#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 2.99 0.32 0.00 0.41 -1.26 -5.01 118.70 116.15 3kd2 s GLU 26 Ca 0.00 -0.85 0.13 0.00 -0.41 0.00 0.00 54.97 53.84 3kd2 s GLU 26 Cb 0.00 -2.32 0.52 0.00 -1.78 0.00 0.00 34.13 30.55 3kd2 s GLU 26 CO 0.00 0.23 1.69 0.93 -0.49 0.00 0.00 175.26 177.62 3kd2 h GLU 27 N 6.55 0.00 -4.80 1.61 5.08 -2.00 -3.45 114.58 117.59 3kd2 h GLU 27 Ca -0.23 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.82 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 0.48 0.50 -0.74 -0.06 -1.00 0.00 0.00 179.01 178.19 3kd2 s PHE 28 N -3.72 0.85 0.04 4.33 0.08 -1.26 -4.99 117.98 113.31 3kd2 s PHE 28 Ca -0.01 -0.52 -0.30 0.00 0.12 0.00 0.00 56.93 56.21 3kd2 s PHE 28 Cb 0.13 -0.49 -0.08 0.00 -0.57 0.00 0.00 43.02 42.01 3kd2 s PHE 28 CO 0.73 -0.04 1.63 -2.14 -0.10 0.00 0.00 175.22 175.30 3kd2 s PRO 29 N -1.81 4.21 0.11 0.24 0.02 -1.26 -4.98 135.00 131.53 3kd2 s PRO 29 Ca -0.06 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3kd2 s PRO 29 Cb -0.09 -3.65 -0.06 0.00 0.02 0.00 0.00 34.50 30.72 3kd2 s PRO 29 CO 0.01 -0.73 1.09 0.08 -0.33 0.00 0.00 177.00 177.11 3kd2 s VAL 30 N 2.81 4.14 0.59 3.83 1.01 -1.26 -5.01 120.40 126.52 3kd2 s VAL 30 Ca 0.73 1.70 -0.20 0.00 0.00 0.00 0.00 61.98 64.21 3kd2 s VAL 30 Cb -0.38 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3kd2 s VAL 30 CO 0.31 0.22 1.30 -2.84 0.00 0.00 0.00 175.10 174.10 3kd2 s PRO 31 N 0.25 2.88 0.17 2.72 0.02 -1.26 -4.89 135.00 134.89 3kd2 s PRO 31 Ca 0.52 2.09 -0.34 0.00 0.02 0.00 0.00 61.00 63.30 3kd2 s PRO 31 Cb -0.27 -2.04 -0.14 0.00 0.02 0.00 0.00 34.50 32.07 3kd2 s PRO 31 CO 0.32 -1.35 1.52 -1.71 -0.33 0.00 0.00 177.00 175.45 3kd2 n ASN 32 N -1.47 2.89 0.00 2.53 2.85 -1.26 -1.71 115.26 119.09 3kd2 n ASN 32 Ca 0.13 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.70 3kd2 n ASN 32 Cb 0.47 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 40.09 3kd2 n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kd2 n GLY 33 N 3.09 0.75 3.78 8.20 0.00 -1.26 -5.04 105.19 114.71 3kd2 n GLY 33 Ca 0.16 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 -2.73 3.07 -0.02 1.61 0.08 -0.69 -4.57 117.98 114.73 3kd2 s PHE 34 Ca 0.00 -0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.03 3kd2 s PHE 34 Cb 0.00 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 3kd2 s PHE 34 CO 0.00 0.53 -0.19 -1.83 -0.10 0.00 0.00 175.22 173.63 3kd2 s GLU 35 N -3.37 2.26 -0.24 0.44 -1.05 0.37 -4.85 118.70 112.27 3kd2 s GLU 35 Ca 0.31 -0.85 -0.11 0.00 -0.15 0.00 0.00 54.97 54.17 3kd2 s GLU 35 Cb -0.09 -2.22 -0.05 0.00 -0.44 0.00 0.00 34.13 31.33 3kd2 s GLU 35 CO 0.23 0.58 0.19 0.45 0.95 0.00 0.00 175.26 177.67 3kd2 s SER 36 N -0.90 6.15 0.33 0.83 0.15 -1.26 -0.70 113.70 118.30 3kd2 s SER 36 Ca 0.12 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 3kd2 s SER 36 Cb -0.10 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 3kd2 s SER 36 CO 0.01 0.04 0.42 0.00 1.20 0.00 0.00 173.24 174.91 3kd2 s ALA 37 N 1.14 0.95 0.05 5.45 0.00 -0.34 -5.01 121.76 124.00 3kd2 s ALA 37 Ca 0.09 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.49 3kd2 s ALA 37 Cb -0.14 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.18 3kd2 s ALA 37 CO 0.05 -0.76 -0.13 0.71 0.00 0.00 0.00 175.76 175.63 3kd2 s TYR 38 N -3.23 1.12 -0.05 0.00 1.51 -1.26 -1.33 117.35 114.10 3kd2 s TYR 38 Ca 0.32 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.97 3kd2 s TYR 38 Cb 0.00 -0.65 0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3kd2 s TYR 38 CO 0.21 0.03 -0.01 0.50 -1.11 0.00 0.00 175.55 175.16 3kd2 s ARG 39 N -1.47 0.61 -0.14 -0.62 6.06 -0.16 -4.95 118.95 118.28 3kd2 s ARG 39 Ca -0.02 0.03 -0.29 0.00 -2.50 0.00 0.00 55.73 52.95 3kd2 s ARG 39 Cb -0.09 -0.82 -0.02 0.00 0.06 0.00 0.00 34.95 34.08 3kd2 s ARG 39 CO 0.02 -0.19 1.29 -2.00 -2.50 0.00 0.00 175.30 171.91 3kd2 s GLU 40 N 1.42 4.24 -0.16 5.12 2.56 -1.26 -1.14 118.70 129.48 3kd2 s GLU 40 Ca -0.04 1.71 -0.00 0.00 0.00 0.00 0.00 54.97 56.64 3kd2 s GLU 40 Cb -0.13 -3.76 0.04 0.00 2.00 0.00 0.00 34.13 32.28 3kd2 s GLU 40 CO -0.03 -0.69 -0.08 0.08 -0.56 0.00 0.00 175.26 173.98 3kd2 s VAL 41 N 3.40 1.30 -1.53 3.70 1.01 0.81 -4.77 120.40 124.32 3kd2 s VAL 41 Ca 0.56 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3kd2 s VAL 41 Cb -0.23 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.84 3kd2 s VAL 41 CO 0.17 0.23 0.63 0.47 0.00 0.00 0.00 175.10 176.60 3kd2 n ASP 42 N 4.82 -2.01 0.00 3.32 8.00 -1.26 -0.99 116.55 128.44 3kd2 n ASP 42 Ca -0.13 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.39 3kd2 n ASP 42 Cb 0.48 -3.06 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 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 -1.72 0.69 3.31 0.44 0.00 -1.26 -4.88 105.19 101.77 3kd2 n GLY 43 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.85 2.94 -0.44 1.61 1.01 -0.16 -4.99 120.40 117.53 3kd2 s VAL 44 Ca 0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 3kd2 s VAL 44 Cb 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3kd2 s VAL 44 CO 0.00 0.50 0.99 -0.75 0.00 0.00 0.00 175.10 175.85 3kd2 s LYS 45 N 0.75 3.67 -0.16 2.72 2.20 -1.26 -0.13 119.74 127.53 3kd2 s LYS 45 Ca -0.05 0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 3kd2 s LYS 45 Cb -0.15 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 32.23 3kd2 s LYS 45 CO 0.01 -1.20 0.20 -0.51 -0.36 0.00 0.00 175.35 173.49 3kd2 s LEU 46 N 3.90 4.27 0.17 5.43 1.43 -0.29 -1.08 118.68 132.51 3kd2 s LEU 46 Ca 0.41 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.76 3kd2 s LEU 46 Cb -0.10 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 3kd2 s LEU 46 CO 0.26 0.21 0.59 -2.28 0.23 0.00 0.00 176.35 175.35 3kd2 s HIS 47 N 0.04 3.60 0.17 0.29 5.65 -1.26 -0.99 115.29 122.79 3kd2 s HIS 47 Ca 0.13 1.11 -0.17 0.00 0.25 0.00 0.00 55.06 56.39 3kd2 s HIS 47 Cb -0.12 -2.41 0.03 0.00 -1.18 0.00 0.00 32.58 28.90 3kd2 s HIS 47 CO 0.02 0.39 0.46 1.52 -0.65 0.00 0.00 174.74 176.49 3kd2 s TYR 48 N -1.51 -0.12 -0.09 3.88 1.13 -0.44 -0.65 117.35 119.54 3kd2 s TYR 48 Ca 0.40 -0.21 0.04 0.00 -1.41 0.00 0.00 57.07 55.89 3kd2 s TYR 48 Cb -0.15 0.31 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 3kd2 s TYR 48 CO 0.19 -0.82 -0.23 0.08 -2.51 0.00 0.00 175.55 172.27 3kd2 s VAL 49 N -3.85 1.96 0.02 -3.49 1.01 -0.66 -1.20 120.40 114.18 3kd2 s VAL 49 Ca 0.07 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.12 3kd2 s VAL 49 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3kd2 s VAL 49 CO -0.06 0.54 -0.11 -0.75 0.00 0.00 0.00 175.10 174.71 3kd2 s LYS 50 N 0.31 0.83 0.13 2.72 2.20 0.12 -1.12 119.74 124.94 3kd2 s LYS 50 Ca -0.17 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 54.62 3kd2 s LYS 50 Cb -0.17 -0.80 0.07 0.00 -1.51 0.00 0.00 37.83 35.42 3kd2 s LYS 50 CO 0.08 0.20 0.92 0.20 -0.36 0.00 0.00 175.35 176.39 3kd2 s GLY 51 N -0.75 -0.28 0.00 5.54 0.00 -0.40 -0.48 107.32 110.95 3kd2 s GLY 51 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.00 3kd2 s GLY 51 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.78 3kd2 n GLY 52 N -0.43 -2.30 3.08 0.20 0.00 -1.26 0.05 105.19 104.53 3kd2 n GLY 52 Ca -0.07 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3kd2 n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kd2 s GLN 53 N -0.36 0.50 0.00 1.61 -0.21 -0.85 -4.56 119.66 115.79 3kd2 s GLN 53 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.71 3kd2 s GLN 53 Cb 0.00 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.20 3kd2 s GLN 53 CO 0.00 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.47 3kd2 n GLY 54 N 1.08 -0.79 3.58 3.09 0.00 -1.26 -2.30 105.19 108.59 3kd2 n GLY 54 Ca -0.21 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.29 3kd2 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kd2 n PRO 55 N 0.00 0.55 -2.97 1.61 -0.02 -1.26 -3.03 135.00 129.88 3kd2 n PRO 55 Ca 0.00 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 3kd2 n PRO 55 Cb 0.00 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 3kd2 n PRO 55 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kd2 s LEU 56 N -2.26 4.43 -0.10 2.45 2.96 -1.26 -0.44 118.68 124.46 3kd2 s LEU 56 Ca 0.73 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 56.10 3kd2 s LEU 56 Cb -0.36 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3kd2 s LEU 56 CO 0.51 -0.02 -0.21 0.54 -1.32 0.00 0.00 176.35 175.84 3kd2 s VAL 57 N 0.12 1.88 -0.19 1.68 0.11 0.15 -0.66 120.40 123.50 3kd2 s VAL 57 Ca 0.39 -0.91 -0.07 0.00 -2.93 0.00 0.00 61.98 58.47 3kd2 s VAL 57 Cb -0.20 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 3kd2 s VAL 57 CO 0.23 0.52 0.05 -0.32 -3.33 0.00 0.00 175.10 172.25 3kd2 s MET 58 N 0.50 3.86 -0.21 1.54 1.75 -0.42 -1.49 119.30 124.83 3kd2 s MET 58 Ca -0.16 -0.40 -0.07 0.00 -1.25 0.00 0.00 55.69 53.82 3kd2 s MET 58 Cb -0.17 -3.20 -0.03 0.00 2.84 0.00 0.00 34.83 34.27 3kd2 s MET 58 CO 0.06 0.17 0.04 -0.51 -0.65 0.00 0.00 175.02 174.13 3kd2 s LEU 59 N 0.65 3.48 -0.21 4.11 1.43 -0.01 -1.17 118.68 126.96 3kd2 s LEU 59 Ca 0.02 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3kd2 s LEU 59 Cb -0.13 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.21 3kd2 s LEU 59 CO 0.02 0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 175.81 3kd2 s VAL 60 N 1.07 2.27 1.06 -1.59 1.01 0.78 -3.65 120.40 121.35 3kd2 s VAL 60 Ca 0.03 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 3kd2 s VAL 60 Cb -0.14 -2.07 0.24 0.00 0.00 0.00 0.00 36.38 34.41 3kd2 s VAL 60 CO 0.03 0.37 1.27 -1.38 0.00 0.00 0.00 175.10 175.39 3kd2 s HIS 61 N 1.27 1.06 0.00 5.22 -3.43 -1.26 -1.36 115.29 116.78 3kd2 s HIS 61 Ca 0.01 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 3kd2 s HIS 61 Cb -0.15 -3.98 0.00 0.00 -1.43 0.00 0.00 32.58 27.02 3kd2 s HIS 61 CO -0.10 -3.15 0.00 0.41 -2.00 0.00 0.00 174.74 169.90 3kd2 n GLY 62 N -2.94 6.46 3.77 -1.38 0.00 -1.16 -2.76 105.19 107.18 3kd2 n GLY 62 Ca 0.16 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 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 0.04 2.90 0.00 1.61 5.36 -1.26 -2.87 117.98 123.76 3kd2 s PHE 63 Ca 0.00 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3kd2 s PHE 63 Cb 0.00 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 3kd2 s PHE 63 CO 0.00 -2.00 0.00 0.41 -1.46 0.00 0.00 175.22 172.17 3kd2 n GLY 64 N 0.70 1.62 0.30 13.12 0.00 -1.26 -4.98 105.19 114.70 3kd2 n GLY 64 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.45 -1.69 1.61 6.02 -1.14 -4.85 117.38 115.78 3kd2 n GLN 65 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 3kd2 n GLN 65 Cb 0.00 0.22 0.00 0.00 1.02 0.00 0.00 30.24 31.48 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 -0.07 0.00 -0.17 5.09 -2.24 -1.26 -4.70 114.28 110.93 3kd2 n THR 66 Ca 0.00 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.07 3kd2 n THR 66 Cb 0.06 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.96 0.00 0.00 4.78 5.08 -1.87 -2.44 115.95 122.46 3kd2 h TRP 67 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 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 -0.02 -0.92 -1.28 0.00 0.00 178.44 176.22 3kd2 h TYR 68 N 0.00 0.00 -0.01 0.12 3.20 -1.94 -1.37 116.97 116.97 3kd2 h TYR 68 Ca 0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.30 3kd2 h TYR 68 Cb 1.85 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.12 3kd2 h TYR 68 CO 0.00 0.02 0.03 1.05 -1.64 0.00 0.00 178.16 177.62 3kd2 h GLU 69 N 0.00 0.00 -0.15 1.82 4.11 -1.85 -0.90 114.58 117.61 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 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 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 -3.46 0.19 0.29 2.06 7.02 -0.52 -4.56 117.44 118.46 3kd2 n TRP 70 Ca -0.03 -0.09 0.16 0.00 -1.02 0.00 0.00 57.50 56.52 3kd2 n TRP 70 Cb 0.11 0.00 0.87 0.00 -2.42 0.00 0.00 31.31 29.87 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 3.08 0.00 0.10 -5.99 2.07 -1.30 -0.69 115.15 112.42 3kd2 h HIS 71 Ca 0.00 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.24 3kd2 h HIS 71 Cb 0.67 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 3kd2 h HIS 71 CO 0.09 0.06 -1.37 1.96 -3.07 0.00 0.00 177.93 175.60 3kd2 h GLN 72 N 0.00 0.21 0.05 5.12 4.20 -1.82 -3.35 115.11 119.51 3kd2 h GLN 72 Ca -0.00 -0.35 -0.24 0.00 0.06 0.00 0.00 58.65 58.12 3kd2 h GLN 72 Cb 0.24 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3kd2 h GLN 72 CO 0.01 1.10 -1.04 1.25 -0.67 0.00 0.00 178.83 179.48 3kd2 h LEU 73 N 0.06 0.40 -0.39 1.46 5.85 -1.61 -3.38 115.31 117.70 3kd2 h LEU 73 Ca -0.17 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3kd2 h LEU 73 Cb 1.97 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.82 3kd2 h LEU 73 CO 0.17 1.21 0.09 0.24 -0.34 0.00 0.00 178.44 179.81 3kd2 h MET 74 N 0.13 0.22 -0.74 1.25 2.86 -1.30 -1.89 114.93 115.46 3kd2 h MET 74 Ca -0.09 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3kd2 h MET 74 Cb 1.71 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.28 3kd2 h MET 74 CO 0.17 0.15 0.44 -1.35 1.06 0.00 0.00 176.91 177.38 3kd2 h PRO 75 N 0.23 0.99 -0.31 -0.22 0.11 -1.76 0.10 132.00 131.15 3kd2 h PRO 75 Ca 0.19 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 3kd2 h PRO 75 Cb 0.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3kd2 h PRO 75 CO -0.23 0.70 -0.11 0.93 -0.21 0.00 0.00 178.00 179.08 3kd2 h GLU 76 N 1.01 0.62 -0.58 1.05 4.39 -1.64 -3.06 114.58 116.36 3kd2 h GLU 76 Ca 0.26 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 3kd2 h GLU 76 Cb -0.04 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3kd2 h GLU 76 CO -0.05 0.82 0.13 -0.07 -1.16 0.00 0.00 179.01 178.68 3kd2 h LEU 77 N 0.38 0.85 -0.97 1.33 3.38 -1.00 -2.94 115.31 116.34 3kd2 h LEU 77 Ca 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kd2 h LEU 77 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kd2 h LEU 77 CO 0.04 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.40 3kd2 n ALA 78 N -2.46 1.17 0.42 1.53 0.00 0.33 -0.49 120.51 121.01 3kd2 n ALA 78 Ca 0.04 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.75 3kd2 n ALA 78 Cb 0.24 -1.27 0.43 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.55 -3.26 116.57 113.33 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 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kd2 h LYS 79 CO 0.00 0.00 -0.61 0.54 -0.57 0.00 0.00 179.45 178.81 3kd2 n ARG 80 N -2.57 2.33 -4.20 3.15 1.74 0.23 -4.94 116.66 112.41 3kd2 n ARG 80 Ca 0.03 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3kd2 n ARG 80 Cb 0.37 -0.81 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 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 -1.27 1.01 -0.27 -1.55 0.08 0.36 -4.39 117.98 111.95 3kd2 s PHE 81 Ca 0.00 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 55.87 3kd2 s PHE 81 Cb 0.00 -0.56 0.01 0.00 -0.57 0.00 0.00 43.02 41.90 3kd2 s PHE 81 CO 0.00 -0.10 1.04 0.99 -0.10 0.00 0.00 175.22 177.04 3kd2 s THR 82 N -3.56 4.63 -0.15 0.64 2.01 0.41 -2.00 115.64 117.62 3kd2 s THR 82 Ca 0.14 1.88 -0.04 0.00 0.31 0.00 0.00 61.69 63.98 3kd2 s THR 82 Cb 0.05 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 3kd2 s THR 82 CO -0.03 -0.29 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.89 3kd2 s VAL 83 N 3.34 3.92 -0.05 3.82 1.01 0.11 -0.67 120.40 131.88 3kd2 s VAL 83 Ca 0.44 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3kd2 s VAL 83 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3kd2 s VAL 83 CO 0.10 0.50 -0.14 -0.51 0.00 0.00 0.00 175.10 175.05 3kd2 s ILE 84 N 0.32 1.21 -0.31 2.22 2.07 -0.55 -1.28 121.20 124.88 3kd2 s ILE 84 Ca -0.04 -0.56 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 3kd2 s ILE 84 Cb -0.14 -1.07 0.09 0.00 0.13 0.00 0.00 42.46 41.48 3kd2 s ILE 84 CO 0.03 0.36 0.07 0.00 -1.91 0.00 0.00 174.94 173.49 3kd2 s ALA 85 N 0.32 1.93 0.46 1.50 0.00 -0.27 -0.83 121.76 124.88 3kd2 s ALA 85 Ca -0.08 -1.83 -0.11 0.00 0.00 0.00 0.00 51.96 49.93 3kd2 s ALA 85 Cb -0.13 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.25 3kd2 s ALA 85 CO 0.03 -1.60 0.84 -1.25 0.00 0.00 0.00 175.76 173.77 3kd2 s PRO 86 N 1.41 3.75 -0.01 0.00 0.04 -1.24 -1.66 135.00 137.29 3kd2 s PRO 86 Ca 0.08 0.54 -0.23 0.00 0.04 0.00 0.00 61.00 61.43 3kd2 s PRO 86 Cb -0.18 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 3kd2 s PRO 86 CO -0.18 -0.16 0.68 -0.51 0.04 0.00 0.00 177.00 176.87 3kd2 s ASP 87 N -3.40 7.05 0.52 6.66 1.01 0.18 -4.35 116.67 124.33 3kd2 s ASP 87 Ca 0.52 1.25 -0.22 0.00 0.71 0.00 0.00 52.55 54.81 3kd2 s ASP 87 Cb -0.10 -2.41 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 3kd2 s ASP 87 CO 0.36 -0.00 1.33 0.18 0.21 0.00 0.00 175.17 177.24 3kd2 n LEU 88 N 3.14 5.12 -4.61 1.23 4.77 -1.26 -4.57 117.00 120.82 3kd2 n LEU 88 Ca -0.03 1.00 -0.52 0.00 -0.03 0.00 0.00 56.01 56.42 3kd2 n LEU 88 Cb 0.51 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.98 3kd2 n LEU 88 CO 0.46 -0.63 0.99 -2.65 -1.33 0.00 0.00 177.39 174.22 3kd2 n PRO 89 N -0.76 1.22 0.00 3.23 -0.02 -1.26 -0.42 135.00 137.00 3kd2 n PRO 89 Ca 0.09 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3kd2 n PRO 89 Cb 0.44 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.85 3.07 3.92 -1.23 0.00 -0.30 -4.62 105.19 108.87 3kd2 n GLY 90 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 4.02 0.00 0.99 1.43 0.45 -3.78 118.68 121.79 3kd2 s LEU 91 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3kd2 s LEU 91 Cb 0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 3kd2 s LEU 91 CO 0.00 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3kd2 n GLY 92 N -1.39 3.26 1.40 -3.19 0.00 -1.26 -1.32 105.19 102.69 3kd2 n GLY 92 Ca -0.06 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 3.78 -3.67 1.61 6.02 -1.26 -4.97 117.38 132.89 3kd2 n GLN 93 Ca 0.00 -3.01 -0.37 0.00 -0.01 0.00 0.00 57.00 53.61 3kd2 n GLN 93 Cb 0.00 -2.05 -0.06 0.00 1.02 0.00 0.00 30.24 29.15 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 -1.42 6.62 0.59 1.08 0.01 -0.43 -4.16 113.70 115.99 3kd2 s SER 94 Ca 0.49 0.73 -0.18 0.00 1.31 0.00 0.00 55.95 58.30 3kd2 s SER 94 Cb 0.38 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 3kd2 s SER 94 CO 0.12 0.33 1.16 -1.61 0.41 0.00 0.00 173.24 173.65 3kd2 s GLU 95 N -1.21 3.07 0.82 12.44 2.02 -0.24 -1.83 118.70 133.76 3kd2 s GLU 95 Ca 0.22 1.67 -0.13 0.00 0.02 0.00 0.00 54.97 56.74 3kd2 s GLU 95 Cb -0.14 -1.96 0.08 0.00 0.10 0.00 0.00 34.13 32.21 3kd2 s GLU 95 CO 0.11 -1.09 1.15 -2.30 0.02 0.00 0.00 175.26 173.15 3kd2 n PRO 96 N -1.64 0.14 -2.25 0.39 -0.02 -1.26 -1.15 135.00 129.20 3kd2 n PRO 96 Ca 0.12 0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.38 3kd2 n PRO 96 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 -4.07 3.35 0.10 0.52 0.04 -1.26 -4.71 135.00 128.97 3kd2 s PRO 97 Ca 0.72 1.58 0.21 0.00 0.04 0.00 0.00 61.00 63.55 3kd2 s PRO 97 Cb -0.29 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 3kd2 s PRO 97 CO 0.52 -0.85 0.82 1.63 0.04 0.00 0.00 177.00 179.16 3kd2 n LYS 98 N -1.34 0.62 -0.04 4.56 5.02 -1.26 -4.55 118.16 121.17 3kd2 n LYS 98 Ca 0.11 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 3kd2 n LYS 98 Cb 0.51 -1.75 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3kd2 n LYS 98 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3kd2 h THR 99 N 0.00 0.00 0.00 -0.18 1.35 -1.94 -3.51 112.91 108.62 3kd2 h THR 99 Ca -0.08 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3kd2 h THR 99 Cb 1.23 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3kd2 h THR 99 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3kd2 n GLY 100 N 1.76 -1.39 0.79 5.82 0.00 -1.26 -5.04 105.19 105.87 3kd2 n GLY 100 Ca -0.02 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 0.08 0.31 -1.76 1.61 4.02 -1.26 -4.22 117.16 115.93 3kd2 n TYR 101 Ca 0.00 -0.23 -0.34 0.00 -0.01 0.00 0.00 57.90 57.32 3kd2 n TYR 101 Cb 0.00 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.21 4.86 0.25 7.72 1.04 -1.26 -4.70 113.70 120.40 3kd2 s SER 102 Ca 0.26 2.25 -0.04 0.00 0.48 0.00 0.00 55.95 58.90 3kd2 s SER 102 Cb 0.16 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 64.15 3kd2 s SER 102 CO 0.22 -1.81 1.75 1.23 0.98 0.00 0.00 173.24 175.62 3kd2 h GLY 103 N 0.25 1.20 1.38 7.32 0.00 -1.86 -0.80 103.07 110.56 3kd2 h GLY 103 Ca -0.48 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 3kd2 h GLY 103 CO 0.53 -0.04 -0.19 -2.09 0.00 0.00 0.00 176.54 174.75 3kd2 h GLU 104 N 0.54 0.72 -0.02 4.80 4.81 -1.91 -0.37 114.58 123.15 3kd2 h GLU 104 Ca 0.41 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3kd2 h GLU 104 Cb 0.57 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3kd2 h GLU 104 CO -0.36 0.86 -0.02 1.96 -0.73 0.00 0.00 179.01 180.73 3kd2 h GLN 105 N 0.64 0.05 -0.40 1.92 4.20 -1.65 -3.22 115.11 116.65 3kd2 h GLN 105 Ca 0.10 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3kd2 h GLN 105 Cb 0.68 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3kd2 h GLN 105 CO 0.05 0.50 -0.08 0.28 -0.67 0.00 0.00 178.83 178.91 3kd2 h VAL 106 N -0.40 1.24 -0.32 -0.54 2.07 -1.15 -2.85 116.25 114.30 3kd2 h VAL 106 Ca 0.00 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3kd2 h VAL 106 Cb 0.49 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3kd2 h VAL 106 CO 0.00 0.36 0.22 0.00 0.02 0.00 0.00 177.57 178.18 3kd2 h ALA 107 N 1.28 2.11 -0.54 1.67 0.00 -1.01 -2.00 119.26 120.77 3kd2 h ALA 107 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kd2 h ALA 107 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3kd2 h ALA 107 CO 0.03 -0.19 0.34 0.28 0.00 0.00 0.00 179.25 179.71 3kd2 h VAL 108 N 0.15 1.15 -0.46 0.00 2.07 -1.51 0.28 116.25 117.94 3kd2 h VAL 108 Ca 0.15 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kd2 h VAL 108 Cb 0.39 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3kd2 h VAL 108 CO -0.02 0.15 0.28 1.88 0.02 0.00 0.00 177.57 179.88 3kd2 h TYR 109 N 0.72 0.59 -0.27 1.57 0.05 -1.49 -1.84 116.97 116.31 3kd2 h TYR 109 Ca 0.19 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.83 3kd2 h TYR 109 Cb -0.04 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.50 3kd2 h TYR 109 CO -0.03 0.41 -0.42 -0.07 -1.05 0.00 0.00 178.16 176.99 3kd2 h LEU 110 N 0.61 0.84 -0.10 3.88 3.38 -1.38 -1.11 115.31 121.43 3kd2 h LEU 110 Ca 0.16 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.62 3kd2 h LEU 110 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3kd2 h LEU 110 CO -0.03 1.20 0.04 -0.74 0.09 0.00 0.00 178.44 178.99 3kd2 h HIS 111 N 0.51 0.07 -0.76 1.13 2.76 -0.88 -1.20 115.15 116.78 3kd2 h HIS 111 Ca 0.02 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3kd2 h HIS 111 Cb 1.02 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 3kd2 h HIS 111 CO 0.08 0.04 0.29 0.87 -1.30 0.00 0.00 177.93 177.91 3kd2 h LYS 112 N 0.09 1.15 0.11 5.26 1.57 -1.31 -0.94 116.57 122.50 3kd2 h LYS 112 Ca 0.04 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3kd2 h LYS 112 Cb 0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3kd2 h LYS 112 CO -0.04 0.94 -0.15 1.25 -0.57 0.00 0.00 179.45 180.89 3kd2 h LEU 113 N 1.10 -0.41 -0.58 2.94 5.85 -1.00 -1.59 115.31 121.62 3kd2 h LEU 113 Ca 0.25 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.07 3kd2 h LEU 113 Cb 0.24 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3kd2 h LEU 113 CO -0.02 -0.22 0.30 0.00 -0.34 0.00 0.00 178.44 178.16 3kd2 h ALA 114 N 0.54 0.76 0.00 1.25 0.00 -1.00 -2.27 119.26 118.54 3kd2 h ALA 114 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kd2 h ALA 114 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kd2 h ALA 114 CO -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.11 3kd2 h ARG 115 N 0.57 0.00 -0.86 0.00 2.47 -0.83 -0.82 114.38 114.91 3kd2 h ARG 115 Ca 0.26 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 3kd2 h ARG 115 Cb 0.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 3kd2 h ARG 115 CO -0.18 0.04 0.47 1.96 0.56 0.00 0.00 179.97 182.82 3kd2 h GLN 116 N 0.00 1.19 0.00 0.04 1.08 -0.68 -1.80 115.11 114.95 3kd2 h GLN 116 Ca -0.00 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3kd2 h GLN 116 Cb 0.42 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3kd2 h GLN 116 CO 0.00 0.87 -1.00 1.19 -0.95 0.00 0.00 178.83 178.95 3kd2 n PHE 117 N -4.34 0.61 -3.19 2.96 3.72 -0.58 -4.47 117.46 112.18 3kd2 n PHE 117 Ca 0.09 0.18 -0.21 0.00 -0.05 0.00 0.00 57.45 57.46 3kd2 n PHE 117 Cb 0.10 -0.72 -0.05 0.00 -0.94 0.00 0.00 39.48 37.87 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 -2.32 0.44 0.22 4.37 2.88 -0.42 -4.97 113.62 113.83 3kd2 n SER 118 Ca 0.01 -2.83 0.10 0.00 -1.33 0.00 0.00 58.87 54.82 3kd2 n SER 118 Cb 0.50 -0.62 0.47 0.00 -0.75 0.00 0.00 64.21 63.80 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 3.57 0.00 0.00 -1.46 0.13 -1.55 -3.32 132.00 129.37 3kd2 h PRO 119 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3kd2 h PRO 119 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3kd2 h PRO 119 CO 0.48 0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 3kd2 n ASP 120 N -3.43 1.16 -4.05 1.44 8.00 -1.26 -5.02 116.55 113.38 3kd2 n ASP 120 Ca -0.00 -1.28 -0.11 0.00 0.71 0.00 0.00 54.79 54.11 3kd2 n ASP 120 Cb 0.42 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.41 3kd2 n ASP 120 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kd2 s ARG 121 N -0.28 0.49 0.80 -1.24 1.81 -1.25 -5.15 118.95 114.13 3kd2 s ARG 121 Ca 0.00 -0.77 -0.11 0.00 -1.72 0.00 0.00 55.73 53.13 3kd2 s ARG 121 Cb 0.00 -0.15 0.08 0.00 -0.45 0.00 0.00 34.95 34.42 3kd2 s ARG 121 CO 0.00 0.01 1.12 -2.14 -0.68 0.00 0.00 175.30 173.61 3kd2 s PRO 122 N -1.76 1.93 0.29 3.54 0.02 -1.26 -4.85 135.00 132.91 3kd2 s PRO 122 Ca -0.10 1.37 0.06 0.00 0.02 0.00 0.00 61.00 62.36 3kd2 s PRO 122 Cb -0.08 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 3kd2 s PRO 122 CO -0.01 -1.92 -0.05 -0.59 -0.33 0.00 0.00 177.00 174.11 3kd2 s PHE 123 N -2.67 1.97 0.29 6.54 -0.71 0.37 -4.71 117.98 119.08 3kd2 s PHE 123 Ca 0.65 -0.72 -0.06 0.00 -1.04 0.00 0.00 56.93 55.76 3kd2 s PHE 123 Cb -0.20 -1.15 -0.05 0.00 -1.21 0.00 0.00 43.02 40.40 3kd2 s PHE 123 CO 0.54 0.26 0.57 -0.51 -1.34 0.00 0.00 175.22 174.74 3kd2 s ASP 124 N -3.46 6.47 -0.05 1.98 1.01 0.17 -0.87 116.67 121.91 3kd2 s ASP 124 Ca 0.30 0.77 0.02 0.00 0.71 0.00 0.00 52.55 54.35 3kd2 s ASP 124 Cb 0.04 -2.17 0.02 0.00 1.01 0.00 0.00 42.92 41.82 3kd2 s ASP 124 CO 0.12 -0.20 -0.08 -0.22 0.21 0.00 0.00 175.17 175.01 3kd2 s LEU 125 N -3.51 1.49 -0.10 1.23 2.96 -0.50 -1.30 118.68 118.96 3kd2 s LEU 125 Ca 0.45 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3kd2 s LEU 125 Cb -0.11 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3kd2 s LEU 125 CO 0.29 -0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.45 3kd2 s VAL 126 N 0.74 1.57 0.01 1.68 1.01 -0.32 -0.08 120.40 125.02 3kd2 s VAL 126 Ca -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3kd2 s VAL 126 Cb -0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3kd2 s VAL 126 CO 0.02 0.45 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 3kd2 s ALA 127 N 0.76 0.16 -0.04 5.51 0.00 -0.31 -0.15 121.76 127.69 3kd2 s ALA 127 Ca -0.11 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3kd2 s ALA 127 Cb -0.16 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 3kd2 s ALA 127 CO 0.02 -0.07 -0.14 -1.58 0.00 0.00 0.00 175.76 173.99 3kd2 s HIS 128 N -0.84 1.47 0.00 0.00 2.46 -0.47 -1.72 115.29 116.19 3kd2 s HIS 128 Ca -0.08 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.03 3kd2 s HIS 128 Cb -0.06 -1.01 0.00 0.00 -0.13 0.00 0.00 32.58 31.38 3kd2 s HIS 128 CO -0.00 -0.15 0.00 -3.47 -2.47 0.00 0.00 174.74 168.64 3kd2 n ASP 129 N 3.24 0.00 0.00 9.88 -0.08 -0.81 -0.98 116.55 127.80 3kd2 n ASP 129 Ca -0.18 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.15 3kd2 n ASP 129 Cb 0.53 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.27 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 0.94 0.26 5.18 -5.35 -1.26 -0.87 119.36 118.26 3kd2 n ILE 130 Ca 0.00 0.24 0.09 0.00 -0.27 0.00 0.00 62.75 62.81 3kd2 n ILE 130 Cb 0.00 -1.04 0.69 0.00 -1.74 0.00 0.00 39.64 37.55 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 1.99 0.00 0.60 3.28 0.00 -0.87 -1.86 103.07 106.21 3kd2 h GLY 131 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kd2 h GLY 131 CO 0.00 0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.29 3kd2 h ILE 132 N 0.00 1.20 -1.00 2.60 2.04 -1.15 -2.69 117.51 118.51 3kd2 h ILE 132 Ca -0.00 -0.88 0.19 0.00 1.00 0.00 0.00 64.86 65.17 3kd2 h ILE 132 Cb 0.06 1.77 -0.10 0.00 -0.74 0.00 0.00 36.82 37.81 3kd2 h ILE 132 CO 0.00 0.22 0.61 -0.50 0.00 0.00 0.00 178.15 178.49 3kd2 h TRP 133 N -0.47 1.02 -0.16 1.37 4.06 -1.57 -0.98 115.95 119.21 3kd2 h TRP 133 Ca -0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3kd2 h TRP 133 Cb 0.42 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3kd2 h TRP 133 CO 0.06 0.22 0.00 0.09 -3.56 0.00 0.00 178.44 175.25 3kd2 n ASN 134 N -4.74 1.92 0.00 -3.49 3.02 -0.74 -4.11 115.26 107.12 3kd2 n ASN 134 Ca 0.23 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 3kd2 n ASN 134 Cb 0.59 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.49 0.00 -0.18 3.41 -2.24 -0.84 -3.17 114.28 111.75 3kd2 n THR 135 Ca 0.17 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.94 3kd2 n THR 135 Cb 0.38 -0.83 0.07 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.08 -0.99 4.78 3.20 -1.35 -1.43 116.97 121.09 3kd2 h TYR 136 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3kd2 h TYR 136 Cb 0.83 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 3kd2 h TYR 136 CO 0.00 -0.16 0.64 -1.35 -1.64 0.00 0.00 178.16 175.65 3kd2 h PRO 137 N 0.09 1.13 0.00 1.82 0.11 -1.84 -1.23 132.00 132.08 3kd2 h PRO 137 Ca 0.28 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 3kd2 h PRO 137 Cb 0.44 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3kd2 h PRO 137 CO -0.49 0.75 -0.45 0.00 -0.21 0.00 0.00 178.00 177.61 3kd2 h MET 138 N 1.17 0.00 0.06 1.05 -0.00 -1.59 -1.59 114.93 114.03 3kd2 h MET 138 Ca 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.12 3kd2 h MET 138 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 3kd2 h MET 138 CO -0.16 0.45 -0.03 0.28 -0.00 0.00 0.00 176.91 177.45 3kd2 h VAL 139 N 0.00 1.17 0.00 -0.10 2.07 -0.73 -2.09 116.25 116.58 3kd2 h VAL 139 Ca -0.00 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 3kd2 h VAL 139 Cb 1.08 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3kd2 h VAL 139 CO 0.06 0.21 -0.44 1.62 0.02 0.00 0.00 177.57 179.04 3kd2 h VAL 140 N -0.46 1.25 0.00 2.57 3.04 -1.20 -2.26 116.25 119.20 3kd2 h VAL 140 Ca -0.01 -1.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.15 3kd2 h VAL 140 Cb 0.40 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3kd2 h VAL 140 CO 0.01 0.43 -0.48 0.29 -1.01 0.00 0.00 177.57 176.81 3kd2 n LYS 141 N -3.93 0.18 -2.76 4.17 5.02 -0.60 -4.30 118.16 115.94 3kd2 n LYS 141 Ca -0.01 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.23 3kd2 n LYS 141 Cb 0.47 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.90 1.41 -0.13 4.39 3.02 -0.79 -4.97 115.26 116.30 3kd2 n ASN 142 Ca 0.04 -2.80 0.12 0.00 -0.03 0.00 0.00 54.58 51.92 3kd2 n ASN 142 Cb 0.40 -0.55 0.48 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.99 0.46 0.00 3.52 4.20 -1.60 0.01 115.11 124.69 3kd2 h GLN 143 Ca -0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3kd2 h GLN 143 Cb 1.13 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 3kd2 h GLN 143 CO 0.51 0.30 -0.06 0.00 -0.67 0.00 0.00 178.83 178.92 3kd2 h ALA 144 N 1.66 1.08 0.00 3.87 0.00 -1.93 -2.32 119.26 121.62 3kd2 h ALA 144 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kd2 h ALA 144 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kd2 h ALA 144 CO -0.10 0.07 -0.18 -0.25 0.00 0.00 0.00 179.25 178.80 3kd2 n ASP 145 N -3.27 0.29 -4.23 0.00 9.92 -0.01 -4.52 116.55 114.73 3kd2 n ASP 145 Ca -0.01 0.29 -0.36 0.00 -0.53 0.00 0.00 54.79 54.18 3kd2 n ASP 145 Cb 0.25 -0.30 -0.13 0.00 -0.64 0.00 0.00 41.12 40.30 3kd2 n ASP 145 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kd2 s ILE 146 N -3.03 3.42 -0.05 0.53 -1.09 -0.87 -0.48 121.20 119.64 3kd2 s ILE 146 Ca 0.12 -1.23 -0.15 0.00 -2.23 0.00 0.00 60.65 57.16 3kd2 s ILE 146 Cb 0.17 -2.94 -0.10 0.00 -1.58 0.00 0.00 42.46 38.01 3kd2 s ILE 146 CO 0.60 -0.13 0.64 0.00 -1.23 0.00 0.00 174.94 174.81 3kd2 h ALA 147 N 8.12 -0.38 -2.39 9.38 0.00 -1.28 -3.46 119.26 129.26 3kd2 h ALA 147 Ca -0.23 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3kd2 h ALA 147 Cb 1.07 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 3kd2 h ALA 147 CO 0.57 -0.38 -0.68 1.03 0.00 0.00 0.00 179.25 179.79 3kd2 s ARG 148 N -3.14 0.55 -0.02 0.00 0.52 -1.26 -4.16 118.95 111.44 3kd2 s ARG 148 Ca -0.09 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3kd2 s ARG 148 Cb 0.01 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.68 3kd2 s ARG 148 CO 0.29 -0.10 -0.00 -1.17 0.02 0.00 0.00 175.30 174.34 3kd2 s LEU 149 N -2.63 1.38 -0.15 2.53 2.96 -0.79 -1.41 118.68 120.58 3kd2 s LEU 149 Ca 0.03 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3kd2 s LEU 149 Cb 0.04 -0.17 0.03 0.00 0.50 0.00 0.00 46.19 46.59 3kd2 s LEU 149 CO -0.08 -0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.08 3kd2 s VAL 150 N 0.73 1.36 -0.08 1.68 1.01 0.88 -0.87 120.40 125.11 3kd2 s VAL 150 Ca -0.07 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3kd2 s VAL 150 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3kd2 s VAL 150 CO -0.01 0.35 -0.14 -0.31 0.00 0.00 0.00 175.10 174.98 3kd2 s TYR 151 N 1.56 2.72 -0.03 5.22 2.02 -0.41 -1.16 117.35 127.28 3kd2 s TYR 151 Ca 0.04 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3kd2 s TYR 151 Cb -0.13 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 3kd2 s TYR 151 CO -0.09 0.04 0.07 0.00 -1.57 0.00 0.00 175.55 173.99 3kd2 s MET 152 N -0.35 0.03 -0.98 -0.62 0.23 -0.70 -1.57 119.30 115.35 3kd2 s MET 152 Ca 0.03 0.18 -0.05 0.00 -1.03 0.00 0.00 55.69 54.82 3kd2 s MET 152 Cb -0.13 -0.12 -0.06 0.00 -1.53 0.00 0.00 34.83 33.00 3kd2 s MET 152 CO 0.02 -0.10 0.86 0.39 -2.03 0.00 0.00 175.02 174.16 3kd2 n GLU 153 N 3.71 -2.35 0.00 3.16 -0.58 -0.91 -1.93 120.64 121.74 3kd2 n GLU 153 Ca -0.21 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 3kd2 n GLU 153 Cb 0.54 -5.52 0.00 0.00 -0.57 0.00 0.00 31.44 25.90 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 -3.15 0.00 -1.77 0.62 0.00 -1.26 -3.03 120.51 111.92 3kd2 n ALA 154 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.98 3kd2 n ALA 154 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.50 4.27 0.20 0.00 0.05 -1.26 -4.93 135.00 131.82 3kd2 s PRO 155 Ca 0.00 1.78 -0.30 0.00 0.05 0.00 0.00 61.00 62.52 3kd2 s PRO 155 Cb 0.00 -2.82 -0.09 0.00 0.05 0.00 0.00 34.50 31.64 3kd2 s PRO 155 CO 0.00 -0.12 1.39 0.42 0.05 0.00 0.00 177.00 178.74 3kd2 s ILE 156 N -1.38 2.99 -0.21 0.56 1.01 -1.26 -4.76 121.20 118.16 3kd2 s ILE 156 Ca 0.53 0.80 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 3kd2 s ILE 156 Cb -0.30 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 3kd2 s ILE 156 CO 0.38 0.11 2.19 -2.65 0.00 0.00 0.00 174.94 174.97 3kd2 n PRO 157 N 2.83 1.95 -1.52 2.79 -0.02 -1.26 -4.87 135.00 134.89 3kd2 n PRO 157 Ca 0.08 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 3kd2 n PRO 157 Cb 0.41 -3.12 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 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 11.06 -0.27 0.30 2.55 5.68 -1.26 -4.39 116.55 130.22 3kd2 n ASP 158 Ca 0.30 -1.22 0.19 0.00 -0.50 0.00 0.00 54.79 53.56 3kd2 n ASP 158 Cb 0.42 0.45 1.03 0.00 -1.14 0.00 0.00 41.12 41.88 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 1.85 1.32 -0.34 2.12 0.00 -1.90 -2.27 119.26 120.04 3kd2 h ALA 159 Ca -0.04 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kd2 h ALA 159 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kd2 h ALA 159 CO 0.05 -0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.45 3kd2 h ARG 160 N 0.00 0.22 0.00 0.00 3.08 -1.96 -1.81 114.38 113.91 3kd2 h ARG 160 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kd2 h ARG 160 Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kd2 h ARG 160 CO -0.00 0.15 0.00 -0.84 -1.07 0.00 0.00 179.97 178.21 3kd2 h ILE 161 N 0.23 0.00 -0.00 2.04 3.07 -1.74 -1.22 117.51 119.89 3kd2 h ILE 161 Ca 0.15 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.31 3kd2 h ILE 161 Cb 0.31 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 3kd2 h ILE 161 CO -0.03 0.00 -0.01 -1.22 -1.05 0.00 0.00 178.15 175.84 3kd2 n TYR 162 N -3.04 0.00 0.91 0.16 4.01 -0.68 -3.42 117.16 115.10 3kd2 n TYR 162 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 3kd2 n TYR 162 Cb 0.19 -0.14 -0.09 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.06 0.76 -2.12 -0.72 5.12 -0.46 -4.95 116.66 113.23 3kd2 n ARG 163 Ca 0.19 -0.18 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 3kd2 n ARG 163 Cb 0.19 -1.41 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 3kd2 n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3kd2 s PHE 164 N -2.72 2.98 0.44 -1.55 0.08 -1.22 -5.00 117.98 110.99 3kd2 s PHE 164 Ca 0.09 1.43 -0.21 0.00 0.12 0.00 0.00 56.93 58.36 3kd2 s PHE 164 Cb 0.15 -3.64 -0.10 0.00 -0.57 0.00 0.00 43.02 38.86 3kd2 s PHE 164 CO 0.74 -1.86 0.99 -1.25 -0.10 0.00 0.00 175.22 173.74 3kd2 s PRO 165 N -1.98 4.09 0.42 0.24 0.04 -1.26 -4.97 135.00 131.58 3kd2 s PRO 165 Ca 0.52 1.27 0.23 0.00 0.04 0.00 0.00 61.00 63.06 3kd2 s PRO 165 Cb -0.38 -2.24 0.65 0.00 0.04 0.00 0.00 34.50 32.57 3kd2 s PRO 165 CO 0.50 -0.17 1.71 0.00 0.04 0.00 0.00 177.00 179.08 3kd2 h ALA 166 N 1.95 0.93 -2.07 8.56 0.00 -1.97 -3.43 119.26 123.23 3kd2 h ALA 166 Ca -0.49 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 3kd2 h ALA 166 Cb 1.20 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.76 3kd2 h ALA 166 CO 0.61 0.27 0.13 0.12 0.00 0.00 0.00 179.25 180.37 3kd2 s PHE 167 N -3.39 -0.63 0.24 0.00 5.36 -1.26 -4.31 117.98 113.99 3kd2 s PHE 167 Ca 0.03 1.16 0.05 0.00 -0.96 0.00 0.00 56.93 57.20 3kd2 s PHE 167 Cb 0.08 0.35 -0.05 0.00 -0.34 0.00 0.00 43.02 43.06 3kd2 s PHE 167 CO 0.66 -0.55 -0.03 0.95 -1.46 0.00 0.00 175.22 174.79 3kd2 s THR 168 N -0.95 1.28 -0.41 0.12 -4.23 -0.50 -4.88 115.64 106.06 3kd2 s THR 168 Ca -0.09 -2.07 0.17 0.00 -1.18 0.00 0.00 61.69 58.52 3kd2 s THR 168 Cb -0.01 -2.35 0.18 0.00 1.34 0.00 0.00 72.50 71.65 3kd2 s THR 168 CO 0.08 -0.35 1.53 0.00 -0.54 0.00 0.00 174.62 175.35 3kd2 n ALA 169 N -0.47 1.13 0.46 3.99 0.00 -1.26 -1.31 120.51 123.05 3kd2 n ALA 169 Ca -0.06 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3kd2 n ALA 169 Cb 0.63 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.09 0.36 0.00 0.00 3.00 -1.26 -5.10 117.38 112.29 3kd2 n GLN 170 Ca -0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 3kd2 n GLN 170 Cb 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.77 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 1.37 0.42 3.74 1.08 0.00 -0.43 -5.09 105.19 106.28 3kd2 n GLY 171 Ca -0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 2.52 -2.17 1.61 0.28 -1.26 -1.41 120.64 120.21 3kd2 n GLU 172 Ca 0.00 0.89 -0.27 0.00 -0.16 0.00 0.00 57.16 57.61 3kd2 n GLU 172 Cb 0.00 -2.60 0.15 0.00 1.43 0.00 0.00 31.44 30.43 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 0.03 3.63 0.12 -1.84 1.04 -1.26 -4.76 113.70 110.65 3kd2 s SER 173 Ca 0.58 0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.93 3kd2 s SER 173 Cb -0.51 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.30 3kd2 s SER 173 CO 0.59 -2.38 1.46 -0.07 0.98 0.00 0.00 173.24 173.82 3kd2 h LEU 174 N -1.21 0.84 -2.90 2.42 3.38 -1.94 -3.37 115.31 112.53 3kd2 h LEU 174 Ca -0.42 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.09 3kd2 h LEU 174 Cb 1.25 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 3kd2 h LEU 174 CO 0.40 1.11 -0.41 1.33 0.09 0.00 0.00 178.44 180.96 3kd2 n VAL 175 N -4.22 1.58 0.25 1.22 0.24 -1.26 -4.67 118.33 111.47 3kd2 n VAL 175 Ca -0.03 -2.29 0.15 0.00 -2.04 0.00 0.00 64.34 60.14 3kd2 n VAL 175 Cb 0.47 0.00 0.85 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.57 0.00 0.00 6.34 5.08 -1.82 -1.35 115.95 124.77 3kd2 h TRP 176 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.94 3kd2 h TRP 176 Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 3kd2 h TRP 176 CO 0.36 0.00 0.00 1.12 -1.28 0.00 0.00 178.44 178.64 3kd2 h HIS 177 N 0.00 0.00 -0.44 0.12 2.07 -1.90 -2.26 115.15 112.74 3kd2 h HIS 177 Ca 0.04 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.65 3kd2 h HIS 177 Cb 0.23 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.13 3kd2 h HIS 177 CO 0.00 0.00 -0.10 0.74 -3.07 0.00 0.00 177.93 175.50 3kd2 h PHE 178 N 0.00 -0.22 -0.19 6.12 -1.00 -1.61 0.19 116.94 120.23 3kd2 h PHE 178 Ca 0.00 0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 3kd2 h PHE 178 Cb 0.29 0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.02 3kd2 h PHE 178 CO 0.00 -0.18 -0.18 0.77 -1.61 0.00 0.00 178.31 177.10 3kd2 h SER 179 N 0.01 0.48 -0.27 2.17 0.02 -1.60 -1.19 113.55 113.17 3kd2 h SER 179 Ca 0.21 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.75 3kd2 h SER 179 Cb 0.33 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 3kd2 h SER 179 CO -0.45 0.86 -0.12 0.15 -1.14 0.00 0.00 176.83 176.13 3kd2 h PHE 180 N 0.11 -0.28 -0.05 3.45 3.57 -1.38 -1.12 116.94 121.24 3kd2 h PHE 180 Ca 0.03 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3kd2 h PHE 180 Cb 0.72 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3kd2 h PHE 180 CO 0.08 -0.18 -0.61 0.74 -2.23 0.00 0.00 178.31 176.11 3kd2 h PHE 181 N -0.08 0.22 0.00 0.41 0.04 -0.63 -3.10 116.94 113.80 3kd2 h PHE 181 Ca 0.14 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3kd2 h PHE 181 Cb 0.29 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3kd2 h PHE 181 CO -0.31 0.73 -0.10 0.00 -0.60 0.00 0.00 178.31 178.03 3kd2 n ALA 182 N -2.46 2.41 -1.74 2.45 0.00 -0.45 -4.59 120.51 116.14 3kd2 n ALA 182 Ca -0.02 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 3kd2 n ALA 182 Cb 0.62 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.70 3kd2 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd2 n ALA 183 N -1.74 1.47 -0.87 0.00 0.00 -0.45 -4.80 120.51 114.11 3kd2 n ALA 183 Ca 0.05 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 3kd2 n ALA 183 Cb 0.42 -2.35 0.26 0.00 0.00 0.00 0.00 19.45 17.78 3kd2 n ALA 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kd2 s ASP 184 N -1.06 0.06 -1.11 0.00 -0.00 -1.26 -4.12 116.67 109.18 3kd2 s ASP 184 Ca 0.75 0.59 0.00 0.00 -0.00 0.00 0.00 52.55 53.89 3kd2 s ASP 184 Cb -0.40 -0.78 0.00 0.00 -0.00 0.00 0.00 42.92 41.74 3kd2 s ASP 184 CO 0.46 -4.64 0.00 0.47 -0.00 0.00 0.00 175.17 171.46 3kd2 n ASP 185 N -5.11 -4.88 -4.05 0.27 8.00 -1.26 -2.02 116.55 107.50 3kd2 n ASP 185 Ca 0.15 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.59 3kd2 n ASP 185 Cb 0.60 -3.30 -0.01 0.00 -0.02 0.00 0.00 41.12 38.39 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 -1.87 -3.88 -0.06 -1.24 1.74 -1.26 -4.86 116.66 105.24 3kd2 n ARG 186 Ca -0.10 0.45 -0.08 0.00 -0.77 0.00 0.00 57.85 57.35 3kd2 n ARG 186 Cb 0.45 -5.05 -0.01 0.00 -1.02 0.00 0.00 32.46 26.82 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 -1.75 -0.70 -0.13 0.55 5.85 -1.56 -1.44 115.31 116.13 3kd2 h LEU 187 Ca -0.60 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3kd2 h LEU 187 Cb 1.38 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3kd2 h LEU 187 CO 0.70 -0.25 0.06 0.00 -0.34 0.00 0.00 178.44 178.61 3kd2 h ALA 188 N 0.90 0.17 -0.65 1.25 0.00 -1.86 -1.77 119.26 117.31 3kd2 h ALA 188 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kd2 h ALA 188 Cb 0.43 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kd2 h ALA 188 CO -0.39 -0.26 0.39 0.93 0.00 0.00 0.00 179.25 179.93 3kd2 h GLU 189 N 0.07 0.88 -0.75 0.00 3.07 -1.90 -0.14 114.58 115.81 3kd2 h GLU 189 Ca 0.04 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 3kd2 h GLU 189 Cb 0.14 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 3kd2 h GLU 189 CO -0.00 0.63 0.28 1.15 -1.40 0.00 0.00 179.01 179.66 3kd2 h THR 190 N 0.88 1.25 0.09 1.13 2.02 -1.06 0.17 112.91 117.39 3kd2 h THR 190 Ca 0.23 -0.83 -0.26 0.00 0.77 0.00 0.00 66.41 66.33 3kd2 h THR 190 Cb -0.02 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3kd2 h THR 190 CO -0.04 0.33 -1.15 -0.07 0.37 0.00 0.00 175.52 174.96 3kd2 h LEU 191 N 1.09 0.42 0.00 2.58 3.38 -1.17 -3.37 115.31 118.24 3kd2 h LEU 191 Ca 0.25 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 3kd2 h LEU 191 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kd2 h LEU 191 CO -0.02 1.29 -1.50 -0.38 0.09 0.00 0.00 178.44 177.92 3kd2 n ILE 192 N -3.58 0.95 -1.64 1.22 5.41 -0.08 -4.76 119.36 116.88 3kd2 n ILE 192 Ca -0.07 -0.66 -0.50 0.00 1.00 0.00 0.00 62.75 62.52 3kd2 n ILE 192 Cb 0.97 -0.54 -0.05 0.00 -0.71 0.00 0.00 39.64 39.30 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 -2.37 0.22 -0.09 -1.39 0.00 0.57 -0.27 120.51 117.19 3kd2 n ALA 193 Ca -0.09 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kd2 n ALA 193 Cb 0.78 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 3.25 2.04 0.93 0.00 0.00 -1.26 -4.80 105.19 105.36 3kd2 n GLY 194 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 0.85 -0.20 1.61 5.02 0.63 -4.87 118.16 119.20 3kd2 n LYS 195 Ca 0.00 -2.63 -0.07 0.00 -2.02 0.00 0.00 58.31 53.59 3kd2 n LYS 195 Cb 0.00 -0.90 0.03 0.00 -0.02 0.00 0.00 35.03 34.13 3kd2 n LYS 195 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kd2 h GLU 196 N 0.90 0.85 -0.37 1.97 3.07 -1.79 -0.66 114.58 118.54 3kd2 h GLU 196 Ca -0.09 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 3kd2 h GLU 196 Cb 1.39 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 3kd2 h GLU 196 CO 0.04 0.72 0.14 -0.09 -1.40 0.00 0.00 179.01 178.41 3kd2 h ARG 197 N 0.79 0.56 -0.06 2.33 9.65 -1.89 -0.35 114.38 125.40 3kd2 h ARG 197 Ca 0.19 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3kd2 h ARG 197 Cb 0.17 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3kd2 h ARG 197 CO -0.02 0.55 0.04 0.35 2.80 0.00 0.00 179.97 183.69 3kd2 h PHE 198 N 0.45 0.08 -0.49 2.20 3.57 -1.90 -2.63 116.94 118.23 3kd2 h PHE 198 Ca 0.12 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3kd2 h PHE 198 Cb 0.21 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3kd2 h PHE 198 CO 0.00 0.10 0.14 0.35 -2.23 0.00 0.00 178.31 176.67 3kd2 h PHE 199 N 0.05 0.80 -0.66 0.41 3.57 -0.98 -2.61 116.94 117.52 3kd2 h PHE 199 Ca 0.02 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 3kd2 h PHE 199 Cb 0.04 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3kd2 h PHE 199 CO -0.06 0.71 0.15 1.25 -2.23 0.00 0.00 178.31 178.13 3kd2 h LEU 200 N 0.66 1.00 -0.54 0.59 5.85 -1.05 0.80 115.31 122.62 3kd2 h LEU 200 Ca 0.16 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3kd2 h LEU 200 Cb 0.29 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3kd2 h LEU 200 CO -0.00 0.98 0.35 -0.08 -0.34 0.00 0.00 178.44 179.35 3kd2 h GLU 201 N 0.98 0.72 -0.21 1.25 4.81 -1.38 0.63 114.58 121.39 3kd2 h GLU 201 Ca 0.21 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3kd2 h GLU 201 Cb 0.37 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3kd2 h GLU 201 CO 0.00 0.49 0.07 1.25 -0.73 0.00 0.00 179.01 180.09 3kd2 h HIS 202 N 0.73 0.33 -0.22 0.92 2.76 -1.06 -1.28 115.15 117.34 3kd2 h HIS 202 Ca 0.20 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3kd2 h HIS 202 Cb -0.06 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3kd2 h HIS 202 CO -0.03 0.40 0.13 0.35 -1.30 0.00 0.00 177.93 177.48 3kd2 h PHE 203 N 0.16 0.25 0.10 5.26 3.04 -0.62 -0.00 116.94 125.13 3kd2 h PHE 203 Ca 0.07 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 3kd2 h PHE 203 Cb 0.22 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.65 3kd2 h PHE 203 CO -0.00 0.15 -0.05 0.82 -2.02 0.00 0.00 178.31 177.21 3kd2 h ILE 204 N 0.27 1.05 -0.23 1.41 2.04 -0.85 -2.88 117.51 118.32 3kd2 h ILE 204 Ca 0.08 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 3kd2 h ILE 204 Cb -0.02 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3kd2 h ILE 204 CO -0.03 0.14 -0.17 0.11 0.00 0.00 0.00 178.15 178.20 3kd2 h LYS 205 N -0.41 0.39 0.00 2.37 1.57 -1.18 -1.82 116.57 117.48 3kd2 h LYS 205 Ca -0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3kd2 h LYS 205 Cb 0.34 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3kd2 h LYS 205 CO 0.02 0.55 -0.03 0.66 -0.57 0.00 0.00 179.45 180.09 3kd2 h SER 206 N 0.36 0.00 -0.51 0.86 4.64 -0.96 -2.14 113.55 115.79 3kd2 h SER 206 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kd2 h SER 206 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3kd2 h SER 206 CO 0.03 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 177.43 3kd2 n HIS 207 N -3.16 1.22 -4.34 4.77 8.25 -0.71 -4.57 115.22 116.67 3kd2 n HIS 207 Ca -0.00 -0.65 -0.27 0.00 -0.26 0.00 0.00 57.72 56.54 3kd2 n HIS 207 Cb 0.26 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.93 2.79 -0.23 -1.41 0.00 -0.81 -1.05 121.76 119.12 3kd2 s ALA 208 Ca 0.44 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 3kd2 s ALA 208 Cb 0.30 -0.57 -0.10 0.00 0.00 0.00 0.00 23.12 22.74 3kd2 s ALA 208 CO 0.19 0.45 -0.30 0.45 0.00 0.00 0.00 175.76 176.56 3kd2 n SER 209 N 0.11 1.70 -4.20 0.00 2.88 -1.11 -4.61 113.62 108.38 3kd2 n SER 209 Ca -0.11 0.26 -0.44 0.00 -1.33 0.00 0.00 58.87 57.25 3kd2 n SER 209 Cb 0.56 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 3kd2 n SER 209 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3kd2 n ASN 210 N -3.99 5.52 0.26 -3.46 3.02 -1.26 -4.83 115.26 110.52 3kd2 n ASN 210 Ca -0.46 -3.11 0.14 0.00 -0.03 0.00 0.00 54.58 51.12 3kd2 n ASN 210 Cb 0.83 -1.44 0.69 0.00 -0.61 0.00 0.00 39.78 39.25 3kd2 n ASN 210 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3kd2 h THR 211 N 3.92 0.36 -0.07 3.41 1.35 -1.91 -3.21 112.91 116.76 3kd2 h THR 211 Ca 0.28 -0.65 0.02 0.00 -0.55 0.00 0.00 66.41 65.51 3kd2 h THR 211 Cb 0.76 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3kd2 h THR 211 CO 1.30 0.11 0.06 1.05 -0.25 0.00 0.00 175.52 177.79 3kd2 h GLU 212 N 0.00 0.00 0.00 4.72 9.09 -2.00 -1.61 114.58 124.78 3kd2 h GLU 212 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kd2 h GLU 212 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3kd2 h GLU 212 CO 0.01 0.00 0.00 -0.39 0.05 0.00 0.00 179.01 178.68 3kd2 h VAL 213 N 0.00 0.00 -2.16 -1.06 -1.51 -1.91 -3.34 116.25 106.27 3kd2 h VAL 213 Ca 0.03 -0.28 -0.76 0.00 -1.23 0.00 0.00 66.70 64.46 3kd2 h VAL 213 Cb 0.16 1.08 -0.20 0.00 -2.13 0.00 0.00 31.29 30.21 3kd2 h VAL 213 CO -0.00 0.00 1.41 0.49 -1.23 0.00 0.00 177.57 178.24 3kd2 n PHE 214 N -2.50 3.89 -1.01 5.19 3.72 -0.61 -4.96 117.46 121.18 3kd2 n PHE 214 Ca 0.01 -3.11 -0.32 0.00 -0.05 0.00 0.00 57.45 53.98 3kd2 n PHE 214 Cb 0.23 -1.91 0.13 0.00 -0.94 0.00 0.00 39.48 37.00 3kd2 n PHE 214 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kd2 s SER 215 N 1.26 3.51 0.37 4.37 1.04 -1.26 -4.78 113.70 118.22 3kd2 s SER 215 Ca 0.38 2.23 0.07 0.00 0.48 0.00 0.00 55.95 59.11 3kd2 s SER 215 Cb 0.02 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.35 3kd2 s SER 215 CO 0.01 -2.72 1.98 -0.33 0.98 0.00 0.00 173.24 173.16 3kd2 h GLU 216 N -1.24 0.68 -0.17 4.02 4.39 -1.95 -1.01 114.58 119.30 3kd2 h GLU 216 Ca -0.45 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 3kd2 h GLU 216 Cb 1.28 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3kd2 h GLU 216 CO 0.45 0.45 0.09 -0.09 -1.16 0.00 0.00 179.01 178.75 3kd2 h ARG 217 N 0.70 0.23 -0.54 2.33 2.43 -1.99 -0.27 114.38 117.26 3kd2 h ARG 217 Ca 0.29 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3kd2 h ARG 217 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3kd2 h ARG 217 CO -0.09 0.23 -0.07 1.25 -1.51 0.00 0.00 179.97 179.79 3kd2 h LEU 218 N 0.17 1.00 -1.00 3.80 5.85 -1.78 -2.70 115.31 120.65 3kd2 h LEU 218 Ca 0.06 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 3kd2 h LEU 218 Cb 0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3kd2 h LEU 218 CO -0.01 1.10 0.11 -0.07 -0.34 0.00 0.00 178.44 179.23 3kd2 h LEU 219 N 0.88 0.78 -0.55 2.25 3.38 -1.09 -2.35 115.31 118.62 3kd2 h LEU 219 Ca 0.15 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kd2 h LEU 219 Cb 0.63 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3kd2 h LEU 219 CO 0.04 0.78 0.33 0.44 0.09 0.00 0.00 178.44 180.13 3kd2 h ASP 220 N 0.80 0.54 0.11 -0.43 3.32 -0.85 0.21 116.42 120.12 3kd2 h ASP 220 Ca 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3kd2 h ASP 220 Cb 0.32 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3kd2 h ASP 220 CO 0.00 0.38 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.77 3kd2 h LEU 221 N 0.66 -0.14 -0.56 1.55 3.38 -1.14 -1.46 115.31 117.60 3kd2 h LEU 221 Ca 0.22 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3kd2 h LEU 221 Cb 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kd2 h LEU 221 CO -0.10 -0.10 0.08 1.88 0.09 0.00 0.00 178.44 180.29 3kd2 h TYR 222 N -0.16 1.00 -0.57 1.13 0.05 -1.28 -3.11 116.97 114.03 3kd2 h TYR 222 Ca -0.01 -0.14 -0.05 0.00 0.05 0.00 0.00 58.73 58.57 3kd2 h TYR 222 Cb 0.13 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 3kd2 h TYR 222 CO -0.07 0.88 0.16 0.00 -1.05 0.00 0.00 178.16 178.08 3kd2 h ALA 223 N 0.99 0.75 -0.82 3.88 0.00 -0.85 -2.67 119.26 120.54 3kd2 h ALA 223 Ca 0.17 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kd2 h ALA 223 Cb 0.43 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3kd2 h ALA 223 CO 0.01 0.44 0.54 0.00 0.00 0.00 0.00 179.25 180.24 3kd2 h ARG 224 N 0.82 0.94 -0.00 0.00 3.08 -1.24 -1.60 114.38 116.37 3kd2 h ARG 224 Ca 0.18 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3kd2 h ARG 224 Cb 0.32 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kd2 h ARG 224 CO -0.00 0.62 -0.00 1.03 -1.07 0.00 0.00 179.97 180.55 3kd2 h SER 225 N 0.97 0.01 0.28 7.04 0.87 -1.41 -3.22 113.55 118.09 3kd2 h SER 225 Ca 0.34 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3kd2 h SER 225 Cb 0.11 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3kd2 h SER 225 CO -0.11 0.44 -0.05 0.00 -0.53 0.00 0.00 176.83 176.58 3kd2 n TYR 226 N -4.88 0.00 0.62 2.24 -0.00 -1.07 -2.96 117.16 111.11 3kd2 n TYR 226 Ca -0.08 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.95 3kd2 n TYR 226 Cb 0.23 -0.14 0.40 0.00 -0.00 0.00 0.00 39.34 39.82 3kd2 n TYR 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kd2 n ALA 227 N -0.93 2.28 -1.68 -3.48 0.00 -0.61 -2.26 120.51 113.83 3kd2 n ALA 227 Ca 0.17 -0.02 -0.47 0.00 0.00 0.00 0.00 53.44 53.12 3kd2 n ALA 227 Cb 0.23 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 3kd2 n ALA 227 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kd2 n LYS 228 N -2.29 2.17 -0.26 0.00 5.02 -1.15 -4.78 118.16 116.87 3kd2 n LYS 228 Ca 0.06 0.79 0.07 0.00 -2.02 0.00 0.00 58.31 57.21 3kd2 n LYS 228 Cb 0.43 -2.61 0.21 0.00 -0.02 0.00 0.00 35.03 33.05 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 7.84 0.32 0.00 1.97 0.11 -1.92 0.35 132.00 140.67 3kd2 h PRO 229 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3kd2 h PRO 229 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kd2 h PRO 229 CO 0.92 0.21 -0.22 1.12 -0.21 0.00 0.00 178.00 179.83 3kd2 h HIS 230 N 0.33 0.00 0.16 0.65 2.07 -1.92 -1.66 115.15 114.79 3kd2 h HIS 230 Ca 0.45 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.67 3kd2 h HIS 230 Cb 0.76 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.78 3kd2 h HIS 230 CO -0.22 0.22 -1.25 0.77 -3.07 0.00 0.00 177.93 174.38 3kd2 h SER 231 N 0.00 0.82 -0.35 3.10 0.02 -0.50 -0.80 113.55 115.84 3kd2 h SER 231 Ca -0.00 -0.87 -0.00 0.00 -0.84 0.00 0.00 61.79 60.08 3kd2 h SER 231 Cb 0.54 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3kd2 h SER 231 CO 0.03 1.61 0.21 0.25 -1.14 0.00 0.00 176.83 177.79 3kd2 h LEU 232 N 0.14 0.42 -0.35 5.07 5.85 -0.50 -0.32 115.31 125.61 3kd2 h LEU 232 Ca -0.20 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3kd2 h LEU 232 Cb 1.95 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 3kd2 h LEU 232 CO 0.24 0.35 0.08 -1.13 -0.34 0.00 0.00 178.44 177.63 3kd2 h ASN 233 N 0.45 0.54 -0.50 1.25 -0.73 -1.37 -3.07 115.58 112.15 3kd2 h ASN 233 Ca 0.12 -0.24 0.04 0.00 1.87 0.00 0.00 56.30 58.10 3kd2 h ASN 233 Cb 0.01 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.41 3kd2 h ASN 233 CO -0.02 0.64 0.25 0.00 -0.37 0.00 0.00 177.43 177.93 3kd2 h ALA 234 N 0.92 0.63 -0.71 1.57 0.00 -0.96 -1.73 119.26 118.98 3kd2 h ALA 234 Ca 0.11 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.20 3kd2 h ALA 234 Cb 0.32 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.92 3kd2 h ALA 234 CO 0.00 -0.10 -0.03 0.77 0.00 0.00 0.00 179.25 179.89 3kd2 h SER 235 N 0.48 -0.38 1.52 0.00 0.02 -0.97 -1.84 113.55 112.39 3kd2 h SER 235 Ca 0.22 0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.27 3kd2 h SER 235 Cb 0.13 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3kd2 h SER 235 CO -0.16 -0.17 -0.43 -0.26 -1.14 0.00 0.00 176.83 174.67 3kd2 h PHE 236 N 0.09 0.00 0.00 3.45 0.04 -1.38 -3.17 116.94 115.96 3kd2 h PHE 236 Ca 0.38 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.11 3kd2 h PHE 236 Cb 0.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 3kd2 h PHE 236 CO -0.43 0.43 -0.16 0.93 -0.60 0.00 0.00 178.31 178.48 3kd2 h GLU 237 N 0.00 0.00 -0.50 1.51 4.39 -0.46 -1.06 114.58 118.46 3kd2 h GLU 237 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3kd2 h GLU 237 Cb 1.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 3kd2 h GLU 237 CO 0.06 0.16 0.23 1.88 -1.16 0.00 0.00 179.01 180.18 3kd2 h TYR 238 N 0.00 0.69 0.00 4.33 0.05 -1.49 -1.47 116.97 119.08 3kd2 h TYR 238 Ca -0.00 -0.02 -0.22 0.00 0.05 0.00 0.00 58.73 58.54 3kd2 h TYR 238 Cb 0.31 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3kd2 h TYR 238 CO 0.00 0.52 -1.10 1.88 -1.05 0.00 0.00 178.16 178.41 3kd2 h TYR 239 N 0.70 0.00 0.00 4.88 0.05 -1.42 -2.92 116.97 118.26 3kd2 h TYR 239 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3kd2 h TYR 239 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3kd2 h TYR 239 CO 0.01 0.99 0.00 0.00 -1.05 0.00 0.00 178.16 178.10 3kd2 h ARG 240 N 0.00 0.00 -0.04 4.88 3.08 -0.82 -2.40 114.38 119.09 3kd2 h ARG 240 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3kd2 h ARG 240 Cb 1.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.85 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 -1.98 2.46 -0.17 0.04 0.00 -0.59 -4.63 120.51 115.63 3kd2 n ALA 241 Ca 0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 3kd2 n ALA 241 Cb 0.29 -0.80 0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 4.62 0.43 -1.08 0.00 5.85 -1.23 -0.29 115.31 123.61 3kd2 h LEU 242 Ca 0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3kd2 h LEU 242 Cb 0.98 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3kd2 h LEU 242 CO 0.00 0.30 0.04 0.78 -0.34 0.00 0.00 178.44 179.22 3kd2 h ASN 243 N 0.56 0.66 -0.64 1.25 -0.26 -1.82 -0.26 115.58 115.06 3kd2 h ASN 243 Ca 0.22 -0.13 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 3kd2 h ASN 243 Cb 0.10 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.16 3kd2 h ASN 243 CO -0.14 0.70 0.22 -0.08 -1.06 0.00 0.00 177.43 177.07 3kd2 h GLU 244 N 0.67 0.98 -0.82 0.81 4.81 -1.67 -1.92 114.58 117.44 3kd2 h GLU 244 Ca 0.14 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3kd2 h GLU 244 Cb 0.35 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 3kd2 h GLU 244 CO 0.01 0.85 0.42 0.77 -0.73 0.00 0.00 179.01 180.33 3kd2 h SER 245 N 0.91 1.05 -0.33 1.04 0.02 -0.39 -0.48 113.55 115.37 3kd2 h SER 245 Ca 0.21 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3kd2 h SER 245 Cb 0.27 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3kd2 h SER 245 CO -0.01 0.86 0.20 0.58 -1.14 0.00 0.00 176.83 177.33 3kd2 h VAL 246 N 1.16 1.06 -0.76 2.27 2.07 -0.77 0.02 116.25 121.30 3kd2 h VAL 246 Ca 0.29 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3kd2 h VAL 246 Cb 0.08 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3kd2 h VAL 246 CO -0.04 0.08 0.40 0.03 0.02 0.00 0.00 177.57 178.06 3kd2 h ARG 247 N 0.42 1.06 -0.21 1.57 3.08 -0.86 -1.89 114.38 117.55 3kd2 h ARG 247 Ca 0.12 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kd2 h ARG 247 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3kd2 h ARG 247 CO -0.04 0.80 0.13 1.96 -1.07 0.00 0.00 179.97 181.75 3kd2 h GLN 248 N 1.05 0.29 0.00 0.04 4.20 -0.78 -3.01 115.11 116.90 3kd2 h GLN 248 Ca 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 3kd2 h GLN 248 Cb 0.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kd2 h GLN 248 CO -0.04 0.23 -0.03 -0.91 -0.67 0.00 0.00 178.83 177.41 3kd2 h ASN 249 N 0.26 0.00 -0.35 1.46 2.35 -0.63 -2.24 115.58 116.43 3kd2 h ASN 249 Ca 0.08 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3kd2 h ASN 249 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3kd2 h ASN 249 CO -0.01 0.03 0.06 0.00 -1.65 0.00 0.00 177.43 175.85 3kd2 h ALA 250 N 1.97 1.31 0.02 -0.83 0.00 -1.21 -0.81 119.26 119.71 3kd2 h ALA 250 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kd2 h ALA 250 Cb 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kd2 h ALA 250 CO 0.00 0.48 -0.01 0.93 0.00 0.00 0.00 179.25 180.66 3kd2 h GLU 251 N 0.64 -0.02 -0.55 0.00 4.39 -1.50 -3.37 114.58 114.17 3kd2 h GLU 251 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3kd2 h GLU 251 Cb 0.30 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3kd2 h GLU 251 CO 0.00 0.75 0.36 -0.07 -1.16 0.00 0.00 179.01 178.90 3kd2 h LEU 252 N -0.90 0.64 0.00 1.33 3.38 -1.41 -2.55 115.31 115.80 3kd2 h LEU 252 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kd2 h LEU 252 Cb 0.78 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kd2 h LEU 252 CO 0.00 0.47 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3kd2 n ALA 253 N -2.45 2.14 0.47 1.53 0.00 -0.32 -2.46 120.51 119.41 3kd2 n ALA 253 Ca 0.05 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.49 3kd2 n ALA 253 Cb 0.05 -1.28 0.42 0.00 0.00 0.00 0.00 19.45 18.64 3kd2 n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kd2 n LYS 254 N -1.01 0.11 -4.29 0.00 5.02 -0.96 -4.43 118.16 112.60 3kd2 n LYS 254 Ca 0.13 0.33 -0.33 0.00 -2.02 0.00 0.00 58.31 56.42 3kd2 n LYS 254 Cb 0.06 -1.71 -0.16 0.00 -0.02 0.00 0.00 35.03 33.20 3kd2 n LYS 254 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kd2 s THR 255 N -3.17 2.42 0.55 -0.18 2.01 -1.03 -5.12 115.64 111.11 3kd2 s THR 255 Ca 0.06 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 3kd2 s THR 255 Cb 0.10 -2.02 -0.06 0.00 0.01 0.00 0.00 72.50 70.52 3kd2 s THR 255 CO 0.35 0.52 1.02 -0.13 -0.69 0.00 0.00 174.62 175.69 3kd2 s ARG 256 N 1.11 3.67 0.11 4.92 0.52 -1.26 -5.02 118.95 122.99 3kd2 s ARG 256 Ca 0.00 1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 56.00 3kd2 s ARG 256 Cb -0.14 -2.09 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 3kd2 s ARG 256 CO -0.06 -0.51 1.09 -0.51 0.02 0.00 0.00 175.30 175.32 3kd2 s LEU 257 N -4.22 4.44 -0.02 2.53 1.43 0.11 -4.92 118.68 118.03 3kd2 s LEU 257 Ca 0.61 1.97 0.17 0.00 -1.03 0.00 0.00 54.13 55.85 3kd2 s LEU 257 Cb -0.13 -3.59 -0.24 0.00 0.03 0.00 0.00 46.19 42.26 3kd2 s LEU 257 CO 0.33 -0.27 0.49 0.00 0.23 0.00 0.00 176.35 177.13 3kd2 n GLN 258 N 3.03 0.86 -2.61 1.70 1.13 -1.26 -1.48 117.38 118.76 3kd2 n GLN 258 Ca 0.05 -0.10 -0.29 0.00 -1.94 0.00 0.00 57.00 54.72 3kd2 n GLN 258 Cb 0.47 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.97 3.63 0.26 -1.09 0.23 -1.26 -4.76 119.30 113.34 3kd2 s MET 259 Ca -0.02 0.37 -0.31 0.00 -1.03 0.00 0.00 55.69 54.70 3kd2 s MET 259 Cb 0.11 -2.34 -0.12 0.00 -1.53 0.00 0.00 34.83 30.95 3kd2 s MET 259 CO 0.70 -0.20 1.57 -2.30 -2.03 0.00 0.00 175.02 172.77 3kd2 n PRO 260 N -2.00 2.51 -4.32 3.16 -0.02 -1.26 -4.56 135.00 128.52 3kd2 n PRO 260 Ca 0.02 0.90 -0.18 0.00 -2.02 0.00 0.00 63.50 62.21 3kd2 n PRO 260 Cb 0.55 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 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 0.24 0.74 -0.02 3.45 2.01 -0.00 -1.88 115.64 120.18 3kd2 s THR 261 Ca 0.68 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.16 3kd2 s THR 261 Cb -0.55 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 3kd2 s THR 261 CO 0.45 0.09 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.02 3kd2 s MET 262 N -0.53 1.30 -0.01 4.92 1.75 -0.05 -1.52 119.30 125.16 3kd2 s MET 262 Ca 0.02 -0.50 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 3kd2 s MET 262 Cb -0.05 -1.20 -0.03 0.00 2.84 0.00 0.00 34.83 36.39 3kd2 s MET 262 CO 0.00 0.26 -0.13 0.95 -0.65 0.00 0.00 175.02 175.44 3kd2 s THR 263 N -0.14 3.14 0.02 10.11 -4.23 -0.19 -1.28 115.64 123.08 3kd2 s THR 263 Ca 0.02 -0.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.74 3kd2 s THR 263 Cb -0.08 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 3kd2 s THR 263 CO 0.00 0.47 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.57 3kd2 s LEU 264 N -1.11 2.13 -0.01 4.79 1.43 -0.61 -0.86 118.68 124.44 3kd2 s LEU 264 Ca 0.14 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 3kd2 s LEU 264 Cb -0.11 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.06 3kd2 s LEU 264 CO 0.04 0.21 0.31 0.00 0.23 0.00 0.00 176.35 177.14 3kd2 s ALA 265 N -0.71 -0.78 0.22 4.21 0.00 -0.42 -2.13 121.76 122.15 3kd2 s ALA 265 Ca 0.09 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 3kd2 s ALA 265 Cb -0.09 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 3kd2 s ALA 265 CO 0.01 -0.26 0.92 0.20 0.00 0.00 0.00 175.76 176.63 3kd2 s GLY 266 N -1.33 3.08 0.00 0.00 0.00 -1.24 -0.09 107.32 107.75 3kd2 s GLY 266 Ca -0.14 0.58 0.23 0.00 0.00 0.00 0.00 44.72 45.40 3kd2 s GLY 266 CO 0.04 1.17 1.20 0.61 0.00 0.00 0.00 173.10 176.11 3kd2 n GLY 267 N 1.56 -0.42 1.15 0.20 0.00 0.85 -1.64 105.19 106.90 3kd2 n GLY 267 Ca -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 1.42 0.91 3.65 -0.02 0.00 0.86 -4.72 105.19 107.30 3kd2 n GLY 268 Ca 0.09 -2.00 -0.48 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.75 2.09 -0.27 1.61 -0.00 -1.26 -1.76 115.22 113.88 3kd2 n HIS 269 Ca 0.05 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 3kd2 n HIS 269 Cb 0.17 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 27.66 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 3.40 0.92 3.94 1.57 0.00 -1.26 -2.76 105.19 111.00 3kd2 n GLY 270 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.64 1.56 0.27 -0.02 0.00 -0.72 -3.46 107.32 103.31 3kd2 s GLY 271 Ca 0.00 -0.93 0.25 0.00 0.00 0.00 0.00 44.72 44.04 3kd2 s GLY 271 CO 0.00 -0.73 1.62 -0.33 0.00 0.00 0.00 173.10 173.65 3kd2 h MET 272 N 0.26 0.00 0.00 2.90 2.07 -1.86 -3.47 114.93 114.84 3kd2 h MET 272 Ca -0.46 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.17 3kd2 h MET 272 Cb 1.25 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.98 3kd2 h MET 272 CO 0.59 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.98 3kd2 n GLY 273 N 1.24 3.02 0.10 8.32 0.00 -0.65 -2.52 105.19 114.70 3kd2 n GLY 273 Ca 0.04 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.75 -0.27 2.61 -2.24 -1.26 -3.49 114.28 110.37 3kd2 n THR 274 Ca 0.00 0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3kd2 n THR 274 Cb 0.00 -0.97 0.09 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.90 0.02 4.78 3.04 -1.91 -2.54 116.94 121.22 3kd2 h PHE 275 Ca 0.00 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.00 3kd2 h PHE 275 Cb 0.44 -0.29 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 3kd2 h PHE 275 CO 0.00 0.51 -0.31 0.37 -2.02 0.00 0.00 178.31 176.86 3kd2 h GLN 276 N 0.93 -0.45 -0.48 1.11 5.75 -1.73 -0.47 115.11 119.77 3kd2 h GLN 276 Ca 0.31 0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.75 3kd2 h GLN 276 Cb 0.03 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3kd2 h GLN 276 CO -0.12 -0.30 -0.04 1.25 -2.65 0.00 0.00 178.83 176.97 3kd2 h LEU 277 N -0.47 0.86 -0.77 -2.39 5.85 -1.79 -2.37 115.31 114.24 3kd2 h LEU 277 Ca 0.06 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 3kd2 h LEU 277 Cb 0.55 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3kd2 h LEU 277 CO -0.25 0.98 0.27 -0.33 -0.34 0.00 0.00 178.44 178.77 3kd2 h GLU 278 N 0.72 1.18 -0.37 1.25 4.39 -1.04 -0.91 114.58 119.80 3kd2 h GLU 278 Ca 0.13 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 3kd2 h GLU 278 Cb 0.56 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3kd2 h GLU 278 CO 0.03 0.98 -0.14 0.37 -1.16 0.00 0.00 179.01 179.09 3kd2 h GLN 279 N 1.13 0.76 -0.07 2.33 4.15 -1.11 -3.19 115.11 119.11 3kd2 h GLN 279 Ca 0.25 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3kd2 h GLN 279 Cb 0.27 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3kd2 h GLN 279 CO -0.01 0.93 -0.05 1.98 -1.93 0.00 0.00 178.83 179.75 3kd2 h MET 280 N 0.55 0.11 -0.02 1.69 4.05 -0.86 -0.77 114.93 119.68 3kd2 h MET 280 Ca 0.09 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3kd2 h MET 280 Cb 0.68 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 3kd2 h MET 280 CO 0.05 0.16 0.02 0.87 0.23 0.00 0.00 176.91 178.24 3kd2 h LYS 281 N 0.11 0.00 0.00 0.39 1.57 -1.17 0.19 116.57 117.65 3kd2 h LYS 281 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kd2 h LYS 281 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kd2 h LYS 281 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 3kd2 h ALA 282 N 1.98 1.00 0.00 3.86 0.00 -1.25 -3.34 119.26 121.52 3kd2 h ALA 282 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3kd2 h ALA 282 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kd2 h ALA 282 CO -0.00 0.00 -1.77 0.66 0.00 0.00 0.00 179.25 178.14 3kd2 n TYR 283 N -2.77 0.00 -4.53 0.00 4.02 0.44 -4.96 117.16 109.35 3kd2 n TYR 283 Ca 0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.72 3kd2 n TYR 283 Cb 0.43 -0.46 -0.15 0.00 -0.02 0.00 0.00 39.34 39.15 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 -2.79 1.06 0.13 -0.72 0.00 -0.00 0.06 121.76 119.49 3kd2 s ALA 284 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3kd2 s ALA 284 Cb 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 23.12 22.83 3kd2 s ALA 284 CO 0.60 0.25 1.30 0.93 0.00 0.00 0.00 175.76 178.84 3kd2 h GLU 285 N 5.69 0.23 -3.20 0.00 4.39 -1.57 -3.42 114.58 116.70 3kd2 h GLU 285 Ca -0.34 -0.29 -0.63 0.00 0.34 0.00 0.00 59.36 58.44 3kd2 h GLU 285 Cb 1.17 0.09 -0.41 0.00 -0.10 0.00 0.00 28.75 29.51 3kd2 h GLU 285 CO 0.48 1.05 -0.68 0.34 -1.16 0.00 0.00 179.01 179.04 3kd2 s ASP 286 N -6.99 4.00 -0.02 1.42 -1.08 -1.26 -5.08 116.67 107.65 3kd2 s ASP 286 Ca -0.03 -2.81 0.01 0.00 -0.52 0.00 0.00 52.55 49.20 3kd2 s ASP 286 Cb 0.09 -1.34 0.01 0.00 -1.46 0.00 0.00 42.92 40.22 3kd2 s ASP 286 CO 0.85 -0.25 -0.04 0.54 0.52 0.00 0.00 175.17 176.78 3kd2 s VAL 287 N 0.04 0.44 -0.03 1.11 0.11 -1.26 -0.82 120.40 119.99 3kd2 s VAL 287 Ca 0.17 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 3kd2 s VAL 287 Cb -0.25 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3kd2 s VAL 287 CO 0.00 0.16 -0.25 -1.83 -3.33 0.00 0.00 175.10 169.86 3kd2 s GLU 288 N 0.41 2.21 0.12 1.54 -1.05 -0.58 -5.00 118.70 116.34 3kd2 s GLU 288 Ca -0.05 -0.90 0.09 0.00 -0.15 0.00 0.00 54.97 53.97 3kd2 s GLU 288 Cb -0.08 -2.03 -0.04 0.00 -0.44 0.00 0.00 34.13 31.54 3kd2 s GLU 288 CO -0.00 0.48 -0.23 0.20 0.95 0.00 0.00 175.26 176.65 3kd2 s GLY 289 N -0.43 1.39 -0.01 -3.83 0.00 -1.26 -1.02 107.32 102.15 3kd2 s GLY 289 Ca 0.05 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.45 3kd2 s GLY 289 CO 0.01 -1.34 -0.07 0.30 0.00 0.00 0.00 173.10 172.00 3kd2 s HIS 290 N -1.13 0.71 -0.21 1.90 3.76 -0.04 -4.94 115.29 115.34 3kd2 s HIS 290 Ca 0.10 -0.15 -0.03 0.00 -0.15 0.00 0.00 55.06 54.82 3kd2 s HIS 290 Cb -0.10 -0.49 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 3kd2 s HIS 290 CO 0.05 -0.04 -0.05 0.08 -0.85 0.00 0.00 174.74 173.92 3kd2 s VAL 291 N 0.00 3.32 -0.32 -0.90 1.01 -1.26 -1.30 120.40 120.96 3kd2 s VAL 291 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3kd2 s VAL 291 Cb -0.05 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3kd2 s VAL 291 CO -0.00 0.43 0.55 -0.76 0.00 0.00 0.00 175.10 175.32 3kd2 s LEU 292 N 1.39 4.22 0.46 3.92 1.02 0.87 -4.76 118.68 125.80 3kd2 s LEU 292 Ca 0.05 0.21 -0.23 0.00 0.02 0.00 0.00 54.13 54.18 3kd2 s LEU 292 Cb -0.14 -2.67 -0.07 0.00 0.02 0.00 0.00 46.19 43.33 3kd2 s LEU 292 CO -0.03 -0.44 1.16 -2.84 0.02 0.00 0.00 176.35 174.22 3kd2 s PRO 293 N 2.45 3.74 -0.59 1.29 0.02 -1.26 -0.10 135.00 140.54 3kd2 s PRO 293 Ca 0.21 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3kd2 s PRO 293 Cb -0.15 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.98 3kd2 s PRO 293 CO 0.12 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 3kd2 n GLY 294 N 0.43 0.76 3.13 0.52 0.00 -1.26 -4.86 105.19 103.91 3kd2 n GLY 294 Ca 0.07 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 2.83 0.92 0.12 0.00 0.00 -1.25 -0.10 105.19 107.70 3kd2 n GLY 296 Ca -0.15 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 0.40 -1.68 1.61 2.76 -1.12 -3.29 115.15 113.84 3kd2 h HIS 297 Ca 0.00 -0.25 -0.77 0.00 -2.20 0.00 0.00 60.37 57.15 3kd2 h HIS 297 Cb 0.00 -0.03 -0.18 0.00 1.55 0.00 0.00 27.41 28.75 3kd2 h HIS 297 CO 0.00 1.11 1.82 0.91 -1.30 0.00 0.00 177.93 180.47 3kd2 n TRP 298 N -3.61 2.66 -0.16 5.26 7.02 -1.26 -4.85 117.44 122.50 3kd2 n TRP 298 Ca -0.05 -2.73 -0.03 0.00 -1.02 0.00 0.00 57.50 53.67 3kd2 n TRP 298 Cb 0.90 -1.67 0.04 0.00 -2.42 0.00 0.00 31.31 28.16 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 5.99 -0.38 -2.00 -0.99 3.38 -1.95 0.55 115.31 119.90 3kd2 h LEU 299 Ca 0.51 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.72 3kd2 h LEU 299 Cb 0.45 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3kd2 h LEU 299 CO 1.45 -0.14 0.26 -0.65 0.09 0.00 0.00 178.44 179.45 3kd2 h PRO 300 N 0.03 0.00 0.00 1.13 0.11 -1.88 -0.57 132.00 130.83 3kd2 h PRO 300 Ca 0.24 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.95 3kd2 h PRO 300 Cb 0.37 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.41 3kd2 h PRO 300 CO -0.48 0.00 -2.46 0.39 -0.21 0.00 0.00 178.00 175.24 3kd2 n GLU 301 N -4.42 0.62 0.03 1.05 1.02 -0.77 -3.70 120.64 114.46 3kd2 n GLU 301 Ca 0.06 0.18 -0.05 0.00 -0.02 0.00 0.00 57.16 57.32 3kd2 n GLU 301 Cb 0.44 -1.49 0.16 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.44 -1.54 3.49 5.08 -0.86 -3.37 114.58 117.53 3kd2 h GLU 302 Ca -0.60 -0.21 -0.42 0.00 -1.00 0.00 0.00 59.36 57.12 3kd2 h GLU 302 Cb 1.80 -0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.68 3kd2 h GLU 302 CO -0.18 0.76 -1.09 0.00 -1.00 0.00 0.00 179.01 177.50 3kd2 h ALA 304 N 2.97 0.34 0.71 0.00 0.00 -1.63 -1.97 119.26 119.68 3kd2 h ALA 304 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kd2 h ALA 304 Cb 1.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kd2 h ALA 304 CO 0.44 -0.27 -0.42 0.00 0.00 0.00 0.00 179.25 179.00 3kd2 h ALA 305 N 1.17 -1.08 -0.38 0.00 0.00 -1.92 0.65 119.26 117.71 3kd2 h ALA 305 Ca 0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3kd2 h ALA 305 Cb 0.07 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kd2 h ALA 305 CO -0.11 -1.12 -0.28 -1.00 0.00 0.00 0.00 179.25 176.74 3kd2 h PRO 306 N -1.06 0.80 -0.01 0.00 0.13 -1.97 -2.13 132.00 127.76 3kd2 h PRO 306 Ca -0.09 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kd2 h PRO 306 Cb 0.84 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3kd2 h PRO 306 CO 0.11 0.98 0.00 1.98 -0.23 0.00 0.00 178.00 180.84 3kd2 h MET 307 N 0.68 0.02 -0.58 0.86 4.05 -1.33 -1.21 114.93 117.42 3kd2 h MET 307 Ca 0.08 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 3kd2 h MET 307 Cb 0.81 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.55 3kd2 h MET 307 CO 0.07 0.21 0.26 -0.91 0.23 0.00 0.00 176.91 176.76 3kd2 h ASN 308 N -0.18 0.32 -0.09 1.39 -0.26 -0.87 -1.46 115.58 114.44 3kd2 h ASN 308 Ca 0.00 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3kd2 h ASN 308 Cb 0.20 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 3kd2 h ASN 308 CO -0.00 0.20 0.04 -0.09 -1.06 0.00 0.00 177.43 176.52 3kd2 h ARG 309 N 0.48 0.09 -0.77 0.81 9.65 -1.24 -0.61 114.38 122.79 3kd2 h ARG 309 Ca 0.28 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.17 3kd2 h ARG 309 Cb 0.27 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 3kd2 h ARG 309 CO -0.24 0.06 0.50 -0.07 2.80 0.00 0.00 179.97 183.02 3kd2 h LEU 310 N 0.09 0.85 -0.11 3.80 3.38 -0.84 -0.93 115.31 121.55 3kd2 h LEU 310 Ca 0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kd2 h LEU 310 Cb 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3kd2 h LEU 310 CO -0.03 0.61 -0.09 0.58 0.09 0.00 0.00 178.44 179.60 3kd2 h VAL 311 N 1.01 1.34 -0.47 1.22 2.07 -1.10 -2.08 116.25 118.24 3kd2 h VAL 311 Ca 0.29 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3kd2 h VAL 311 Cb -0.07 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3kd2 h VAL 311 CO -0.08 0.34 0.28 0.40 0.02 0.00 0.00 177.57 178.54 3kd2 h ILE 312 N -0.12 1.14 -0.50 4.57 2.04 -1.00 -1.16 117.51 122.48 3kd2 h ILE 312 Ca 0.02 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3kd2 h ILE 312 Cb 0.58 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3kd2 h ILE 312 CO 0.02 0.15 0.20 0.44 0.00 0.00 0.00 178.15 178.96 3kd2 h ASP 313 N 0.62 0.70 -0.42 1.72 3.32 -1.21 -0.97 116.42 120.19 3kd2 h ASP 313 Ca 0.17 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3kd2 h ASP 313 Cb -0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3kd2 h ASP 313 CO -0.03 0.68 0.01 0.15 -1.72 0.00 0.00 179.24 178.33 3kd2 h PHE 314 N 0.67 0.81 0.00 4.55 3.57 -1.16 -2.81 116.94 122.57 3kd2 h PHE 314 Ca 0.17 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3kd2 h PHE 314 Cb 0.20 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3kd2 h PHE 314 CO 0.01 0.80 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.48 3kd2 h LEU 315 N 0.58 0.00 -0.29 0.59 3.38 -1.16 -3.09 115.31 115.32 3kd2 h LEU 315 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kd2 h LEU 315 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kd2 h LEU 315 CO 0.02 0.34 -0.04 -1.20 0.09 0.00 0.00 178.44 177.65 3kd2 n SER 316 N -3.48 0.48 0.00 -0.43 7.64 -0.37 -5.10 113.62 112.36 3kd2 n SER 316 Ca -0.00 -0.91 0.06 0.00 1.01 0.00 0.00 58.87 59.03 3kd2 n SER 316 Cb 0.50 -0.04 0.36 0.00 -1.01 0.00 0.00 64.21 64.01 3kd2 n SER 316 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57