#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddm s SER 9 N 0.00 4.90 -0.17 0.00 1.04 -1.26 -4.81 113.70 113.39 3ddm s SER 9 Ca 0.00 1.63 -0.05 0.00 0.48 0.00 0.00 55.95 58.00 3ddm s SER 9 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 3ddm s SER 9 CO 0.00 -1.75 0.01 -0.63 0.98 0.00 0.00 173.24 171.85 3ddm s ILE 10 N -3.01 4.27 -0.57 -1.02 1.01 0.21 -4.93 121.20 117.17 3ddm s ILE 10 Ca 0.60 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.06 3ddm s ILE 10 Cb -0.15 -2.90 0.14 0.00 0.01 0.00 0.00 42.46 39.56 3ddm s ILE 10 CO 0.55 0.47 0.32 -0.89 0.00 0.00 0.00 174.94 175.40 3ddm s THR 11 N 0.42 2.74 0.25 2.92 2.01 -1.26 -1.33 115.64 121.40 3ddm s THR 11 Ca -0.01 -3.50 -0.31 0.00 0.31 0.00 0.00 61.69 58.18 3ddm s THR 11 Cb -0.13 -2.87 -0.12 0.00 0.01 0.00 0.00 72.50 69.38 3ddm s THR 11 CO 0.02 -0.85 1.60 -2.65 -0.69 0.00 0.00 174.62 172.05 3ddm n PRO 12 N 2.90 2.58 -0.01 4.92 -0.02 -1.26 -1.27 135.00 142.83 3ddm n PRO 12 Ca 0.08 0.92 -0.01 0.00 -2.02 0.00 0.00 63.50 62.47 3ddm n PRO 12 Cb 0.33 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.10 3ddm n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddm n ALA 13 N 2.69 1.95 -3.71 3.55 0.00 0.70 -4.29 120.51 121.40 3ddm n ALA 13 Ca 0.12 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3ddm n ALA 13 Cb 0.35 0.34 -0.17 0.00 0.00 0.00 0.00 19.45 19.96 3ddm n ALA 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ddm s ARG 14 N -2.05 -0.05 -0.09 0.00 3.52 -0.96 -4.98 118.95 114.35 3ddm s ARG 14 Ca -0.02 0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 3ddm s ARG 14 Cb 0.01 -0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.00 3ddm s ARG 14 CO 0.07 -0.26 -0.15 0.08 -0.81 0.00 0.00 175.30 174.23 3ddm s VAL 15 N 1.70 1.42 0.04 7.11 1.01 -1.26 0.20 120.40 130.62 3ddm s VAL 15 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3ddm s VAL 15 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3ddm s VAL 15 CO -0.03 0.42 -0.04 -0.13 0.00 0.00 0.00 175.10 175.32 3ddm s ARG 16 N 0.74 0.52 -0.03 2.72 0.52 -0.55 -4.89 118.95 117.98 3ddm s ARG 16 Ca -0.12 -0.95 0.06 0.00 -0.52 0.00 0.00 55.73 54.19 3ddm s ARG 16 Cb -0.16 0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.36 3ddm s ARG 16 CO 0.03 -0.06 -0.20 0.00 0.02 0.00 0.00 175.30 175.09 3ddm s ALA 17 N -2.66 1.72 -0.09 2.13 0.00 -1.26 -0.77 121.76 120.83 3ddm s ALA 17 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3ddm s ALA 17 Cb -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3ddm s ALA 17 CO -0.05 0.39 -0.16 -1.01 0.00 0.00 0.00 175.76 174.93 3ddm s HIS 18 N -0.34 1.92 -0.15 0.00 0.09 0.17 -4.97 115.29 112.01 3ddm s HIS 18 Ca 0.04 -0.81 -0.07 0.00 -0.00 0.00 0.00 55.06 54.21 3ddm s HIS 18 Cb -0.09 -1.36 -0.04 0.00 -0.00 0.00 0.00 32.58 31.08 3ddm s HIS 18 CO 0.00 -0.39 0.11 0.08 -0.00 0.00 0.00 174.74 174.54 3ddm s VAL 19 N 0.72 5.21 0.05 -0.90 1.01 -1.26 -0.66 120.40 124.57 3ddm s VAL 19 Ca -0.12 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3ddm s VAL 19 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3ddm s VAL 19 CO 0.03 0.53 -0.13 -0.36 0.00 0.00 0.00 175.10 175.17 3ddm s PHE 20 N -0.32 1.13 -0.21 5.22 0.40 0.02 -4.98 117.98 119.25 3ddm s PHE 20 Ca 0.10 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 3ddm s PHE 20 Cb -0.12 -0.66 0.09 0.00 0.51 0.00 0.00 43.02 42.84 3ddm s PHE 20 CO 0.01 0.03 0.17 1.03 0.70 0.00 0.00 175.22 177.16 3ddm s ARG 21 N -1.29 0.15 -0.37 0.44 0.52 -1.26 -0.64 118.95 116.50 3ddm s ARG 21 Ca -0.00 0.01 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 3ddm s ARG 21 Cb -0.08 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 34.00 3ddm s ARG 21 CO 0.01 -0.72 0.36 -0.47 0.02 0.00 0.00 175.30 174.50 3ddm s TYR 22 N 2.24 3.21 0.17 -0.53 5.04 -0.59 -4.82 117.35 122.06 3ddm s TYR 22 Ca 0.06 -0.22 -0.30 0.00 -2.44 0.00 0.00 57.07 54.17 3ddm s TYR 22 Cb -0.16 -2.69 -0.08 0.00 0.35 0.00 0.00 41.96 39.39 3ddm s TYR 22 CO -0.15 -0.51 1.16 -1.25 -1.34 0.00 0.00 175.55 173.46 3ddm s PRO 23 N 1.96 4.52 -0.16 4.97 0.04 -1.26 0.24 135.00 145.31 3ddm s PRO 23 Ca 0.10 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 3ddm s PRO 23 Cb -0.17 -3.27 -0.24 0.00 0.04 0.00 0.00 34.50 30.86 3ddm s PRO 23 CO 0.12 -0.04 0.59 -0.24 0.04 0.00 0.00 177.00 177.47 3ddm h VAL 24 N 3.82 1.50 -1.94 -0.36 3.04 -1.98 -3.48 116.25 116.86 3ddm h VAL 24 Ca -0.44 -2.30 0.00 0.00 -1.01 0.00 0.00 66.70 62.95 3ddm h VAL 24 Cb 1.21 3.01 0.00 0.00 -2.01 0.00 0.00 31.29 33.50 3ddm h VAL 24 CO 0.74 0.52 0.00 1.41 -1.01 0.00 0.00 177.57 179.23 3ddm n HIS 36 N -4.53 0.00 -4.05 3.17 8.25 -1.26 -5.17 115.22 111.63 3ddm n HIS 36 Ca -0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.16 3ddm n HIS 36 Cb 0.56 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 3ddm n HIS 36 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3ddm s ASP 37 N -3.52 0.48 -0.37 0.41 1.47 -1.26 -5.06 116.67 108.82 3ddm s ASP 37 Ca 0.00 -1.28 -0.11 0.00 1.18 0.00 0.00 52.55 52.34 3ddm s ASP 37 Cb 0.00 0.63 0.03 0.00 -0.34 0.00 0.00 42.92 43.24 3ddm s ASP 37 CO 0.00 -1.24 0.20 -0.13 0.68 0.00 0.00 175.17 174.69 3ddm s ARG 38 N -3.40 2.85 0.50 2.11 1.81 0.14 -4.91 118.95 118.05 3ddm s ARG 38 Ca 0.28 -1.06 -0.05 0.00 -1.72 0.00 0.00 55.73 53.18 3ddm s ARG 38 Cb -0.00 -3.72 -0.02 0.00 -0.45 0.00 0.00 34.95 30.75 3ddm s ARG 38 CO 0.16 -0.69 0.79 -1.25 -0.68 0.00 0.00 175.30 173.63 3ddm s PRO 39 N 1.56 3.34 -0.13 3.54 0.04 -1.26 -1.55 135.00 140.54 3ddm s PRO 39 Ca 0.02 0.06 -0.21 0.00 0.04 0.00 0.00 61.00 60.91 3ddm s PRO 39 Cb -0.19 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 32.02 3ddm s PRO 39 CO 0.07 -0.32 0.53 0.00 0.04 0.00 0.00 177.00 177.32 3ddm s ALA 40 N -2.77 -1.35 -0.25 8.56 0.00 0.18 -4.74 121.76 121.40 3ddm s ALA 40 Ca 0.49 1.24 -0.00 0.00 0.00 0.00 0.00 51.96 53.69 3ddm s ALA 40 Cb -0.10 -0.47 0.07 0.00 0.00 0.00 0.00 23.12 22.62 3ddm s ALA 40 CO 0.44 -0.29 0.00 0.08 0.00 0.00 0.00 175.76 175.99 3ddm s VAL 41 N -0.42 1.25 -0.13 0.00 1.01 -1.26 -0.80 120.40 120.05 3ddm s VAL 41 Ca -0.06 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 3ddm s VAL 41 Cb -0.03 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3ddm s VAL 41 CO 0.04 -0.26 0.07 -0.76 0.00 0.00 0.00 175.10 174.19 3ddm s LEU 42 N 1.50 3.97 0.06 3.92 1.43 0.16 -0.46 118.68 129.26 3ddm s LEU 42 Ca -0.01 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 3ddm s LEU 42 Cb -0.18 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3ddm s LEU 42 CO -0.10 0.33 -0.23 0.68 0.23 0.00 0.00 176.35 177.26 3ddm s VAL 43 N -0.60 1.90 -0.04 -1.59 -7.23 0.77 0.45 120.40 114.07 3ddm s VAL 43 Ca 0.11 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 3ddm s VAL 43 Cb -0.12 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 3ddm s VAL 43 CO 0.02 0.23 -0.16 -1.83 -0.31 0.00 0.00 175.10 173.06 3ddm s GLU 44 N -1.34 1.70 -0.13 4.82 -1.05 0.05 -0.99 118.70 121.76 3ddm s GLU 44 Ca 0.10 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 3ddm s GLU 44 Cb -0.09 -1.47 -0.01 0.00 -0.44 0.00 0.00 34.13 32.11 3ddm s GLU 44 CO 0.02 0.20 -0.14 0.08 0.95 0.00 0.00 175.26 176.37 3ddm s VAL 45 N 0.14 2.94 -0.18 1.83 1.01 -0.26 -1.48 120.40 124.40 3ddm s VAL 45 Ca -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 3ddm s VAL 45 Cb -0.12 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3ddm s VAL 45 CO 0.02 0.53 -0.13 -0.70 0.00 0.00 0.00 175.10 174.82 3ddm s GLU 46 N 0.34 3.22 0.79 2.72 2.12 0.13 -1.49 118.70 126.52 3ddm s GLU 46 Ca -0.12 -0.73 -0.11 0.00 0.36 0.00 0.00 54.97 54.37 3ddm s GLU 46 Cb -0.16 -2.72 0.06 0.00 0.26 0.00 0.00 34.13 31.57 3ddm s GLU 46 CO 0.06 -0.08 1.08 0.34 -0.54 0.00 0.00 175.26 176.13 3ddm s ASP 47 N 1.07 4.49 0.38 -1.70 2.15 0.16 -0.21 116.67 123.01 3ddm s ASP 47 Ca -0.00 1.57 0.09 0.00 0.43 0.00 0.00 52.55 54.64 3ddm s ASP 47 Cb -0.15 -2.32 0.75 0.00 -0.30 0.00 0.00 42.92 40.90 3ddm s ASP 47 CO -0.04 -2.01 1.90 0.77 -0.17 0.00 0.00 175.17 175.63 3ddm h SER 48 N -1.11 0.24 -0.11 -0.34 4.64 -1.49 -2.20 113.55 113.19 3ddm h SER 48 Ca -0.46 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3ddm h SER 48 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3ddm h SER 48 CO 0.55 0.41 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 3ddm n ASP 49 N -4.26 0.78 0.00 4.97 5.68 -1.26 -4.93 116.55 117.53 3ddm n ASP 49 Ca -0.01 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 3ddm n ASP 49 Cb 0.28 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3ddm n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ddm n GLY 50 N 0.86 3.11 3.70 6.12 0.00 -0.83 -5.07 105.19 113.08 3ddm n GLY 50 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3ddm n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm n ALA 51 N -0.91 0.82 -2.81 4.61 0.00 -1.26 -4.66 120.51 116.30 3ddm n ALA 51 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 3ddm n ALA 51 Cb 0.00 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.05 3ddm n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ddm s VAL 52 N -1.50 0.52 0.10 0.00 1.01 -1.26 -0.66 120.40 118.61 3ddm s VAL 52 Ca 0.81 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3ddm s VAL 52 Cb -0.37 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3ddm s VAL 52 CO 0.43 -0.17 -0.12 -0.83 0.00 0.00 0.00 175.10 174.40 3ddm s GLY 53 N -0.99 0.91 0.15 4.51 0.00 -0.56 -4.39 107.32 106.96 3ddm s GLY 53 Ca -0.05 -1.15 0.08 0.00 0.00 0.00 0.00 44.72 43.61 3ddm s GLY 53 CO 0.00 -1.20 -0.18 -0.98 0.00 0.00 0.00 173.10 170.74 3ddm s TRP 54 N -1.95 1.79 0.27 1.90 0.52 -1.25 -1.11 118.94 119.12 3ddm s TRP 54 Ca 0.04 -0.47 -0.18 0.00 0.02 0.00 0.00 56.10 55.50 3ddm s TRP 54 Cb -0.06 -0.91 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 3ddm s TRP 54 CO 0.02 0.30 0.65 0.20 0.02 0.00 0.00 176.95 178.14 3ddm s GLY 55 N -2.55 0.10 0.06 0.98 0.00 -0.16 -3.13 107.32 102.63 3ddm s GLY 55 Ca 0.14 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.45 3ddm s GLY 55 CO 0.06 -0.25 -0.19 1.85 0.00 0.00 0.00 173.10 174.57 3ddm s GLU 56 N -3.92 1.21 -0.24 2.90 2.12 -1.26 -0.16 118.70 119.35 3ddm s GLU 56 Ca 0.14 -0.97 -0.04 0.00 0.36 0.00 0.00 54.97 54.47 3ddm s GLU 56 Cb -0.04 -1.34 0.01 0.00 0.26 0.00 0.00 34.13 33.01 3ddm s GLU 56 CO 0.08 0.33 -0.03 0.08 -0.54 0.00 0.00 175.26 175.18 3ddm s VAL 57 N -0.93 3.31 0.20 3.70 1.01 0.39 -3.73 120.40 124.35 3ddm s VAL 57 Ca 0.06 -0.72 -0.32 0.00 0.00 0.00 0.00 61.98 61.00 3ddm s VAL 57 Cb -0.09 -2.61 -0.15 0.00 0.00 0.00 0.00 36.38 33.53 3ddm s VAL 57 CO 0.02 0.28 1.15 1.87 0.00 0.00 0.00 175.10 178.42 3ddm n TRP 58 N 4.77 1.36 -2.27 5.22 -0.00 -0.71 -4.16 117.44 121.65 3ddm n TRP 58 Ca -0.17 0.66 -0.04 0.00 -0.00 0.00 0.00 57.50 57.95 3ddm n TRP 58 Cb 0.49 -2.29 0.02 0.00 -0.00 0.00 0.00 31.31 29.53 3ddm n TRP 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ddm h ASN 60 N 0.40 0.00 -4.46 0.00 2.35 -1.89 -3.41 115.58 108.56 3ddm h ASN 60 Ca -0.44 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.13 3ddm h ASN 60 Cb 1.27 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.40 3ddm h ASN 60 CO -0.21 0.27 -0.65 -0.36 -1.65 0.00 0.00 177.43 174.84 3ddm s PHE 61 N -4.06 0.09 0.49 1.19 0.40 -1.26 -4.30 117.98 110.52 3ddm s PHE 61 Ca -0.02 -0.18 -0.08 0.00 -0.60 0.00 0.00 56.93 56.05 3ddm s PHE 61 Cb 0.13 -0.08 0.12 0.00 0.51 0.00 0.00 43.02 43.70 3ddm s PHE 61 CO 0.66 -0.14 0.51 -0.35 0.70 0.00 0.00 175.22 176.61 3ddm n PRO 62 N 2.18 -1.40 0.23 0.24 -0.04 -1.26 -4.78 135.00 130.16 3ddm n PRO 62 Ca -0.19 -0.80 0.07 0.00 -0.04 0.00 0.00 63.50 62.54 3ddm n PRO 62 Cb 0.57 -0.66 0.54 0.00 -0.04 0.00 0.00 33.50 33.91 3ddm n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ddm h ALA 63 N -2.16 1.49 -0.09 0.55 0.00 -1.90 -2.99 119.26 114.15 3ddm h ALA 63 Ca -0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ddm h ALA 63 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ddm h ALA 63 CO 0.12 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3ddm n GLY 65 N 1.34 -1.11 0.08 0.00 0.00 -1.13 -3.91 105.19 100.45 3ddm n GLY 65 Ca 0.16 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3ddm n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm h ALA 66 N 2.56 -0.08 -0.70 4.61 0.00 -1.80 -1.83 119.26 122.02 3ddm h ALA 66 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ddm h ALA 66 Cb 0.31 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3ddm h ALA 66 CO 0.00 -0.55 0.45 0.93 0.00 0.00 0.00 179.25 180.08 3ddm h GLU 67 N -0.09 0.88 -0.25 0.00 3.07 -1.95 -1.90 114.58 114.34 3ddm h GLU 67 Ca 0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3ddm h GLU 67 Cb 0.08 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3ddm h GLU 67 CO -0.01 0.58 0.15 1.25 -1.40 0.00 0.00 179.01 179.58 3ddm h HIS 68 N 0.90 0.33 -0.89 4.33 2.76 -1.72 -0.56 115.15 120.30 3ddm h HIS 68 Ca 0.27 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 3ddm h HIS 68 Cb -0.05 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.76 3ddm h HIS 68 CO -0.03 0.25 0.59 0.00 -1.30 0.00 0.00 177.93 177.44 3ddm h ARG 69 N 0.31 1.17 -0.21 5.26 3.08 -1.09 0.52 114.38 123.41 3ddm h ARG 69 Ca 0.09 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3ddm h ARG 69 Cb 0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3ddm h ARG 69 CO -0.02 0.77 -0.22 0.00 -1.07 0.00 0.00 179.97 179.44 3ddm h ALA 70 N 1.33 1.23 -0.43 0.04 0.00 -1.04 -1.98 119.26 118.42 3ddm h ALA 70 Ca 0.33 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3ddm h ALA 70 Cb -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ddm h ALA 70 CO -0.08 0.50 -0.31 0.00 0.00 0.00 0.00 179.25 179.37 3ddm h ARG 71 N 0.35 0.97 -0.61 0.00 2.47 -0.12 -2.46 114.38 114.98 3ddm h ARG 71 Ca 0.06 -0.47 0.01 0.00 -1.26 0.00 0.00 59.98 58.33 3ddm h ARG 71 Cb 0.58 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 3ddm h ARG 71 CO 0.04 1.13 0.39 -0.07 0.56 0.00 0.00 179.97 182.02 3ddm h LEU 72 N 0.81 0.66 -0.87 3.04 3.38 -0.54 0.96 115.31 122.75 3ddm h LEU 72 Ca 0.08 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ddm h LEU 72 Cb 0.90 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 3ddm h LEU 72 CO 0.08 0.47 0.57 0.58 0.09 0.00 0.00 178.44 180.24 3ddm h VAL 73 N 0.79 1.20 0.12 1.22 2.07 -1.23 -1.13 116.25 119.28 3ddm h VAL 73 Ca 0.23 -0.40 -0.31 0.00 0.82 0.00 0.00 66.70 67.04 3ddm h VAL 73 Cb -0.05 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 3ddm h VAL 73 CO -0.07 0.21 -1.60 -0.33 0.02 0.00 0.00 177.57 175.80 3ddm h GLU 74 N 1.16 0.25 0.00 1.57 5.08 -0.95 -0.60 114.58 121.09 3ddm h GLU 74 Ca 0.33 -0.42 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3ddm h GLU 74 Cb -0.10 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3ddm h GLU 74 CO -0.08 1.10 -1.65 0.25 -1.00 0.00 0.00 179.01 177.63 3ddm n THR 75 N -3.44 0.75 -0.06 1.13 -2.24 0.29 -4.37 114.28 106.34 3ddm n THR 75 Ca -0.18 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 60.87 3ddm n THR 75 Cb 1.05 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 3ddm n THR 75 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ddm n VAL 76 N -2.64 1.31 -0.03 2.28 0.31 -0.48 -4.68 118.33 114.40 3ddm n VAL 76 Ca -0.09 0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 3ddm n VAL 76 Cb 0.75 -2.00 -0.11 0.00 -0.91 0.00 0.00 33.84 31.57 3ddm n VAL 76 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ddm h LEU 77 N -0.66 0.06 -0.66 7.52 3.38 -1.50 -3.33 115.31 120.13 3ddm h LEU 77 Ca -0.12 -0.64 0.14 0.00 0.09 0.00 0.00 57.88 57.34 3ddm h LEU 77 Cb 0.86 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 3ddm h LEU 77 CO -0.08 0.70 -0.02 0.00 0.09 0.00 0.00 178.44 179.13 3ddm h ALA 78 N 0.37 0.63 -0.73 1.53 0.00 -1.30 0.10 119.26 119.85 3ddm h ALA 78 Ca -0.00 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3ddm h ALA 78 Cb 0.69 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3ddm h ALA 78 CO 0.01 -0.41 0.48 -1.35 0.00 0.00 0.00 179.25 177.99 3ddm h PRO 79 N 0.10 0.60 -0.16 0.00 0.11 -1.77 -0.64 132.00 130.24 3ddm h PRO 79 Ca 0.34 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.22 3ddm h PRO 79 Cb 0.57 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3ddm h PRO 79 CO -0.58 0.40 -0.71 -0.07 -0.21 0.00 0.00 178.00 176.83 3ddm h LEU 80 N 0.62 0.79 -0.63 2.35 3.38 -0.95 -3.20 115.31 117.67 3ddm h LEU 80 Ca 0.34 -0.49 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 3ddm h LEU 80 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ddm h LEU 80 CO -0.12 1.27 -0.42 -0.07 0.09 0.00 0.00 178.44 179.18 3ddm h LEU 81 N 0.48 0.63 -1.80 1.67 4.07 0.01 -3.20 115.31 117.17 3ddm h LEU 81 Ca -0.03 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3ddm h LEU 81 Cb 1.31 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3ddm h LEU 81 CO 0.14 0.97 0.00 0.35 -1.08 0.00 0.00 178.44 178.82 3ddm n THR 82 N -4.02 0.70 0.73 0.22 -2.24 -0.37 -4.07 114.28 105.22 3ddm n THR 82 Ca -0.02 -0.65 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 3ddm n THR 82 Cb 0.53 0.28 0.07 0.00 -2.10 0.00 0.00 70.33 69.11 3ddm n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddm n ALA 83 N 0.87 3.59 -3.00 6.98 0.00 -1.21 -4.94 120.51 122.80 3ddm n ALA 83 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3ddm n ALA 83 Cb 0.43 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3ddm n ALA 83 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3ddm n ARG 84 N -1.80 0.00 -4.46 0.00 1.85 -1.26 -5.14 116.66 105.86 3ddm n ARG 84 Ca 0.03 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.66 3ddm n ARG 84 Cb 0.40 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.70 3ddm n ARG 84 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ddm s ALA 85 N -1.20 2.44 -0.02 2.89 0.00 -1.26 -4.37 121.76 120.24 3ddm s ALA 85 Ca 0.00 -2.02 -0.01 0.00 0.00 0.00 0.00 51.96 49.93 3ddm s ALA 85 Cb 0.00 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3ddm s ALA 85 CO 0.00 -0.19 0.04 -0.06 0.00 0.00 0.00 175.76 175.55 3ddm s PHE 86 N -3.11 -0.02 0.52 0.00 0.40 -0.44 -4.97 117.98 110.35 3ddm s PHE 86 Ca 0.33 0.13 0.22 0.00 -0.60 0.00 0.00 56.93 57.01 3ddm s PHE 86 Cb 0.07 -0.09 1.33 0.00 0.51 0.00 0.00 43.02 44.84 3ddm s PHE 86 CO 0.14 -0.06 2.04 0.00 0.70 0.00 0.00 175.22 178.04 3ddm h ALA 87 N 6.66 2.33 -1.36 5.36 0.00 -1.93 0.63 119.26 130.95 3ddm h ALA 87 Ca -0.34 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 54.91 3ddm h ALA 87 Cb 1.17 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 3ddm h ALA 87 CO 0.48 -0.44 0.89 0.16 0.00 0.00 0.00 179.25 180.34 3ddm s ASP 88 N -6.45 -0.04 0.23 0.00 1.47 -1.26 -4.40 116.67 106.22 3ddm s ASP 88 Ca -0.05 -0.10 -0.07 0.00 1.18 0.00 0.00 52.55 53.51 3ddm s ASP 88 Cb 0.19 0.11 0.41 0.00 -0.34 0.00 0.00 42.92 43.29 3ddm s ASP 88 CO 0.72 -0.21 1.67 -0.65 0.68 0.00 0.00 175.17 177.38 3ddm h PRO 89 N 2.00 0.19 -0.94 2.11 0.11 -1.88 -1.97 132.00 131.63 3ddm h PRO 89 Ca -0.31 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.89 3ddm h PRO 89 Cb 1.20 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3ddm h PRO 89 CO 0.29 0.13 0.57 0.00 -0.21 0.00 0.00 178.00 178.78 3ddm h ALA 90 N 1.61 1.37 -0.41 -0.75 0.00 -1.96 -0.44 119.26 118.67 3ddm h ALA 90 Ca 0.39 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3ddm h ALA 90 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ddm h ALA 90 CO -0.54 0.21 -0.14 0.37 0.00 0.00 0.00 179.25 179.15 3ddm h GLN 91 N 0.94 0.76 -0.18 0.00 4.15 -1.77 -2.07 115.11 116.95 3ddm h GLN 91 Ca 0.45 -0.26 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 3ddm h GLN 91 Cb 0.40 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3ddm h GLN 91 CO -0.25 0.86 -0.34 0.00 -1.93 0.00 0.00 178.83 177.17 3ddm h ALA 92 N 1.16 1.09 0.09 3.38 0.00 -0.98 -1.73 119.26 122.28 3ddm h ALA 92 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ddm h ALA 92 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ddm h ALA 92 CO 0.04 0.57 -0.04 0.35 0.00 0.00 0.00 179.25 180.17 3ddm h PHE 93 N 0.31 -0.12 -0.91 0.00 3.57 -0.78 -0.33 116.94 118.69 3ddm h PHE 93 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3ddm h PHE 93 Cb 0.76 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 3ddm h PHE 93 CO 0.02 0.12 0.58 0.00 -2.23 0.00 0.00 178.31 176.80 3ddm h ALA 94 N 0.54 1.31 -0.37 2.41 0.00 -1.32 0.40 119.26 122.23 3ddm h ALA 94 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3ddm h ALA 94 Cb 0.29 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ddm h ALA 94 CO 0.02 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.10 3ddm h HIS 95 N 1.24 0.75 -0.23 0.00 -0.00 -1.12 -0.79 115.15 115.01 3ddm h HIS 95 Ca 0.33 -0.15 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 3ddm h HIS 95 Cb -0.11 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 3ddm h HIS 95 CO 0.00 0.80 -0.36 -0.07 -0.00 0.00 0.00 177.93 178.31 3ddm h LEU 96 N 0.49 0.51 -0.28 0.26 3.38 -0.65 -1.05 115.31 117.96 3ddm h LEU 96 Ca 0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3ddm h LEU 96 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ddm h LEU 96 CO 0.03 0.83 -0.01 -0.33 0.09 0.00 0.00 178.44 179.05 3ddm h GLU 97 N 0.42 0.51 -0.55 1.13 5.08 -0.70 -2.87 114.58 117.60 3ddm h GLU 97 Ca 0.04 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3ddm h GLU 97 Cb 0.82 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3ddm h GLU 97 CO 0.07 0.67 -0.03 0.00 -1.00 0.00 0.00 179.01 178.71 3ddm h ALA 98 N 0.82 0.90 0.00 3.43 0.00 -1.06 -2.32 119.26 121.04 3ddm h ALA 98 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ddm h ALA 98 Cb 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ddm h ALA 98 CO 0.02 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.45 3ddm n ARG 99 N -4.17 0.64 0.00 0.00 5.12 -0.41 -3.23 116.66 114.61 3ddm n ARG 99 Ca 0.02 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 3ddm n ARG 99 Cb 0.35 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3ddm n ARG 99 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3ddm n THR 100 N -1.13 0.30 0.17 0.55 -2.24 -1.09 -4.79 114.28 106.04 3ddm n THR 100 Ca 0.17 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 3ddm n THR 100 Cb 0.15 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 3ddm n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddm h ALA 101 N 0.00 -1.04 -0.28 6.98 0.00 -1.39 0.12 119.26 123.64 3ddm h ALA 101 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ddm h ALA 101 Cb 0.47 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3ddm h ALA 101 CO 0.00 -1.13 0.15 0.28 0.00 0.00 0.00 179.25 178.55 3ddm h VAL 102 N -0.82 1.02 -1.00 0.00 2.07 -1.88 -1.80 116.25 113.84 3ddm h VAL 102 Ca -0.03 -0.11 0.19 0.00 0.82 0.00 0.00 66.70 67.57 3ddm h VAL 102 Cb 0.77 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 3ddm h VAL 102 CO -0.20 0.06 0.61 0.25 0.02 0.00 0.00 177.57 178.31 3ddm h LEU 103 N 0.32 0.78 -1.48 2.57 5.85 -1.79 0.34 115.31 121.90 3ddm h LEU 103 Ca 0.11 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3ddm h LEU 103 Cb 0.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3ddm h LEU 103 CO -0.06 0.28 0.28 0.00 -0.34 0.00 0.00 178.44 178.60 3ddm h ALA 104 N 1.64 1.61 0.08 1.25 0.00 0.10 -1.25 119.26 122.70 3ddm h ALA 104 Ca 0.57 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 55.15 3ddm h ALA 104 Cb 0.89 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ddm h ALA 104 CO -0.37 0.34 -1.14 0.82 0.00 0.00 0.00 179.25 178.90 3ddm h ILE 105 N 0.64 1.37 -0.41 0.00 2.04 -0.09 -0.66 117.51 120.40 3ddm h ILE 105 Ca 0.17 -2.59 -0.07 0.00 1.00 0.00 0.00 64.86 63.36 3ddm h ILE 105 Cb -0.02 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 3ddm h ILE 105 CO -0.03 0.78 -0.04 1.56 0.00 0.00 0.00 178.15 180.42 3ddm h GLN 106 N 0.22 0.75 0.00 2.37 1.08 -0.62 -3.29 115.11 115.61 3ddm h GLN 106 Ca -0.14 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3ddm h GLN 106 Cb 1.82 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.19 3ddm h GLN 106 CO 0.21 0.85 -1.28 0.25 -0.95 0.00 0.00 178.83 177.90 3ddm n THR 107 N -4.39 0.21 -2.17 -0.54 -2.24 -0.51 -4.98 114.28 99.66 3ddm n THR 107 Ca -0.01 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3ddm n THR 107 Cb 0.32 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3ddm n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddm n GLY 108 N 1.30 -0.03 2.57 3.38 0.00 -0.27 -4.94 105.19 107.19 3ddm n GLY 108 Ca -0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3ddm n GLY 108 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ddm n GLU 109 N -2.12 3.13 -0.27 1.61 1.02 -1.11 -4.80 120.64 118.10 3ddm n GLU 109 Ca -0.13 -3.98 0.05 0.00 -0.02 0.00 0.00 57.16 53.08 3ddm n GLU 109 Cb 0.59 -2.27 0.19 0.00 -0.02 0.00 0.00 31.44 29.94 3ddm n GLU 109 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ddm h PRO 110 N 2.62 0.54 0.49 3.49 0.13 -1.93 -2.53 132.00 134.82 3ddm h PRO 110 Ca 0.44 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.51 3ddm h PRO 110 Cb 0.65 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3ddm h PRO 110 CO 1.13 0.36 -0.25 0.78 -0.23 0.00 0.00 178.00 179.79 3ddm h GLY 111 N 0.55 -0.73 -0.21 1.56 0.00 -1.97 -0.13 103.07 102.15 3ddm h GLY 111 Ca 0.42 0.28 0.24 0.00 0.00 0.00 0.00 47.33 48.27 3ddm h GLY 111 CO -0.36 -0.26 0.47 -2.55 0.00 0.00 0.00 176.54 173.84 3ddm h PRO 112 N -0.67 0.44 -0.16 4.80 0.11 -1.94 0.32 132.00 134.90 3ddm h PRO 112 Ca -0.07 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 3ddm h PRO 112 Cb 0.52 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3ddm h PRO 112 CO 0.11 0.29 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.98 3ddm h LEU 113 N 0.45 0.39 -0.28 2.35 3.38 -1.42 -1.05 115.31 119.13 3ddm h LEU 113 Ca 0.60 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ddm h LEU 113 Cb 1.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3ddm h LEU 113 CO -0.52 0.78 0.15 0.00 0.09 0.00 0.00 178.44 178.93 3ddm h ALA 114 N 0.63 0.34 -0.85 1.53 0.00 0.57 0.85 119.26 122.33 3ddm h ALA 114 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ddm h ALA 114 Cb 0.66 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3ddm h ALA 114 CO 0.04 -0.24 0.47 1.96 0.00 0.00 0.00 179.25 181.48 3ddm h GLN 115 N 0.31 1.19 -0.33 0.00 4.20 -0.31 0.43 115.11 120.60 3ddm h GLN 115 Ca 0.11 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.51 3ddm h GLN 115 Cb 0.02 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 3ddm h GLN 115 CO -0.07 0.87 -0.48 0.00 -0.67 0.00 0.00 178.83 178.49 3ddm h ALA 116 N 1.32 0.52 -0.50 3.87 0.00 -0.80 -2.20 119.26 121.47 3ddm h ALA 116 Ca 0.30 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3ddm h ALA 116 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ddm h ALA 116 CO -0.05 0.68 -0.19 0.82 0.00 0.00 0.00 179.25 180.52 3ddm h ILE 117 N 0.71 1.27 -0.08 0.00 2.04 -0.34 -2.07 117.51 119.04 3ddm h ILE 117 Ca 0.03 -1.35 0.01 0.00 1.00 0.00 0.00 64.86 64.55 3ddm h ILE 117 Cb 1.08 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3ddm h ILE 117 CO 0.11 0.47 0.02 0.00 0.00 0.00 0.00 178.15 178.75 3ddm h ALA 118 N 0.90 0.08 -0.65 1.87 0.00 -0.10 -0.66 119.26 120.70 3ddm h ALA 118 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3ddm h ALA 118 Cb 0.76 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3ddm h ALA 118 CO 0.06 -0.44 0.36 0.78 0.00 0.00 0.00 179.25 180.01 3ddm h GLY 119 N 0.06 0.96 1.94 0.00 0.00 -1.30 -1.32 103.07 103.41 3ddm h GLY 119 Ca 0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3ddm h GLY 119 CO -0.04 0.15 -0.24 1.41 0.00 0.00 0.00 176.54 177.81 3ddm h LEU 120 N 0.66 0.07 -0.51 3.11 3.38 -0.89 -2.51 115.31 118.62 3ddm h LEU 120 Ca 0.29 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 3ddm h LEU 120 Cb 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ddm h LEU 120 CO -0.18 0.32 -0.52 -0.78 0.09 0.00 0.00 178.44 177.36 3ddm h ASP 121 N 0.06 0.67 -0.65 -0.43 1.82 -0.02 -1.71 116.42 116.17 3ddm h ASP 121 Ca 0.01 -0.35 -0.06 0.00 -0.39 0.00 0.00 57.03 56.24 3ddm h ASP 121 Cb 0.47 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 3ddm h ASP 121 CO 0.03 1.07 0.16 0.40 -1.61 0.00 0.00 179.24 179.29 3ddm h ILE 122 N 0.47 1.26 -0.39 2.25 2.04 -1.09 -1.21 117.51 120.85 3ddm h ILE 122 Ca 0.02 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3ddm h ILE 122 Cb 1.07 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3ddm h ILE 122 CO 0.10 0.35 0.16 0.00 0.00 0.00 0.00 178.15 178.77 3ddm h ALA 123 N 1.06 0.51 -0.34 1.87 0.00 -1.29 0.19 119.26 121.26 3ddm h ALA 123 Ca 0.20 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3ddm h ALA 123 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ddm h ALA 123 CO 0.00 0.10 -0.17 -0.07 0.00 0.00 0.00 179.25 179.11 3ddm h LEU 124 N 0.48 0.61 -0.49 0.00 3.38 -1.14 0.22 115.31 118.37 3ddm h LEU 124 Ca 0.13 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3ddm h LEU 124 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ddm h LEU 124 CO -0.01 0.80 -0.57 0.00 0.09 0.00 0.00 178.44 178.74 3ddm h ASP 126 N 0.42 0.75 0.02 0.00 3.58 -0.54 0.12 116.42 120.78 3ddm h ASP 126 Ca 0.00 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 3ddm h ASP 126 Cb 1.13 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.98 3ddm h ASP 126 CO 0.11 0.79 -0.01 0.25 -2.88 0.00 0.00 179.24 177.50 3ddm h LEU 127 N 0.68 -0.03 0.09 2.28 7.12 -0.26 0.20 115.31 125.40 3ddm h LEU 127 Ca 0.16 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 3ddm h LEU 127 Cb 0.33 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 3ddm h LEU 127 CO 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 178.44 178.28 3ddm h ALA 128 N 0.91 -0.12 -0.56 1.25 0.00 -0.40 -1.24 119.26 119.10 3ddm h ALA 128 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ddm h ALA 128 Cb 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3ddm h ALA 128 CO 0.01 -0.56 0.29 0.00 0.00 0.00 0.00 179.25 178.98 3ddm h ALA 129 N 0.78 0.72 -0.56 0.00 0.00 -0.65 0.44 119.26 119.99 3ddm h ALA 129 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ddm h ALA 129 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ddm h ALA 129 CO 0.02 0.26 0.32 0.00 0.00 0.00 0.00 179.25 179.85 3ddm h ARG 130 N 0.75 0.76 -0.00 0.00 3.08 -0.48 0.50 114.38 118.99 3ddm h ARG 130 Ca 0.19 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 3ddm h ARG 130 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3ddm h ARG 130 CO -0.03 0.54 -0.76 -0.09 -1.07 0.00 0.00 179.97 178.57 3ddm h ARG 131 N 0.77 0.03 0.00 0.04 2.43 -0.58 -2.84 114.38 114.23 3ddm h ARG 131 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3ddm h ARG 131 Cb -0.01 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3ddm h ARG 131 CO -0.04 0.77 -0.18 0.00 -1.51 0.00 0.00 179.97 179.01 3ddm n ALA 132 N -2.41 2.75 -2.05 2.80 0.00 0.09 -4.93 120.51 116.77 3ddm n ALA 132 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 3ddm n ALA 132 Cb 0.73 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.83 3ddm n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddm n GLY 133 N 1.49 0.23 3.18 0.00 0.00 0.08 -5.05 105.19 105.12 3ddm n GLY 133 Ca 0.06 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 3ddm n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddm s GLN 134 N -4.13 1.22 0.73 1.61 -0.21 -0.66 -4.74 119.66 113.48 3ddm s GLN 134 Ca 0.00 -0.76 -0.15 0.00 0.02 0.00 0.00 55.36 54.47 3ddm s GLN 134 Cb 0.00 -1.25 0.04 0.00 1.00 0.00 0.00 33.01 32.80 3ddm s GLN 134 CO 0.00 0.33 1.20 -1.25 -2.12 0.00 0.00 175.29 173.44 3ddm s PRO 135 N -0.89 2.19 0.28 2.91 0.04 -1.25 -0.66 135.00 137.62 3ddm s PRO 135 Ca 0.05 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 3ddm s PRO 135 Cb -0.08 -1.84 0.45 0.00 0.04 0.00 0.00 34.50 33.07 3ddm s PRO 135 CO 0.01 -1.79 1.90 1.25 0.04 0.00 0.00 177.00 178.41 3ddm h LEU 136 N -0.29 0.99 -1.68 -3.56 5.85 -1.25 -2.12 115.31 113.25 3ddm h LEU 136 Ca -0.47 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.27 3ddm h LEU 136 Cb 1.29 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3ddm h LEU 136 CO 0.50 0.65 0.26 4.11 -0.34 0.00 0.00 178.44 183.61 3ddm h TRP 137 N 1.13 0.41 0.07 1.25 5.08 -1.85 -0.29 115.95 121.76 3ddm h TRP 137 Ca 0.40 0.01 -0.15 0.00 1.08 0.00 0.00 58.89 60.23 3ddm h TRP 137 Cb 0.14 -0.14 0.02 0.00 -3.00 0.00 0.00 29.16 26.18 3ddm h TRP 137 CO -0.00 0.24 -0.63 0.00 -1.28 0.00 0.00 178.44 176.77 3ddm h ALA 138 N 1.77 -0.02 -0.61 0.11 0.00 -1.65 0.44 119.26 119.31 3ddm h ALA 138 Ca 0.15 -0.62 0.15 0.00 0.00 0.00 0.00 54.91 54.60 3ddm h ALA 138 Cb 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ddm h ALA 138 CO -0.04 0.31 0.42 2.35 0.00 0.00 0.00 179.25 182.30 3ddm h TRP 139 N -0.34 0.17 -0.00 0.00 7.01 -0.94 0.41 115.95 122.25 3ddm h TRP 139 Ca -0.10 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.91 3ddm h TRP 139 Cb 1.43 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.43 3ddm h TRP 139 CO 0.18 0.07 -0.05 1.28 -2.79 0.00 0.00 178.44 177.13 3ddm n LEU 140 N -4.41 0.42 0.00 0.65 4.77 -0.16 -4.90 117.00 113.37 3ddm n LEU 140 Ca 0.11 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3ddm n LEU 140 Cb 0.58 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3ddm n LEU 140 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3ddm n GLY 141 N 1.19 0.70 3.70 -0.72 0.00 0.14 -4.99 105.19 105.22 3ddm n GLY 141 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3ddm n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ddm s GLY 142 N -1.41 1.60 0.00 -0.02 0.00 0.15 -4.98 107.32 102.67 3ddm s GLY 142 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.57 3ddm s GLY 142 CO 0.00 0.38 0.15 -1.14 0.00 0.00 0.00 173.10 172.49 3ddm n SER 143 N -3.97 0.30 -4.25 1.64 3.41 -1.26 -4.51 113.62 104.97 3ddm n SER 143 Ca 0.06 -0.64 -0.14 0.00 -0.26 0.00 0.00 58.87 57.90 3ddm n SER 143 Cb 0.56 0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 3ddm n SER 143 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ddm s GLY 144 N -0.35 1.31 -0.01 5.00 0.00 -1.26 -5.07 107.32 106.94 3ddm s GLY 144 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.10 3ddm s GLY 144 CO 0.00 -1.52 0.81 2.09 0.00 0.00 0.00 173.10 174.48 3ddm n ASP 145 N -0.27 1.01 -4.39 1.64 5.75 -1.26 -4.76 116.55 114.26 3ddm n ASP 145 Ca -0.05 -1.70 -0.34 0.00 -0.01 0.00 0.00 54.79 52.69 3ddm n ASP 145 Cb 0.64 -0.06 -0.13 0.00 -1.03 0.00 0.00 41.12 40.53 3ddm n ASP 145 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3ddm s ARG 146 N -0.67 3.50 0.06 0.11 3.52 -1.26 -0.30 118.95 123.91 3ddm s ARG 146 Ca 0.03 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 3ddm s ARG 146 Cb 0.03 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.42 3ddm s ARG 146 CO 0.00 0.00 -0.06 0.96 -0.81 0.00 0.00 175.30 175.39 3ddm s ILE 147 N 0.98 0.51 0.58 4.11 -4.36 -0.21 -4.96 121.20 117.85 3ddm s ILE 147 Ca 0.00 -1.40 -0.08 0.00 -0.26 0.00 0.00 60.65 58.92 3ddm s ILE 147 Cb -0.15 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.55 3ddm s ILE 147 CO 0.01 -0.61 0.92 -0.83 0.24 0.00 0.00 174.94 174.67 3ddm s GLY 148 N -2.15 1.59 0.17 6.27 0.00 -1.26 -1.10 107.32 110.84 3ddm s GLY 148 Ca -0.02 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.31 3ddm s GLY 148 CO -0.02 -0.18 0.13 3.33 0.00 0.00 0.00 173.10 176.36 3ddm n VAL 149 N -2.57 0.00 -3.59 1.40 0.24 -0.83 -2.04 118.33 110.94 3ddm n VAL 149 Ca 0.04 -1.23 -0.16 0.00 -2.04 0.00 0.00 64.34 60.95 3ddm n VAL 149 Cb 0.56 0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 3ddm n VAL 149 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3ddm s TYR 150 N -2.64 -0.58 -0.34 6.34 1.13 -0.76 -4.42 117.35 116.07 3ddm s TYR 150 Ca 0.19 1.09 -0.29 0.00 -1.41 0.00 0.00 57.07 56.65 3ddm s TYR 150 Cb 0.01 0.32 0.01 0.00 -1.10 0.00 0.00 41.96 41.20 3ddm s TYR 150 CO 0.13 -0.51 1.16 0.00 -2.51 0.00 0.00 175.55 173.82 3ddm s ALA 151 N -0.90 3.39 0.04 9.51 0.00 0.08 -1.01 121.76 132.88 3ddm s ALA 151 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3ddm s ALA 151 Cb -0.02 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3ddm s ALA 151 CO 0.07 -1.71 0.10 0.45 0.00 0.00 0.00 175.76 174.66 3ddm s SER 152 N 2.17 5.70 -0.41 0.00 0.15 0.56 -0.65 113.70 121.22 3ddm s SER 152 Ca 0.49 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.23 3ddm s SER 152 Cb -0.13 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 3ddm s SER 152 CO 0.21 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.47 3ddm n GLY 153 N 0.72 0.29 3.71 9.45 0.00 -1.17 -0.20 105.19 117.99 3ddm n GLY 153 Ca -0.10 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3ddm n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddm s ILE 154 N -2.22 2.25 0.31 -0.61 1.01 -0.85 -4.79 121.20 116.31 3ddm s ILE 154 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.47 3ddm s ILE 154 Cb 0.00 -3.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.32 3ddm s ILE 154 CO 0.00 0.01 1.04 0.20 0.00 0.00 0.00 174.94 176.18 3ddm s ASN 155 N 1.58 7.20 0.56 3.58 -0.87 -1.26 -2.15 114.94 123.58 3ddm s ASN 155 Ca 0.76 2.10 0.35 0.00 -1.57 0.00 0.00 52.86 54.49 3ddm s ASN 155 Cb -0.48 -2.61 1.88 0.00 -0.02 0.00 0.00 41.25 40.03 3ddm s ASN 155 CO 0.33 -0.18 2.05 1.55 -2.57 0.00 0.00 177.10 178.28 3ddm h PRO 156 N 3.43 0.00 0.00 -0.60 0.13 -1.93 -3.30 132.00 129.73 3ddm h PRO 156 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ddm h PRO 156 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ddm h PRO 156 CO 0.66 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 3ddm n GLU 157 N -2.77 0.00 -3.42 0.86 4.71 -1.26 -4.55 120.64 114.20 3ddm n GLU 157 Ca -0.02 0.30 -0.24 0.00 -0.01 0.00 0.00 57.16 57.19 3ddm n GLU 157 Cb 0.12 -1.02 -0.10 0.00 -1.01 0.00 0.00 31.44 29.43 3ddm n GLU 157 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3ddm s ASN 158 N -2.56 2.30 0.08 1.62 -0.87 -1.25 -5.04 114.94 109.21 3ddm s ASN 158 Ca 0.00 -1.95 -0.36 0.00 -1.57 0.00 0.00 52.86 48.98 3ddm s ASN 158 Cb 0.00 -0.03 -0.18 0.00 -0.02 0.00 0.00 41.25 41.02 3ddm s ASN 158 CO 0.00 -0.29 1.57 -0.65 -2.57 0.00 0.00 177.10 175.16 3ddm h PRO 159 N 7.05 -1.05 -1.63 -0.60 0.11 -1.80 -2.96 132.00 131.12 3ddm h PRO 159 Ca 0.05 0.07 0.47 0.00 0.11 0.00 0.00 66.00 66.71 3ddm h PRO 159 Cb 1.00 0.24 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3ddm h PRO 159 CO 0.24 -0.70 1.31 1.05 -0.21 0.00 0.00 178.00 179.69 3ddm h GLU 160 N -1.09 0.00 0.31 1.05 9.09 -1.93 0.32 114.58 122.33 3ddm h GLU 160 Ca -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.31 3ddm h GLU 160 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 3ddm h GLU 160 CO 0.02 0.00 -0.15 -0.44 0.05 0.00 0.00 179.01 178.49 3ddm h ASP 161 N 0.00 -0.35 -0.01 3.06 3.45 -1.95 -2.27 116.42 118.35 3ddm h ASP 161 Ca 0.78 -0.14 -0.06 0.00 0.43 0.00 0.00 57.03 58.04 3ddm h ASP 161 Cb 3.40 0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 42.24 3ddm h ASP 161 CO -0.01 0.12 -0.15 1.62 -1.57 0.00 0.00 179.24 179.26 3ddm h VAL 162 N -1.01 1.20 0.25 -1.35 3.04 -0.66 -2.58 116.25 115.14 3ddm h VAL 162 Ca -0.04 -0.90 -0.01 0.00 -1.01 0.00 0.00 66.70 64.74 3ddm h VAL 162 Cb 0.46 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 3ddm h VAL 162 CO 0.07 0.28 -0.16 0.58 -1.01 0.00 0.00 177.57 177.33 3ddm h VAL 163 N 0.29 0.65 -0.79 1.51 2.07 -0.61 -1.51 116.25 117.86 3ddm h VAL 163 Ca 0.06 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.69 3ddm h VAL 163 Cb 0.44 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 3ddm h VAL 163 CO 0.03 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.03 3ddm h ALA 164 N 0.32 1.13 -0.28 1.67 0.00 -1.11 0.45 119.26 121.44 3ddm h ALA 164 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ddm h ALA 164 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ddm h ALA 164 CO 0.02 -0.02 0.17 0.00 0.00 0.00 0.00 179.25 179.43 3ddm h ARG 165 N 0.67 0.34 -0.19 0.00 3.08 -1.08 -1.02 114.38 116.17 3ddm h ARG 165 Ca 0.40 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 3ddm h ARG 165 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3ddm h ARG 165 CO -0.29 0.23 -0.00 0.87 -1.07 0.00 0.00 179.97 179.70 3ddm h LYS 166 N 0.35 0.34 -0.32 0.04 1.79 -0.26 -0.89 116.57 117.63 3ddm h LYS 166 Ca 0.11 -0.11 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 3ddm h LYS 166 Cb -0.02 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 3ddm h LYS 166 CO -0.04 0.55 0.30 0.00 -1.08 0.00 0.00 179.45 179.18 3ddm h ALA 167 N 0.78 2.07 -0.02 3.86 0.00 0.02 0.44 119.26 126.41 3ddm h ALA 167 Ca 0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 3ddm h ALA 167 Cb 0.40 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ddm h ALA 167 CO 0.01 -0.47 -1.01 0.00 0.00 0.00 0.00 179.25 177.79 3ddm h ALA 168 N 1.70 0.15 0.00 0.00 0.00 -0.38 -3.02 119.26 117.71 3ddm h ALA 168 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ddm h ALA 168 Cb 0.75 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ddm h ALA 168 CO -0.00 0.68 0.00 0.93 0.00 0.00 0.00 179.25 180.86 3ddm h GLU 169 N 0.41 0.00 0.00 0.00 5.08 0.12 -3.45 114.58 116.73 3ddm h GLU 169 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3ddm h GLU 169 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3ddm h GLU 169 CO 0.20 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.62 3ddm n GLY 170 N -0.50 1.21 3.77 -3.84 0.00 -0.44 -4.79 105.19 100.60 3ddm n GLY 170 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3ddm n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ddm s TYR 171 N -1.93 2.91 -0.05 1.61 2.02 -0.76 -0.18 117.35 120.97 3ddm s TYR 171 Ca 0.00 1.52 0.13 0.00 -0.37 0.00 0.00 57.07 58.35 3ddm s TYR 171 Cb 0.00 -3.43 0.24 0.00 -0.40 0.00 0.00 41.96 38.36 3ddm s TYR 171 CO 0.00 -1.57 1.11 0.54 -1.57 0.00 0.00 175.55 174.06 3ddm n ARG 172 N -0.25 0.45 -3.64 -0.62 5.12 -1.26 -4.12 116.66 112.33 3ddm n ARG 172 Ca 0.06 -1.89 -0.13 0.00 -1.93 0.00 0.00 57.85 53.96 3ddm n ARG 172 Cb 0.47 -0.69 -0.07 0.00 -1.16 0.00 0.00 32.46 31.01 3ddm n ARG 172 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ddm s ALA 173 N -0.96 -1.73 0.03 7.54 0.00 -1.26 -4.10 121.76 121.28 3ddm s ALA 173 Ca 0.21 2.02 -0.01 0.00 0.00 0.00 0.00 51.96 54.18 3ddm s ALA 173 Cb 0.21 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3ddm s ALA 173 CO -0.05 -0.33 -0.02 -0.06 0.00 0.00 0.00 175.76 175.29 3ddm s PHE 174 N 0.56 0.34 -0.19 0.00 0.08 -1.00 -0.74 117.98 117.05 3ddm s PHE 174 Ca -0.02 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.32 3ddm s PHE 174 Cb -0.05 -0.25 0.05 0.00 -0.57 0.00 0.00 43.02 42.20 3ddm s PHE 174 CO -0.02 -0.26 -0.02 0.21 -0.10 0.00 0.00 175.22 175.03 3ddm s LYS 175 N -2.32 1.15 0.51 0.44 2.20 0.18 -0.14 119.74 121.75 3ddm s LYS 175 Ca -0.08 -0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 54.84 3ddm s LYS 175 Cb -0.04 -2.11 -0.07 0.00 -1.51 0.00 0.00 37.83 34.10 3ddm s LYS 175 CO -0.04 -0.54 0.94 -0.51 -0.36 0.00 0.00 175.35 174.84 3ddm s LEU 176 N 1.68 3.60 -0.25 5.43 1.02 0.18 -2.00 118.68 128.34 3ddm s LEU 176 Ca -0.01 1.43 -0.08 0.00 0.02 0.00 0.00 54.13 55.49 3ddm s LEU 176 Cb -0.17 -4.37 -0.03 0.00 0.02 0.00 0.00 46.19 41.64 3ddm s LEU 176 CO -0.07 -0.60 0.08 -0.54 0.02 0.00 0.00 176.35 175.24 3ddm s LYS 177 N -4.24 3.70 0.00 1.70 1.02 -0.92 -0.74 119.74 120.26 3ddm s LYS 177 Ca 0.56 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.09 3ddm s LYS 177 Cb -0.10 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3ddm s LYS 177 CO 0.36 -0.16 0.00 1.33 -0.92 0.00 0.00 175.35 175.96 3ddm n VAL 178 N 4.83 0.00 -0.38 3.17 0.24 -0.21 -4.42 118.33 121.56 3ddm n VAL 178 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3ddm n VAL 178 Cb 0.52 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 3ddm n VAL 178 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ddm n GLY 179 N 5.00 0.79 0.00 7.63 0.00 -1.26 -4.33 105.19 113.02 3ddm n GLY 179 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ddm n GLY 179 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ddm n PHE 180 N -2.34 0.00 -3.97 1.61 3.72 -1.26 -4.86 117.46 110.36 3ddm n PHE 180 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 3ddm n PHE 180 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 3ddm n PHE 180 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ddm s ASP 181 N -0.77 4.74 0.27 4.37 2.15 -1.26 -5.01 116.67 121.16 3ddm s ASP 181 Ca 0.00 -1.50 -0.07 0.00 0.43 0.00 0.00 52.55 51.41 3ddm s ASP 181 Cb 0.00 -1.65 0.46 0.00 -0.30 0.00 0.00 42.92 41.43 3ddm s ASP 181 CO 0.00 -0.27 1.50 0.47 -0.17 0.00 0.00 175.17 176.70 3ddm n ASP 182 N 4.50 -0.33 0.41 -0.34 10.43 -1.26 -0.90 116.55 129.06 3ddm n ASP 182 Ca -0.10 1.65 -0.19 0.00 2.57 0.00 0.00 54.79 58.72 3ddm n ASP 182 Cb 0.42 -0.51 -0.09 0.00 1.84 0.00 0.00 41.12 42.79 3ddm n ASP 182 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ddm h ALA 183 N 1.92 -1.26 0.08 2.24 0.00 -2.00 -2.56 119.26 117.69 3ddm h ALA 183 Ca 0.47 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ddm h ALA 183 Cb 0.73 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3ddm h ALA 183 CO -0.98 -1.21 -0.24 -0.09 0.00 0.00 0.00 179.25 176.72 3ddm h ARG 184 N -1.14 -0.40 -0.45 0.00 2.43 -1.67 -2.56 114.38 110.59 3ddm h ARG 184 Ca -0.10 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3ddm h ARG 184 Cb 0.91 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.46 3ddm h ARG 184 CO 0.10 -0.27 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.52 3ddm h ASP 185 N -0.42 -1.10 -0.66 -3.80 3.32 -1.05 0.20 116.42 112.91 3ddm h ASP 185 Ca 0.04 0.20 0.11 0.00 0.02 0.00 0.00 57.03 57.40 3ddm h ASP 185 Cb 0.46 0.53 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 3ddm h ASP 185 CO -0.16 -0.31 0.44 0.58 -1.72 0.00 0.00 179.24 178.07 3ddm h VAL 186 N -0.22 0.88 -0.06 -1.35 2.07 -1.31 -0.66 116.25 115.59 3ddm h VAL 186 Ca 0.19 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3ddm h VAL 186 Cb 0.54 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ddm h VAL 186 CO -0.58 0.08 -0.00 -0.09 0.02 0.00 0.00 177.57 177.00 3ddm h ARG 187 N 0.46 0.10 -0.49 1.57 2.43 -0.27 -2.64 114.38 115.54 3ddm h ARG 187 Ca 0.31 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3ddm h ARG 187 Cb 0.59 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 3ddm h ARG 187 CO -0.09 0.39 0.30 -0.91 -1.51 0.00 0.00 179.97 178.14 3ddm h ASN 188 N -0.19 0.48 0.43 -3.80 2.35 -0.06 -0.55 115.58 114.24 3ddm h ASN 188 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3ddm h ASN 188 Cb 0.35 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3ddm h ASN 188 CO 0.00 0.34 -0.40 0.00 -1.65 0.00 0.00 177.43 175.73 3ddm h ALA 189 N 1.21 -0.89 -0.45 -0.83 0.00 -1.12 0.14 119.26 117.32 3ddm h ALA 189 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ddm h ALA 189 Cb 0.01 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ddm h ALA 189 CO -0.08 -1.03 0.10 -0.07 0.00 0.00 0.00 179.25 178.16 3ddm h LEU 190 N -0.84 0.64 0.42 0.00 3.38 -1.41 -0.34 115.31 117.16 3ddm h LEU 190 Ca -0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3ddm h LEU 190 Cb 0.73 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ddm h LEU 190 CO -0.04 0.64 -0.20 -0.74 0.09 0.00 0.00 178.44 178.19 3ddm h HIS 191 N 0.67 -0.53 -0.88 1.13 2.76 -0.92 -1.84 115.15 115.55 3ddm h HIS 191 Ca 0.15 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.42 3ddm h HIS 191 Cb 0.27 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.34 3ddm h HIS 191 CO 0.01 -0.20 0.57 0.28 -1.30 0.00 0.00 177.93 177.29 3ddm h VAL 192 N -0.91 0.91 -0.17 5.26 2.07 -0.86 0.18 116.25 122.73 3ddm h VAL 192 Ca -0.06 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3ddm h VAL 192 Cb 0.56 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3ddm h VAL 192 CO 0.10 0.14 0.05 -0.09 0.02 0.00 0.00 177.57 177.79 3ddm h ARG 193 N 0.79 0.13 -0.49 1.57 9.65 -0.96 0.12 114.38 125.19 3ddm h ARG 193 Ca 0.42 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.26 3ddm h ARG 193 Cb 0.53 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 3ddm h ARG 193 CO -0.18 0.08 0.17 0.93 2.80 0.00 0.00 179.97 183.77 3ddm h GLU 194 N 0.13 0.74 -0.70 0.20 5.08 -0.15 -0.67 114.58 119.22 3ddm h GLU 194 Ca 0.08 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3ddm h GLU 194 Cb 0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3ddm h GLU 194 CO -0.09 0.68 0.30 1.25 -1.00 0.00 0.00 179.01 180.16 3ddm h LEU 195 N 0.65 0.92 0.03 1.33 5.85 -0.39 -3.23 115.31 120.49 3ddm h LEU 195 Ca 0.16 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 3ddm h LEU 195 Cb 0.23 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.04 3ddm h LEU 195 CO -0.01 0.81 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.30 3ddm h LEU 196 N 1.00 0.40 0.00 2.25 3.38 -0.57 -3.51 115.31 118.27 3ddm h LEU 196 Ca 0.24 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3ddm h LEU 196 Cb 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ddm h LEU 196 CO -0.03 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.30 3ddm n GLY 197 N 1.24 0.23 0.00 0.83 0.00 -0.27 -4.78 105.19 102.43 3ddm n GLY 197 Ca -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3ddm n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm n ALA 198 N -1.00 0.71 0.10 4.61 0.00 -1.26 -4.50 120.51 119.16 3ddm n ALA 198 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3ddm n ALA 198 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3ddm n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ddm h ALA 199 N 0.00 -0.05 -2.37 0.00 0.00 -1.96 -3.46 119.26 111.41 3ddm h ALA 199 Ca 0.00 -0.92 -0.56 0.00 0.00 0.00 0.00 54.91 53.43 3ddm h ALA 199 Cb 0.00 0.26 0.05 0.00 0.00 0.00 0.00 17.79 18.10 3ddm h ALA 199 CO 0.00 0.73 0.96 2.41 0.00 0.00 0.00 179.25 183.34 3ddm n THR 200 N -3.77 0.16 -2.46 0.00 -1.04 -1.26 -4.94 114.28 100.97 3ddm n THR 200 Ca -0.19 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 3ddm n THR 200 Cb 1.04 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 3ddm n THR 200 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3ddm s PRO 201 N 1.81 4.46 -0.04 -2.82 0.04 -1.26 -4.96 135.00 132.22 3ddm s PRO 201 Ca 0.81 1.72 0.06 0.00 0.04 0.00 0.00 61.00 63.62 3ddm s PRO 201 Cb -0.60 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 3ddm s PRO 201 CO 0.38 -0.21 -0.22 -1.17 0.04 0.00 0.00 177.00 175.83 3ddm s LEU 202 N 0.96 2.01 0.16 -3.56 2.96 -1.26 -2.36 118.68 117.58 3ddm s LEU 202 Ca 0.57 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 3ddm s LEU 202 Cb -0.28 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3ddm s LEU 202 CO 0.29 0.22 -0.13 -0.04 -1.32 0.00 0.00 176.35 175.37 3ddm s MET 203 N -0.16 1.14 -0.00 1.98 -1.94 0.80 -0.28 119.30 120.84 3ddm s MET 203 Ca -0.01 -1.41 0.04 0.00 -1.71 0.00 0.00 55.69 52.60 3ddm s MET 203 Cb -0.12 -0.93 -0.01 0.00 2.01 0.00 0.00 34.83 35.78 3ddm s MET 203 CO 0.02 0.16 -0.13 0.00 -0.01 0.00 0.00 175.02 175.06 3ddm s ALA 204 N -2.67 1.09 -0.12 3.03 0.00 -1.11 0.50 121.76 122.47 3ddm s ALA 204 Ca 0.15 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3ddm s ALA 204 Cb -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.86 3ddm s ALA 204 CO 0.04 0.26 -0.14 0.34 0.00 0.00 0.00 175.76 176.25 3ddm s ASP 205 N -0.45 2.46 0.00 0.00 2.15 0.08 0.14 116.67 121.04 3ddm s ASP 205 Ca 0.04 -0.43 0.21 0.00 0.43 0.00 0.00 52.55 52.81 3ddm s ASP 205 Cb -0.05 -1.08 0.07 0.00 -0.30 0.00 0.00 42.92 41.56 3ddm s ASP 205 CO -0.00 -0.02 1.09 0.00 -0.17 0.00 0.00 175.17 176.07 3ddm n ALA 206 N 4.43 3.02 -4.06 3.66 0.00 -0.86 -1.05 120.51 125.66 3ddm n ALA 206 Ca -0.18 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.33 3ddm n ALA 206 Cb 0.51 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 3ddm n ALA 206 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ddm n ASN 207 N 0.51 -0.44 -3.21 0.00 4.13 -1.25 -0.87 115.26 114.12 3ddm n ASN 207 Ca 0.10 -1.11 -0.23 0.00 1.68 0.00 0.00 54.58 55.02 3ddm n ASN 207 Cb 0.48 -2.52 0.02 0.00 -1.54 0.00 0.00 39.78 36.22 3ddm n ASN 207 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ddm n GLN 208 N -4.49 -4.61 0.07 3.52 6.02 0.79 -4.89 117.38 113.79 3ddm n GLN 208 Ca -0.29 0.74 0.12 0.00 -0.01 0.00 0.00 57.00 57.56 3ddm n GLN 208 Cb 0.68 -5.57 0.24 0.00 1.02 0.00 0.00 30.24 26.61 3ddm n GLN 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddm n GLY 209 N -1.44 -1.48 3.62 1.08 0.00 -0.05 -4.45 105.19 102.47 3ddm n GLY 209 Ca -0.07 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3ddm n GLY 209 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ddm s TRP 210 N -3.14 2.54 0.36 1.61 0.51 -1.01 -5.02 118.94 114.79 3ddm s TRP 210 Ca 0.08 -0.43 0.07 0.00 -2.12 0.00 0.00 56.10 53.70 3ddm s TRP 210 Cb 0.13 -1.45 -0.02 0.00 -0.81 0.00 0.00 33.47 31.32 3ddm s TRP 210 CO 0.69 0.50 0.38 0.16 -0.51 0.00 0.00 176.95 178.16 3ddm s ASP 211 N -3.70 5.45 0.18 2.95 -4.77 -1.26 -4.34 116.67 111.18 3ddm s ASP 211 Ca 0.34 -0.46 -0.21 0.00 -3.30 0.00 0.00 52.55 48.92 3ddm s ASP 211 Cb -0.00 -0.94 0.11 0.00 -1.09 0.00 0.00 42.92 41.00 3ddm s ASP 211 CO 0.19 -0.46 1.59 0.25 0.70 0.00 0.00 175.17 177.43 3ddm h LEU 212 N 1.06 -1.15 0.06 2.11 5.85 -1.96 0.41 115.31 121.70 3ddm h LEU 212 Ca -0.44 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3ddm h LEU 212 Cb 1.26 0.57 -0.05 0.00 0.37 0.00 0.00 40.66 42.81 3ddm h LEU 212 CO 0.56 -0.31 -0.42 -0.65 -0.34 0.00 0.00 178.44 177.28 3ddm h PRO 213 N -0.18 -0.60 -0.30 5.25 0.11 -2.00 -0.18 132.00 134.10 3ddm h PRO 213 Ca 0.22 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 3ddm h PRO 213 Cb 0.55 0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 3ddm h PRO 213 CO -0.66 -0.40 0.06 -0.09 -0.21 0.00 0.00 178.00 176.70 3ddm h ARG 214 N -0.62 0.44 -0.09 1.05 2.43 -1.90 -2.72 114.38 112.96 3ddm h ARG 214 Ca 0.03 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3ddm h ARG 214 Cb 0.67 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3ddm h ARG 214 CO -0.28 0.42 0.01 0.00 -1.51 0.00 0.00 179.97 178.61 3ddm h ALA 215 N 1.64 0.12 -0.72 2.80 0.00 -0.27 -1.30 119.26 121.54 3ddm h ALA 215 Ca 0.10 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3ddm h ALA 215 Cb 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 3ddm h ALA 215 CO -0.00 -0.22 0.33 0.00 0.00 0.00 0.00 179.25 179.37 3ddm h ARG 216 N -0.09 0.53 0.35 0.00 3.08 -0.82 0.13 114.38 117.55 3ddm h ARG 216 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ddm h ARG 216 Cb 0.31 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3ddm h ARG 216 CO 0.00 0.35 -0.17 0.37 -1.07 0.00 0.00 179.97 179.45 3ddm h GLN 217 N 0.55 -0.45 -0.97 0.04 4.15 -1.36 -2.33 115.11 114.74 3ddm h GLN 217 Ca 0.37 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.88 3ddm h GLN 217 Cb 0.45 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 3ddm h GLN 217 CO -0.31 -0.14 0.63 0.52 -1.93 0.00 0.00 178.83 177.59 3ddm h MET 218 N -0.79 1.09 0.16 1.69 2.86 -1.04 0.12 114.93 119.03 3ddm h MET 218 Ca -0.05 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3ddm h MET 218 Cb 0.52 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3ddm h MET 218 CO 0.08 0.72 -0.30 0.00 1.06 0.00 0.00 176.91 178.47 3ddm h ALA 219 N 1.48 -0.54 -0.13 6.32 0.00 -0.94 0.22 119.26 125.67 3ddm h ALA 219 Ca 0.41 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3ddm h ALA 219 Cb 0.17 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3ddm h ALA 219 CO -0.16 -0.86 -0.08 1.96 0.00 0.00 0.00 179.25 180.11 3ddm h GLN 220 N -0.55 -0.08 0.00 0.00 7.50 -0.77 -1.65 115.11 119.55 3ddm h GLN 220 Ca 0.02 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 3ddm h GLN 220 Cb 0.56 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.11 3ddm h GLN 220 CO -0.15 -0.05 -0.03 0.00 -1.50 0.00 0.00 178.83 177.09 3ddm h ARG 221 N -0.08 0.00 0.00 1.46 3.08 -0.43 -2.45 114.38 115.96 3ddm h ARG 221 Ca 0.08 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 3ddm h ARG 221 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3ddm h ARG 221 CO -0.19 0.03 -0.82 -0.07 -1.07 0.00 0.00 179.97 177.85 3ddm h LEU 222 N 0.00 0.00 -0.75 3.04 3.38 0.03 -3.39 115.31 117.63 3ddm h LEU 222 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3ddm h LEU 222 Cb 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.67 3ddm h LEU 222 CO 0.00 0.54 -0.17 0.61 0.09 0.00 0.00 178.44 179.52 3ddm n GLY 223 N 1.28 -1.23 0.35 0.83 0.00 -0.68 0.72 105.19 106.45 3ddm n GLY 223 Ca -0.02 0.80 0.18 0.00 0.00 0.00 0.00 46.02 46.98 3ddm n GLY 223 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ddm h PRO 224 N 0.00 0.00 0.00 1.61 0.11 -1.78 -0.10 132.00 131.84 3ddm h PRO 224 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3ddm h PRO 224 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3ddm h PRO 224 CO -0.77 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.02 3ddm n ALA 225 N -2.27 1.87 -3.62 -0.75 0.00 0.22 -4.93 120.51 111.04 3ddm n ALA 225 Ca 0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 3ddm n ALA 225 Cb 0.36 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.54 3ddm n ALA 225 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ddm n GLN 226 N -1.54 -1.75 -2.61 0.00 1.13 -0.05 -4.89 117.38 107.67 3ddm n GLN 226 Ca 0.05 0.54 -0.38 0.00 -1.94 0.00 0.00 57.00 55.26 3ddm n GLN 226 Cb 0.23 -4.51 -0.05 0.00 0.11 0.00 0.00 30.24 26.02 3ddm n GLN 226 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ddm s LEU 227 N -6.33 4.35 0.34 1.08 1.43 -1.26 -4.57 118.68 113.73 3ddm s LEU 227 Ca 0.42 2.04 0.08 0.00 -1.03 0.00 0.00 54.13 55.64 3ddm s LEU 227 Cb -0.13 -3.94 0.62 0.00 0.03 0.00 0.00 46.19 42.78 3ddm s LEU 227 CO 0.84 -0.23 1.81 0.44 0.23 0.00 0.00 176.35 179.44 3ddm h ASP 228 N 3.19 0.23 -4.59 2.29 5.19 -1.00 -3.44 116.42 118.28 3ddm h ASP 228 Ca -0.47 -0.07 0.19 0.00 -0.62 0.00 0.00 57.03 56.06 3ddm h ASP 228 Cb 1.21 -0.06 -0.16 0.00 0.18 0.00 0.00 39.33 40.49 3ddm h ASP 228 CO 0.65 0.50 0.66 -1.66 -3.12 0.00 0.00 179.24 176.27 3ddm s TRP 229 N -4.43 -0.22 -0.25 4.55 -2.14 -1.26 -4.33 118.94 110.87 3ddm s TRP 229 Ca -0.05 0.11 -0.02 0.00 2.66 0.00 0.00 56.10 58.80 3ddm s TRP 229 Cb 0.14 0.54 0.02 0.00 -3.10 0.00 0.00 33.47 31.07 3ddm s TRP 229 CO 0.75 -0.39 -0.04 -1.17 -2.66 0.00 0.00 176.95 173.43 3ddm s LEU 230 N -2.41 3.25 0.17 -4.66 0.20 0.33 -2.77 118.68 112.78 3ddm s LEU 230 Ca 0.08 -0.83 -0.18 0.00 0.69 0.00 0.00 54.13 53.89 3ddm s LEU 230 Cb -0.01 -1.69 -0.07 0.00 -0.43 0.00 0.00 46.19 43.99 3ddm s LEU 230 CO -0.06 -0.13 0.64 -0.70 -0.29 0.00 0.00 176.35 175.81 3ddm s GLU 231 N 1.35 4.15 -0.40 1.98 2.12 0.12 -0.91 118.70 127.11 3ddm s GLU 231 Ca 0.01 0.72 -0.07 0.00 0.36 0.00 0.00 54.97 55.99 3ddm s GLU 231 Cb -0.17 -2.97 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3ddm s GLU 231 CO -0.04 0.47 0.13 0.39 -0.54 0.00 0.00 175.26 175.67 3ddm n GLU 232 N 0.94 -0.87 0.31 4.30 1.02 -0.33 -2.02 120.64 124.00 3ddm n GLU 232 Ca -0.05 -0.21 0.19 0.00 -0.02 0.00 0.00 57.16 57.07 3ddm n GLU 232 Cb 0.51 -0.45 1.01 0.00 -0.02 0.00 0.00 31.44 32.49 3ddm n GLU 232 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ddm h PRO 233 N 0.93 0.00 -5.15 3.49 0.13 -1.84 0.23 132.00 129.78 3ddm h PRO 233 Ca -0.21 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.37 3ddm h PRO 233 Cb 0.42 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.42 3ddm h PRO 233 CO 0.18 0.02 -0.55 -0.51 -0.23 0.00 0.00 178.00 176.91 3ddm s LEU 234 N -6.68 2.13 0.29 1.56 1.43 -1.26 -2.40 118.68 113.75 3ddm s LEU 234 Ca -0.04 -1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 51.22 3ddm s LEU 234 Cb 0.13 -0.32 -0.09 0.00 0.03 0.00 0.00 46.19 45.93 3ddm s LEU 234 CO 0.49 -0.79 1.06 -0.13 0.23 0.00 0.00 176.35 177.21 3ddm s ARG 235 N -3.80 4.61 0.40 1.70 0.52 -1.26 -4.04 118.95 117.08 3ddm s ARG 235 Ca 0.26 1.70 0.27 0.00 -0.52 0.00 0.00 55.73 57.44 3ddm s ARG 235 Cb 0.05 -3.10 1.47 0.00 0.52 0.00 0.00 34.95 33.89 3ddm s ARG 235 CO 0.13 0.21 1.83 0.00 0.02 0.00 0.00 175.30 177.50 3ddm h ALA 236 N 3.66 1.00 -0.26 2.13 0.00 -1.95 -1.23 119.26 122.61 3ddm h ALA 236 Ca -0.47 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3ddm h ALA 236 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3ddm h ALA 236 CO 0.66 0.00 -0.42 0.22 0.00 0.00 0.00 179.25 179.71 3ddm h ASP 237 N 0.00 0.69 -2.63 0.00 3.58 -1.95 -3.47 116.42 112.64 3ddm h ASP 237 Ca 0.00 -0.32 -0.59 0.00 0.42 0.00 0.00 57.03 56.54 3ddm h ASP 237 Cb 0.01 -0.19 0.16 0.00 1.72 0.00 0.00 39.33 41.03 3ddm h ASP 237 CO 0.00 1.02 -0.51 0.54 -2.88 0.00 0.00 179.24 177.41 3ddm n ARG 238 N -4.02 0.46 -1.92 0.28 5.12 -0.47 -4.91 116.66 111.21 3ddm n ARG 238 Ca -0.02 0.17 -0.39 0.00 -1.93 0.00 0.00 57.85 55.68 3ddm n ARG 238 Cb 0.54 -1.54 0.01 0.00 -1.16 0.00 0.00 32.46 30.31 3ddm n ARG 238 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3ddm s PRO 239 N -1.76 3.69 0.30 5.56 0.02 -1.26 -4.89 135.00 136.66 3ddm s PRO 239 Ca 0.65 2.25 0.06 0.00 0.02 0.00 0.00 61.00 63.98 3ddm s PRO 239 Cb -0.50 -2.60 0.79 0.00 0.02 0.00 0.00 34.50 32.21 3ddm s PRO 239 CO 0.57 -0.76 1.73 0.00 -0.33 0.00 0.00 177.00 178.21 3ddm h ALA 240 N 2.27 1.61 -0.98 -1.55 0.00 -1.96 0.39 119.26 119.03 3ddm h ALA 240 Ca -0.50 0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.63 3ddm h ALA 240 Cb 1.26 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3ddm h ALA 240 CO 0.61 -0.25 0.63 0.00 0.00 0.00 0.00 179.25 180.23 3ddm h ALA 241 N 1.70 1.51 -0.61 0.00 0.00 -1.99 0.02 119.26 119.89 3ddm h ALA 241 Ca 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.42 3ddm h ALA 241 Cb 1.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ddm h ALA 241 CO -0.47 0.29 0.04 0.93 0.00 0.00 0.00 179.25 180.04 3ddm h GLU 242 N 1.04 1.03 -0.32 0.00 5.08 -1.27 -2.32 114.58 117.81 3ddm h GLU 242 Ca 0.46 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ddm h GLU 242 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ddm h GLU 242 CO -0.22 0.99 0.08 -1.49 -1.00 0.00 0.00 179.01 177.37 3ddm h TRP 243 N 0.95 0.54 -0.27 4.33 4.06 -1.14 -2.06 115.95 122.37 3ddm h TRP 243 Ca 0.18 -0.06 0.05 0.00 2.06 0.00 0.00 58.89 61.12 3ddm h TRP 243 Cb 0.50 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.45 3ddm h TRP 243 CO 0.03 0.56 -0.07 0.00 -3.56 0.00 0.00 178.44 175.40 3ddm h ALA 244 N 0.91 0.17 -0.93 1.49 0.00 -0.90 0.61 119.26 120.61 3ddm h ALA 244 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ddm h ALA 244 Cb 0.29 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3ddm h ALA 244 CO 0.00 -0.47 0.62 1.49 0.00 0.00 0.00 179.25 180.89 3ddm h GLU 245 N -0.00 1.18 -0.26 0.00 4.81 -1.29 -2.27 114.58 116.74 3ddm h GLU 245 Ca 0.13 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 3ddm h GLU 245 Cb 0.20 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3ddm h GLU 245 CO -0.28 0.78 -0.44 1.25 -0.73 0.00 0.00 179.01 179.60 3ddm h LEU 246 N 1.22 0.70 0.44 1.64 5.85 -0.59 -2.37 115.31 122.20 3ddm h LEU 246 Ca 0.36 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3ddm h LEU 246 Cb -0.06 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3ddm h LEU 246 CO -0.10 1.04 -0.21 0.00 -0.34 0.00 0.00 178.44 178.83 3ddm h ALA 247 N 0.99 -0.60 -0.04 1.25 0.00 -0.41 0.31 119.26 120.76 3ddm h ALA 247 Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ddm h ALA 247 Cb 0.97 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3ddm h ALA 247 CO 0.09 -0.83 -0.33 1.96 0.00 0.00 0.00 179.25 180.14 3ddm h GLN 248 N -0.61 -0.44 -0.94 0.00 4.20 -1.44 -2.81 115.11 113.06 3ddm h GLN 248 Ca -0.06 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3ddm h GLN 248 Cb 0.46 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 3ddm h GLN 248 CO 0.10 -0.30 0.59 0.00 -0.67 0.00 0.00 178.83 178.56 3ddm h ALA 249 N 0.27 1.20 -2.82 3.87 0.00 -1.33 -3.44 119.26 117.02 3ddm h ALA 249 Ca 0.07 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.37 3ddm h ALA 249 Cb 0.57 -0.38 0.08 0.00 0.00 0.00 0.00 17.79 18.06 3ddm h ALA 249 CO -0.30 0.63 0.55 0.00 0.00 0.00 0.00 179.25 180.13 3ddm s ALA 250 N -6.03 3.06 -0.24 0.00 0.00 0.11 -4.85 121.76 113.80 3ddm s ALA 250 Ca -0.13 1.11 0.19 0.00 0.00 0.00 0.00 51.96 53.12 3ddm s ALA 250 Cb 0.17 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.94 3ddm s ALA 250 CO 0.82 -0.83 1.33 -1.00 0.00 0.00 0.00 175.76 176.08 3ddm h PRO 251 N 2.22 0.00 -6.10 0.00 0.13 -1.84 -3.47 132.00 122.93 3ddm h PRO 251 Ca -0.50 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 3ddm h PRO 251 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 3ddm h PRO 251 CO 0.61 0.26 -0.54 0.00 -0.23 0.00 0.00 178.00 178.09 3ddm s MET 252 N -3.08 2.37 0.44 0.86 0.23 -1.26 -5.08 119.30 113.77 3ddm s MET 252 Ca 0.03 -1.54 -0.22 0.00 -1.03 0.00 0.00 55.69 52.93 3ddm s MET 252 Cb 0.07 -2.17 -0.09 0.00 -1.53 0.00 0.00 34.83 31.11 3ddm s MET 252 CO 0.74 0.13 1.03 -1.25 -2.03 0.00 0.00 175.02 173.64 3ddm s PRO 253 N -3.83 4.02 0.29 3.16 0.04 -1.26 -4.80 135.00 132.61 3ddm s PRO 253 Ca 0.37 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 3ddm s PRO 253 Cb -0.03 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 3ddm s PRO 253 CO 0.22 -0.25 0.64 -0.51 0.04 0.00 0.00 177.00 177.14 3ddm s LEU 254 N -3.05 4.07 0.05 -3.56 1.02 -1.26 -0.51 118.68 115.43 3ddm s LEU 254 Ca 0.62 1.04 0.03 0.00 0.02 0.00 0.00 54.13 55.83 3ddm s LEU 254 Cb -0.18 -3.84 -0.03 0.00 0.02 0.00 0.00 46.19 42.16 3ddm s LEU 254 CO 0.23 -0.18 -0.09 0.00 0.02 0.00 0.00 176.35 176.33 3ddm s ALA 255 N -1.99 0.69 -0.07 4.21 0.00 -0.08 -1.25 121.76 123.26 3ddm s ALA 255 Ca 0.50 -0.82 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 3ddm s ALA 255 Cb -0.11 0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.17 3ddm s ALA 255 CO 0.23 0.00 1.31 0.20 0.00 0.00 0.00 175.76 177.50 3ddm s GLY 256 N -1.66 -0.41 0.00 0.00 0.00 -0.91 -1.19 107.32 103.17 3ddm s GLY 256 Ca -0.08 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.56 3ddm s GLY 256 CO 0.01 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.93 3ddm n GLY 257 N -0.42 1.66 0.51 0.20 0.00 -1.26 -0.68 105.19 105.21 3ddm n GLY 257 Ca -0.07 -0.14 0.35 0.00 0.00 0.00 0.00 46.02 46.16 3ddm n GLY 257 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ddm h GLU 258 N 0.00 0.11 -0.22 1.61 4.57 -1.78 0.91 114.58 119.79 3ddm h GLU 258 Ca 0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3ddm h GLU 258 Cb 0.00 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 3ddm h GLU 258 CO 0.00 0.07 -0.18 0.09 -1.18 0.00 0.00 179.01 177.82 3ddm n ASN 259 N -4.35 2.40 -4.43 1.04 5.03 -1.26 -4.81 115.26 108.88 3ddm n ASN 259 Ca 0.30 -3.67 -0.32 0.00 0.87 0.00 0.00 54.58 51.76 3ddm n ASN 259 Cb 1.30 -0.58 -0.14 0.00 -1.02 0.00 0.00 39.78 39.34 3ddm n ASN 259 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ddm s ILE 260 N -3.17 2.81 -0.08 2.41 1.01 0.31 -4.95 121.20 119.54 3ddm s ILE 260 Ca 0.41 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3ddm s ILE 260 Cb 0.38 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.79 3ddm s ILE 260 CO -0.01 0.59 0.22 0.00 0.00 0.00 0.00 174.94 175.74 3ddm s ALA 261 N -0.67 -0.54 0.00 9.38 0.00 -1.26 -4.89 121.76 123.78 3ddm s ALA 261 Ca 0.10 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3ddm s ALA 261 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3ddm s ALA 261 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3ddm n GLY 262 N 2.95 2.29 0.27 0.00 0.00 -1.26 -4.35 105.19 105.08 3ddm n GLY 262 Ca -0.13 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.15 3ddm n GLY 262 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ddm h VAL 263 N 0.00 1.20 -0.32 1.61 3.04 -1.99 -2.45 116.25 117.34 3ddm h VAL 263 Ca 0.00 -0.50 0.01 0.00 -1.01 0.00 0.00 66.70 65.21 3ddm h VAL 263 Cb 0.00 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 29.60 3ddm h VAL 263 CO 0.00 0.22 0.19 0.00 -1.01 0.00 0.00 177.57 176.97 3ddm h ALA 264 N 1.18 0.40 -0.11 3.17 0.00 -1.99 -0.19 119.26 121.72 3ddm h ALA 264 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ddm h ALA 264 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ddm h ALA 264 CO -0.04 -0.17 0.07 0.00 0.00 0.00 0.00 179.25 179.11 3ddm h ALA 265 N 1.14 0.13 -0.14 0.00 0.00 -1.72 -1.12 119.26 117.55 3ddm h ALA 265 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ddm h ALA 265 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ddm h ALA 265 CO -0.06 -0.37 -0.13 0.74 0.00 0.00 0.00 179.25 179.43 3ddm h PHE 266 N 0.13 0.24 -0.41 0.00 0.04 -1.27 -1.88 116.94 113.79 3ddm h PHE 266 Ca 0.04 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 3ddm h PHE 266 Cb -0.00 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3ddm h PHE 266 CO -0.07 0.36 -0.21 1.49 -0.60 0.00 0.00 178.31 179.27 3ddm h GLU 267 N 0.22 0.81 -0.13 1.51 4.57 -0.61 0.06 114.58 121.01 3ddm h GLU 267 Ca 0.04 -0.33 -0.08 0.00 -1.18 0.00 0.00 59.36 57.82 3ddm h GLU 267 Cb 0.36 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3ddm h GLU 267 CO 0.02 0.95 -0.24 1.15 -1.18 0.00 0.00 179.01 179.71 3ddm h THR 268 N 0.71 1.37 -0.49 0.32 2.02 -0.79 -1.67 112.91 114.38 3ddm h THR 268 Ca 0.10 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 3ddm h THR 268 Cb 0.73 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 3ddm h THR 268 CO 0.06 0.44 0.24 0.00 0.37 0.00 0.00 175.52 176.62 3ddm h ALA 269 N 0.55 0.63 -0.48 6.16 0.00 -1.29 -1.60 119.26 123.23 3ddm h ALA 269 Ca 0.01 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ddm h ALA 269 Cb 0.82 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3ddm h ALA 269 CO 0.05 0.20 0.24 1.25 0.00 0.00 0.00 179.25 180.99 3ddm h LEU 270 N 0.65 0.35 -0.91 0.00 5.85 -0.95 -2.02 115.31 118.28 3ddm h LEU 270 Ca 0.17 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3ddm h LEU 270 Cb 0.12 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3ddm h LEU 270 CO -0.02 0.25 0.08 0.00 -0.34 0.00 0.00 178.44 178.40 3ddm h ALA 271 N 1.25 1.10 0.00 1.25 0.00 -1.01 -2.85 119.26 119.01 3ddm h ALA 271 Ca 0.21 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3ddm h ALA 271 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ddm h ALA 271 CO -0.14 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.41 3ddm h ALA 272 N 1.25 1.41 -2.32 0.00 0.00 -0.72 -3.47 119.26 115.41 3ddm h ALA 272 Ca 0.17 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 3ddm h ALA 272 Cb 0.39 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3ddm h ALA 272 CO 0.01 0.35 -0.38 0.54 0.00 0.00 0.00 179.25 179.77 3ddm n ARG 273 N -4.02 -1.66 0.08 0.00 1.74 -0.81 -4.84 116.66 107.15 3ddm n ARG 273 Ca -0.02 0.91 -0.11 0.00 -0.77 0.00 0.00 57.85 57.87 3ddm n ARG 273 Cb 0.35 -5.40 -0.03 0.00 -1.02 0.00 0.00 32.46 26.36 3ddm n ARG 273 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3ddm h SER 274 N 0.00 0.37 -3.68 0.55 0.02 -1.89 -3.41 113.55 105.51 3ddm h SER 274 Ca -0.38 -0.31 -0.68 0.00 -0.84 0.00 0.00 61.79 59.59 3ddm h SER 274 Cb 1.21 -0.11 -0.20 0.00 0.14 0.00 0.00 62.40 63.44 3ddm h SER 274 CO 0.49 1.12 -0.49 -0.76 -1.14 0.00 0.00 176.83 176.05 3ddm s LEU 275 N -7.51 4.49 0.00 5.07 1.43 -1.26 -4.32 118.68 116.58 3ddm s LEU 275 Ca -0.04 -0.49 0.26 0.00 -1.03 0.00 0.00 54.13 52.83 3ddm s LEU 275 Cb 0.09 -2.11 0.76 0.00 0.03 0.00 0.00 46.19 44.97 3ddm s LEU 275 CO 0.85 -0.25 1.57 0.54 0.23 0.00 0.00 176.35 179.29 3ddm n ARG 276 N 5.08 1.11 -3.79 1.70 1.74 -0.38 -4.64 116.66 117.47 3ddm n ARG 276 Ca -0.13 -0.68 -0.28 0.00 -0.77 0.00 0.00 57.85 55.99 3ddm n ARG 276 Cb 0.49 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.28 3ddm n ARG 276 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ddm s VAL 277 N -2.36 0.80 -0.14 1.55 1.01 -0.98 -1.37 120.40 118.92 3ddm s VAL 277 Ca 0.27 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3ddm s VAL 277 Cb 0.20 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3ddm s VAL 277 CO 0.47 -0.16 0.21 -0.04 0.00 0.00 0.00 175.10 175.58 3ddm s MET 278 N 1.73 3.93 -0.56 2.72 -1.94 0.02 -2.13 119.30 123.07 3ddm s MET 278 Ca -0.02 -0.02 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 3ddm s MET 278 Cb -0.17 -3.32 0.25 0.00 2.01 0.00 0.00 34.83 33.60 3ddm s MET 278 CO -0.07 0.49 0.69 1.04 -0.01 0.00 0.00 175.02 177.15 3ddm n GLN 279 N 2.80 1.99 -2.28 2.03 6.02 0.14 -2.34 117.38 125.74 3ddm n GLN 279 Ca -0.16 -4.23 -0.41 0.00 -0.01 0.00 0.00 57.00 52.19 3ddm n GLN 279 Cb 0.53 -1.94 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3ddm n GLN 279 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ddm s PRO 280 N -2.12 4.48 -0.46 -1.09 0.04 -1.26 -2.04 135.00 132.55 3ddm s PRO 280 Ca 0.39 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 3ddm s PRO 280 Cb 0.16 -3.13 0.08 0.00 0.04 0.00 0.00 34.50 31.65 3ddm s PRO 280 CO -0.04 -0.02 0.35 0.34 0.04 0.00 0.00 177.00 177.67 3ddm s ASP 281 N -0.59 5.92 0.59 6.66 -1.08 -1.26 -4.57 116.67 122.34 3ddm s ASP 281 Ca 0.48 -1.48 0.39 0.00 -0.52 0.00 0.00 52.55 51.42 3ddm s ASP 281 Cb -0.36 -2.10 2.05 0.00 -1.46 0.00 0.00 42.92 41.05 3ddm s ASP 281 CO 0.47 -0.63 2.19 0.17 0.52 0.00 0.00 175.17 177.89 3ddm h LEU 282 N 8.61 0.00 -0.43 -1.34 -0.00 -1.87 0.14 115.31 120.42 3ddm h LEU 282 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 3ddm h LEU 282 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 3ddm h LEU 282 CO 0.85 0.00 -0.31 0.00 -0.00 0.00 0.00 178.44 178.97 3ddm n ALA 283 N -2.03 3.19 -0.09 0.17 0.00 -1.26 -1.83 120.51 118.66 3ddm n ALA 283 Ca -0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 3ddm n ALA 283 Cb 0.11 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 3ddm n ALA 283 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ddm n LYS 284 N -0.77 1.08 -3.70 0.00 4.81 0.37 -1.74 118.16 118.22 3ddm n LYS 284 Ca 0.11 0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.42 3ddm n LYS 284 Cb 0.35 -1.44 -0.09 0.00 0.02 0.00 0.00 35.03 33.87 3ddm n LYS 284 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 3ddm s TRP 285 N -2.42 -0.43 0.00 5.64 -0.00 -0.53 -2.89 118.94 118.30 3ddm s TRP 285 Ca -0.12 0.92 0.00 0.00 -0.00 0.00 0.00 56.10 56.90 3ddm s TRP 285 Cb 0.06 0.19 0.00 0.00 -0.00 0.00 0.00 33.47 33.72 3ddm s TRP 285 CO 0.67 -0.35 0.00 0.41 -0.00 0.00 0.00 176.95 177.68 3ddm n GLY 286 N 2.01 0.00 7.00 5.86 0.00 -1.26 -4.27 105.19 114.53 3ddm n GLY 286 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3ddm n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddm n GLY 287 N -0.56 2.37 0.16 -0.02 0.00 -0.76 -0.60 105.19 105.77 3ddm n GLY 287 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 3ddm n GLY 287 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ddm h PHE 288 N 0.00 0.75 -0.72 1.61 0.04 -1.85 -1.53 116.94 115.25 3ddm h PHE 288 Ca 0.00 -0.42 0.04 0.00 2.80 0.00 0.00 57.97 60.39 3ddm h PHE 288 Cb 0.00 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 3ddm h PHE 288 CO 0.00 1.25 0.47 0.77 -0.60 0.00 0.00 178.31 180.20 3ddm h SER 289 N 0.04 0.73 0.04 2.17 0.02 -1.89 -1.37 113.55 113.30 3ddm h SER 289 Ca -0.10 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.63 3ddm h SER 289 Cb 1.47 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 3ddm h SER 289 CO 0.15 0.50 -1.12 1.23 -1.14 0.00 0.00 176.83 176.45 3ddm h GLY 290 N 0.84 0.10 1.85 -3.77 0.00 -0.92 -3.41 103.07 97.76 3ddm h GLY 290 Ca 0.29 -0.24 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 3ddm h GLY 290 CO -0.09 0.21 -0.77 0.00 0.00 0.00 0.00 176.54 175.90 3ddm h LEU 292 N 0.09 -1.32 -1.60 0.00 5.85 -1.44 0.18 115.31 117.06 3ddm h LEU 292 Ca -0.02 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3ddm h LEU 292 Cb 1.34 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 3ddm h LEU 292 CO 0.11 -0.42 -0.02 1.55 -0.34 0.00 0.00 178.44 179.32 3ddm h PRO 293 N -0.47 0.22 -0.01 5.25 0.13 -1.80 -1.39 132.00 133.94 3ddm h PRO 293 Ca 0.08 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.99 3ddm h PRO 293 Cb 0.62 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3ddm h PRO 293 CO -0.42 0.27 -0.84 -0.39 -0.23 0.00 0.00 178.00 176.38 3ddm h VAL 294 N 0.22 1.48 -0.39 1.56 -1.51 -1.39 -0.92 116.25 115.29 3ddm h VAL 294 Ca 0.05 -2.53 -0.03 0.00 -1.23 0.00 0.00 66.70 62.96 3ddm h VAL 294 Cb 0.19 2.40 -0.02 0.00 -2.13 0.00 0.00 31.29 31.74 3ddm h VAL 294 CO 0.01 0.74 0.13 0.00 -1.23 0.00 0.00 177.57 177.21 3ddm h ALA 295 N 0.99 0.52 -0.69 5.19 0.00 -0.32 -0.92 119.26 124.04 3ddm h ALA 295 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ddm h ALA 295 Cb 1.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3ddm h ALA 295 CO 0.13 0.16 0.35 0.00 0.00 0.00 0.00 179.25 179.89 3ddm h ARG 296 N 0.49 0.96 -0.28 0.00 3.08 -1.16 -1.89 114.38 115.58 3ddm h ARG 296 Ca 0.13 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3ddm h ARG 296 Cb 0.25 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3ddm h ARG 296 CO -0.00 0.73 -0.29 0.00 -1.07 0.00 0.00 179.97 179.33 3ddm h ALA 297 N 1.42 0.97 0.25 0.04 0.00 -0.72 -1.72 119.26 119.50 3ddm h ALA 297 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ddm h ALA 297 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ddm h ALA 297 CO -0.03 0.60 -0.12 0.28 0.00 0.00 0.00 179.25 179.98 3ddm h VAL 298 N 0.50 0.80 -0.61 0.00 2.07 -0.63 -1.96 116.25 116.42 3ddm h VAL 298 Ca 0.06 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3ddm h VAL 298 Cb 0.75 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3ddm h VAL 298 CO 0.06 0.12 0.39 0.58 0.02 0.00 0.00 177.57 178.74 3ddm h VAL 299 N -0.65 1.10 0.00 2.57 2.07 -1.37 -1.33 116.25 118.63 3ddm h VAL 299 Ca -0.03 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3ddm h VAL 299 Cb 0.46 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3ddm h VAL 299 CO 0.06 0.14 -0.20 0.00 0.02 0.00 0.00 177.57 177.58 3ddm h ALA 300 N 1.26 1.34 -0.02 1.67 0.00 -1.33 -1.03 119.26 121.15 3ddm h ALA 300 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ddm h ALA 300 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ddm h ALA 300 CO -0.09 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3ddm n ALA 301 N -2.35 2.61 -0.68 0.00 0.00 -0.69 -4.85 120.51 114.54 3ddm n ALA 301 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3ddm n ALA 301 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3ddm n ALA 301 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddm n GLY 302 N 0.89 0.74 4.02 0.00 0.00 -0.39 -5.05 105.19 105.40 3ddm n GLY 302 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3ddm n GLY 302 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddm s LEU 303 N 0.00 2.95 -0.18 0.99 1.43 -0.59 -4.97 118.68 118.32 3ddm s LEU 303 Ca 0.00 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3ddm s LEU 303 Cb 0.00 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3ddm s LEU 303 CO 0.00 -1.80 -0.06 -0.60 0.23 0.00 0.00 176.35 174.12 3ddm s ARG 304 N -5.02 3.49 -0.30 1.70 3.52 -0.47 -4.00 118.95 117.86 3ddm s ARG 304 Ca 0.66 -0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 55.55 3ddm s ARG 304 Cb -0.04 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 3ddm s ARG 304 CO 0.43 0.04 0.21 -0.47 -0.81 0.00 0.00 175.30 174.70 3ddm s TYR 305 N 0.87 3.22 -0.33 5.12 5.04 -1.26 -0.80 117.35 129.22 3ddm s TYR 305 Ca -0.01 -0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.56 3ddm s TYR 305 Cb -0.15 -2.42 0.12 0.00 0.35 0.00 0.00 41.96 39.87 3ddm s TYR 305 CO 0.01 -0.25 0.18 0.00 -1.34 0.00 0.00 175.55 174.15 3ddm s PRO 307 N 1.48 0.60 -0.03 0.00 0.04 -1.25 -4.46 135.00 131.38 3ddm s PRO 307 Ca 0.14 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 3ddm s PRO 307 Cb -0.20 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.64 3ddm s PRO 307 CO -0.15 -2.55 0.71 -3.38 0.04 0.00 0.00 177.00 171.67 3ddm s HIS 308 N -3.21 -0.60 -0.14 0.56 -3.43 -1.26 -2.00 115.29 105.21 3ddm s HIS 308 Ca 0.66 0.93 -0.05 0.00 -0.80 0.00 0.00 55.06 55.79 3ddm s HIS 308 Cb -0.14 0.44 0.07 0.00 -1.43 0.00 0.00 32.58 31.51 3ddm s HIS 308 CO 0.55 -0.61 0.29 -0.47 -2.00 0.00 0.00 174.74 172.49 3ddm s TYR 309 N -1.61 -0.47 -0.61 0.38 5.04 -1.14 -4.79 117.35 114.14 3ddm s TYR 309 Ca -0.08 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 3ddm s TYR 309 Cb -0.00 0.03 0.42 0.00 0.35 0.00 0.00 41.96 42.75 3ddm s TYR 309 CO 0.05 -0.36 1.75 1.28 -1.34 0.00 0.00 175.55 176.93 3ddm n LEU 310 N 5.22 6.72 0.00 6.97 7.99 -1.26 -4.19 117.00 138.44 3ddm n LEU 310 Ca -0.09 -4.65 0.00 0.00 -0.01 0.00 0.00 56.01 51.26 3ddm n LEU 310 Cb 0.50 -0.81 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 3ddm n LEU 310 CO 0.03 1.78 0.00 0.61 -1.51 0.00 0.00 177.39 178.30 3ddm n GLY 311 N -0.72 5.25 3.81 -0.72 0.00 -1.26 -4.99 105.19 106.56 3ddm n GLY 311 Ca 0.54 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 3ddm n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm s ALA 312 N -2.00 1.95 0.34 4.61 0.00 -1.26 -4.51 121.76 120.89 3ddm s ALA 312 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.43 3ddm s ALA 312 Cb 0.00 -3.01 0.68 0.00 0.00 0.00 0.00 23.12 20.79 3ddm s ALA 312 CO 0.00 -2.18 1.92 0.78 0.00 0.00 0.00 175.76 176.28 3ddm h GLY 313 N -1.43 1.13 0.61 0.00 0.00 -0.59 -2.97 103.07 99.83 3ddm h GLY 313 Ca -0.49 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 46.56 3ddm h GLY 313 CO 0.62 0.23 0.28 -2.22 0.00 0.00 0.00 176.54 175.45 3ddm h ILE 314 N 0.84 0.90 -0.17 2.60 1.08 -1.84 0.35 117.51 121.28 3ddm h ILE 314 Ca 0.37 -0.18 -0.10 0.00 -0.39 0.00 0.00 64.86 64.56 3ddm h ILE 314 Cb 0.32 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3ddm h ILE 314 CO -0.14 0.10 -0.31 1.23 -0.69 0.00 0.00 178.15 178.33 3ddm h GLY 315 N 0.53 0.36 0.72 5.37 0.00 -1.88 -1.39 103.07 106.78 3ddm h GLY 315 Ca 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3ddm h GLY 315 CO -0.21 0.28 -0.05 -2.00 0.00 0.00 0.00 176.54 174.56 3ddm h LEU 316 N 0.29 0.25 -0.84 3.11 5.85 -1.06 -1.99 115.31 120.92 3ddm h LEU 316 Ca 0.04 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.39 3ddm h LEU 316 Cb 0.70 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3ddm h LEU 316 CO 0.05 0.61 0.53 1.56 -0.34 0.00 0.00 178.44 180.85 3ddm h GLN 317 N -0.10 0.98 -0.10 1.25 1.08 -0.23 -0.91 115.11 117.08 3ddm h GLN 317 Ca 0.03 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3ddm h GLN 317 Cb 0.51 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3ddm h GLN 317 CO 0.02 0.65 -0.06 0.00 -0.95 0.00 0.00 178.83 178.49 3ddm h ALA 318 N 1.37 0.03 -0.43 3.87 0.00 -1.13 -1.13 119.26 121.85 3ddm h ALA 318 Ca 0.35 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 3ddm h ALA 318 Cb 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ddm h ALA 318 CO -0.14 -0.52 0.06 0.77 0.00 0.00 0.00 179.25 179.42 3ddm h SER 319 N -0.05 0.61 -0.82 0.00 0.02 -0.93 -1.96 113.55 110.42 3ddm h SER 319 Ca 0.06 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3ddm h SER 319 Cb 0.14 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3ddm h SER 319 CO -0.13 0.64 0.39 0.00 -1.14 0.00 0.00 176.83 176.59 3ddm h ALA 320 N 1.44 1.06 -0.40 3.77 0.00 -0.40 0.17 119.26 124.90 3ddm h ALA 320 Ca 0.14 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3ddm h ALA 320 Cb 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ddm h ALA 320 CO 0.00 0.63 -0.26 0.45 0.00 0.00 0.00 179.25 180.08 3ddm h HIS 321 N 1.17 0.96 -0.29 0.00 3.86 -0.79 -0.73 115.15 119.33 3ddm h HIS 321 Ca 0.28 -0.24 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 3ddm h HIS 321 Cb 0.13 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3ddm h HIS 321 CO 0.01 1.00 -0.19 1.25 0.86 0.00 0.00 177.93 180.86 3ddm h LEU 322 N 0.71 0.68 -0.84 2.43 5.85 -0.85 -1.10 115.31 122.19 3ddm h LEU 322 Ca 0.09 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3ddm h LEU 322 Cb 0.80 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3ddm h LEU 322 CO 0.07 0.96 0.54 0.25 -0.34 0.00 0.00 178.44 179.92 3ddm h LEU 323 N 0.39 0.98 -0.58 2.25 5.85 -0.56 -0.11 115.31 123.54 3ddm h LEU 323 Ca 0.06 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3ddm h LEU 323 Cb 0.73 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3ddm h LEU 323 CO 0.05 0.73 0.35 0.00 -0.34 0.00 0.00 178.44 179.24 3ddm h ALA 324 N 1.29 0.75 0.00 1.25 0.00 -0.90 -0.86 119.26 120.79 3ddm h ALA 324 Ca 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3ddm h ALA 324 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ddm h ALA 324 CO -0.06 0.08 -0.21 0.00 0.00 0.00 0.00 179.25 179.06 3ddm h ALA 325 N 1.25 1.27 -2.11 0.00 0.00 -0.21 -3.32 119.26 116.15 3ddm h ALA 325 Ca 0.23 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 3ddm h ALA 325 Cb 0.02 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.38 3ddm h ALA 325 CO -0.10 0.26 -0.96 0.28 0.00 0.00 0.00 179.25 178.73 3ddm n VAL 326 N -3.74 0.08 0.50 0.00 0.31 -0.15 -4.54 118.33 110.79 3ddm n VAL 326 Ca -0.01 -4.29 0.07 0.00 -0.01 0.00 0.00 64.34 60.10 3ddm n VAL 326 Cb 0.32 -1.98 0.30 0.00 -0.91 0.00 0.00 33.84 31.58 3ddm n VAL 326 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3ddm n PRO 327 N 1.40 0.02 0.00 5.55 -0.04 -0.40 -4.73 135.00 136.80 3ddm n PRO 327 Ca 0.24 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 3ddm n PRO 327 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3ddm n PRO 327 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ddm n GLY 328 N -0.06 -1.10 0.00 0.55 0.00 -1.26 -2.00 105.19 101.32 3ddm n GLY 328 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3ddm n GLY 328 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ddm n LEU 329 N -1.65 0.00 0.16 0.99 4.77 -1.26 -4.71 117.00 115.30 3ddm n LEU 329 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3ddm n LEU 329 Cb 0.00 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 3ddm n LEU 329 CO 0.00 0.00 0.60 0.00 -1.33 0.00 0.00 177.39 176.66 3ddm h ALA 330 N -0.67 1.13 -3.12 -1.18 0.00 -1.95 -3.34 119.26 110.13 3ddm h ALA 330 Ca 0.00 -0.45 -0.64 0.00 0.00 0.00 0.00 54.91 53.82 3ddm h ALA 330 Cb 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.30 3ddm h ALA 330 CO 0.00 0.62 -0.51 -1.12 0.00 0.00 0.00 179.25 178.24 3ddm s SER 331 N -6.82 4.90 0.85 0.00 0.01 -1.26 -5.10 113.70 106.28 3ddm s SER 331 Ca -0.02 -3.64 -0.13 0.00 1.31 0.00 0.00 55.95 53.47 3ddm s SER 331 Cb 0.13 -1.68 0.04 0.00 0.21 0.00 0.00 66.02 64.72 3ddm s SER 331 CO 0.74 -0.14 0.74 -0.81 0.41 0.00 0.00 173.24 174.19 3ddm n PRO 332 N 2.30 -0.02 -4.18 12.44 -0.04 -1.26 -4.67 135.00 139.57 3ddm n PRO 332 Ca 0.17 0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.40 3ddm n PRO 332 Cb 0.35 -2.07 -0.08 0.00 -0.04 0.00 0.00 33.50 31.66 3ddm n PRO 332 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ddm s GLY 333 N -1.97 1.77 0.12 0.55 0.00 -0.85 -4.91 107.32 102.03 3ddm s GLY 333 Ca 0.65 -1.29 0.09 0.00 0.00 0.00 0.00 44.72 44.16 3ddm s GLY 333 CO 0.59 -1.30 -0.17 1.08 0.00 0.00 0.00 173.10 173.30 3ddm s LEU 334 N -2.78 2.74 -0.27 0.66 2.01 -1.26 -4.43 118.68 115.34 3ddm s LEU 334 Ca 0.27 -0.56 -0.11 0.00 0.01 0.00 0.00 54.13 53.74 3ddm s LEU 334 Cb -0.10 -1.56 -0.05 0.00 0.01 0.00 0.00 46.19 44.49 3ddm s LEU 334 CO 0.19 0.17 0.18 -0.22 1.01 0.00 0.00 176.35 177.68 3ddm s LEU 335 N -2.20 4.03 -0.17 1.79 1.98 -0.86 -3.89 118.68 119.34 3ddm s LEU 335 Ca 0.19 0.01 -0.29 0.00 -2.89 0.00 0.00 54.13 51.14 3ddm s LEU 335 Cb -0.10 -2.12 -0.01 0.00 0.66 0.00 0.00 46.19 44.62 3ddm s LEU 335 CO 0.11 -0.03 1.25 -0.83 -1.89 0.00 0.00 176.35 174.96 3ddm s GLY 336 N 1.66 1.64 -0.18 7.98 0.00 -0.85 -1.83 107.32 115.73 3ddm s GLY 336 Ca 0.07 0.43 -0.03 0.00 0.00 0.00 0.00 44.72 45.19 3ddm s GLY 336 CO 0.10 2.49 -0.05 0.14 0.00 0.00 0.00 173.10 175.77 3ddm s VAL 337 N 3.51 3.53 -0.16 1.40 1.01 -0.18 -2.89 120.40 126.61 3ddm s VAL 337 Ca 0.54 -0.47 -0.34 0.00 0.00 0.00 0.00 61.98 61.72 3ddm s VAL 337 Cb -0.21 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.50 3ddm s VAL 337 CO 0.14 0.47 2.00 -0.67 0.00 0.00 0.00 175.10 177.03 3ddm n ASP 338 N 4.08 3.16 0.10 3.32 2.03 -1.26 -0.32 116.55 127.65 3ddm n ASP 338 Ca -0.18 0.75 0.11 0.00 0.52 0.00 0.00 54.79 55.98 3ddm n ASP 338 Cb 0.52 -1.38 0.45 0.00 -0.72 0.00 0.00 41.12 39.99 3ddm n ASP 338 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ddm n ALA 339 N 8.06 1.65 -2.28 -1.67 0.00 0.72 -4.77 120.51 122.20 3ddm n ALA 339 Ca 0.27 0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 3ddm n ALA 339 Cb 0.30 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 3ddm n ALA 339 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ddm s ASN 340 N -3.93 7.36 0.31 0.00 -0.87 -1.26 -5.00 114.94 111.55 3ddm s ASN 340 Ca 0.05 1.63 -0.27 0.00 -1.57 0.00 0.00 52.86 52.69 3ddm s ASN 340 Cb 0.09 -2.53 -0.14 0.00 -0.02 0.00 0.00 41.25 38.66 3ddm s ASN 340 CO 0.35 0.00 0.97 0.47 -2.57 0.00 0.00 177.10 176.33 3ddm n ASP 341 N 2.65 1.12 -3.05 -1.22 9.92 -1.26 -4.97 116.55 119.74 3ddm n ASP 341 Ca -0.01 1.15 0.05 0.00 -0.53 0.00 0.00 54.79 55.45 3ddm n ASP 341 Cb 0.49 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 3ddm n ASP 341 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3ddm s ASN 342 N -0.61 -0.28 0.47 -2.24 3.04 -1.26 -5.03 114.94 109.03 3ddm s ASN 342 Ca 0.59 -0.01 0.24 0.00 0.04 0.00 0.00 52.86 53.73 3ddm s ASN 342 Cb -0.69 0.97 1.27 0.00 -1.54 0.00 0.00 41.25 41.26 3ddm s ASN 342 CO 0.59 -0.05 1.85 -0.65 -3.04 0.00 0.00 177.10 175.81 3ddm h PRO 343 N 6.72 0.22 0.00 0.43 0.11 -1.97 0.12 132.00 137.63 3ddm h PRO 343 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3ddm h PRO 343 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ddm h PRO 343 CO -0.11 0.15 0.00 1.28 -0.21 0.00 0.00 178.00 179.10 3ddm n LEU 344 N -4.42 0.05 -0.08 2.35 4.77 -1.26 -0.56 117.00 117.86 3ddm n LEU 344 Ca 0.20 0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 56.60 3ddm n LEU 344 Cb 0.85 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3ddm n LEU 344 CO 0.33 -0.45 -0.69 -1.14 -1.33 0.00 0.00 177.39 174.11 3ddm n ARG 345 N -1.57 0.47 0.25 3.23 0.63 0.41 -0.12 116.66 119.96 3ddm n ARG 345 Ca 0.01 0.19 0.08 0.00 -0.92 0.00 0.00 57.85 57.21 3ddm n ARG 345 Cb 0.06 -1.32 0.62 0.00 0.45 0.00 0.00 32.46 32.27 3ddm n ARG 345 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3ddm h SER 346 N -0.87 0.00 1.08 6.15 4.64 -1.52 -1.17 113.55 121.86 3ddm h SER 346 Ca -0.08 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 3ddm h SER 346 Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3ddm h SER 346 CO -0.05 0.10 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.56 3ddm h LEU 347 N 0.00 0.00 -3.02 5.97 3.38 -1.08 -3.30 115.31 117.26 3ddm h LEU 347 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddm h LEU 347 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ddm h LEU 347 CO 0.01 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.10 3ddm n LEU 348 N -3.39 2.46 -3.25 1.67 4.77 -0.88 -4.81 117.00 113.57 3ddm n LEU 348 Ca 0.01 -2.98 -0.25 0.00 -0.03 0.00 0.00 56.01 52.76 3ddm n LEU 348 Cb 0.56 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3ddm n LEU 348 CO 0.37 0.69 -0.22 -0.24 -1.33 0.00 0.00 177.39 176.67 3ddm n SER 349 N -1.26 0.97 -0.20 -1.43 2.88 -0.50 -3.52 113.62 110.56 3ddm n SER 349 Ca 0.15 -2.86 0.25 0.00 -1.33 0.00 0.00 58.87 55.09 3ddm n SER 349 Cb 0.63 -0.65 0.65 0.00 -0.75 0.00 0.00 64.21 64.09 3ddm n SER 349 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3ddm h PRO 350 N 4.06 0.14 -0.77 -1.46 0.13 -1.87 -1.24 132.00 130.98 3ddm h PRO 350 Ca 0.10 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.27 3ddm h PRO 350 Cb 0.83 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 3ddm h PRO 350 CO 0.54 0.09 0.51 0.00 -0.23 0.00 0.00 178.00 178.91 3ddm h ALA 351 N 1.58 1.60 0.00 -0.56 0.00 -1.92 -1.13 119.26 118.84 3ddm h ALA 351 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3ddm h ALA 351 Cb 1.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ddm h ALA 351 CO -0.07 0.29 0.20 -0.07 0.00 0.00 0.00 179.25 179.60 3ddm h LEU 352 N 0.88 0.00 -0.84 0.00 3.38 -1.58 0.93 115.31 118.08 3ddm h LEU 352 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3ddm h LEU 352 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ddm h LEU 352 CO -0.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.43 3ddm h ALA 353 N 1.59 1.00 -0.01 1.53 0.00 -1.38 -2.75 119.26 119.24 3ddm h ALA 353 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ddm h ALA 353 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ddm h ALA 353 CO 0.00 0.00 -0.15 0.25 0.00 0.00 0.00 179.25 179.35 3ddm n THR 354 N -2.58 0.00 -1.70 0.00 -2.24 0.32 -4.94 114.28 103.14 3ddm n THR 354 Ca 0.02 -0.17 -0.60 0.00 -2.27 0.00 0.00 64.05 61.03 3ddm n THR 354 Cb 0.29 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 3ddm n THR 354 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3ddm n LEU 355 N -0.35 1.97 -3.43 3.22 7.94 -1.04 -4.62 117.00 120.69 3ddm n LEU 355 Ca 0.15 1.11 0.01 0.00 -1.11 0.00 0.00 56.01 56.17 3ddm n LEU 355 Cb 0.35 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 3ddm n LEU 355 CO 0.22 -0.63 0.26 -2.28 -1.11 0.00 0.00 177.39 173.85 3ddm s HIS 356 N 3.05 -1.36 -0.94 1.96 5.65 -0.10 -4.87 115.29 118.67 3ddm s HIS 356 Ca 0.99 1.96 -0.05 0.00 0.25 0.00 0.00 55.06 58.20 3ddm s HIS 356 Cb -1.17 0.67 0.01 0.00 -1.18 0.00 0.00 32.58 30.91 3ddm s HIS 356 CO 0.68 -0.71 0.82 -1.91 -0.65 0.00 0.00 174.74 172.97 3ddm n GLU 357 N 5.41 -5.50 -1.65 2.88 0.00 -1.25 -2.96 120.64 117.58 3ddm n GLU 357 Ca -0.08 0.59 -0.12 0.00 0.00 0.00 0.00 57.16 57.55 3ddm n GLU 357 Cb 0.50 -4.88 -0.04 0.00 0.00 0.00 0.00 31.44 27.02 3ddm n GLU 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ddm n GLY 358 N -1.50 0.86 3.17 8.31 0.00 0.75 -4.91 105.19 111.88 3ddm n GLY 358 Ca -0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3ddm n GLY 358 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ddm s ARG 359 N -3.56 0.84 0.05 1.61 0.52 -1.15 -1.97 118.95 115.28 3ddm s ARG 359 Ca 0.00 -1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 53.98 3ddm s ARG 359 Cb 0.00 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.71 3ddm s ARG 359 CO 0.00 -0.24 -0.01 0.96 0.02 0.00 0.00 175.30 176.03 3ddm s ILE 360 N -3.95 0.21 -0.06 1.52 -4.36 -0.25 -0.93 121.20 113.39 3ddm s ILE 360 Ca 0.13 -1.76 0.04 0.00 -0.26 0.00 0.00 60.65 58.80 3ddm s ILE 360 Cb 0.06 -1.50 -0.00 0.00 1.25 0.00 0.00 42.46 42.27 3ddm s ILE 360 CO -0.05 -0.97 -0.20 0.42 0.24 0.00 0.00 174.94 174.38 3ddm s THR 361 N -3.90 1.66 -0.05 8.37 -4.23 -1.26 -1.04 115.64 115.19 3ddm s THR 361 Ca 0.07 -0.83 0.13 0.00 -1.18 0.00 0.00 61.69 59.88 3ddm s THR 361 Cb 0.08 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.49 3ddm s THR 361 CO -0.10 0.47 1.44 -0.07 -0.54 0.00 0.00 174.62 175.82 3ddm h LEU 362 N 6.36 0.00 0.00 4.79 3.38 -1.03 -3.45 115.31 125.37 3ddm h LEU 362 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3ddm h LEU 362 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ddm h LEU 362 CO 0.47 0.61 0.00 0.61 0.09 0.00 0.00 178.44 180.22 3ddm n GLY 363 N 1.13 -2.43 0.72 0.83 0.00 -1.26 -4.62 105.19 99.56 3ddm n GLY 363 Ca 0.01 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.48 3ddm n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddm n GLY 364 N -0.49 3.00 3.74 -0.02 0.00 -1.26 -4.87 105.19 105.28 3ddm n GLY 364 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3ddm n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm s ALA 365 N -1.37 3.84 0.39 4.61 0.00 -1.26 -4.17 121.76 123.80 3ddm s ALA 365 Ca 0.28 1.60 -0.27 0.00 0.00 0.00 0.00 51.96 53.57 3ddm s ALA 365 Cb 0.17 -3.68 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3ddm s ALA 365 CO 0.15 -0.98 1.40 -1.25 0.00 0.00 0.00 175.76 175.08 3ddm s PRO 366 N 0.21 4.02 3.12 0.00 0.04 -1.26 -3.78 135.00 137.35 3ddm s PRO 366 Ca 0.69 2.38 0.00 0.00 0.04 0.00 0.00 61.00 64.11 3ddm s PRO 366 Cb -0.49 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3ddm s PRO 366 CO 0.41 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.33 3ddm n GLY 367 N 0.59 0.45 0.18 0.56 0.00 0.17 -3.73 105.19 103.41 3ddm n GLY 367 Ca 0.02 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 45.00 3ddm n GLY 367 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ddm h LEU 368 N 0.00 0.00 0.00 0.99 3.38 -1.85 -0.14 115.31 117.69 3ddm h LEU 368 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddm h LEU 368 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ddm h LEU 368 CO 0.00 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.52 3ddm n GLY 369 N 0.30 0.57 3.57 0.83 0.00 -1.24 -4.90 105.19 104.32 3ddm n GLY 369 Ca -0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 3ddm n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddm s VAL 370 N -2.00 -0.00 -0.26 1.61 0.11 -1.26 -4.83 120.40 113.77 3ddm s VAL 370 Ca 0.00 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 3ddm s VAL 370 Cb 0.00 -0.92 0.06 0.00 -1.53 0.00 0.00 36.38 33.99 3ddm s VAL 370 CO 0.00 0.00 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.82 3ddm s THR 371 N 0.99 1.85 0.29 5.04 2.01 -1.26 -4.93 115.64 119.63 3ddm s THR 371 Ca -0.05 -1.51 -0.29 0.00 0.31 0.00 0.00 61.69 60.15 3ddm s THR 371 Cb -0.05 -2.08 -0.13 0.00 0.01 0.00 0.00 72.50 70.25 3ddm s THR 371 CO -0.09 -0.13 1.29 -0.81 -0.69 0.00 0.00 174.62 174.18 3ddm n PRO 372 N 4.54 1.95 -3.33 4.92 -0.04 -1.26 -4.92 135.00 136.85 3ddm n PRO 372 Ca -0.11 0.69 -0.47 0.00 -0.04 0.00 0.00 63.50 63.57 3ddm n PRO 372 Cb 0.43 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 3ddm n PRO 372 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3ddm s ASP 373 N -0.12 6.58 0.20 3.54 -1.08 -1.26 -4.95 116.67 119.59 3ddm s ASP 373 Ca 0.61 -2.44 -0.10 0.00 -0.52 0.00 0.00 52.55 50.09 3ddm s ASP 373 Cb -0.63 -2.20 0.27 0.00 -1.46 0.00 0.00 42.92 38.90 3ddm s ASP 373 CO 0.57 -0.65 1.71 -0.07 0.52 0.00 0.00 175.17 177.25 3ddm h LEU 374 N 8.08 0.01 -0.30 -1.34 3.38 -1.99 -1.26 115.31 121.88 3ddm h LEU 374 Ca -0.01 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3ddm h LEU 374 Cb 1.06 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 3ddm h LEU 374 CO 0.83 0.02 -0.05 0.00 0.09 0.00 0.00 178.44 179.33 3ddm h ALA 375 N 1.46 0.22 0.00 1.53 0.00 -2.00 -1.61 119.26 118.86 3ddm h ALA 375 Ca 0.30 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3ddm h ALA 375 Cb 0.43 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3ddm h ALA 375 CO -0.38 -0.45 -0.19 0.00 0.00 0.00 0.00 179.25 178.23 3ddm h ALA 376 N 1.29 1.66 -0.14 0.00 0.00 -1.81 -2.14 119.26 118.12 3ddm h ALA 376 Ca 0.15 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3ddm h ALA 376 Cb 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ddm h ALA 376 CO -0.29 0.24 -0.70 -0.07 0.00 0.00 0.00 179.25 178.43 3ddm h LEU 377 N 0.00 0.86 -0.67 0.00 3.38 -0.33 -2.94 115.31 115.62 3ddm h LEU 377 Ca -0.00 -0.63 -0.07 0.00 0.09 0.00 0.00 57.88 57.27 3ddm h LEU 377 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ddm h LEU 377 CO 0.03 1.35 -0.33 0.08 0.09 0.00 0.00 178.44 179.66 3ddm h ARG 378 N 0.43 0.00 0.00 1.13 0.11 -1.27 -2.47 114.38 112.30 3ddm h ARG 378 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3ddm h ARG 378 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 3ddm h ARG 378 CO 0.15 0.33 0.00 0.00 0.10 0.00 0.00 179.97 180.55 3ddm h ALA 379 N 1.67 1.00 -0.19 0.08 0.00 -1.33 -1.83 119.26 118.65 3ddm h ALA 379 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ddm h ALA 379 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3ddm h ALA 379 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3ddm n ALA 380 N -1.83 2.45 0.23 0.00 0.00 -0.94 -5.08 120.51 115.34 3ddm n ALA 380 Ca 0.03 -0.81 0.03 0.00 0.00 0.00 0.00 53.44 52.69 3ddm n ALA 380 Cb 0.30 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.92 3ddm n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50