb -0.17 -0.33 0.04 0.00 -1.51 0.00 0.00 37.83 35.86 3kd2 s LYS 50 CO 0.07 0.09 0.81 0.20 -0.36 0.00 0.00 175.35 176.17 3kd2 s GLY 51 N -0.16 -0.01 0.00 5.54 0.00 -0.55 -0.89 107.32 111.25 3kd2 s GLY 51 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3kd2 s GLY 51 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 3kd2 n GLY 52 N -0.50 -2.52 3.26 0.20 0.00 -1.26 0.02 105.19 104.39 3kd2 n GLY 52 Ca -0.05 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 3kd2 n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kd2 s GLN 53 N -0.59 0.80 0.00 1.61 -2.07 -0.88 -4.60 119.66 113.92 3kd2 s GLN 53 Ca 0.00 -0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 3kd2 s GLN 53 Cb 0.00 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.27 3kd2 s GLN 53 CO 0.00 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 3kd2 n GLY 54 N 0.69 -0.37 3.73 2.60 0.00 -1.26 -2.91 105.19 107.66 3kd2 n GLY 54 Ca -0.19 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.28 3kd2 n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kd2 s PRO 55 N 0.00 2.23 0.09 1.61 0.02 -1.26 -3.21 135.00 134.49 3kd2 s PRO 55 Ca 0.00 1.74 -0.26 0.00 0.02 0.00 0.00 61.00 62.50 3kd2 s PRO 55 Cb 0.00 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.61 3kd2 s PRO 55 CO 0.00 -1.76 0.80 -1.17 -0.33 0.00 0.00 177.00 174.54 3kd2 s LEU 56 N -5.07 4.50 -0.13 -5.54 2.96 -1.26 -1.00 118.68 113.14 3kd2 s LEU 56 Ca 0.74 1.57 0.02 0.00 -0.22 0.00 0.00 54.13 56.24 3kd2 s LEU 56 Cb -0.29 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.10 3kd2 s LEU 56 CO 0.44 0.06 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.65 3kd2 s VAL 57 N -0.39 1.88 -0.20 1.68 1.01 0.38 -0.73 120.40 124.03 3kd2 s VAL 57 Ca 0.39 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3kd2 s VAL 57 Cb -0.22 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3kd2 s VAL 57 CO 0.25 0.52 0.09 -0.32 0.00 0.00 0.00 175.10 175.64 3kd2 s MET 58 N 0.92 4.00 -0.20 2.72 1.75 -0.38 -1.47 119.30 126.65 3kd2 s MET 58 Ca -0.06 -0.32 -0.05 0.00 -1.25 0.00 0.00 55.69 54.01 3kd2 s MET 58 Cb -0.15 -3.32 -0.02 0.00 2.84 0.00 0.00 34.83 34.17 3kd2 s MET 58 CO -0.03 0.20 -0.00 -0.51 -0.65 0.00 0.00 175.02 174.02 3kd2 s LEU 59 N 0.61 3.24 -0.21 4.11 1.43 -0.15 -1.14 118.68 126.58 3kd2 s LEU 59 Ca 0.05 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3kd2 s LEU 59 Cb -0.13 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.30 3kd2 s LEU 59 CO 0.01 0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.80 3kd2 s VAL 60 N 1.02 2.19 1.13 -1.59 1.01 0.18 -3.66 120.40 120.68 3kd2 s VAL 60 Ca 0.02 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 60.66 3kd2 s VAL 60 Cb -0.14 -2.05 0.27 0.00 0.00 0.00 0.00 36.38 34.45 3kd2 s VAL 60 CO 0.02 0.34 1.22 -1.38 0.00 0.00 0.00 175.10 175.29 3kd2 s HIS 61 N 1.24 0.68 0.00 5.22 -3.43 -1.26 -1.55 115.29 116.18 3kd2 s HIS 61 Ca 0.00 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 3kd2 s HIS 61 Cb -0.15 -3.83 0.00 0.00 -1.43 0.00 0.00 32.58 27.16 3kd2 s HIS 61 CO -0.10 -3.51 0.00 0.41 -2.00 0.00 0.00 174.74 169.54 3kd2 n GLY 62 N -2.26 6.19 3.77 -1.38 0.00 -1.19 -2.77 105.19 107.55 3kd2 n GLY 62 Ca 0.16 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 3kd2 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kd2 s PHE 63 N -0.20 2.77 0.00 1.61 5.36 -1.26 -2.76 117.98 123.51 3kd2 s PHE 63 Ca 0.00 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 3kd2 s PHE 63 Cb 0.00 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 3kd2 s PHE 63 CO 0.00 -2.32 0.00 0.41 -1.46 0.00 0.00 175.22 171.85 3kd2 n GLY 64 N 0.65 1.70 0.88 13.12 0.00 -1.26 -4.97 105.19 115.30 3kd2 n GLY 64 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3kd2 n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kd2 n GLN 65 N -2.00 0.56 -1.57 1.61 6.02 -1.11 -4.84 117.38 116.05 3kd2 n GLN 65 Ca 0.00 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 3kd2 n GLN 65 Cb 0.00 0.59 0.00 0.00 1.02 0.00 0.00 30.24 31.85 3kd2 n GLN 65 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kd2 n THR 66 N -0.22 0.00 -0.21 5.09 -2.24 -1.26 -4.71 114.28 110.73 3kd2 n THR 66 Ca -0.00 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 62.08 3kd2 n THR 66 Cb 0.16 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.12 3kd2 n THR 66 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3kd2 h TRP 67 N 0.88 0.00 0.00 4.78 5.08 -1.85 -2.71 115.95 122.13 3kd2 h TRP 67 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3kd2 h TRP 67 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3kd2 h TRP 67 CO 0.00 0.00 -0.03 -0.92 -1.28 0.00 0.00 178.44 176.21 3kd2 h TYR 68 N 0.00 0.00 0.00 0.12 3.20 -1.94 -1.89 116.97 116.46 3kd2 h TYR 68 Ca 0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.33 3kd2 h TYR 68 Cb 1.95 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.22 3kd2 h TYR 68 CO 0.00 0.03 0.00 1.05 -1.64 0.00 0.00 178.16 177.60 3kd2 h GLU 69 N 0.00 0.00 -0.30 1.82 4.11 -1.89 -1.23 114.58 117.08 3kd2 h GLU 69 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kd2 h GLU 69 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kd2 h GLU 69 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 179.01 179.99 3kd2 n TRP 70 N -3.01 0.39 0.29 2.06 7.02 -0.71 -4.58 117.44 118.90 3kd2 n TRP 70 Ca -0.02 -0.19 0.17 0.00 -1.02 0.00 0.00 57.50 56.43 3kd2 n TRP 70 Cb 0.12 0.00 0.87 0.00 -2.42 0.00 0.00 31.31 29.88 3kd2 n TRP 70 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 3kd2 h HIS 71 N 3.40 0.00 0.10 -5.99 2.07 -1.38 -0.47 115.15 112.88 3kd2 h HIS 71 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 3kd2 h HIS 71 Cb 0.75 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.72 3kd2 h HIS 71 CO 0.19 0.05 -1.49 1.96 -3.07 0.00 0.00 177.93 175.58 3kd2 h GLN 72 N 0.00 0.21 -0.07 5.12 4.20 -1.83 -3.36 115.11 119.38 3kd2 h GLN 72 Ca -0.00 -0.36 -0.21 0.00 0.06 0.00 0.00 58.65 58.14 3kd2 h GLN 72 Cb 0.27 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3kd2 h GLN 72 CO 0.01 1.06 -0.83 1.25 -0.67 0.00 0.00 178.83 179.65 3kd2 h LEU 73 N 0.06 0.66 -0.26 1.46 5.85 -1.65 -3.38 115.31 118.05 3kd2 h LEU 73 Ca -0.22 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.09 3kd2 h LEU 73 Cb 1.99 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.77 3kd2 h LEU 73 CO 0.15 1.24 -0.12 0.24 -0.34 0.00 0.00 178.44 179.62 3kd2 h MET 74 N 0.35 -0.07 -0.72 1.25 2.86 -1.26 -1.06 114.93 116.26 3kd2 h MET 74 Ca -0.06 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3kd2 h MET 74 Cb 1.44 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.09 3kd2 h MET 74 CO 0.15 -0.05 0.38 -1.35 1.06 0.00 0.00 176.91 177.10 3kd2 h PRO 75 N -0.08 1.01 -0.19 -0.22 0.11 -1.75 0.20 132.00 131.07 3kd2 h PRO 75 Ca 0.14 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 3kd2 h PRO 75 Cb 0.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3kd2 h PRO 75 CO -0.31 0.75 -0.02 0.93 -0.21 0.00 0.00 178.00 179.14 3kd2 h GLU 76 N 1.01 0.35 -0.31 1.05 5.08 -1.64 -3.06 114.58 117.06 3kd2 h GLU 76 Ca 0.25 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3kd2 h GLU 76 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kd2 h GLU 76 CO -0.04 0.58 -0.07 1.25 -1.00 0.00 0.00 179.01 179.73 3kd2 h LEU 77 N 0.09 0.48 -0.10 1.33 5.85 -0.88 -2.57 115.31 119.51 3kd2 h LEU 77 Ca 0.05 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3kd2 h LEU 77 Cb 0.43 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3kd2 h LEU 77 CO 0.01 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 3kd2 n ALA 78 N -2.48 1.32 0.23 1.25 0.00 0.67 -1.38 120.51 120.12 3kd2 n ALA 78 Ca 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3kd2 n ALA 78 Cb 0.29 -1.13 0.43 0.00 0.00 0.00 0.00 19.45 19.03 3kd2 n ALA 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kd2 h LYS 79 N 0.00 0.00 0.00 0.00 1.57 -1.50 -3.35 116.57 113.29 3kd2 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kd2 h LYS 79 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kd2 h LYS 79 CO 0.00 0.17 -0.79 0.54 -0.57 0.00 0.00 179.45 178.80 3kd2 n ARG 80 N -3.26 1.30 -4.27 3.15 1.74 -0.63 -4.96 116.66 109.74 3kd2 n ARG 80 Ca 0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3kd2 n ARG 80 Cb 0.45 -0.89 -0.10 0.00 -1.02 0.00 0.00 32.46 30.89 3kd2 n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kd2 s PHE 81 N -1.58 1.31 -0.05 -1.55 0.08 -0.48 -4.39 117.98 111.32 3kd2 s PHE 81 Ca 0.00 -0.98 -0.28 0.00 0.12 0.00 0.00 56.93 55.80 3kd2 s PHE 81 Cb 0.00 -0.74 -0.03 0.00 -0.57 0.00 0.00 43.02 41.68 3kd2 s PHE 81 CO 0.00 -0.15 0.88 0.99 -0.10 0.00 0.00 175.22 176.85 3kd2 s THR 82 N -3.57 4.92 -0.12 0.64 2.01 -0.17 -2.07 115.64 117.27 3kd2 s THR 82 Ca 0.25 1.83 0.02 0.00 0.31 0.00 0.00 61.69 64.10 3kd2 s THR 82 Cb 0.06 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 3kd2 s THR 82 CO 0.05 0.16 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.26 3kd2 s VAL 83 N 1.14 2.47 -0.07 3.82 1.01 0.10 -0.47 120.40 128.40 3kd2 s VAL 83 Ca 0.46 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3kd2 s VAL 83 Cb -0.19 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3kd2 s VAL 83 CO 0.23 0.54 -0.16 -0.51 0.00 0.00 0.00 175.10 175.19 3kd2 s ILE 84 N 0.46 1.45 -0.36 2.22 2.07 -0.54 -1.49 121.20 125.01 3kd2 s ILE 84 Ca -0.13 -0.67 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 3kd2 s ILE 84 Cb -0.17 -1.29 0.11 0.00 0.13 0.00 0.00 42.46 41.24 3kd2 s ILE 84 CO 0.06 0.42 0.10 0.00 -1.91 0.00 0.00 174.94 173.61 3kd2 s ALA 85 N 0.52 2.46 0.47 1.50 0.00 0.01 -0.97 121.76 125.75 3kd2 s ALA 85 Ca -0.15 -2.35 -0.16 0.00 0.00 0.00 0.00 51.96 49.29 3kd2 s ALA 85 Cb -0.16 -1.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.00 3kd2 s ALA 85 CO 0.05 -1.75 0.92 -1.25 0.00 0.00 0.00 175.76 173.74 3kd2 s PRO 86 N 0.95 3.97 0.01 0.00 0.04 -1.24 -1.82 135.00 136.91 3kd2 s PRO 86 Ca 0.12 0.88 -0.25 0.00 0.04 0.00 0.00 61.00 61.78 3kd2 s PRO 86 Cb -0.20 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 3kd2 s PRO 86 CO -0.12 -0.15 0.78 -0.51 0.04 0.00 0.00 177.00 177.03 3kd2 s ASP 87 N -2.87 7.17 0.61 6.66 1.01 0.05 -4.31 116.67 124.99 3kd2 s ASP 87 Ca 0.58 1.40 -0.19 0.00 0.71 0.00 0.00 52.55 55.05 3kd2 s ASP 87 Cb -0.10 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3kd2 s ASP 87 CO 0.27 -0.06 1.20 0.18 0.21 0.00 0.00 175.17 176.97 3kd2 n LEU 88 N 3.25 5.16 -4.63 1.23 4.77 -1.26 -4.58 117.00 120.92 3kd2 n LEU 88 Ca -0.01 0.86 -0.50 0.00 -0.03 0.00 0.00 56.01 56.32 3kd2 n LEU 88 Cb 0.51 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.04 3kd2 n LEU 88 CO 0.48 -1.18 1.07 -2.65 -1.33 0.00 0.00 177.39 173.77 3kd2 n PRO 89 N -1.41 1.53 0.00 3.23 -0.02 -1.26 -0.93 135.00 136.14 3kd2 n PRO 89 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3kd2 n PRO 89 Cb 0.47 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3kd2 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kd2 n GLY 90 N 3.07 3.20 3.86 -1.23 0.00 -0.60 -4.62 105.19 108.86 3kd2 n GLY 90 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3kd2 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kd2 s LEU 91 N 0.00 3.79 0.00 0.99 1.43 -0.11 -3.74 118.68 121.04 3kd2 s LEU 91 Ca 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3kd2 s LEU 91 Cb 0.00 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3kd2 s LEU 91 CO 0.00 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3kd2 n GLY 92 N -1.31 3.46 0.95 -3.19 0.00 -1.26 -1.50 105.19 102.34 3kd2 n GLY 92 Ca -0.05 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3kd2 n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kd2 n GLN 93 N 14.00 3.05 -3.58 1.61 6.02 -1.26 -4.99 117.38 132.23 3kd2 n GLN 93 Ca 0.00 -2.86 -0.36 0.00 -0.01 0.00 0.00 57.00 53.77 3kd2 n GLN 93 Cb 0.00 -1.87 -0.06 0.00 1.02 0.00 0.00 30.24 29.34 3kd2 n GLN 93 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kd2 s SER 94 N -1.85 6.67 0.55 1.08 0.01 -0.56 -4.25 113.70 115.34 3kd2 s SER 94 Ca 0.43 0.81 -0.19 0.00 1.31 0.00 0.00 55.95 58.31 3kd2 s SER 94 Cb 0.34 -2.19 -0.06 0.00 0.21 0.00 0.00 66.02 64.33 3kd2 s SER 94 CO 0.09 0.24 1.12 -1.61 0.41 0.00 0.00 173.24 173.50 3kd2 s GLU 95 N -1.56 3.36 0.80 12.44 2.02 -0.29 -2.21 118.70 133.25 3kd2 s GLU 95 Ca 0.28 1.58 -0.14 0.00 0.02 0.00 0.00 54.97 56.72 3kd2 s GLU 95 Cb -0.15 -2.01 0.05 0.00 0.10 0.00 0.00 34.13 32.13 3kd2 s GLU 95 CO 0.15 -0.84 1.01 -2.30 0.02 0.00 0.00 175.26 173.30 3kd2 n PRO 96 N -1.34 0.18 -2.11 0.39 -0.02 -1.26 -1.56 135.00 129.27 3kd2 n PRO 96 Ca 0.11 0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 3kd2 n PRO 96 Cb 0.51 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 3kd2 n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kd2 s PRO 97 N -3.80 3.14 0.01 0.52 0.05 -1.26 -4.71 135.00 128.94 3kd2 s PRO 97 Ca 0.71 1.71 0.22 0.00 0.05 0.00 0.00 61.00 63.69 3kd2 s PRO 97 Cb -0.30 -1.96 -0.01 0.00 0.05 0.00 0.00 34.50 32.28 3kd2 s PRO 97 CO 0.53 -1.04 1.00 1.63 0.05 0.00 0.00 177.00 179.17 3kd2 n LYS 98 N -1.50 0.14 -0.05 4.56 5.02 -1.26 -4.54 118.16 120.52 3kd2 n LYS 98 Ca 0.13 -0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.36 3kd2 n LYS 98 Cb 0.50 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 3kd2 n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kd2 n THR 99 N -1.71 1.07 0.00 -0.18 -2.24 -1.26 -5.12 114.28 104.84 3kd2 n THR 99 Ca 0.03 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 3kd2 n THR 99 Cb 0.38 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 3kd2 n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd2 n GLY 100 N 1.62 -0.70 0.81 3.38 0.00 -1.26 -5.04 105.19 104.00 3kd2 n GLY 100 Ca -0.06 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 44.96 3kd2 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kd2 n TYR 101 N -0.34 0.26 -1.69 1.61 4.02 -1.26 -4.19 117.16 115.56 3kd2 n TYR 101 Ca 0.00 -0.18 -0.34 0.00 -0.01 0.00 0.00 57.90 57.37 3kd2 n TYR 101 Cb 0.00 -0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.38 3kd2 n TYR 101 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3kd2 s SER 102 N -1.29 4.79 0.24 7.72 1.04 -1.26 -4.69 113.70 120.24 3kd2 s SER 102 Ca 0.26 2.21 -0.05 0.00 0.48 0.00 0.00 55.95 58.85 3kd2 s SER 102 Cb 0.16 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 64.12 3kd2 s SER 102 CO 0.23 -1.85 1.74 1.23 0.98 0.00 0.00 173.24 175.57 3kd2 h GLY 103 N 0.09 1.10 1.66 7.32 0.00 -1.86 -0.89 103.07 110.49 3kd2 h GLY 103 Ca -0.48 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 3kd2 h GLY 103 CO 0.53 -0.05 -0.29 -2.09 0.00 0.00 0.00 176.54 174.64 3kd2 h GLU 104 N 0.49 0.39 -0.05 4.80 4.81 -1.91 -0.41 114.58 122.69 3kd2 h GLU 104 Ca 0.39 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 3kd2 h GLU 104 Cb 0.53 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3kd2 h GLU 104 CO -0.36 0.65 -0.31 1.96 -0.73 0.00 0.00 179.01 180.23 3kd2 h GLN 105 N 0.35 0.31 -0.53 1.92 4.20 -1.66 -3.25 115.11 116.44 3kd2 h GLN 105 Ca 0.05 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 3kd2 h GLN 105 Cb 0.69 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3kd2 h GLN 105 CO 0.05 0.91 -0.06 0.28 -0.67 0.00 0.00 178.83 179.34 3kd2 h VAL 106 N -0.22 1.26 -0.37 -0.54 2.07 -1.10 -3.01 116.25 114.35 3kd2 h VAL 106 Ca -0.02 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3kd2 h VAL 106 Cb 0.97 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3kd2 h VAL 106 CO 0.06 0.41 0.25 0.00 0.02 0.00 0.00 177.57 178.32 3kd2 h ALA 107 N 1.07 1.98 -0.56 1.67 0.00 -0.96 -1.51 119.26 120.95 3kd2 h ALA 107 Ca 0.15 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kd2 h ALA 107 Cb 0.59 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3kd2 h ALA 107 CO 0.04 -0.04 0.27 0.28 0.00 0.00 0.00 179.25 179.79 3kd2 h VAL 108 N 0.29 0.92 -0.44 0.00 2.07 -1.56 0.99 116.25 118.51 3kd2 h VAL 108 Ca 0.16 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3kd2 h VAL 108 Cb 0.27 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3kd2 h VAL 108 CO -0.03 0.09 0.23 1.88 0.02 0.00 0.00 177.57 179.76 3kd2 h TYR 109 N 0.51 0.62 -0.37 1.57 0.05 -1.40 -1.33 116.97 116.62 3kd2 h TYR 109 Ca 0.26 -0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.87 3kd2 h TYR 109 Cb 0.20 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3kd2 h TYR 109 CO -0.11 0.48 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.05 3kd2 h LEU 110 N 0.58 0.90 -0.15 3.88 3.38 -1.33 -1.22 115.31 121.34 3kd2 h LEU 110 Ca 0.15 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kd2 h LEU 110 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kd2 h LEU 110 CO -0.02 1.16 0.06 -0.74 0.09 0.00 0.00 178.44 178.98 3kd2 h HIS 111 N 0.70 0.24 -0.33 1.13 2.76 -0.67 -1.76 115.15 117.22 3kd2 h HIS 111 Ca 0.07 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 3kd2 h HIS 111 Cb 0.92 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 3kd2 h HIS 111 CO 0.05 0.32 -0.16 0.87 -1.30 0.00 0.00 177.93 177.72 3kd2 h LYS 112 N 0.08 0.59 -0.21 5.26 1.57 -1.21 -1.51 116.57 121.15 3kd2 h LYS 112 Ca 0.05 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3kd2 h LYS 112 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3kd2 h LYS 112 CO -0.00 0.73 0.10 1.25 -0.57 0.00 0.00 179.45 180.96 3kd2 h LEU 113 N 0.54 0.27 -0.47 2.94 5.85 -1.10 -2.07 115.31 121.26 3kd2 h LEU 113 Ca 0.09 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kd2 h LEU 113 Cb 0.58 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3kd2 h LEU 113 CO 0.04 0.31 0.26 0.00 -0.34 0.00 0.00 178.44 178.71 3kd2 h ALA 114 N 0.97 0.60 -0.15 1.25 0.00 -1.07 -2.56 119.26 118.31 3kd2 h ALA 114 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kd2 h ALA 114 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kd2 h ALA 114 CO -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 179.25 179.26 3kd2 h ARG 115 N 0.53 0.19 -0.28 0.00 2.47 -1.09 0.83 114.38 117.02 3kd2 h ARG 115 Ca 0.20 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 3kd2 h ARG 115 Cb 0.05 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3kd2 h ARG 115 CO -0.11 0.15 0.19 1.96 0.56 0.00 0.00 179.97 182.72 3kd2 h GLN 116 N 0.20 0.29 0.00 0.04 4.20 -0.94 -2.38 115.11 116.51 3kd2 h GLN 116 Ca 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3kd2 h GLN 116 Cb 0.01 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3kd2 h GLN 116 CO -0.01 0.19 -1.51 1.19 -0.67 0.00 0.00 178.83 178.02 3kd2 n PHE 117 N -4.49 0.00 -3.17 2.96 3.72 -0.32 -4.65 117.46 111.50 3kd2 n PHE 117 Ca 0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 3kd2 n PHE 117 Cb 0.14 -0.28 -0.04 0.00 -0.94 0.00 0.00 39.48 38.35 3kd2 n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kd2 n SER 118 N -1.90 1.16 0.16 4.37 2.88 0.13 -4.95 113.62 115.47 3kd2 n SER 118 Ca -0.01 -3.02 0.01 0.00 -1.33 0.00 0.00 58.87 54.51 3kd2 n SER 118 Cb 0.40 -0.62 0.29 0.00 -0.75 0.00 0.00 64.21 63.53 3kd2 n SER 118 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kd2 h PRO 119 N 3.27 0.04 -0.38 -1.46 0.13 -1.68 -3.30 132.00 128.62 3kd2 h PRO 119 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3kd2 h PRO 119 Cb 0.89 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3kd2 h PRO 119 CO 0.54 0.47 0.00 -0.25 -0.23 0.00 0.00 178.00 178.52 3kd2 n ASP 120 N -4.02 3.45 -3.58 1.44 8.00 -1.26 -4.99 116.55 115.58 3kd2 n ASP 120 Ca -0.02 -2.32 -0.13 0.00 0.71 0.00 0.00 54.79 53.03 3kd2 n ASP 120 Cb 0.46 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3kd2 n ASP 120 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kd2 s ARG 121 N -1.58 0.77 0.62 -1.24 3.52 -1.24 -5.15 118.95 114.65 3kd2 s ARG 121 Ca 0.33 0.47 -0.19 0.00 -0.13 0.00 0.00 55.73 56.21 3kd2 s ARG 121 Cb 0.21 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.95 3kd2 s ARG 121 CO 0.16 -0.18 1.29 -2.14 -0.81 0.00 0.00 175.30 173.61 3kd2 s PRO 122 N -0.51 2.74 0.30 5.12 0.02 -1.26 -4.86 135.00 136.55 3kd2 s PRO 122 Ca -0.03 2.05 0.11 0.00 0.02 0.00 0.00 61.00 63.14 3kd2 s PRO 122 Cb -0.02 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3kd2 s PRO 122 CO 0.02 -1.45 -0.14 -0.59 -0.33 0.00 0.00 177.00 174.51 3kd2 s PHE 123 N -1.42 2.37 0.29 6.54 -0.71 0.20 -4.66 117.98 120.60 3kd2 s PHE 123 Ca 0.80 -0.37 -0.07 0.00 -1.04 0.00 0.00 56.93 56.24 3kd2 s PHE 123 Cb -0.37 -1.15 -0.06 0.00 -1.21 0.00 0.00 43.02 40.24 3kd2 s PHE 123 CO 0.40 0.66 0.59 -0.51 -1.34 0.00 0.00 175.22 175.02 3kd2 s ASP 124 N -3.57 6.50 -0.05 1.98 1.01 0.09 -0.96 116.67 121.68 3kd2 s ASP 124 Ca 0.31 0.84 0.01 0.00 0.71 0.00 0.00 52.55 54.43 3kd2 s ASP 124 Cb -0.03 -2.20 0.02 0.00 1.01 0.00 0.00 42.92 41.73 3kd2 s ASP 124 CO 0.16 -0.20 -0.06 -0.22 0.21 0.00 0.00 175.17 175.06 3kd2 s LEU 125 N -3.42 1.42 -0.12 1.23 2.96 -0.63 -1.25 118.68 118.87 3kd2 s LEU 125 Ca 0.46 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3kd2 s LEU 125 Cb -0.11 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.06 3kd2 s LEU 125 CO 0.28 -0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.42 3kd2 s VAL 126 N 0.84 1.62 0.02 1.68 1.01 -0.29 -0.29 120.40 124.98 3kd2 s VAL 126 Ca -0.12 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3kd2 s VAL 126 Cb -0.15 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3kd2 s VAL 126 CO 0.01 0.47 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 3kd2 s ALA 127 N 1.04 0.78 -0.03 5.51 0.00 -0.03 -0.65 121.76 128.38 3kd2 s ALA 127 Ca -0.05 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.39 3kd2 s ALA 127 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3kd2 s ALA 127 CO -0.03 0.13 -0.18 -1.58 0.00 0.00 0.00 175.76 174.10 3kd2 s HIS 128 N -0.65 1.74 0.00 0.00 2.46 -0.60 -1.37 115.29 116.86 3kd2 s HIS 128 Ca -0.00 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.12 3kd2 s HIS 128 Cb -0.06 -1.14 0.00 0.00 -0.13 0.00 0.00 32.58 31.25 3kd2 s HIS 128 CO 0.00 -0.09 0.00 -3.47 -2.47 0.00 0.00 174.74 168.71 3kd2 n ASP 129 N 2.85 0.00 0.00 9.88 -0.08 -0.93 -1.00 116.55 127.27 3kd2 n ASP 129 Ca -0.16 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.17 3kd2 n ASP 129 Cb 0.53 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.23 3kd2 n ASP 129 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3kd2 n ILE 130 N 0.00 1.00 0.26 5.18 -5.35 -1.26 -0.97 119.36 118.22 3kd2 n ILE 130 Ca 0.00 0.25 0.09 0.00 -0.27 0.00 0.00 62.75 62.82 3kd2 n ILE 130 Cb 0.00 -1.08 0.67 0.00 -1.74 0.00 0.00 39.64 37.49 3kd2 n ILE 130 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3kd2 h GLY 131 N 1.72 0.00 0.74 3.28 0.00 -0.88 -1.55 103.07 106.37 3kd2 h GLY 131 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3kd2 h GLY 131 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 176.54 174.32 3kd2 h ILE 132 N 0.00 1.23 -0.95 2.60 2.04 -1.19 -2.62 117.51 118.61 3kd2 h ILE 132 Ca -0.00 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.29 3kd2 h ILE 132 Cb 0.09 1.62 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 3kd2 h ILE 132 CO 0.01 0.19 0.61 -0.50 0.00 0.00 0.00 178.15 178.45 3kd2 h TRP 133 N -0.20 1.02 -0.09 1.37 4.06 -1.51 -1.20 115.95 119.39 3kd2 h TRP 133 Ca 0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3kd2 h TRP 133 Cb 0.30 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 3kd2 h TRP 133 CO 0.02 0.40 0.00 0.09 -3.56 0.00 0.00 178.44 175.40 3kd2 n ASN 134 N -4.59 1.72 0.00 -3.49 3.02 -0.65 -4.11 115.26 107.16 3kd2 n ASN 134 Ca 0.18 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 3kd2 n ASN 134 Cb 0.39 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 3kd2 n ASN 134 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kd2 n THR 135 N 0.35 0.00 -0.22 3.41 -2.24 -0.95 -2.97 114.28 111.66 3kd2 n THR 135 Ca 0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.98 3kd2 n THR 135 Cb 0.37 -0.67 0.14 0.00 -2.10 0.00 0.00 70.33 68.07 3kd2 n THR 135 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kd2 h TYR 136 N 0.00 0.34 -0.81 4.78 3.20 -1.39 -1.51 116.97 121.58 3kd2 h TYR 136 Ca 0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3kd2 h TYR 136 Cb 0.74 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 3kd2 h TYR 136 CO 0.00 0.01 0.54 -1.35 -1.64 0.00 0.00 178.16 175.72 3kd2 h PRO 137 N 0.34 1.06 0.00 1.82 0.11 -1.85 -1.24 132.00 132.24 3kd2 h PRO 137 Ca 0.36 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.29 3kd2 h PRO 137 Cb 0.53 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3kd2 h PRO 137 CO -0.40 0.70 -0.55 0.00 -0.21 0.00 0.00 178.00 177.53 3kd2 h MET 138 N 1.09 0.00 -0.02 1.05 -0.00 -1.67 -1.93 114.93 113.45 3kd2 h MET 138 Ca 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.00 3kd2 h MET 138 Cb -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.50 3kd2 h MET 138 CO -0.07 0.55 0.00 0.28 -0.00 0.00 0.00 176.91 177.67 3kd2 h VAL 139 N 0.00 1.23 0.00 -0.10 2.07 -0.88 -1.45 116.25 117.12 3kd2 h VAL 139 Ca -0.01 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 3kd2 h VAL 139 Cb 1.08 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3kd2 h VAL 139 CO 0.07 0.18 -0.42 1.62 0.02 0.00 0.00 177.57 179.04 3kd2 h VAL 140 N -0.25 1.03 0.00 2.57 3.04 -1.18 -2.94 116.25 118.52 3kd2 h VAL 140 Ca 0.01 -1.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.08 3kd2 h VAL 140 Cb 0.30 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3kd2 h VAL 140 CO 0.00 0.42 -0.85 0.29 -1.01 0.00 0.00 177.57 176.42 3kd2 n LYS 141 N -3.63 0.35 -2.72 4.17 5.02 -0.73 -4.38 118.16 116.23 3kd2 n LYS 141 Ca -0.01 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 3kd2 n LYS 141 Cb 0.52 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 3kd2 n LYS 141 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kd2 n ASN 142 N -2.15 2.45 0.08 4.39 3.02 -0.55 -4.94 115.26 117.55 3kd2 n ASN 142 Ca 0.02 -3.10 0.05 0.00 -0.03 0.00 0.00 54.58 51.52 3kd2 n ASN 142 Cb 0.46 -0.53 0.48 0.00 -0.61 0.00 0.00 39.78 39.58 3kd2 n ASN 142 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3kd2 h GLN 143 N 2.89 0.37 0.00 3.52 4.20 -1.72 0.11 115.11 124.48 3kd2 h GLN 143 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3kd2 h GLN 143 Cb 1.02 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3kd2 h GLN 143 CO 0.62 0.27 0.00 0.00 -0.67 0.00 0.00 178.83 179.04 3kd2 h ALA 144 N 1.80 1.00 0.00 3.87 0.00 -1.92 -2.02 119.26 121.99 3kd2 h ALA 144 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kd2 h ALA 144 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kd2 h ALA 144 CO -0.02 0.00 -0.61 -0.25 0.00 0.00 0.00 179.25 178.37 3kd2 n ASP 145 N -2.90 0.64 -4.25 0.00 8.00 0.38 -4.52 116.55 113.90 3kd2 n ASP 145 Ca -0.02 0.05 -0.36 0.00 0.71 0.00 0.00 54.79 55.17 3kd2 n ASP 145 Cb 0.12 0.20 -0.13 0.00 -0.02 0.00 0.00 41.12 41.29 3kd2 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kd2 s ILE 146 N -3.14 3.49 -0.04 0.53 -1.09 -0.76 -0.63 121.20 119.56 3kd2 s ILE 146 Ca 0.07 -1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 57.30 3kd2 s ILE 146 Cb 0.14 -2.91 -0.07 0.00 -1.58 0.00 0.00 42.46 38.05 3kd2 s ILE 146 CO 0.72 -0.04 0.53 0.00 -1.23 0.00 0.00 174.94 174.92 3kd2 h ALA 147 N 8.14 -0.47 -3.25 9.38 0.00 -1.32 -3.46 119.26 128.27 3kd2 h ALA 147 Ca -0.26 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.24 3kd2 h ALA 147 Cb 1.09 0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 3kd2 h ALA 147 CO 0.58 -0.44 -0.75 1.03 0.00 0.00 0.00 179.25 179.67 3kd2 s ARG 148 N -2.96 0.60 -0.09 0.00 0.52 -1.26 -4.14 118.95 111.63 3kd2 s ARG 148 Ca -0.06 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 3kd2 s ARG 148 Cb 0.01 -0.44 0.01 0.00 0.52 0.00 0.00 34.95 35.05 3kd2 s ARG 148 CO 0.19 0.09 -0.19 -1.17 0.02 0.00 0.00 175.30 174.24 3kd2 s LEU 149 N -1.57 1.90 -0.17 2.53 2.96 -0.29 -1.61 118.68 122.42 3kd2 s LEU 149 Ca -0.08 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3kd2 s LEU 149 Cb -0.10 -1.18 0.02 0.00 0.50 0.00 0.00 46.19 45.44 3kd2 s LEU 149 CO 0.01 0.10 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.28 3kd2 s VAL 150 N 0.55 1.82 -0.08 1.68 1.01 0.60 -0.51 120.40 125.47 3kd2 s VAL 150 Ca -0.15 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3kd2 s VAL 150 Cb -0.17 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3kd2 s VAL 150 CO 0.05 0.46 -0.19 -0.31 0.00 0.00 0.00 175.10 175.12 3kd2 s TYR 151 N 1.38 2.62 -0.01 5.22 2.02 -0.61 -0.85 117.35 127.12 3kd2 s TYR 151 Ca 0.04 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3kd2 s TYR 151 Cb -0.13 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3kd2 s TYR 151 CO -0.11 -0.14 -0.01 0.00 -1.57 0.00 0.00 175.55 173.71 3kd2 s MET 152 N -0.10 0.18 -1.10 -0.62 0.23 -0.47 -1.79 119.30 115.63 3kd2 s MET 152 Ca -0.04 -0.02 -0.09 0.00 -1.03 0.00 0.00 55.69 54.52 3kd2 s MET 152 Cb -0.14 -0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 32.87 3kd2 s MET 152 CO 0.04 -0.02 0.88 0.39 -2.03 0.00 0.00 175.02 174.28 3kd2 n GLU 153 N 3.39 -2.44 0.00 3.16 -0.58 -0.98 -2.19 120.64 121.00 3kd2 n GLU 153 Ca -0.17 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 3kd2 n GLU 153 Cb 0.56 -5.34 0.00 0.00 -0.57 0.00 0.00 31.44 26.10 3kd2 n GLU 153 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kd2 n ALA 154 N -3.61 0.00 -1.77 0.62 0.00 -1.26 -3.12 120.51 111.37 3kd2 n ALA 154 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 3kd2 n ALA 154 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 3kd2 n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kd2 s PRO 155 N -1.33 4.23 0.23 0.00 0.05 -1.26 -4.94 135.00 131.98 3kd2 s PRO 155 Ca 0.00 1.75 -0.30 0.00 0.05 0.00 0.00 61.00 62.50 3kd2 s PRO 155 Cb 0.00 -2.77 -0.10 0.00 0.05 0.00 0.00 34.50 31.68 3kd2 s PRO 155 CO 0.00 -0.14 1.44 0.42 0.05 0.00 0.00 177.00 178.76 3kd2 s ILE 156 N -1.41 2.75 -0.24 0.56 1.01 -1.26 -4.75 121.20 117.86 3kd2 s ILE 156 Ca 0.54 0.61 -0.28 0.00 0.00 0.00 0.00 60.65 61.52 3kd2 s ILE 156 Cb -0.29 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 3kd2 s ILE 156 CO 0.37 0.09 2.24 -2.65 0.00 0.00 0.00 174.94 174.98 3kd2 n PRO 157 N 2.65 1.86 -2.07 2.79 -0.02 -1.26 -4.89 135.00 134.05 3kd2 n PRO 157 Ca 0.08 0.49 -0.04 0.00 -2.02 0.00 0.00 63.50 62.01 3kd2 n PRO 157 Cb 0.40 -3.20 -0.00 0.00 -0.02 0.00 0.00 33.50 30.68 3kd2 n PRO 157 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kd2 n ASP 158 N 11.80 -0.49 0.33 2.55 5.68 -1.26 -4.36 116.55 130.80 3kd2 n ASP 158 Ca 0.31 -1.51 0.21 0.00 -0.50 0.00 0.00 54.79 53.30 3kd2 n ASP 158 Cb 0.44 0.87 1.14 0.00 -1.14 0.00 0.00 41.12 42.43 3kd2 n ASP 158 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kd2 h ALA 159 N 1.76 1.12 -0.32 2.12 0.00 -1.91 -2.37 119.26 119.67 3kd2 h ALA 159 Ca -0.08 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3kd2 h ALA 159 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kd2 h ALA 159 CO 0.11 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.54 3kd2 h ARG 160 N 0.00 0.10 0.00 0.00 3.08 -1.96 -1.79 114.38 113.81 3kd2 h ARG 160 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kd2 h ARG 160 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3kd2 h ARG 160 CO -0.00 0.07 0.00 -0.84 -1.07 0.00 0.00 179.97 178.13 3kd2 h ILE 161 N 0.11 0.00 -0.00 2.04 3.07 -1.77 -1.56 117.51 119.40 3kd2 h ILE 161 Ca 0.15 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.26 3kd2 h ILE 161 Cb 0.44 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 3kd2 h ILE 161 CO -0.02 0.00 -0.00 -1.22 -1.05 0.00 0.00 178.15 175.86 3kd2 n TYR 162 N -3.03 0.00 0.23 0.16 4.01 -0.67 -3.38 117.16 114.48 3kd2 n TYR 162 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 3kd2 n TYR 162 Cb 0.21 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 3kd2 n TYR 162 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kd2 n ARG 163 N -1.03 0.51 -1.86 -0.72 1.74 -0.59 -4.94 116.66 109.78 3kd2 n ARG 163 Ca 0.22 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.80 3kd2 n ARG 163 Cb 0.13 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 3kd2 n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kd2 s PHE 164 N -3.38 2.74 0.42 -1.55 0.08 -1.22 -4.97 117.98 110.11 3kd2 s PHE 164 Ca -0.03 1.06 -0.22 0.00 0.12 0.00 0.00 56.93 57.86 3kd2 s PHE 164 Cb 0.14 -3.97 -0.10 0.00 -0.57 0.00 0.00 43.02 38.51 3kd2 s PHE 164 CO 0.87 -3.00 0.98 -1.25 -0.10 0.00 0.00 175.22 172.72 3kd2 s PRO 165 N -1.39 4.20 0.38 0.24 0.04 -1.26 -4.96 135.00 132.24 3kd2 s PRO 165 Ca 0.56 1.27 0.20 0.00 0.04 0.00 0.00 61.00 63.07 3kd2 s PRO 165 Cb -0.46 -2.33 0.58 0.00 0.04 0.00 0.00 34.50 32.34 3kd2 s PRO 165 CO 0.55 -0.07 1.68 0.00 0.04 0.00 0.00 177.00 179.20 3kd2 h ALA 166 N 2.15 0.91 -2.24 8.56 0.00 -1.97 -3.43 119.26 123.24 3kd2 h ALA 166 Ca -0.49 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 3kd2 h ALA 166 Cb 1.20 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 3kd2 h ALA 166 CO 0.61 0.41 0.01 0.12 0.00 0.00 0.00 179.25 180.40 3kd2 s PHE 167 N -3.41 -0.46 0.24 0.00 5.36 -1.26 -4.34 117.98 114.11 3kd2 s PHE 167 Ca 0.02 0.75 0.06 0.00 -0.96 0.00 0.00 56.93 56.79 3kd2 s PHE 167 Cb 0.09 0.29 -0.05 0.00 -0.34 0.00 0.00 43.02 43.01 3kd2 s PHE 167 CO 0.68 -0.54 -0.07 0.95 -1.46 0.00 0.00 175.22 174.79 3kd2 s THR 168 N -1.38 1.45 -1.37 0.12 -4.23 -0.83 -4.89 115.64 104.52 3kd2 s THR 168 Ca -0.11 -2.11 0.09 0.00 -1.18 0.00 0.00 61.69 58.37 3kd2 s THR 168 Cb -0.02 -2.28 0.14 0.00 1.34 0.00 0.00 72.50 71.68 3kd2 s THR 168 CO 0.07 -0.41 1.16 0.00 -0.54 0.00 0.00 174.62 174.90 3kd2 n ALA 169 N -0.46 1.55 0.61 3.99 0.00 -1.26 -1.73 120.51 123.21 3kd2 n ALA 169 Ca -0.06 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.41 3kd2 n ALA 169 Cb 0.63 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.95 3kd2 n ALA 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kd2 n GLN 170 N -1.32 1.66 0.00 0.00 3.00 -1.26 -5.10 117.38 114.35 3kd2 n GLN 170 Ca 0.04 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 3kd2 n GLN 170 Cb 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 29.10 3kd2 n GLN 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kd2 n GLY 171 N 1.00 0.32 3.69 1.08 0.00 -0.71 -5.07 105.19 105.51 3kd2 n GLY 171 Ca 0.06 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3kd2 n GLY 171 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kd2 n GLU 172 N 0.00 2.15 -2.12 1.61 0.28 -1.26 -1.96 120.64 119.34 3kd2 n GLU 172 Ca 0.00 0.76 -0.28 0.00 -0.16 0.00 0.00 57.16 57.48 3kd2 n GLU 172 Cb 0.00 -2.37 0.14 0.00 1.43 0.00 0.00 31.44 30.64 3kd2 n GLU 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3kd2 s SER 173 N -0.10 3.84 0.11 -1.84 1.04 -1.26 -4.77 113.70 110.72 3kd2 s SER 173 Ca 0.59 0.22 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 3kd2 s SER 173 Cb -0.58 -0.49 -0.05 0.00 0.10 0.00 0.00 66.02 65.00 3kd2 s SER 173 CO 0.58 -2.25 1.54 -0.07 0.98 0.00 0.00 173.24 174.02 3kd2 h LEU 174 N -1.15 0.61 -2.99 2.42 3.38 -1.94 -3.37 115.31 112.27 3kd2 h LEU 174 Ca -0.43 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 3kd2 h LEU 174 Cb 1.27 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 3kd2 h LEU 174 CO 0.46 0.78 -0.61 1.33 0.09 0.00 0.00 178.44 180.49 3kd2 n VAL 175 N -4.49 1.65 0.31 1.22 0.24 -1.26 -4.66 118.33 111.33 3kd2 n VAL 175 Ca -0.02 -2.64 0.17 0.00 -2.04 0.00 0.00 64.34 59.81 3kd2 n VAL 175 Cb 0.29 0.06 0.99 0.00 -1.47 0.00 0.00 33.84 33.71 3kd2 n VAL 175 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3kd2 h TRP 176 N 0.95 0.00 0.00 6.34 5.08 -1.84 -1.60 115.95 124.88 3kd2 h TRP 176 Ca -0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.92 3kd2 h TRP 176 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3kd2 h TRP 176 CO 0.59 0.00 0.00 1.12 -1.28 0.00 0.00 178.44 178.87 3kd2 h HIS 177 N 0.00 0.00 -0.63 0.12 2.07 -1.90 -2.08 115.15 112.73 3kd2 h HIS 177 Ca -0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 3kd2 h HIS 177 Cb 0.01 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.92 3kd2 h HIS 177 CO 0.00 0.00 0.26 0.74 -3.07 0.00 0.00 177.93 175.86 3kd2 h PHE 178 N 0.00 0.46 -0.05 6.12 -1.00 -1.66 0.16 116.94 120.97 3kd2 h PHE 178 Ca 0.00 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.66 3kd2 h PHE 178 Cb 0.28 -0.11 0.01 0.00 3.61 0.00 0.00 35.95 39.74 3kd2 h PHE 178 CO 0.00 0.14 -0.57 0.77 -1.61 0.00 0.00 178.31 177.04 3kd2 h SER 179 N 0.46 0.58 -0.31 2.17 0.02 -1.57 -2.14 113.55 112.76 3kd2 h SER 179 Ca 0.31 -0.70 0.05 0.00 -0.84 0.00 0.00 61.79 60.61 3kd2 h SER 179 Cb 0.36 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 3kd2 h SER 179 CO -0.29 1.20 0.02 0.15 -1.14 0.00 0.00 176.83 176.78 3kd2 h PHE 180 N 0.02 0.03 -0.06 3.45 3.57 -1.32 -1.21 116.94 121.43 3kd2 h PHE 180 Ca -0.06 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.31 3kd2 h PHE 180 Cb 1.24 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 3kd2 h PHE 180 CO 0.13 -0.02 -0.67 0.74 -2.23 0.00 0.00 178.31 176.26 3kd2 h PHE 181 N 0.12 0.32 0.00 0.41 0.04 -0.76 -3.20 116.94 113.87 3kd2 h PHE 181 Ca 0.15 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3kd2 h PHE 181 Cb 0.18 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3kd2 h PHE 181 CO -0.21 0.83 -0.22 0.00 -0.60 0.00 0.00 178.31 178.11 3kd2 h ALA 182 N 1.13 0.86 -2.76 2.45 0.00 -1.15 -3.40 119.26 116.40 3kd2 h ALA 182 Ca -0.01 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 3kd2 h ALA 182 Cb 1.20 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.15 3kd2 h ALA 182 CO 0.10 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.48 3kd2 n ALA 183 N -1.88 0.17 -1.24 0.00 0.00 -0.48 -4.67 120.51 112.41 3kd2 n ALA 183 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3kd2 n ALA 183 Cb 0.46 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3kd2 n ALA 183 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kd2 n ASP 184 N -0.50 0.00 -0.86 0.00 5.75 -1.26 -4.29 116.55 115.39 3kd2 n ASP 184 Ca 0.13 -0.35 -0.11 0.00 -0.01 0.00 0.00 54.79 54.45 3kd2 n ASP 184 Cb 0.46 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 3kd2 n ASP 184 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kd2 n ASP 185 N -1.05 -5.31 -4.17 -1.12 8.00 -1.26 -1.74 116.55 109.90 3kd2 n ASP 185 Ca 0.00 0.28 -0.32 0.00 0.71 0.00 0.00 54.79 55.45 3kd2 n ASP 185 Cb 0.00 -3.79 -0.04 0.00 -0.02 0.00 0.00 41.12 37.27 3kd2 n ASP 185 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kd2 n ARG 186 N -1.39 -2.66 -0.02 -1.24 1.74 -1.26 -4.86 116.66 106.96 3kd2 n ARG 186 Ca -0.11 0.32 -0.09 0.00 -0.77 0.00 0.00 57.85 57.20 3kd2 n ARG 186 Cb 0.53 -4.63 -0.02 0.00 -1.02 0.00 0.00 32.46 27.31 3kd2 n ARG 186 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kd2 h LEU 187 N -1.61 -0.70 0.12 0.55 5.85 -1.52 -1.37 115.31 116.63 3kd2 h LEU 187 Ca -0.62 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3kd2 h LEU 187 Cb 1.38 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3kd2 h LEU 187 CO 0.73 -0.26 -0.06 0.00 -0.34 0.00 0.00 178.44 178.50 3kd2 h ALA 188 N 0.78 -0.16 -0.76 1.25 0.00 -1.86 -1.78 119.26 116.72 3kd2 h ALA 188 Ca 0.12 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3kd2 h ALA 188 Cb 0.43 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3kd2 h ALA 188 CO -0.33 -0.54 0.47 0.93 0.00 0.00 0.00 179.25 179.78 3kd2 h GLU 189 N -0.26 0.87 -0.54 0.00 3.07 -1.88 -0.41 114.58 115.41 3kd2 h GLU 189 Ca -0.02 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.68 3kd2 h GLU 189 Cb 0.21 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3kd2 h GLU 189 CO 0.03 0.58 -0.11 1.15 -1.40 0.00 0.00 179.01 179.25 3kd2 h THR 190 N 0.90 1.27 0.00 1.13 2.02 -1.09 0.33 112.91 117.47 3kd2 h THR 190 Ca 0.32 -1.27 -0.20 0.00 0.77 0.00 0.00 66.41 66.03 3kd2 h THR 190 Cb 0.08 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3kd2 h THR 190 CO -0.14 0.45 -0.87 -0.07 0.37 0.00 0.00 175.52 175.27 3kd2 h LEU 191 N 0.91 0.25 0.00 2.58 3.38 -1.12 -3.35 115.31 117.97 3kd2 h LEU 191 Ca 0.14 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 3kd2 h LEU 191 Cb 0.68 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3kd2 h LEU 191 CO 0.05 1.00 -1.58 -0.38 0.09 0.00 0.00 178.44 177.62 3kd2 n ILE 192 N -3.66 1.22 -1.64 1.22 5.41 -0.18 -4.77 119.36 116.96 3kd2 n ILE 192 Ca -0.03 -0.72 -0.48 0.00 1.00 0.00 0.00 62.75 62.52 3kd2 n ILE 192 Cb 0.80 -0.73 -0.05 0.00 -0.71 0.00 0.00 39.64 38.95 3kd2 n ILE 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kd2 n ALA 193 N -2.45 0.53 -0.13 -1.39 0.00 0.09 -0.04 120.51 117.13 3kd2 n ALA 193 Ca -0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kd2 n ALA 193 Cb 0.89 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3kd2 n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd2 n GLY 194 N 3.05 1.81 1.21 0.00 0.00 -1.26 -4.80 105.19 105.21 3kd2 n GLY 194 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 3kd2 n GLY 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kd2 n LYS 195 N -2.00 0.38 -0.12 1.61 4.76 0.94 -4.91 118.16 118.82 3kd2 n LYS 195 Ca 0.00 -2.25 -0.09 0.00 -2.87 0.00 0.00 58.31 53.10 3kd2 n LYS 195 Cb 0.00 -0.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.76 3kd2 n LYS 195 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kd2 h GLU 196 N 0.92 0.54 -0.12 1.97 3.07 -1.75 -0.71 114.58 118.51 3kd2 h GLU 196 Ca -0.16 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 3kd2 h GLU 196 Cb 1.65 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.47 3kd2 h GLU 196 CO 0.07 0.52 0.06 -0.09 -1.40 0.00 0.00 179.01 178.17 3kd2 h ARG 197 N 0.44 0.16 -0.37 2.33 9.65 -1.90 -0.82 114.38 123.89 3kd2 h ARG 197 Ca 0.12 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.02 3kd2 h ARG 197 Cb 0.18 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 3kd2 h ARG 197 CO -0.01 0.19 0.15 0.35 2.80 0.00 0.00 179.97 183.45 3kd2 h PHE 198 N 0.10 0.27 -0.21 2.20 3.57 -1.89 -1.42 116.94 119.56 3kd2 h PHE 198 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3kd2 h PHE 198 Cb 0.07 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3kd2 h PHE 198 CO -0.04 0.13 -0.07 0.35 -2.23 0.00 0.00 178.31 176.44 3kd2 h PHE 199 N 0.32 0.47 -0.87 0.41 3.57 -1.03 -2.60 116.94 117.21 3kd2 h PHE 199 Ca 0.16 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kd2 h PHE 199 Cb 0.11 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3kd2 h PHE 199 CO -0.13 0.68 0.51 1.25 -2.23 0.00 0.00 178.31 178.39 3kd2 h LEU 200 N 0.13 1.06 -0.38 0.59 5.85 -1.03 0.10 115.31 121.64 3kd2 h LEU 200 Ca 0.05 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kd2 h LEU 200 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3kd2 h LEU 200 CO 0.02 0.83 0.23 -0.08 -0.34 0.00 0.00 178.44 179.11 3kd2 h GLU 201 N 1.21 0.51 -0.44 1.25 4.81 -1.23 0.21 114.58 120.90 3kd2 h GLU 201 Ca 0.31 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3kd2 h GLU 201 Cb -0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3kd2 h GLU 201 CO -0.06 0.37 0.19 1.25 -0.73 0.00 0.00 179.01 180.03 3kd2 h HIS 202 N 0.50 0.66 -0.28 0.92 2.76 -1.00 -1.74 115.15 116.97 3kd2 h HIS 202 Ca 0.14 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3kd2 h HIS 202 Cb -0.01 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 3kd2 h HIS 202 CO -0.04 0.56 0.12 0.35 -1.30 0.00 0.00 177.93 177.62 3kd2 h PHE 203 N 0.57 0.41 0.02 5.26 3.04 -0.56 0.93 116.94 126.60 3kd2 h PHE 203 Ca 0.15 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 3kd2 h PHE 203 Cb 0.17 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.55 3kd2 h PHE 203 CO -0.00 0.40 -0.01 0.82 -2.02 0.00 0.00 178.31 177.50 3kd2 h ILE 204 N 0.30 1.03 0.00 1.41 2.04 -0.92 -2.82 117.51 118.56 3kd2 h ILE 204 Ca 0.09 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3kd2 h ILE 204 Cb 0.15 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3kd2 h ILE 204 CO -0.01 0.04 -0.43 0.11 0.00 0.00 0.00 178.15 177.86 3kd2 h LYS 205 N -0.09 0.00 0.00 2.37 1.57 -1.19 -1.89 116.57 117.35 3kd2 h LYS 205 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kd2 h LYS 205 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kd2 h LYS 205 CO 0.00 0.43 0.00 0.66 -0.57 0.00 0.00 179.45 179.97 3kd2 h SER 206 N 0.00 0.00 -0.22 0.86 4.64 -0.71 -2.76 113.55 115.35 3kd2 h SER 206 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kd2 h SER 206 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3kd2 h SER 206 CO 0.06 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.43 3kd2 n HIS 207 N -2.67 0.57 -4.27 4.77 8.25 -0.77 -4.63 115.22 116.48 3kd2 n HIS 207 Ca 0.02 -0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 56.45 3kd2 n HIS 207 Cb 0.31 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 3kd2 n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kd2 s ALA 208 N -2.11 2.88 -0.25 -1.41 0.00 -0.85 -0.90 121.76 119.12 3kd2 s ALA 208 Ca 0.31 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 3kd2 s ALA 208 Cb 0.23 -0.78 -0.17 0.00 0.00 0.00 0.00 23.12 22.41 3kd2 s ALA 208 CO 0.09 0.57 -0.18 0.43 0.00 0.00 0.00 175.76 176.67 3kd2 n SER 209 N 0.48 1.99 -4.27 0.00 7.64 -1.13 -4.61 113.62 113.71 3kd2 n SER 209 Ca -0.13 0.05 -0.44 0.00 1.01 0.00 0.00 58.87 59.36 3kd2 n SER 209 Cb 0.54 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 3kd2 n SER 209 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3kd2 s ASN 210 N -6.85 6.12 0.15 6.43 2.47 -1.26 -4.91 114.94 117.09 3kd2 s ASN 210 Ca -0.34 -2.09 0.15 0.00 0.42 0.00 0.00 52.86 51.00 3kd2 s ASN 210 Cb 0.10 -2.13 -0.07 0.00 -1.45 0.00 0.00 41.25 37.70 3kd2 s ASN 210 CO 0.59 -0.72 1.10 0.71 -3.72 0.00 0.00 177.10 175.06 3kd2 h THR 211 N 5.67 0.75 -0.00 -5.21 1.35 -1.94 -3.36 112.91 110.18 3kd2 h THR 211 Ca -0.17 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 3kd2 h THR 211 Cb 1.07 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.75 3kd2 h THR 211 CO 0.91 0.43 0.00 -0.33 -0.25 0.00 0.00 175.52 176.27 3kd2 h GLU 212 N 0.00 0.00 0.00 4.72 4.39 -2.02 -1.20 114.58 120.47 3kd2 h GLU 212 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3kd2 h GLU 212 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3kd2 h GLU 212 CO 0.06 0.00 0.00 1.55 -1.16 0.00 0.00 179.01 179.46 3kd2 n VAL 213 N -3.53 0.77 -3.19 3.13 3.14 -1.26 -4.26 118.33 113.13 3kd2 n VAL 213 Ca -0.03 0.11 -0.45 0.00 -2.96 0.00 0.00 64.34 61.01 3kd2 n VAL 213 Cb 0.08 -1.03 -0.01 0.00 -1.06 0.00 0.00 33.84 31.81 3kd2 n VAL 213 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3kd2 s PHE 214 N -3.27 3.71 0.93 1.45 0.08 -0.46 -5.00 117.98 115.43 3kd2 s PHE 214 Ca 0.06 -2.05 -0.11 0.00 0.12 0.00 0.00 56.93 54.94 3kd2 s PHE 214 Cb 0.10 -4.00 0.15 0.00 -0.57 0.00 0.00 43.02 38.70 3kd2 s PHE 214 CO 0.44 -1.15 1.09 -1.54 -0.10 0.00 0.00 175.22 173.96 3kd2 s SER 215 N 2.38 3.07 0.35 1.36 1.04 -1.26 -4.79 113.70 115.85 3kd2 s SER 215 Ca 0.28 1.60 0.04 0.00 0.48 0.00 0.00 55.95 58.35 3kd2 s SER 215 Cb -0.08 -2.26 0.65 0.00 0.10 0.00 0.00 66.02 64.43 3kd2 s SER 215 CO -0.08 -2.91 1.94 -0.08 0.98 0.00 0.00 173.24 173.10 3kd2 h GLU 216 N -1.74 0.63 0.14 4.02 4.81 -1.96 -1.23 114.58 119.25 3kd2 h GLU 216 Ca -0.50 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 3kd2 h GLU 216 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3kd2 h GLU 216 CO 0.52 0.53 -0.07 -0.09 -0.73 0.00 0.00 179.01 179.17 3kd2 h ARG 217 N 0.63 -0.18 -0.55 1.92 9.65 -1.99 0.13 114.38 123.98 3kd2 h ARG 217 Ca 0.15 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 3kd2 h ARG 217 Cb 0.14 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 3kd2 h ARG 217 CO -0.01 -0.12 0.21 1.25 2.80 0.00 0.00 179.97 184.10 3kd2 h LEU 218 N -0.19 0.77 -0.70 3.80 5.85 -1.84 -1.12 115.31 121.89 3kd2 h LEU 218 Ca -0.02 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3kd2 h LEU 218 Cb 0.15 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3kd2 h LEU 218 CO 0.03 0.74 0.19 -0.07 -0.34 0.00 0.00 178.44 178.99 3kd2 h LEU 219 N 0.76 1.04 -0.32 2.25 3.38 -1.15 -1.99 115.31 119.27 3kd2 h LEU 219 Ca 0.18 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3kd2 h LEU 219 Cb 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3kd2 h LEU 219 CO -0.01 0.98 -0.02 0.44 0.09 0.00 0.00 178.44 179.92 3kd2 h ASP 220 N 1.04 -0.16 -0.07 -0.43 3.32 -0.33 -0.43 116.42 119.36 3kd2 h ASP 220 Ca 0.22 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3kd2 h ASP 220 Cb 0.34 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3kd2 h ASP 220 CO -0.00 -0.05 0.04 -0.07 -1.72 0.00 0.00 179.24 177.44 3kd2 h LEU 221 N 0.07 0.08 -0.54 1.55 3.38 -0.86 -0.83 115.31 118.16 3kd2 h LEU 221 Ca 0.15 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3kd2 h LEU 221 Cb 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3kd2 h LEU 221 CO -0.27 0.12 0.06 1.88 0.09 0.00 0.00 178.44 180.32 3kd2 h TYR 222 N 0.04 0.98 -0.50 1.13 0.05 -1.26 -2.63 116.97 114.78 3kd2 h TYR 222 Ca 0.02 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 3kd2 h TYR 222 Cb 0.05 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 3kd2 h TYR 222 CO -0.05 0.88 0.18 0.00 -1.05 0.00 0.00 178.16 178.12 3kd2 h ALA 223 N 0.98 0.65 -0.87 3.88 0.00 -0.94 -2.22 119.26 120.74 3kd2 h ALA 223 Ca 0.16 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kd2 h ALA 223 Cb 0.44 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3kd2 h ALA 223 CO 0.02 0.28 0.56 0.00 0.00 0.00 0.00 179.25 180.10 3kd2 h ARG 224 N 0.67 1.03 0.49 0.00 -0.00 -1.08 -1.60 114.38 113.89 3kd2 h ARG 224 Ca 0.16 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.56 3kd2 h ARG 224 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 29.97 3kd2 h ARG 224 CO -0.01 0.68 -0.24 1.03 0.00 0.00 0.00 179.97 181.44 3kd2 h SER 225 N 1.06 -0.56 0.62 7.04 0.87 -1.14 -3.18 113.55 118.27 3kd2 h SER 225 Ca 0.36 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3kd2 h SER 225 Cb 0.05 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3kd2 h SER 225 CO -0.13 -0.20 0.00 0.00 -0.53 0.00 0.00 176.83 175.96 3kd2 n TYR 226 N -5.27 0.00 0.42 2.24 -0.00 -0.86 -2.58 117.16 111.11 3kd2 n TYR 226 Ca -0.11 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.92 3kd2 n TYR 226 Cb 0.31 -0.42 0.30 0.00 -0.00 0.00 0.00 39.34 39.53 3kd2 n TYR 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kd2 h ALA 227 N 2.85 1.00 -2.05 -3.48 0.00 -1.26 -1.92 119.26 114.40 3kd2 h ALA 227 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3kd2 h ALA 227 Cb 0.31 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.15 3kd2 h ALA 227 CO 0.00 0.00 0.74 1.63 0.00 0.00 0.00 179.25 181.62 3kd2 n LYS 228 N -2.69 1.83 -0.29 0.00 5.02 -1.06 -4.70 118.16 116.26 3kd2 n LYS 228 Ca 0.05 0.66 0.09 0.00 -2.02 0.00 0.00 58.31 57.09 3kd2 n LYS 228 Cb 0.47 -2.40 0.25 0.00 -0.02 0.00 0.00 35.03 33.33 3kd2 n LYS 228 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kd2 h PRO 229 N 5.97 0.50 0.00 1.97 0.11 -1.92 0.27 132.00 138.90 3kd2 h PRO 229 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3kd2 h PRO 229 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kd2 h PRO 229 CO 0.87 0.33 -0.35 1.12 -0.21 0.00 0.00 178.00 179.76 3kd2 h HIS 230 N 0.51 0.00 0.16 0.65 2.07 -1.92 -1.99 115.15 114.64 3kd2 h HIS 230 Ca 0.49 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.71 3kd2 h HIS 230 Cb 0.81 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.81 3kd2 h HIS 230 CO -0.12 0.35 -1.31 0.77 -3.07 0.00 0.00 177.93 174.55 3kd2 h SER 231 N 0.00 0.72 -0.26 3.10 0.02 -0.72 -0.80 113.55 115.61 3kd2 h SER 231 Ca -0.00 -0.72 -0.00 0.00 -0.84 0.00 0.00 61.79 60.22 3kd2 h SER 231 Cb 0.85 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3kd2 h SER 231 CO 0.05 1.55 0.15 0.25 -1.14 0.00 0.00 176.83 177.68 3kd2 h LEU 232 N 0.17 0.33 -0.18 5.07 5.85 0.19 0.25 115.31 126.99 3kd2 h LEU 232 Ca -0.19 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3kd2 h LEU 232 Cb 2.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 3kd2 h LEU 232 CO 0.24 0.31 0.07 -1.13 -0.34 0.00 0.00 178.44 177.59 3kd2 h ASN 233 N 0.32 0.25 -0.55 1.25 -0.73 -1.44 -3.06 115.58 111.62 3kd2 h ASN 233 Ca 0.09 -0.16 0.09 0.00 1.87 0.00 0.00 56.30 58.19 3kd2 h ASN 233 Cb 0.05 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 38.51 3kd2 h ASN 233 CO -0.02 0.33 0.18 0.00 -0.37 0.00 0.00 177.43 177.56 3kd2 h ALA 234 N 0.92 0.68 -0.75 1.57 0.00 -0.96 -0.91 119.26 119.81 3kd2 h ALA 234 Ca 0.06 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.23 3kd2 h ALA 234 Cb 0.16 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 3kd2 h ALA 234 CO -0.01 -0.23 0.00 0.77 0.00 0.00 0.00 179.25 179.78 3kd2 h SER 235 N 0.34 -0.36 1.24 0.00 0.02 -0.84 -2.09 113.55 111.86 3kd2 h SER 235 Ca 0.28 0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 61.36 3kd2 h SER 235 Cb 0.34 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3kd2 h SER 235 CO -0.30 -0.18 -0.79 -0.26 -1.14 0.00 0.00 176.83 174.16 3kd2 h PHE 236 N 0.10 0.00 0.00 3.45 0.04 -1.32 -3.25 116.94 115.95 3kd2 h PHE 236 Ca 0.41 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.15 3kd2 h PHE 236 Cb 0.72 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 3kd2 h PHE 236 CO -0.43 0.26 -0.14 0.93 -0.60 0.00 0.00 178.31 178.33 3kd2 h GLU 237 N 0.00 0.00 -0.52 1.51 4.39 -0.49 -0.54 114.58 118.93 3kd2 h GLU 237 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kd2 h GLU 237 Cb 1.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 3kd2 h GLU 237 CO 0.03 0.14 0.32 1.88 -1.16 0.00 0.00 179.01 180.22 3kd2 h TYR 238 N 0.00 0.67 0.01 4.33 0.05 -1.55 -1.98 116.97 118.50 3kd2 h TYR 238 Ca -0.00 0.01 -0.24 0.00 0.05 0.00 0.00 58.73 58.55 3kd2 h TYR 238 Cb 0.26 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 3kd2 h TYR 238 CO 0.00 0.44 -1.19 1.88 -1.05 0.00 0.00 178.16 178.24 3kd2 h TYR 239 N 0.71 0.05 0.00 4.88 0.05 -1.33 -2.99 116.97 118.33 3kd2 h TYR 239 Ca 0.19 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3kd2 h TYR 239 Cb -0.04 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.70 3kd2 h TYR 239 CO 0.00 1.03 0.00 0.00 -1.05 0.00 0.00 178.16 178.14 3kd2 h ARG 240 N 0.01 0.00 -0.13 4.88 3.08 -0.82 -2.06 114.38 119.34 3kd2 h ARG 240 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kd2 h ARG 240 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.89 3kd2 h ARG 240 CO 0.12 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 3kd2 n ALA 241 N -1.91 2.44 -0.09 0.04 0.00 -0.78 -4.66 120.51 115.56 3kd2 n ALA 241 Ca 0.01 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.60 3kd2 n ALA 241 Cb 0.23 -0.72 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 3kd2 n ALA 241 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kd2 h LEU 242 N 4.01 0.23 -1.09 0.00 5.85 -1.22 -0.21 115.31 122.88 3kd2 h LEU 242 Ca 0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3kd2 h LEU 242 Cb 0.87 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3kd2 h LEU 242 CO 0.00 0.17 0.19 0.78 -0.34 0.00 0.00 178.44 179.24 3kd2 h ASN 243 N 0.33 0.77 -0.75 1.25 -0.26 -1.83 -0.08 115.58 115.01 3kd2 h ASN 243 Ca 0.13 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.71 3kd2 h ASN 243 Cb 0.04 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 3kd2 h ASN 243 CO -0.09 0.72 0.30 -0.08 -1.06 0.00 0.00 177.43 177.21 3kd2 h GLU 244 N 0.82 1.13 -0.70 0.81 4.81 -1.71 -1.45 114.58 118.29 3kd2 h GLU 244 Ca 0.19 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3kd2 h GLU 244 Cb 0.22 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3kd2 h GLU 244 CO -0.01 0.92 0.22 0.77 -0.73 0.00 0.00 179.01 180.18 3kd2 h SER 245 N 1.10 1.01 -0.34 1.04 0.02 -0.11 0.12 113.55 116.40 3kd2 h SER 245 Ca 0.25 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3kd2 h SER 245 Cb 0.22 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3kd2 h SER 245 CO -0.02 0.95 0.16 0.58 -1.14 0.00 0.00 176.83 177.35 3kd2 h VAL 246 N 1.02 0.97 -0.70 2.27 2.07 -0.71 0.88 116.25 122.05 3kd2 h VAL 246 Ca 0.23 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 3kd2 h VAL 246 Cb 0.29 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3kd2 h VAL 246 CO -0.01 0.06 0.33 0.03 0.02 0.00 0.00 177.57 178.00 3kd2 h ARG 247 N 0.33 1.01 -0.35 1.57 3.08 -0.92 -1.62 114.38 117.47 3kd2 h ARG 247 Ca 0.14 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3kd2 h ARG 247 Cb 0.07 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3kd2 h ARG 247 CO -0.11 0.80 0.22 1.96 -1.07 0.00 0.00 179.97 181.77 3kd2 h GLN 248 N 0.97 0.44 0.00 0.04 4.20 -0.58 -3.04 115.11 117.14 3kd2 h GLN 248 Ca 0.24 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 3kd2 h GLN 248 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3kd2 h GLN 248 CO -0.03 0.29 -0.28 -0.91 -0.67 0.00 0.00 178.83 177.24 3kd2 h ASN 249 N 0.46 0.00 -0.11 1.46 2.35 -0.48 -2.51 115.58 116.75 3kd2 h ASN 249 Ca 0.13 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3kd2 h ASN 249 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3kd2 h ASN 249 CO -0.04 0.28 0.04 0.00 -1.65 0.00 0.00 177.43 176.05 3kd2 h ALA 250 N 1.72 1.75 0.07 -0.83 0.00 -1.18 0.11 119.26 120.91 3kd2 h ALA 250 Ca -0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3kd2 h ALA 250 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kd2 h ALA 250 CO 0.04 0.20 -0.68 0.93 0.00 0.00 0.00 179.25 179.73 3kd2 h GLU 251 N 0.24 0.16 -0.11 0.00 4.39 -1.55 -3.36 114.58 114.34 3kd2 h GLU 251 Ca 0.06 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 3kd2 h GLU 251 Cb 0.10 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3kd2 h GLU 251 CO -0.00 1.13 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.88 3kd2 h LEU 252 N -0.64 0.15 0.00 1.33 3.38 -1.19 -2.73 115.31 115.60 3kd2 h LEU 252 Ca -0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kd2 h LEU 252 Cb 1.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3kd2 h LEU 252 CO 0.05 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3kd2 n ALA 253 N -2.51 2.06 0.31 1.53 0.00 0.37 -2.41 120.51 119.87 3kd2 n ALA 253 Ca -0.01 -0.10 0.16 0.00 0.00 0.00 0.00 53.44 53.50 3kd2 n ALA 253 Cb 0.17 -1.31 0.73 0.00 0.00 0.00 0.00 19.45 19.04 3kd2 n ALA 253 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kd2 h LYS 254 N 0.00 0.00 -4.84 0.00 1.57 -1.69 -3.38 116.57 108.23 3kd2 h LYS 254 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3kd2 h LYS 254 Cb 0.12 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.17 3kd2 h LYS 254 CO 0.00 0.00 -0.63 0.99 -0.57 0.00 0.00 179.45 179.24 3kd2 s THR 255 N -3.66 3.92 0.51 -0.16 2.01 -1.01 -5.10 115.64 112.15 3kd2 s THR 255 Ca 0.00 -0.63 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 3kd2 s THR 255 Cb 0.09 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.55 3kd2 s THR 255 CO 0.45 0.14 1.07 -0.13 -0.69 0.00 0.00 174.62 175.47 3kd2 s ARG 256 N 1.50 3.61 0.15 4.92 1.81 -1.26 -5.01 118.95 124.67 3kd2 s ARG 256 Ca 0.03 1.45 -0.30 0.00 -1.72 0.00 0.00 55.73 55.20 3kd2 s ARG 256 Cb -0.17 -2.06 -0.07 0.00 -0.45 0.00 0.00 34.95 32.21 3kd2 s ARG 256 CO 0.02 -0.61 1.04 -0.51 -0.68 0.00 0.00 175.30 174.56 3kd2 s LEU 257 N -3.64 4.50 -0.00 2.53 1.43 0.26 -4.96 118.68 118.79 3kd2 s LEU 257 Ca 0.69 1.96 0.10 0.00 -1.03 0.00 0.00 54.13 55.85 3kd2 s LEU 257 Cb -0.19 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.31 3kd2 s LEU 257 CO 0.23 -0.14 0.34 0.00 0.23 0.00 0.00 176.35 177.01 3kd2 n GLN 258 N 2.52 2.53 -2.42 1.70 1.13 -1.26 -1.71 117.38 119.86 3kd2 n GLN 258 Ca 0.02 -0.03 -0.33 0.00 -1.94 0.00 0.00 57.00 54.72 3kd2 n GLN 258 Cb 0.47 -1.06 -0.03 0.00 0.11 0.00 0.00 30.24 29.73 3kd2 n GLN 258 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kd2 s MET 259 N -2.20 3.86 0.15 -1.09 0.23 -1.26 -4.71 119.30 114.28 3kd2 s MET 259 Ca 0.01 1.08 -0.34 0.00 -1.03 0.00 0.00 55.69 55.41 3kd2 s MET 259 Cb 0.07 -2.12 -0.14 0.00 -1.53 0.00 0.00 34.83 31.11 3kd2 s MET 259 CO 0.40 -0.35 1.58 -2.30 -2.03 0.00 0.00 175.02 172.33 3kd2 n PRO 260 N -1.42 2.13 -4.40 3.16 -0.02 -1.26 -4.58 135.00 128.61 3kd2 n PRO 260 Ca 0.07 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 62.12 3kd2 n PRO 260 Cb 0.54 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 3kd2 n PRO 260 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kd2 s THR 261 N 1.01 1.15 -0.02 3.45 2.01 -0.00 -1.14 115.64 122.09 3kd2 s THR 261 Ca 0.79 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.84 3kd2 s THR 261 Cb -0.68 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.79 3kd2 s THR 261 CO 0.38 0.04 -0.10 -0.32 -0.69 0.00 0.00 174.62 173.93 3kd2 s MET 262 N -1.08 1.03 0.02 4.92 1.75 0.34 -1.69 119.30 124.59 3kd2 s MET 262 Ca 0.02 -0.36 0.04 0.00 -1.25 0.00 0.00 55.69 54.14 3kd2 s MET 262 Cb -0.08 -0.96 -0.03 0.00 2.84 0.00 0.00 34.83 36.60 3kd2 s MET 262 CO 0.01 0.16 -0.09 0.95 -0.65 0.00 0.00 175.02 175.40 3kd2 s THR 263 N 0.05 3.43 0.03 10.11 -4.23 -0.37 -1.57 115.64 123.10 3kd2 s THR 263 Ca -0.01 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.66 3kd2 s THR 263 Cb -0.08 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 3kd2 s THR 263 CO 0.00 0.36 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.50 3kd2 s LEU 264 N -1.48 2.15 0.00 4.79 1.43 -0.74 -1.01 118.68 123.82 3kd2 s LEU 264 Ca 0.17 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3kd2 s LEU 264 Cb -0.11 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.27 3kd2 s LEU 264 CO 0.07 0.13 0.32 0.00 0.23 0.00 0.00 176.35 177.10 3kd2 s ALA 265 N -0.76 -0.78 0.23 4.21 0.00 -0.60 -2.32 121.76 121.74 3kd2 s ALA 265 Ca 0.06 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 3kd2 s ALA 265 Cb -0.08 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.09 3kd2 s ALA 265 CO 0.01 -0.30 0.97 0.20 0.00 0.00 0.00 175.76 176.64 3kd2 s GLY 266 N -1.51 3.09 0.00 0.00 0.00 -1.25 -0.24 107.32 107.42 3kd2 s GLY 266 Ca -0.11 0.67 0.23 0.00 0.00 0.00 0.00 44.72 45.50 3kd2 s GLY 266 CO 0.02 1.28 1.15 0.61 0.00 0.00 0.00 173.10 176.17 3kd2 n GLY 267 N 1.54 -0.70 0.92 0.20 0.00 0.15 -1.83 105.19 105.47 3kd2 n GLY 267 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 3kd2 n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd2 n GLY 268 N 1.45 1.08 3.65 -0.02 0.00 0.87 -4.66 105.19 107.56 3kd2 n GLY 268 Ca 0.07 -2.02 -0.47 0.00 0.00 0.00 0.00 46.02 43.59 3kd2 n GLY 268 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kd2 n HIS 269 N -1.61 2.14 0.00 1.61 -0.00 -1.26 -1.76 115.22 114.34 3kd2 n HIS 269 Ca 0.04 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 3kd2 n HIS 269 Cb 0.14 -2.50 0.00 0.00 -0.00 0.00 0.00 29.99 27.63 3kd2 n HIS 269 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3kd2 n GLY 270 N 3.25 0.86 3.94 1.57 0.00 -1.26 -2.83 105.19 110.72 3kd2 n GLY 270 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3kd2 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kd2 s GLY 271 N -2.02 1.66 0.09 -0.02 0.00 -0.72 -3.43 107.32 102.88 3kd2 s GLY 271 Ca 0.00 -0.94 0.25 0.00 0.00 0.00 0.00 44.72 44.03 3kd2 s GLY 271 CO 0.00 -0.66 1.45 1.03 0.00 0.00 0.00 173.10 174.92 3kd2 n MET 272 N -2.50 0.20 0.00 2.90 2.00 -1.20 -4.90 117.12 113.61 3kd2 n MET 272 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.83 3kd2 n MET 272 Cb 0.59 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.16 3kd2 n MET 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kd2 n GLY 273 N 1.38 2.80 0.08 3.03 0.00 -0.76 -2.55 105.19 109.17 3kd2 n GLY 273 Ca 0.04 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3kd2 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kd2 n THR 274 N 0.00 0.82 -0.33 2.61 -2.24 -1.26 -3.49 114.28 110.39 3kd2 n THR 274 Ca 0.00 0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.94 3kd2 n THR 274 Cb 0.00 -1.02 0.11 0.00 -2.10 0.00 0.00 70.33 67.33 3kd2 n THR 274 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3kd2 h PHE 275 N 0.00 1.10 0.03 4.78 3.04 -1.93 -2.35 116.94 121.61 3kd2 h PHE 275 Ca 0.00 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.00 3kd2 h PHE 275 Cb 0.37 -0.37 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 3kd2 h PHE 275 CO 0.00 0.64 -0.16 0.37 -2.02 0.00 0.00 178.31 177.14 3kd2 h GLN 276 N 1.14 -0.27 -0.26 1.11 5.75 -1.74 0.01 115.11 120.85 3kd2 h GLN 276 Ca 0.35 0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.80 3kd2 h GLN 276 Cb -0.02 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3kd2 h GLN 276 CO -0.11 -0.18 -0.12 1.25 -2.65 0.00 0.00 178.83 177.01 3kd2 h LEU 277 N -0.28 0.56 -0.81 -2.39 5.85 -1.79 -2.36 115.31 114.08 3kd2 h LEU 277 Ca 0.04 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3kd2 h LEU 277 Cb 0.33 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3kd2 h LEU 277 CO -0.13 0.84 0.51 -0.33 -0.34 0.00 0.00 178.44 178.99 3kd2 h GLU 278 N 0.27 1.09 -0.17 1.25 4.39 -1.21 -0.21 114.58 120.00 3kd2 h GLU 278 Ca 0.06 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3kd2 h GLU 278 Cb 0.63 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3kd2 h GLU 278 CO 0.04 0.75 0.06 0.37 -1.16 0.00 0.00 179.01 179.07 3kd2 h GLN 279 N 1.11 0.26 -0.29 2.33 4.15 -1.02 -3.13 115.11 118.52 3kd2 h GLN 279 Ca 0.29 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.68 3kd2 h GLN 279 Cb -0.08 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3kd2 h GLN 279 CO -0.06 0.35 0.19 1.98 -1.93 0.00 0.00 178.83 179.37 3kd2 h MET 280 N 0.11 0.33 -0.58 1.69 4.05 -0.82 -0.92 114.93 118.79 3kd2 h MET 280 Ca 0.06 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.56 3kd2 h MET 280 Cb 0.20 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3kd2 h MET 280 CO -0.00 0.22 0.39 0.87 0.23 0.00 0.00 176.91 178.62 3kd2 h LYS 281 N 0.34 0.32 0.00 0.39 1.57 -1.00 0.22 116.57 118.42 3kd2 h LYS 281 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kd2 h LYS 281 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3kd2 h LYS 281 CO -0.02 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 3kd2 h ALA 282 N 1.71 1.00 0.00 3.86 0.00 -1.25 -3.32 119.26 121.25 3kd2 h ALA 282 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 3kd2 h ALA 282 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3kd2 h ALA 282 CO -0.07 0.00 -2.00 0.66 0.00 0.00 0.00 179.25 177.84 3kd2 n TYR 283 N -2.70 0.00 -4.94 0.00 4.02 0.44 -5.01 117.16 108.98 3kd2 n TYR 283 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.65 3kd2 n TYR 283 Cb 0.37 -0.72 -0.16 0.00 -0.02 0.00 0.00 39.34 38.82 3kd2 n TYR 283 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kd2 s ALA 284 N -2.35 1.64 0.12 -0.72 0.00 0.49 -0.58 121.76 120.36 3kd2 s ALA 284 Ca -0.09 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 3kd2 s ALA 284 Cb 0.05 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 3kd2 s ALA 284 CO 0.58 0.35 1.38 0.93 0.00 0.00 0.00 175.76 179.00 3kd2 h GLU 285 N 5.94 0.83 -3.61 0.00 4.39 -1.63 -3.41 114.58 117.08 3kd2 h GLU 285 Ca -0.35 -0.57 -0.64 0.00 0.34 0.00 0.00 59.36 58.14 3kd2 h GLU 285 Cb 1.16 0.09 -0.41 0.00 -0.10 0.00 0.00 28.75 29.49 3kd2 h GLU 285 CO 0.48 1.20 -0.66 0.34 -1.16 0.00 0.00 179.01 179.21 3kd2 s ASP 286 N -7.00 4.35 -0.01 1.42 2.15 -1.26 -5.08 116.67 111.24 3kd2 s ASP 286 Ca -0.10 -2.81 -0.00 0.00 0.43 0.00 0.00 52.55 50.07 3kd2 s ASP 286 Cb 0.10 -1.59 0.01 0.00 -0.30 0.00 0.00 42.92 41.14 3kd2 s ASP 286 CO 0.89 -0.26 0.02 0.54 -0.17 0.00 0.00 175.17 176.18 3kd2 s VAL 287 N 0.00 -0.02 0.15 1.11 0.11 -1.26 -0.82 120.40 119.67 3kd2 s VAL 287 Ca 0.16 0.06 0.11 0.00 -2.93 0.00 0.00 61.98 59.38 3kd2 s VAL 287 Cb -0.24 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3kd2 s VAL 287 CO -0.02 0.02 -0.25 -1.83 -3.33 0.00 0.00 175.10 169.69 3kd2 s GLU 288 N 0.31 1.42 0.07 1.54 -1.05 -0.68 -5.00 118.70 115.30 3kd2 s GLU 288 Ca -0.03 -1.40 0.02 0.00 -0.15 0.00 0.00 54.97 53.41 3kd2 s GLU 288 Cb -0.04 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.79 3kd2 s GLU 288 CO -0.01 0.42 -0.08 0.20 0.95 0.00 0.00 175.26 176.74 3kd2 s GLY 289 N -2.29 0.64 -0.01 -3.83 0.00 -1.26 -1.24 107.32 99.34 3kd2 s GLY 289 Ca 0.16 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3kd2 s GLY 289 CO 0.07 -1.10 -0.05 0.30 0.00 0.00 0.00 173.10 172.32 3kd2 s HIS 290 N -2.32 0.49 -0.19 1.90 3.76 -0.18 -4.94 115.29 113.81 3kd2 s HIS 290 Ca -0.00 -0.09 -0.04 0.00 -0.15 0.00 0.00 55.06 54.78 3kd2 s HIS 290 Cb -0.04 -0.35 -0.02 0.00 1.11 0.00 0.00 32.58 33.29 3kd2 s HIS 290 CO -0.02 -0.03 -0.04 0.08 -0.85 0.00 0.00 174.74 173.88 3kd2 s VAL 291 N 0.04 3.59 -0.47 -0.90 1.01 -1.26 -1.56 120.40 120.86 3kd2 s VAL 291 Ca -0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3kd2 s VAL 291 Cb -0.04 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.79 3kd2 s VAL 291 CO -0.00 0.45 0.53 -0.76 0.00 0.00 0.00 175.10 175.32 3kd2 s LEU 292 N 0.94 5.04 0.44 3.92 1.02 0.67 -4.78 118.68 125.94 3kd2 s LEU 292 Ca -0.00 -0.89 -0.25 0.00 0.02 0.00 0.00 54.13 53.00 3kd2 s LEU 292 Cb -0.15 -2.39 -0.08 0.00 0.02 0.00 0.00 46.19 43.59 3kd2 s LEU 292 CO 0.01 -0.75 1.42 -2.84 0.02 0.00 0.00 176.35 174.21 3kd2 s PRO 293 N 2.30 3.73 0.00 1.29 0.02 -1.26 0.34 135.00 141.42 3kd2 s PRO 293 Ca 0.12 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3kd2 s PRO 293 Cb -0.19 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.65 3kd2 s PRO 293 CO 0.12 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3kd2 n GLY 294 N 0.58 0.55 3.26 0.52 0.00 -1.26 -4.83 105.19 104.02 3kd2 n GLY 294 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3kd2 n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd2 n GLY 296 N 2.15 1.80 0.15 0.00 0.00 -1.26 -0.09 105.19 107.94 3kd2 n GLY 296 Ca -0.16 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 3kd2 n GLY 296 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kd2 h HIS 297 N 0.00 0.47 -1.31 1.61 2.76 -1.04 -3.32 115.15 114.32 3kd2 h HIS 297 Ca 0.00 -0.25 -0.75 0.00 -2.20 0.00 0.00 60.37 57.16 3kd2 h HIS 297 Cb 0.00 -0.06 -0.14 0.00 1.55 0.00 0.00 27.41 28.76 3kd2 h HIS 297 CO 0.00 1.06 2.22 0.91 -1.30 0.00 0.00 177.93 180.83 3kd2 n TRP 298 N -3.72 2.63 -0.21 5.26 7.02 -1.26 -4.84 117.44 122.32 3kd2 n TRP 298 Ca -0.05 -2.79 0.02 0.00 -1.02 0.00 0.00 57.50 53.66 3kd2 n TRP 298 Cb 0.81 -1.76 0.12 0.00 -2.42 0.00 0.00 31.31 28.06 3kd2 n TRP 298 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3kd2 h LEU 299 N 5.52 -0.24 -2.62 -0.99 3.38 -1.94 0.22 115.31 118.63 3kd2 h LEU 299 Ca 0.67 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.79 3kd2 h LEU 299 Cb 0.32 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kd2 h LEU 299 CO 1.45 -0.11 0.00 -0.65 0.09 0.00 0.00 178.44 179.22 3kd2 h PRO 300 N 0.14 0.00 0.00 1.13 0.11 -1.87 -0.80 132.00 130.71 3kd2 h PRO 300 Ca 0.34 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.15 3kd2 h PRO 300 Cb 0.56 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.62 3kd2 h PRO 300 CO -0.54 0.00 -2.09 0.39 -0.21 0.00 0.00 178.00 175.56 3kd2 n GLU 301 N -3.63 0.45 -0.12 1.05 1.02 -0.45 -3.83 120.64 115.14 3kd2 n GLU 301 Ca -0.03 0.14 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 3kd2 n GLU 301 Cb 0.08 -1.31 0.10 0.00 -0.02 0.00 0.00 31.44 30.29 3kd2 n GLU 301 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kd2 h GLU 302 N -0.28 0.83 -1.58 3.49 5.08 -0.61 -3.35 114.58 118.16 3kd2 h GLU 302 Ca -0.45 -0.28 -0.43 0.00 -1.00 0.00 0.00 59.36 57.20 3kd2 h GLU 302 Cb 1.57 -0.07 -0.39 0.00 0.50 0.00 0.00 28.75 30.36 3kd2 h GLU 302 CO -0.16 0.90 -1.17 0.00 -1.00 0.00 0.00 179.01 177.58 3kd2 h ALA 304 N 2.99 0.10 0.62 0.00 0.00 -1.64 -2.20 119.26 119.13 3kd2 h ALA 304 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kd2 h ALA 304 Cb 1.05 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.96 3kd2 h ALA 304 CO 0.48 -0.48 -0.30 0.00 0.00 0.00 0.00 179.25 178.95 3kd2 h ALA 305 N 1.15 -0.83 -0.59 0.00 0.00 -1.90 0.89 119.26 117.97 3kd2 h ALA 305 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3kd2 h ALA 305 Cb 0.11 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kd2 h ALA 305 CO -0.15 -0.95 0.06 -1.00 0.00 0.00 0.00 179.25 177.20 3kd2 h PRO 306 N -0.86 0.99 -0.03 0.00 0.13 -1.97 -1.53 132.00 128.73 3kd2 h PRO 306 Ca -0.09 -0.27 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kd2 h PRO 306 Cb 0.65 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 3kd2 h PRO 306 CO 0.14 0.94 0.02 1.98 -0.23 0.00 0.00 178.00 180.84 3kd2 h MET 307 N 0.92 0.04 -0.49 0.86 4.05 -1.33 -1.67 114.93 117.32 3kd2 h MET 307 Ca 0.18 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.68 3kd2 h MET 307 Cb 0.46 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 3kd2 h MET 307 CO 0.02 0.12 0.09 -0.91 0.23 0.00 0.00 176.91 176.46 3kd2 h ASN 308 N -0.05 -0.01 -0.14 1.39 -0.26 -0.70 -1.11 115.58 114.71 3kd2 h ASN 308 Ca 0.01 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3kd2 h ASN 308 Cb 0.09 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3kd2 h ASN 308 CO -0.00 0.03 0.09 -0.09 -1.06 0.00 0.00 177.43 176.40 3kd2 h ARG 309 N 0.23 0.19 -0.61 0.81 9.65 -1.12 -0.19 114.38 123.34 3kd2 h ARG 309 Ca 0.24 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 3kd2 h ARG 309 Cb 0.33 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 3kd2 h ARG 309 CO -0.32 0.15 0.33 -0.07 2.80 0.00 0.00 179.97 182.86 3kd2 h LEU 310 N 0.18 0.76 0.03 3.80 3.38 -0.98 -0.86 115.31 121.62 3kd2 h LEU 310 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kd2 h LEU 310 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3kd2 h LEU 310 CO -0.01 0.63 -0.02 0.58 0.09 0.00 0.00 178.44 179.71 3kd2 h VAL 311 N 0.82 1.12 -0.46 1.22 2.07 -1.05 -1.78 116.25 118.19 3kd2 h VAL 311 Ca 0.21 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3kd2 h VAL 311 Cb 0.04 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3kd2 h VAL 311 CO -0.03 0.13 0.29 0.40 0.02 0.00 0.00 177.57 178.37 3kd2 h ILE 312 N -0.26 1.07 -0.13 4.57 2.04 -0.88 -1.06 117.51 122.86 3kd2 h ILE 312 Ca -0.00 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3kd2 h ILE 312 Cb 0.24 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3kd2 h ILE 312 CO 0.01 0.11 0.05 0.44 0.00 0.00 0.00 178.15 178.76 3kd2 h ASP 313 N 0.58 0.18 -0.70 1.72 3.32 -1.19 -0.37 116.42 119.96 3kd2 h ASP 313 Ca 0.18 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.13 3kd2 h ASP 313 Cb -0.02 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 3kd2 h ASP 313 CO -0.07 0.29 0.39 0.15 -1.72 0.00 0.00 179.24 178.29 3kd2 h PHE 314 N 0.06 0.72 0.00 4.55 3.57 -1.04 -1.96 116.94 122.84 3kd2 h PHE 314 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3kd2 h PHE 314 Cb 0.16 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 3kd2 h PHE 314 CO -0.02 0.35 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.27 3kd2 h LEU 315 N 0.72 0.00 0.00 0.59 3.38 -1.08 -3.30 115.31 115.62 3kd2 h LEU 315 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kd2 h LEU 315 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kd2 h LEU 315 CO -0.19 0.06 -0.90 -1.20 0.09 0.00 0.00 178.44 176.31 3kd2 n SER 316 N -3.13 0.68 -0.30 -0.43 7.64 -0.16 -5.09 113.62 112.84 3kd2 n SER 316 Ca 0.03 0.04 0.15 0.00 1.01 0.00 0.00 58.87 60.10 3kd2 n SER 316 Cb 0.51 0.52 0.69 0.00 -1.01 0.00 0.00 64.21 64.91 3kd2 n SER 316 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92