#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 6.34 -0.17 0.00 1.04 -1.26 -4.77 113.70 114.89 3ddm s SER 9 Ca 0.00 0.93 -0.08 0.00 0.48 0.00 0.00 55.95 57.28 3ddm s SER 9 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 3ddm s SER 9 CO 0.00 -0.48 0.09 -0.63 0.98 0.00 0.00 173.24 173.19 3ddm s ILE 10 N -2.57 5.04 -0.62 -1.02 1.01 0.06 -4.91 121.20 118.19 3ddm s ILE 10 Ca 0.47 0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.22 3ddm s ILE 10 Cb -0.10 -3.25 0.16 0.00 0.01 0.00 0.00 42.46 39.28 3ddm s ILE 10 CO 0.40 0.50 0.42 -0.89 0.00 0.00 0.00 174.94 175.36 3ddm s THR 11 N 0.01 2.39 0.22 2.92 2.01 -1.26 -0.77 115.64 121.16 3ddm s THR 11 Ca 0.07 -3.79 -0.32 0.00 0.31 0.00 0.00 61.69 57.96 3ddm s THR 11 Cb -0.12 -2.60 -0.13 0.00 0.01 0.00 0.00 72.50 69.67 3ddm s THR 11 CO 0.00 -1.00 1.52 -2.65 -0.69 0.00 0.00 174.62 171.81 3ddm n PRO 12 N 2.37 2.26 -0.02 4.92 -0.02 -1.26 -1.52 135.00 141.73 3ddm n PRO 12 Ca 0.18 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.44 3ddm n PRO 12 Cb 0.36 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 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 2.59 1.91 -3.73 3.55 0.00 -0.05 -4.22 120.51 120.55 3ddm n ALA 13 Ca 0.13 -0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 3ddm n ALA 13 Cb 0.32 0.32 -0.17 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.08 -0.01 -0.09 0.00 3.52 -1.04 -4.96 118.95 114.28 3ddm s ARG 14 Ca -0.04 0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 3ddm s ARG 14 Cb 0.01 -0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.05 3ddm s ARG 14 CO 0.11 -0.22 -0.14 0.08 -0.81 0.00 0.00 175.30 174.32 3ddm s VAL 15 N 1.46 1.37 0.09 7.11 1.01 -1.26 0.14 120.40 130.32 3ddm s VAL 15 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3ddm s VAL 15 Cb -0.13 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3ddm s VAL 15 CO -0.03 0.41 -0.07 -0.13 0.00 0.00 0.00 175.10 175.28 3ddm s ARG 16 N 0.88 0.78 -0.03 2.72 0.52 -0.07 -4.89 118.95 118.87 3ddm s ARG 16 Ca -0.09 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 53.96 3ddm s ARG 16 Cb -0.15 -0.27 -0.00 0.00 0.52 0.00 0.00 34.95 35.04 3ddm s ARG 16 CO 0.01 0.01 -0.14 0.00 0.02 0.00 0.00 175.30 175.19 3ddm s ALA 17 N -3.00 1.27 -0.09 2.13 0.00 -1.26 -0.59 121.76 120.20 3ddm s ALA 17 Ca 0.07 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3ddm s ALA 17 Cb 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3ddm s ALA 17 CO -0.03 0.25 -0.17 -1.01 0.00 0.00 0.00 175.76 174.80 3ddm s HIS 18 N -0.07 2.01 -0.15 0.00 0.09 0.16 -4.97 115.29 112.36 3ddm s HIS 18 Ca -0.00 -0.85 -0.07 0.00 -0.00 0.00 0.00 55.06 54.14 3ddm s HIS 18 Cb -0.09 -1.41 -0.04 0.00 -0.00 0.00 0.00 32.58 31.05 3ddm s HIS 18 CO 0.01 -0.40 0.08 0.08 -0.00 0.00 0.00 174.74 174.51 3ddm s VAL 19 N 0.68 4.96 0.04 -0.90 1.01 -1.26 -0.67 120.40 124.25 3ddm s VAL 19 Ca -0.13 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3ddm s VAL 19 Cb -0.16 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 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 -0.23 1.13 -0.18 5.22 0.40 0.73 -4.98 117.98 120.08 3ddm s PHE 20 Ca 0.09 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 56.02 3ddm s PHE 20 Cb -0.12 -0.68 0.07 0.00 0.51 0.00 0.00 43.02 42.80 3ddm s PHE 20 CO 0.01 0.02 0.11 1.03 0.70 0.00 0.00 175.22 177.09 3ddm s ARG 21 N -1.09 0.09 -0.28 0.44 0.52 -1.26 0.07 118.95 117.44 3ddm s ARG 21 Ca 0.01 -0.09 -0.15 0.00 -0.52 0.00 0.00 55.73 54.97 3ddm s ARG 21 Cb -0.08 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 3ddm s ARG 21 CO 0.01 -0.70 0.37 -0.47 0.02 0.00 0.00 175.30 174.53 3ddm s TYR 22 N 2.16 3.24 0.48 -0.53 5.04 -0.17 -4.85 117.35 122.71 3ddm s TYR 22 Ca 0.03 0.34 -0.22 0.00 -2.44 0.00 0.00 57.07 54.79 3ddm s TYR 22 Cb -0.16 -2.59 -0.07 0.00 0.35 0.00 0.00 41.96 39.49 3ddm s TYR 22 CO -0.12 -0.26 1.12 -2.14 -1.34 0.00 0.00 175.55 172.81 3ddm s PRO 23 N 2.06 3.70 0.00 4.97 0.02 -1.26 0.87 135.00 145.36 3ddm s PRO 23 Ca 0.14 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.81 3ddm s PRO 23 Cb -0.16 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3ddm s PRO 23 CO 0.10 -0.57 0.00 1.55 -0.33 0.00 0.00 177.00 177.75 3ddm n VAL 24 N -0.73 0.00 0.31 3.83 3.14 -1.26 -4.85 118.33 118.77 3ddm n VAL 24 Ca 0.08 0.20 0.19 0.00 -2.96 0.00 0.00 64.34 61.85 3ddm n VAL 24 Cb 0.50 -1.13 0.92 0.00 -1.06 0.00 0.00 33.84 33.07 3ddm n VAL 24 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 3ddm h HIS 36 N 0.00 0.00 0.00 1.45 -0.00 -2.00 -3.53 115.15 111.07 3ddm h HIS 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3ddm h HIS 36 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3ddm h HIS 36 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.93 177.53 3ddm n ASP 37 N -3.00 0.00 -4.58 2.45 5.75 -1.26 -5.04 116.55 110.87 3ddm n ASP 37 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.35 3ddm n ASP 37 Cb 0.18 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3ddm n ASP 37 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3ddm s ARG 38 N -1.73 3.70 0.47 0.11 1.81 0.25 -4.84 118.95 118.72 3ddm s ARG 38 Ca 0.00 0.16 -0.05 0.00 -1.72 0.00 0.00 55.73 54.12 3ddm s ARG 38 Cb 0.00 -3.82 -0.04 0.00 -0.45 0.00 0.00 34.95 30.65 3ddm s ARG 38 CO 0.00 -0.81 0.77 -1.25 -0.68 0.00 0.00 175.30 173.33 3ddm s PRO 39 N 2.92 3.55 -0.20 3.54 0.04 -1.26 -1.00 135.00 142.59 3ddm s PRO 39 Ca 0.28 0.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.31 3ddm s PRO 39 Cb -0.14 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 32.06 3ddm s PRO 39 CO 0.16 -0.18 0.56 0.00 0.04 0.00 0.00 177.00 177.58 3ddm s ALA 40 N -2.69 -1.38 -0.25 8.56 0.00 0.11 -4.74 121.76 121.37 3ddm s ALA 40 Ca 0.47 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.98 3ddm s ALA 40 Cb -0.10 -0.88 0.07 0.00 0.00 0.00 0.00 23.12 22.21 3ddm s ALA 40 CO 0.44 -0.27 -0.01 0.08 0.00 0.00 0.00 175.76 176.00 3ddm s VAL 41 N 0.23 1.39 -0.14 0.00 1.01 -1.26 -0.19 120.40 121.45 3ddm s VAL 41 Ca -0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 3ddm s VAL 41 Cb -0.04 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3ddm s VAL 41 CO 0.01 -0.24 0.06 -0.76 0.00 0.00 0.00 175.10 174.17 3ddm s LEU 42 N 1.43 3.88 0.03 3.92 1.43 0.15 -0.93 118.68 128.61 3ddm s LEU 42 Ca -0.02 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.37 3ddm s LEU 42 Cb -0.18 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3ddm s LEU 42 CO -0.09 0.30 -0.24 0.68 0.23 0.00 0.00 176.35 177.22 3ddm s VAL 43 N -0.37 2.28 -0.03 -1.59 -7.23 -0.11 0.36 120.40 113.70 3ddm s VAL 43 Ca 0.09 -1.30 0.04 0.00 -1.81 0.00 0.00 61.98 59.00 3ddm s VAL 43 Cb -0.12 -1.89 -0.00 0.00 0.56 0.00 0.00 36.38 34.93 3ddm s VAL 43 CO 0.02 0.40 -0.14 -1.83 -0.31 0.00 0.00 175.10 173.23 3ddm s GLU 44 N -1.18 1.45 -0.12 4.82 -1.05 0.24 -0.84 118.70 122.02 3ddm s GLU 44 Ca 0.12 -0.50 0.02 0.00 -0.15 0.00 0.00 54.97 54.46 3ddm s GLU 44 Cb -0.10 -1.30 -0.00 0.00 -0.44 0.00 0.00 34.13 32.29 3ddm s GLU 44 CO 0.02 0.21 -0.20 0.08 0.95 0.00 0.00 175.26 176.32 3ddm s VAL 45 N 0.04 2.34 -0.15 1.83 1.01 -0.32 -0.89 120.40 124.27 3ddm s VAL 45 Ca -0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3ddm s VAL 45 Cb -0.10 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3ddm s VAL 45 CO 0.01 0.54 -0.10 -0.70 0.00 0.00 0.00 175.10 174.86 3ddm s GLU 46 N 0.53 3.43 0.97 2.72 2.12 0.12 -1.58 118.70 127.01 3ddm s GLU 46 Ca -0.13 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.42 3ddm s GLU 46 Cb -0.17 -2.74 0.17 0.00 0.26 0.00 0.00 34.13 31.65 3ddm s GLU 46 CO 0.05 0.14 1.14 0.34 -0.54 0.00 0.00 175.26 176.39 3ddm s ASP 47 N 0.56 2.94 0.30 -1.70 2.15 0.54 -0.88 116.67 120.58 3ddm s ASP 47 Ca -0.07 0.91 0.15 0.00 0.43 0.00 0.00 52.55 53.97 3ddm s ASP 47 Cb -0.15 -1.42 0.37 0.00 -0.30 0.00 0.00 42.92 41.42 3ddm s ASP 47 CO 0.03 -2.90 1.59 0.77 -0.17 0.00 0.00 175.17 174.49 3ddm h SER 48 N -1.74 0.00 0.42 -0.34 4.64 -1.59 -2.96 113.55 111.98 3ddm h SER 48 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3ddm h SER 48 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3ddm h SER 48 CO 0.56 0.54 -0.03 -0.90 -0.87 0.00 0.00 176.83 176.12 3ddm n ASP 49 N -3.51 0.14 0.00 4.97 5.68 -1.26 -4.92 116.55 117.66 3ddm n ASP 49 Ca 0.00 -0.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 3ddm n ASP 49 Cb 0.63 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 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 1.24 2.30 3.74 6.12 0.00 -1.12 -5.09 105.19 112.39 3ddm n GLY 50 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3ddm n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm s ALA 51 N -2.44 2.35 0.04 4.61 0.00 -1.26 -4.70 121.76 120.36 3ddm s ALA 51 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3ddm s ALA 51 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3ddm s ALA 51 CO 0.00 -1.48 -0.09 0.08 0.00 0.00 0.00 175.76 174.27 3ddm s VAL 52 N -1.87 0.70 0.03 0.00 1.01 -1.26 -0.34 120.40 118.68 3ddm s VAL 52 Ca 0.75 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3ddm s VAL 52 Cb -0.28 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3ddm s VAL 52 CO 0.39 -0.20 -0.09 -0.83 0.00 0.00 0.00 175.10 174.38 3ddm s GLY 53 N -1.25 0.52 0.21 4.51 0.00 -0.61 -4.35 107.32 106.34 3ddm s GLY 53 Ca -0.05 -0.68 0.11 0.00 0.00 0.00 0.00 44.72 44.10 3ddm s GLY 53 CO 0.01 -0.71 -0.21 -0.98 0.00 0.00 0.00 173.10 171.21 3ddm s TRP 54 N -1.06 2.35 0.35 1.90 0.52 -1.25 -1.17 118.94 120.58 3ddm s TRP 54 Ca -0.06 -0.33 -0.09 0.00 0.02 0.00 0.00 56.10 55.64 3ddm s TRP 54 Cb -0.08 -1.14 0.02 0.00 -1.15 0.00 0.00 33.47 31.12 3ddm s TRP 54 CO 0.01 0.54 0.60 0.20 0.02 0.00 0.00 176.95 178.31 3ddm s GLY 55 N -2.85 0.93 -0.00 0.98 0.00 -0.02 -3.04 107.32 103.32 3ddm s GLY 55 Ca 0.23 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3ddm s GLY 55 CO 0.12 -0.68 -0.03 1.85 0.00 0.00 0.00 173.10 174.36 3ddm s GLU 56 N -2.92 0.28 -0.24 2.90 2.12 -1.26 -0.93 118.70 118.65 3ddm s GLU 56 Ca 0.23 -0.11 -0.08 0.00 0.36 0.00 0.00 54.97 55.38 3ddm s GLU 56 Cb -0.02 -0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.06 3ddm s GLU 56 CO 0.15 0.06 0.08 0.08 -0.54 0.00 0.00 175.26 175.10 3ddm s VAL 57 N -0.02 4.50 0.27 3.70 1.01 -0.10 -3.93 120.40 125.83 3ddm s VAL 57 Ca 0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 3ddm s VAL 57 Cb -0.02 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 33.14 3ddm s VAL 57 CO -0.00 0.35 1.50 1.87 0.00 0.00 0.00 175.10 178.82 3ddm n TRP 58 N 4.68 2.51 -2.49 5.22 -0.00 -0.72 -4.17 117.44 122.48 3ddm n TRP 58 Ca -0.16 0.34 -0.03 0.00 -0.00 0.00 0.00 57.50 57.65 3ddm n TRP 58 Cb 0.52 -2.53 0.07 0.00 -0.00 0.00 0.00 31.31 29.36 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 0.81 0.00 -4.69 0.00 2.35 -1.90 -3.42 115.58 108.72 3ddm h ASN 60 Ca -0.46 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.13 3ddm h ASN 60 Cb 1.34 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.49 3ddm h ASN 60 CO -0.19 0.20 -0.50 -0.36 -1.65 0.00 0.00 177.43 174.93 3ddm s PHE 61 N -4.20 -0.01 1.31 1.19 0.40 -1.26 -4.33 117.98 111.08 3ddm s PHE 61 Ca -0.03 -0.00 -0.22 0.00 -0.60 0.00 0.00 56.93 56.09 3ddm s PHE 61 Cb 0.13 -0.02 0.33 0.00 0.51 0.00 0.00 43.02 43.97 3ddm s PHE 61 CO 0.64 -0.24 1.05 -2.14 0.70 0.00 0.00 175.22 175.24 3ddm s PRO 62 N -1.03 -2.05 0.00 0.24 0.02 -1.26 -4.82 135.00 126.10 3ddm s PRO 62 Ca -0.11 -0.10 0.03 0.00 0.02 0.00 0.00 61.00 60.84 3ddm s PRO 62 Cb -0.06 -1.50 0.19 0.00 0.02 0.00 0.00 34.50 33.15 3ddm s PRO 62 CO 0.01 -4.25 0.93 0.00 -0.33 0.00 0.00 177.00 173.36 3ddm n ALA 63 N -5.14 2.32 -0.44 -1.55 0.00 -1.26 -3.24 120.51 111.19 3ddm n ALA 63 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ddm n ALA 63 Cb 0.60 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3ddm n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ddm n GLY 65 N 0.10 -0.86 0.25 0.00 0.00 -1.20 -4.01 105.19 99.47 3ddm n GLY 65 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 3.45 0.74 -0.67 4.61 0.00 -1.82 -2.30 119.26 123.27 3ddm h ALA 66 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ddm h ALA 66 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ddm h ALA 66 CO 0.00 0.26 0.22 0.93 0.00 0.00 0.00 179.25 180.67 3ddm h GLU 67 N 0.78 1.04 -0.68 0.00 3.07 -1.97 -2.57 114.58 114.24 3ddm h GLU 67 Ca 0.20 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3ddm h GLU 67 Cb 0.05 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 3ddm h GLU 67 CO -0.03 0.89 0.35 1.25 -1.40 0.00 0.00 179.01 180.07 3ddm h HIS 68 N 0.98 0.96 -0.48 4.33 2.76 -1.74 -0.80 115.15 121.15 3ddm h HIS 68 Ca 0.22 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 3ddm h HIS 68 Cb 0.28 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3ddm h HIS 68 CO 0.02 0.70 0.10 0.00 -1.30 0.00 0.00 177.93 177.45 3ddm h ARG 69 N 0.94 0.78 -0.58 5.26 3.08 -1.32 0.08 114.38 122.63 3ddm h ARG 69 Ca 0.24 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3ddm h ARG 69 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3ddm h ARG 69 CO -0.03 0.78 0.15 0.00 -1.07 0.00 0.00 179.97 179.80 3ddm h ALA 70 N 0.97 1.18 -0.43 0.04 0.00 -1.22 -1.52 119.26 118.29 3ddm h ALA 70 Ca 0.15 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3ddm h ALA 70 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ddm h ALA 70 CO 0.01 0.56 -0.23 0.00 0.00 0.00 0.00 179.25 179.58 3ddm h ARG 71 N 0.85 0.92 -0.72 0.00 2.47 -0.84 -1.88 114.38 115.19 3ddm h ARG 71 Ca 0.19 -0.41 0.03 0.00 -1.26 0.00 0.00 59.98 58.52 3ddm h ARG 71 Cb 0.29 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 3ddm h ARG 71 CO -0.00 1.07 0.45 -0.07 0.56 0.00 0.00 179.97 181.98 3ddm h LEU 72 N 0.75 0.75 -0.65 3.04 3.38 -0.58 0.28 115.31 122.28 3ddm h LEU 72 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ddm h LEU 72 Cb 0.81 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3ddm h LEU 72 CO 0.07 0.52 0.42 0.58 0.09 0.00 0.00 178.44 180.13 3ddm h VAL 73 N 0.89 1.17 0.19 1.22 2.07 -1.10 -1.11 116.25 119.58 3ddm h VAL 73 Ca 0.28 -0.34 -0.32 0.00 0.82 0.00 0.00 66.70 67.14 3ddm h VAL 73 Cb 0.00 0.23 0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3ddm h VAL 73 CO -0.10 0.17 -1.53 -0.33 0.02 0.00 0.00 177.57 175.80 3ddm h GLU 74 N 0.89 0.39 0.00 1.57 5.08 -0.71 -0.93 114.58 120.88 3ddm h GLU 74 Ca 0.24 -0.67 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 3ddm h GLU 74 Cb -0.08 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3ddm h GLU 74 CO -0.05 1.30 -1.45 0.25 -1.00 0.00 0.00 179.01 178.05 3ddm n THR 75 N -3.59 0.66 -0.05 1.13 -2.24 0.92 -4.38 114.28 106.73 3ddm n THR 75 Ca -0.17 -0.59 -0.09 0.00 -2.27 0.00 0.00 64.05 60.93 3ddm n THR 75 Cb 1.07 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.63 1.29 -0.03 2.28 0.31 -0.47 -4.71 118.33 114.37 3ddm n VAL 76 Ca -0.06 0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.26 3ddm n VAL 76 Cb 0.67 -1.98 -0.11 0.00 -0.91 0.00 0.00 33.84 31.51 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 -0.61 0.16 -0.54 7.52 3.38 -1.51 -3.34 115.31 120.37 3ddm h LEU 77 Ca -0.10 -0.72 0.11 0.00 0.09 0.00 0.00 57.88 57.26 3ddm h LEU 77 Cb 0.79 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 3ddm h LEU 77 CO -0.06 0.85 -0.14 0.00 0.09 0.00 0.00 178.44 179.18 3ddm h ALA 78 N 0.31 0.35 -0.11 1.53 0.00 -1.36 0.93 119.26 120.90 3ddm h ALA 78 Ca -0.01 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3ddm h ALA 78 Cb 0.86 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ddm h ALA 78 CO 0.03 -0.44 0.09 -1.00 0.00 0.00 0.00 179.25 177.94 3ddm h PRO 79 N -0.00 0.00 0.00 0.00 0.13 -1.77 -0.19 132.00 130.17 3ddm h PRO 79 Ca 0.26 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.20 3ddm h PRO 79 Cb 0.40 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 3ddm h PRO 79 CO -0.56 0.00 -0.90 -0.07 -0.23 0.00 0.00 178.00 176.24 3ddm h LEU 80 N 0.00 0.00 0.02 1.56 3.38 -0.98 -3.27 115.31 116.03 3ddm h LEU 80 Ca 0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 3ddm h LEU 80 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ddm h LEU 80 CO -0.00 0.90 -1.05 -0.07 0.09 0.00 0.00 178.44 178.31 3ddm h LEU 81 N 0.00 0.08 -2.60 1.67 4.07 -0.10 -3.31 115.31 115.12 3ddm h LEU 81 Ca -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.86 3ddm h LEU 81 Cb 1.62 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.34 3ddm h LEU 81 CO 0.12 1.07 0.00 0.35 -1.08 0.00 0.00 178.44 178.90 3ddm n THR 82 N -3.39 1.37 1.02 0.22 -2.24 -0.50 -4.07 114.28 106.68 3ddm n THR 82 Ca -0.02 -0.96 0.12 0.00 -2.27 0.00 0.00 64.05 60.92 3ddm n THR 82 Cb 0.96 0.15 0.07 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.04 2.99 -3.24 6.98 0.00 -1.23 -4.92 120.51 122.13 3ddm n ALA 83 Ca 0.22 -0.66 0.02 0.00 0.00 0.00 0.00 53.44 53.02 3ddm n ALA 83 Cb 0.71 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.35 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 0.64 0.18 -3.73 0.00 1.85 -1.26 -5.13 116.66 109.22 3ddm n ARG 84 Ca 0.12 -0.41 -0.25 0.00 -1.00 0.00 0.00 57.85 56.31 3ddm n ARG 84 Cb 0.53 0.55 0.00 0.00 -1.05 0.00 0.00 32.46 32.49 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 -1.28 4.43 -0.10 2.89 0.00 -1.26 -4.36 121.76 122.07 3ddm s ALA 85 Ca 0.06 -1.47 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 3ddm s ALA 85 Cb -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.28 3ddm s ALA 85 CO 0.02 -0.49 0.26 -0.06 0.00 0.00 0.00 175.76 175.49 3ddm s PHE 86 N -2.72 -0.32 0.25 0.00 0.40 0.05 -4.97 117.98 110.66 3ddm s PHE 86 Ca 0.40 0.76 -0.03 0.00 -0.60 0.00 0.00 56.93 57.45 3ddm s PHE 86 Cb -0.03 0.08 0.47 0.00 0.51 0.00 0.00 43.02 44.05 3ddm s PHE 86 CO 0.25 -0.19 1.75 0.00 0.70 0.00 0.00 175.22 177.73 3ddm h ALA 87 N 6.41 1.12 -2.50 5.36 0.00 -1.92 0.21 119.26 127.94 3ddm h ALA 87 Ca -0.32 0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ddm h ALA 87 Cb 1.18 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3ddm h ALA 87 CO 0.36 -0.15 0.48 0.16 0.00 0.00 0.00 179.25 180.10 3ddm s ASP 88 N -5.39 -0.11 0.20 0.00 1.47 -1.26 -4.27 116.67 107.30 3ddm s ASP 88 Ca -0.12 -0.57 -0.16 0.00 1.18 0.00 0.00 52.55 52.88 3ddm s ASP 88 Cb 0.21 0.54 0.19 0.00 -0.34 0.00 0.00 42.92 43.52 3ddm s ASP 88 CO 0.77 -1.04 1.62 -0.65 0.68 0.00 0.00 175.17 176.55 3ddm h PRO 89 N 2.00 -0.06 -0.85 2.11 0.11 -1.88 -1.75 132.00 131.68 3ddm h PRO 89 Ca -0.26 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.04 3ddm h PRO 89 Cb 1.23 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 3ddm h PRO 89 CO 0.30 -0.04 0.39 0.00 -0.21 0.00 0.00 178.00 178.44 3ddm h ALA 90 N 1.41 1.31 -0.36 -0.75 0.00 -1.96 0.14 119.26 119.05 3ddm h ALA 90 Ca 0.27 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 3ddm h ALA 90 Cb 0.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ddm h ALA 90 CO -0.62 -0.22 -0.04 0.37 0.00 0.00 0.00 179.25 178.74 3ddm h GLN 91 N 0.49 0.58 -0.16 0.00 4.15 -1.73 -1.81 115.11 116.63 3ddm h GLN 91 Ca 0.50 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.63 3ddm h GLN 91 Cb 0.83 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 3ddm h GLN 91 CO -0.45 0.63 -0.53 0.00 -1.93 0.00 0.00 178.83 176.56 3ddm h ALA 92 N 1.42 0.80 -0.03 3.38 0.00 -0.59 -2.02 119.26 122.21 3ddm h ALA 92 Ca 0.11 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3ddm h ALA 92 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ddm h ALA 92 CO 0.02 0.68 0.02 0.35 0.00 0.00 0.00 179.25 180.32 3ddm h PHE 93 N 0.35 0.05 -0.56 0.00 3.57 -0.54 -0.70 116.94 119.11 3ddm h PHE 93 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3ddm h PHE 93 Cb 1.04 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3ddm h PHE 93 CO 0.04 0.09 0.32 0.00 -2.23 0.00 0.00 178.31 176.53 3ddm h ALA 94 N 0.95 0.71 -0.55 2.41 0.00 -1.30 -0.76 119.26 120.71 3ddm h ALA 94 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ddm h ALA 94 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3ddm h ALA 94 CO -0.00 0.22 0.36 1.25 0.00 0.00 0.00 179.25 181.07 3ddm h HIS 95 N 0.75 0.70 -0.52 0.00 -0.00 -1.17 0.57 115.15 115.48 3ddm h HIS 95 Ca 0.20 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.49 3ddm h HIS 95 Cb 0.02 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.18 3ddm h HIS 95 CO -0.02 0.45 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.25 3ddm h LEU 96 N 0.75 0.89 -0.07 0.26 3.38 -0.80 -0.26 115.31 119.45 3ddm h LEU 96 Ca 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ddm h LEU 96 Cb -0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3ddm h LEU 96 CO -0.04 0.98 -0.01 -0.33 0.09 0.00 0.00 178.44 179.13 3ddm h GLU 97 N 0.83 0.14 -0.30 1.13 5.08 -0.66 -2.74 114.58 118.05 3ddm h GLU 97 Ca 0.15 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3ddm h GLU 97 Cb 0.56 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3ddm h GLU 97 CO 0.03 0.43 0.16 0.00 -1.00 0.00 0.00 179.01 178.64 3ddm h ALA 98 N 0.70 0.37 0.00 3.43 0.00 -0.79 -1.47 119.26 121.50 3ddm h ALA 98 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ddm h ALA 98 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ddm h ALA 98 CO 0.01 -0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.58 3ddm n ARG 99 N -4.94 0.48 0.00 0.00 5.12 -0.12 -3.17 116.66 114.03 3ddm n ARG 99 Ca -0.01 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 3ddm n ARG 99 Cb 0.06 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 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 -1.15 0.00 0.03 0.55 -2.24 -1.01 -4.79 114.28 105.67 3ddm n THR 100 Ca 0.13 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3ddm n THR 100 Cb 0.12 1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.87 -0.85 6.98 0.00 -1.23 0.44 119.26 123.73 3ddm h ALA 101 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3ddm h ALA 101 Cb 0.15 0.92 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3ddm h ALA 101 CO 0.00 -1.02 0.52 0.28 0.00 0.00 0.00 179.25 179.03 3ddm h VAL 102 N -0.55 1.01 -0.92 0.00 2.07 -1.88 -1.46 116.25 114.53 3ddm h VAL 102 Ca 0.02 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3ddm h VAL 102 Cb 0.61 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3ddm h VAL 102 CO -0.33 0.17 0.59 0.25 0.02 0.00 0.00 177.57 178.27 3ddm h LEU 103 N 0.93 0.98 -1.55 2.57 5.85 -1.69 -1.11 115.31 121.29 3ddm h LEU 103 Ca 0.38 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.12 3ddm h LEU 103 Cb 0.21 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ddm h LEU 103 CO -0.19 0.66 0.34 0.00 -0.34 0.00 0.00 178.44 178.91 3ddm h ALA 104 N 1.39 1.74 -0.05 1.25 0.00 0.16 -0.50 119.26 123.25 3ddm h ALA 104 Ca 0.37 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 3ddm h ALA 104 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ddm h ALA 104 CO -0.13 0.21 -0.32 0.82 0.00 0.00 0.00 179.25 179.82 3ddm h ILE 105 N 0.59 1.45 -0.69 0.00 2.04 -0.96 0.66 117.51 120.60 3ddm h ILE 105 Ca 0.20 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3ddm h ILE 105 Cb 0.07 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3ddm h ILE 105 CO -0.05 0.51 0.44 1.56 0.00 0.00 0.00 178.15 180.61 3ddm h GLN 106 N -0.23 0.92 0.00 2.37 1.08 -0.90 -3.17 115.11 115.17 3ddm h GLN 106 Ca -0.03 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 3ddm h GLN 106 Cb 1.00 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 3ddm h GLN 106 CO 0.07 0.62 -1.14 0.25 -0.95 0.00 0.00 178.83 177.68 3ddm n THR 107 N -4.59 0.81 -2.09 -0.54 -2.24 -0.23 -4.97 114.28 100.44 3ddm n THR 107 Ca 0.06 -0.60 -0.07 0.00 -2.27 0.00 0.00 64.05 61.17 3ddm n THR 107 Cb 0.03 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 67.78 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 1.25 0.12 2.67 3.38 0.00 0.20 -4.96 105.19 107.85 3ddm n GLY 108 Ca -0.03 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.79 3.43 -0.33 1.61 1.02 -1.05 -4.82 120.64 118.71 3ddm n GLU 109 Ca -0.09 -4.47 0.02 0.00 -0.02 0.00 0.00 57.16 52.60 3ddm n GLU 109 Cb 0.55 -2.27 0.16 0.00 -0.02 0.00 0.00 31.44 29.86 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 2.86 1.00 0.79 3.49 0.13 -1.93 -2.83 132.00 135.51 3ddm h PRO 110 Ca 0.31 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.34 3ddm h PRO 110 Cb 0.64 -0.22 0.01 0.00 0.13 0.00 0.00 31.00 31.55 3ddm h PRO 110 CO 0.95 0.66 -0.38 0.78 -0.23 0.00 0.00 178.00 179.78 3ddm h GLY 111 N 1.03 -1.11 0.25 1.56 0.00 -1.96 -0.22 103.07 102.61 3ddm h GLY 111 Ca 0.40 0.41 0.19 0.00 0.00 0.00 0.00 47.33 48.33 3ddm h GLY 111 CO -0.18 -0.40 0.61 -2.55 0.00 0.00 0.00 176.54 174.01 3ddm h PRO 112 N -1.26 0.59 -0.10 4.80 0.11 -1.95 0.23 132.00 134.42 3ddm h PRO 112 Ca -0.11 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 3ddm h PRO 112 Cb 0.82 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3ddm h PRO 112 CO 0.18 0.39 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.04 3ddm h LEU 113 N 0.61 0.39 -0.56 2.35 3.38 -1.50 -1.84 115.31 118.13 3ddm h LEU 113 Ca 0.52 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ddm h LEU 113 Cb 1.00 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3ddm h LEU 113 CO -0.27 0.91 0.33 0.00 0.09 0.00 0.00 178.44 179.50 3ddm h ALA 114 N 0.49 0.73 -0.75 1.53 0.00 0.18 0.31 119.26 121.75 3ddm h ALA 114 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ddm h ALA 114 Cb 0.86 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3ddm h ALA 114 CO 0.05 0.03 0.32 1.96 0.00 0.00 0.00 179.25 181.62 3ddm h GLN 115 N 0.64 1.11 -0.15 0.00 4.20 -0.45 0.13 115.11 120.59 3ddm h GLN 115 Ca 0.23 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 3ddm h GLN 115 Cb 0.06 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3ddm h GLN 115 CO -0.12 0.89 -0.54 0.00 -0.67 0.00 0.00 178.83 178.39 3ddm h ALA 116 N 1.16 0.78 -0.21 3.87 0.00 -0.86 -1.67 119.26 122.34 3ddm h ALA 116 Ca 0.25 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3ddm h ALA 116 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ddm h ALA 116 CO -0.02 0.69 -0.29 0.82 0.00 0.00 0.00 179.25 180.45 3ddm h ILE 117 N 0.35 1.33 -0.33 0.00 2.04 -0.63 -1.98 117.51 118.28 3ddm h ILE 117 Ca 0.01 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.41 3ddm h ILE 117 Cb 1.06 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 3ddm h ILE 117 CO 0.10 0.46 0.13 0.00 0.00 0.00 0.00 178.15 178.83 3ddm h ALA 118 N 0.63 0.38 -0.56 1.87 0.00 -0.69 -0.06 119.26 120.83 3ddm h ALA 118 Ca 0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3ddm h ALA 118 Cb 0.86 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3ddm h ALA 118 CO 0.07 -0.27 0.23 0.78 0.00 0.00 0.00 179.25 180.06 3ddm h GLY 119 N 0.28 0.77 2.00 0.00 0.00 -1.24 -1.00 103.07 103.88 3ddm h GLY 119 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 3ddm h GLY 119 CO -0.13 0.03 -0.31 1.41 0.00 0.00 0.00 176.54 177.53 3ddm h LEU 120 N 0.43 0.00 -0.51 3.11 3.38 -0.57 -2.67 115.31 118.48 3ddm h LEU 120 Ca 0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 3ddm h LEU 120 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ddm h LEU 120 CO -0.25 0.31 -0.65 -0.78 0.09 0.00 0.00 178.44 177.15 3ddm h ASP 121 N 0.00 0.43 -0.41 -0.43 1.82 0.23 -1.46 116.42 116.60 3ddm h ASP 121 Ca -0.00 -0.26 -0.06 0.00 -0.39 0.00 0.00 57.03 56.32 3ddm h ASP 121 Cb 0.62 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 3ddm h ASP 121 CO 0.04 0.97 0.04 0.40 -1.61 0.00 0.00 179.24 179.08 3ddm h ILE 122 N 0.27 1.25 -0.54 2.25 2.04 -1.08 -1.75 117.51 119.95 3ddm h ILE 122 Ca -0.01 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3ddm h ILE 122 Cb 1.20 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3ddm h ILE 122 CO 0.11 0.32 0.27 0.00 0.00 0.00 0.00 178.15 178.85 3ddm h ALA 123 N 0.91 0.69 -0.34 1.87 0.00 -1.34 0.48 119.26 121.54 3ddm h ALA 123 Ca 0.12 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3ddm h ALA 123 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ddm h ALA 123 CO 0.01 0.25 -0.30 -0.07 0.00 0.00 0.00 179.25 179.14 3ddm h LEU 124 N 0.72 0.75 -0.64 0.00 3.38 -1.19 0.14 115.31 118.48 3ddm h LEU 124 Ca 0.19 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3ddm h LEU 124 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ddm h LEU 124 CO -0.02 1.00 -0.30 0.00 0.09 0.00 0.00 178.44 179.20 3ddm h ASP 126 N 0.62 0.50 -0.55 0.00 3.58 -0.56 0.27 116.42 120.28 3ddm h ASP 126 Ca 0.07 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 3ddm h ASP 126 Cb 0.83 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.72 3ddm h ASP 126 CO 0.07 0.51 0.27 0.25 -2.88 0.00 0.00 179.24 177.46 3ddm h LEU 127 N 0.46 0.71 -0.33 2.28 5.85 -0.25 0.13 115.31 124.15 3ddm h LEU 127 Ca 0.13 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ddm h LEU 127 Cb 0.15 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3ddm h LEU 127 CO -0.01 0.63 0.15 0.00 -0.34 0.00 0.00 178.44 178.87 3ddm h ALA 128 N 1.11 0.42 -0.48 1.25 0.00 -0.32 -0.38 119.26 120.86 3ddm h ALA 128 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3ddm h ALA 128 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ddm h ALA 128 CO -0.03 -0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.11 3ddm h ALA 129 N 1.00 0.66 -0.81 0.00 0.00 -0.74 0.04 119.26 119.41 3ddm h ALA 129 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ddm h ALA 129 Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3ddm h ALA 129 CO -0.01 0.57 0.37 0.00 0.00 0.00 0.00 179.25 180.18 3ddm h ARG 130 N 0.78 1.18 -0.65 0.00 3.08 -0.62 0.53 114.38 118.68 3ddm h ARG 130 Ca 0.12 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3ddm h ARG 130 Cb 0.67 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3ddm h ARG 130 CO 0.05 0.92 0.17 -0.09 -1.07 0.00 0.00 179.97 179.95 3ddm h ARG 131 N 1.17 1.01 0.00 0.04 9.65 -0.68 -2.59 114.38 122.98 3ddm h ARG 131 Ca 0.28 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3ddm h ARG 131 Cb 0.15 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3ddm h ARG 131 CO -0.03 0.89 -0.14 0.00 2.80 0.00 0.00 179.97 183.49 3ddm n ALA 132 N -2.46 2.65 -1.79 2.80 0.00 -0.03 -4.94 120.51 116.75 3ddm n ALA 132 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 3ddm n ALA 132 Cb 0.24 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.50 0.35 3.17 0.00 0.00 0.10 -5.05 105.19 105.25 3ddm n GLY 133 Ca 0.07 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.63 1.39 0.63 1.61 -0.21 -0.75 -4.74 119.66 113.96 3ddm s GLN 134 Ca 0.00 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.56 3ddm s GLN 134 Cb 0.00 -1.35 -0.02 0.00 1.00 0.00 0.00 33.01 32.64 3ddm s GLN 134 CO 0.00 0.37 1.20 -1.25 -2.12 0.00 0.00 175.29 173.48 3ddm s PRO 135 N -0.48 2.77 0.24 2.91 0.04 -1.24 -1.14 135.00 138.10 3ddm s PRO 135 Ca 0.07 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 3ddm s PRO 135 Cb -0.07 -1.91 0.45 0.00 0.04 0.00 0.00 34.50 33.01 3ddm s PRO 135 CO -0.00 -1.35 1.72 -0.07 0.04 0.00 0.00 177.00 177.34 3ddm h LEU 136 N 0.52 0.24 -1.86 -3.56 -0.00 -1.36 -1.58 115.31 107.72 3ddm h LEU 136 Ca -0.49 0.11 0.15 0.00 -0.00 0.00 0.00 57.88 57.65 3ddm h LEU 136 Cb 1.29 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 42.02 3ddm h LEU 136 CO 0.54 0.09 0.41 4.11 -0.00 0.00 0.00 178.44 183.59 3ddm h TRP 137 N 0.42 0.16 0.05 1.13 5.08 -1.85 0.83 115.95 121.76 3ddm h TRP 137 Ca 0.41 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.27 3ddm h TRP 137 Cb 0.63 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.74 3ddm h TRP 137 CO -0.18 0.06 -0.55 0.00 -1.28 0.00 0.00 178.44 176.49 3ddm h ALA 138 N 1.71 0.03 -0.97 0.11 0.00 -1.53 0.28 119.26 118.89 3ddm h ALA 138 Ca 0.28 -0.72 0.24 0.00 0.00 0.00 0.00 54.91 54.72 3ddm h ALA 138 Cb 0.93 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3ddm h ALA 138 CO -0.04 0.29 0.64 2.35 0.00 0.00 0.00 179.25 182.50 3ddm h TRP 139 N -0.75 0.53 0.00 0.00 7.01 -0.80 0.58 115.95 122.52 3ddm h TRP 139 Ca -0.12 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.90 3ddm h TRP 139 Cb 1.30 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 3ddm h TRP 139 CO 0.22 0.10 0.00 1.28 -2.79 0.00 0.00 178.44 177.24 3ddm n LEU 140 N -4.52 0.00 0.00 0.65 4.77 0.23 -4.90 117.00 113.23 3ddm n LEU 140 Ca 0.22 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3ddm n LEU 140 Cb 0.81 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3ddm n LEU 140 CO 0.30 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3ddm n GLY 141 N 1.26 0.67 3.77 -0.72 0.00 0.20 -5.02 105.19 105.36 3ddm n GLY 141 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.87 1.62 0.00 -0.02 0.00 0.99 -4.98 107.32 104.05 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 0.30 0.27 -1.14 0.00 0.00 0.00 173.10 172.53 3ddm n SER 143 N -3.62 0.54 -4.15 1.64 3.41 -1.26 -4.48 113.62 105.70 3ddm n SER 143 Ca 0.07 -0.78 -0.10 0.00 -0.26 0.00 0.00 58.87 57.81 3ddm n SER 143 Cb 0.56 0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.38 0.97 -0.02 5.00 0.00 -1.26 -5.07 107.32 106.57 3ddm s GLY 144 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.28 3ddm s GLY 144 CO 0.00 -1.36 0.85 2.09 0.00 0.00 0.00 173.10 174.68 3ddm n ASP 145 N -0.09 1.20 -4.46 1.64 5.75 -1.26 -4.73 116.55 114.61 3ddm n ASP 145 Ca -0.06 -1.80 -0.36 0.00 -0.01 0.00 0.00 54.79 52.57 3ddm n ASP 145 Cb 0.64 -0.07 -0.12 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 -0.81 3.66 0.07 0.11 3.52 -1.26 -0.57 118.95 123.68 3ddm s ARG 146 Ca 0.04 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 3ddm s ARG 146 Cb 0.03 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 3ddm s ARG 146 CO 0.00 -0.07 -0.07 0.96 -0.81 0.00 0.00 175.30 175.31 3ddm s ILE 147 N 1.27 0.61 0.42 4.11 -4.36 -0.64 -4.99 121.20 117.62 3ddm s ILE 147 Ca 0.04 -1.58 -0.06 0.00 -0.26 0.00 0.00 60.65 58.80 3ddm s ILE 147 Cb -0.15 -1.23 -0.05 0.00 1.25 0.00 0.00 42.46 42.29 3ddm s ILE 147 CO 0.02 -0.68 0.72 -0.83 0.24 0.00 0.00 174.94 174.42 3ddm s GLY 148 N -2.43 1.65 0.27 6.27 0.00 -1.26 -0.66 107.32 111.15 3ddm s GLY 148 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.29 3ddm s GLY 148 CO -0.03 -0.33 0.18 -1.34 0.00 0.00 0.00 173.10 171.57 3ddm s VAL 149 N -2.50 0.12 -0.03 1.40 -7.23 -0.93 -1.91 120.40 109.33 3ddm s VAL 149 Ca 0.47 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 3ddm s VAL 149 Cb -0.10 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.34 3ddm s VAL 149 CO 0.38 0.00 0.19 -0.72 -0.31 0.00 0.00 175.10 174.64 3ddm s TYR 150 N -3.80 -0.08 -0.25 2.82 1.13 -0.35 -4.35 117.35 112.48 3ddm s TYR 150 Ca 0.38 0.15 -0.29 0.00 -1.41 0.00 0.00 57.07 55.91 3ddm s TYR 150 Cb 0.05 0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.92 3ddm s TYR 150 CO 0.18 -0.24 1.30 0.00 -2.51 0.00 0.00 175.55 174.28 3ddm s ALA 151 N -0.88 3.47 0.04 9.51 0.00 0.93 -0.77 121.76 134.06 3ddm s ALA 151 Ca -0.10 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.16 3ddm s ALA 151 Cb -0.05 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3ddm s ALA 151 CO 0.02 -1.55 -0.06 0.45 0.00 0.00 0.00 175.76 174.61 3ddm s SER 152 N 2.55 4.67 0.00 0.00 0.15 0.11 -0.28 113.70 120.89 3ddm s SER 152 Ca 0.56 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3ddm s SER 152 Cb -0.19 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 3ddm s SER 152 CO 0.20 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.49 3ddm n GLY 153 N 1.16 0.43 3.68 9.45 0.00 -1.09 -0.17 105.19 118.66 3ddm n GLY 153 Ca -0.14 -1.00 -0.46 0.00 0.00 0.00 0.00 46.02 44.41 3ddm n GLY 153 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ddm n ILE 154 N -3.03 0.25 -2.51 -0.61 5.41 -0.82 -4.80 119.36 113.24 3ddm n ILE 154 Ca 0.00 -0.04 -0.34 0.00 1.00 0.00 0.00 62.75 63.37 3ddm n ILE 154 Cb 0.06 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.23 3ddm n ILE 154 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3ddm s ASN 155 N 2.24 6.31 0.59 4.38 -0.87 -1.26 -1.65 114.94 124.67 3ddm s ASN 155 Ca 0.84 1.92 0.31 0.00 -1.57 0.00 0.00 52.86 54.36 3ddm s ASN 155 Cb -0.66 -2.56 1.82 0.00 -0.02 0.00 0.00 41.25 39.83 3ddm s ASN 155 CO 0.43 -0.81 2.24 1.55 -2.57 0.00 0.00 177.10 177.94 3ddm h PRO 156 N 1.48 0.00 0.00 -0.60 0.13 -1.92 -3.20 132.00 127.89 3ddm h PRO 156 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ddm h PRO 156 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3ddm h PRO 156 CO 0.59 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 3ddm n GLU 157 N -3.75 0.00 -3.43 0.86 4.71 -1.26 -4.43 120.64 113.34 3ddm n GLU 157 Ca -0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.78 3ddm n GLU 157 Cb 0.11 -0.63 -0.05 0.00 -1.01 0.00 0.00 31.44 29.85 3ddm n GLU 157 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3ddm n ASN 158 N -0.14 4.58 0.14 1.62 5.03 -1.26 -4.90 115.26 120.34 3ddm n ASN 158 Ca 0.00 -3.29 -0.13 0.00 0.87 0.00 0.00 54.58 52.02 3ddm n ASN 158 Cb 0.00 -0.99 -0.08 0.00 -1.02 0.00 0.00 39.78 37.69 3ddm n ASN 158 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3ddm h PRO 159 N 5.32 -0.35 -0.98 3.52 0.13 -1.76 -2.98 132.00 134.90 3ddm h PRO 159 Ca 0.18 0.02 0.28 0.00 -0.87 0.00 0.00 66.00 65.62 3ddm h PRO 159 Cb 0.72 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 3ddm h PRO 159 CO 0.96 -0.05 0.94 1.05 -0.23 0.00 0.00 178.00 180.67 3ddm h GLU 160 N -0.66 0.00 0.13 0.86 9.09 -1.90 0.16 114.58 122.25 3ddm h GLU 160 Ca -0.04 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.17 3ddm h GLU 160 Cb 0.46 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.57 3ddm h GLU 160 CO 0.06 0.00 -0.96 -0.44 0.05 0.00 0.00 179.01 177.72 3ddm h ASP 161 N 0.00 0.42 -0.19 3.06 3.32 -1.94 -2.99 116.42 118.10 3ddm h ASP 161 Ca 0.47 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ddm h ASP 161 Cb 2.33 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.74 3ddm h ASP 161 CO -0.00 1.44 0.12 0.58 -1.72 0.00 0.00 179.24 179.66 3ddm h VAL 162 N -0.39 1.05 -0.17 -1.35 2.07 -0.63 -1.88 116.25 114.95 3ddm h VAL 162 Ca -0.19 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3ddm h VAL 162 Cb 1.65 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 3ddm h VAL 162 CO 0.11 0.05 -0.54 0.58 0.02 0.00 0.00 177.57 177.79 3ddm h VAL 163 N 0.24 0.01 -0.71 2.57 2.07 -1.24 0.07 116.25 119.26 3ddm h VAL 163 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.74 3ddm h VAL 163 Cb -0.02 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.65 3ddm h VAL 163 CO -0.01 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.68 3ddm h ALA 164 N -0.24 0.84 -0.17 1.67 0.00 -1.35 0.45 119.26 120.47 3ddm h ALA 164 Ca 0.04 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3ddm h ALA 164 Cb 0.67 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3ddm h ALA 164 CO -0.46 -0.37 -0.01 0.00 0.00 0.00 0.00 179.25 178.40 3ddm h ARG 165 N 0.19 0.03 -0.47 0.00 3.08 -0.36 -2.14 114.38 114.73 3ddm h ARG 165 Ca 0.40 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.31 3ddm h ARG 165 Cb 0.68 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3ddm h ARG 165 CO -0.55 0.02 -0.22 0.87 -1.07 0.00 0.00 179.97 179.03 3ddm h LYS 166 N 0.04 0.96 -0.06 0.04 1.79 0.28 -1.85 116.57 117.77 3ddm h LYS 166 Ca 0.08 -0.41 0.02 0.00 -2.18 0.00 0.00 60.65 58.16 3ddm h LYS 166 Cb 0.10 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3ddm h LYS 166 CO -0.14 1.07 0.07 0.00 -1.08 0.00 0.00 179.45 179.37 3ddm h ALA 167 N 0.91 1.59 0.05 3.86 0.00 0.07 0.10 119.26 125.85 3ddm h ALA 167 Ca 0.11 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3ddm h ALA 167 Cb 0.79 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.60 3ddm h ALA 167 CO 0.07 -0.10 -0.82 0.00 0.00 0.00 0.00 179.25 178.40 3ddm h ALA 168 N 1.92 0.03 0.00 0.00 0.00 -0.69 -3.10 119.26 117.42 3ddm h ALA 168 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3ddm h ALA 168 Cb 0.16 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ddm h ALA 168 CO -0.00 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.63 3ddm h GLU 169 N -0.04 0.00 0.00 0.00 5.08 -0.37 -3.45 114.58 115.80 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 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 3ddm h GLU 169 CO 0.16 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 3ddm n GLY 170 N -0.64 0.96 3.77 -3.84 0.00 -0.46 -4.80 105.19 100.17 3ddm n GLY 170 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.65 2.82 -0.04 1.61 2.02 -0.33 -0.50 117.35 121.28 3ddm s TYR 171 Ca 0.00 1.52 0.06 0.00 -0.37 0.00 0.00 57.07 58.28 3ddm s TYR 171 Cb 0.00 -3.43 0.09 0.00 -0.40 0.00 0.00 41.96 38.22 3ddm s TYR 171 CO 0.00 -1.66 1.05 0.54 -1.57 0.00 0.00 175.55 173.90 3ddm n ARG 172 N -0.52 0.38 -3.68 -0.62 5.12 -1.26 -4.11 116.66 111.97 3ddm n ARG 172 Ca 0.07 -1.49 -0.11 0.00 -1.93 0.00 0.00 57.85 54.39 3ddm n ARG 172 Cb 0.48 -0.79 -0.09 0.00 -1.16 0.00 0.00 32.46 30.90 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 -0.85 -1.36 0.02 7.54 0.00 -1.26 -4.06 121.76 121.79 3ddm s ALA 173 Ca 0.10 1.69 0.01 0.00 0.00 0.00 0.00 51.96 53.77 3ddm s ALA 173 Cb 0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3ddm s ALA 173 CO 0.01 -0.28 -0.06 -0.06 0.00 0.00 0.00 175.76 175.37 3ddm s PHE 174 N 0.83 0.48 -0.18 0.00 0.08 -0.95 -0.05 117.98 118.19 3ddm s PHE 174 Ca -0.04 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3ddm s PHE 174 Cb -0.05 -0.30 0.03 0.00 -0.57 0.00 0.00 43.02 42.13 3ddm s PHE 174 CO -0.07 -0.08 -0.12 0.21 -0.10 0.00 0.00 175.22 175.07 3ddm s LYS 175 N -1.05 2.14 0.22 0.44 2.20 0.61 -0.08 119.74 124.22 3ddm s LYS 175 Ca -0.07 -0.71 -0.07 0.00 -0.36 0.00 0.00 55.97 54.76 3ddm s LYS 175 Cb -0.07 -2.27 -0.06 0.00 -1.51 0.00 0.00 37.83 33.92 3ddm s LYS 175 CO -0.00 -0.34 0.50 -0.51 -0.36 0.00 0.00 175.35 174.64 3ddm s LEU 176 N 1.44 4.17 0.09 5.43 1.02 0.13 -1.95 118.68 129.00 3ddm s LEU 176 Ca 0.02 0.77 -0.16 0.00 0.02 0.00 0.00 54.13 54.78 3ddm s LEU 176 Cb -0.15 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.46 3ddm s LEU 176 CO -0.09 -0.07 0.51 -0.54 0.02 0.00 0.00 176.35 176.18 3ddm s LYS 177 N -2.95 4.02 0.00 1.70 1.02 -0.66 -0.84 119.74 122.03 3ddm s LYS 177 Ca 0.45 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.97 3ddm s LYS 177 Cb -0.11 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3ddm s LYS 177 CO 0.24 0.58 0.00 1.33 -0.92 0.00 0.00 175.35 176.59 3ddm n VAL 178 N 1.33 0.00 -0.93 3.17 0.24 0.11 -4.56 118.33 117.69 3ddm n VAL 178 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3ddm n VAL 178 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.00 0.76 0.00 7.63 0.00 -1.26 -4.49 105.19 107.82 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 -2.45 0.00 -3.86 1.61 3.72 -1.26 -4.88 117.46 110.34 3ddm n PHE 180 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 3ddm n PHE 180 Cb 0.00 -0.13 -0.16 0.00 -0.94 0.00 0.00 39.48 38.26 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 -3.03 3.63 0.31 4.37 2.15 -1.26 -5.03 116.67 117.82 3ddm s ASP 181 Ca 0.00 -1.17 0.04 0.00 0.43 0.00 0.00 52.55 51.85 3ddm s ASP 181 Cb 0.00 -0.98 0.83 0.00 -0.30 0.00 0.00 42.92 42.47 3ddm s ASP 181 CO 0.00 -0.29 1.55 0.47 -0.17 0.00 0.00 175.17 176.73 3ddm n ASP 182 N 4.79 -0.06 0.34 -0.34 10.43 -1.26 -1.40 116.55 129.05 3ddm n ASP 182 Ca -0.09 1.68 -0.13 0.00 2.57 0.00 0.00 54.79 58.81 3ddm n ASP 182 Cb 0.45 -0.64 -0.06 0.00 1.84 0.00 0.00 41.12 42.71 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 1.98 -1.22 -0.05 2.24 0.00 -2.00 -2.77 119.26 117.43 3ddm h ALA 183 Ca 0.63 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.39 3ddm h ALA 183 Cb 1.36 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 3ddm h ALA 183 CO -0.91 -1.15 -0.38 -0.09 0.00 0.00 0.00 179.25 176.71 3ddm h ARG 184 N -0.87 -0.49 -0.38 0.00 2.43 -1.74 -2.64 114.38 110.70 3ddm h ARG 184 Ca -0.09 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3ddm h ARG 184 Cb 0.66 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.24 3ddm h ARG 184 CO 0.14 -0.32 -0.53 -0.44 -1.51 0.00 0.00 179.97 177.31 3ddm h ASP 185 N -0.51 -1.78 -0.92 -3.80 3.32 -1.31 0.17 116.42 111.58 3ddm h ASP 185 Ca 0.07 0.23 0.23 0.00 0.02 0.00 0.00 57.03 57.57 3ddm h ASP 185 Cb 0.61 0.73 -0.06 0.00 0.22 0.00 0.00 39.33 40.82 3ddm h ASP 185 CO -0.33 -0.39 0.62 0.58 -1.72 0.00 0.00 179.24 178.00 3ddm h VAL 186 N -0.39 0.63 -0.19 -1.35 2.07 -1.35 0.81 116.25 116.48 3ddm h VAL 186 Ca 0.07 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 3ddm h VAL 186 Cb 0.57 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3ddm h VAL 186 CO -0.56 0.06 -0.57 -0.09 0.02 0.00 0.00 177.57 176.43 3ddm h ARG 187 N 0.31 0.72 -0.31 1.57 2.43 -0.43 -2.83 114.38 115.84 3ddm h ARG 187 Ca 0.48 -0.52 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3ddm h ARG 187 Cb 1.35 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 3ddm h ARG 187 CO -0.15 1.14 0.06 -0.91 -1.51 0.00 0.00 179.97 178.60 3ddm h ASN 188 N 0.42 0.49 -0.26 -3.80 2.35 0.13 -0.16 115.58 114.76 3ddm h ASN 188 Ca -0.02 -0.25 0.05 0.00 -0.55 0.00 0.00 56.30 55.53 3ddm h ASN 188 Cb 1.19 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.38 3ddm h ASN 188 CO 0.12 0.61 -0.05 0.00 -1.65 0.00 0.00 177.43 176.46 3ddm h ALA 189 N 0.89 0.18 -0.11 -0.83 0.00 -1.04 0.81 119.26 119.16 3ddm h ALA 189 Ca 0.10 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3ddm h ALA 189 Cb 0.33 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ddm h ALA 189 CO 0.00 -0.46 -0.59 -0.07 0.00 0.00 0.00 179.25 178.13 3ddm h LEU 190 N 0.01 0.41 -0.04 0.00 3.38 -1.45 -1.09 115.31 116.53 3ddm h LEU 190 Ca 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3ddm h LEU 190 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ddm h LEU 190 CO -0.26 0.90 -0.01 -0.74 0.09 0.00 0.00 178.44 178.43 3ddm h HIS 191 N 0.27 0.09 -0.80 1.13 2.76 -0.70 -2.32 115.15 115.59 3ddm h HIS 191 Ca -0.00 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3ddm h HIS 191 Cb 1.11 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 30.01 3ddm h HIS 191 CO 0.03 0.41 0.36 0.28 -1.30 0.00 0.00 177.93 177.72 3ddm h VAL 192 N -0.25 1.25 -0.76 5.26 2.07 -0.84 -0.03 116.25 122.96 3ddm h VAL 192 Ca 0.01 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.84 3ddm h VAL 192 Cb 0.38 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3ddm h VAL 192 CO 0.00 0.31 0.50 -0.09 0.02 0.00 0.00 177.57 178.31 3ddm h ARG 193 N 1.14 0.85 -0.04 1.57 9.65 -1.11 0.30 114.38 126.74 3ddm h ARG 193 Ca 0.27 -0.05 -0.17 0.00 -1.10 0.00 0.00 59.98 58.93 3ddm h ARG 193 Cb 0.15 -0.19 0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3ddm h ARG 193 CO -0.03 0.56 -0.63 0.93 2.80 0.00 0.00 179.97 183.60 3ddm h GLU 194 N 0.88 0.51 0.00 0.20 5.08 -0.78 -0.89 114.58 119.57 3ddm h GLU 194 Ca 0.31 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3ddm h GLU 194 Cb 0.13 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ddm h GLU 194 CO -0.10 1.12 -0.07 1.25 -1.00 0.00 0.00 179.01 180.21 3ddm h LEU 195 N 0.07 0.00 0.05 1.33 5.85 -0.40 -3.21 115.31 119.00 3ddm h LEU 195 Ca -0.07 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.29 3ddm h LEU 195 Cb 1.31 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3ddm h LEU 195 CO 0.13 0.07 -2.10 0.18 -0.34 0.00 0.00 178.44 176.38 3ddm n LEU 196 N -4.02 2.53 0.00 2.25 4.77 0.04 -5.08 117.00 117.49 3ddm n LEU 196 Ca -0.03 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3ddm n LEU 196 Cb 0.16 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3ddm n LEU 196 CO 0.31 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3ddm n GLY 197 N 1.89 0.78 0.08 -0.72 0.00 -0.34 -4.73 105.19 102.15 3ddm n GLY 197 Ca -0.39 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.25 3ddm n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm h ALA 198 N 0.00 0.05 -0.28 4.61 0.00 -1.93 -3.38 119.26 118.32 3ddm h ALA 198 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3ddm h ALA 198 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3ddm h ALA 198 CO 0.00 -0.05 -0.54 0.00 0.00 0.00 0.00 179.25 178.66 3ddm h ALA 199 N 0.39 -0.80 -1.88 0.00 0.00 -1.96 -3.44 119.26 111.57 3ddm h ALA 199 Ca -0.01 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.24 3ddm h ALA 199 Cb 0.75 1.05 0.06 0.00 0.00 0.00 0.00 17.79 19.65 3ddm h ALA 199 CO 0.02 -1.05 0.51 2.41 0.00 0.00 0.00 179.25 181.13 3ddm n THR 200 N -5.41 0.25 -2.56 0.00 -1.04 -1.26 -4.93 114.28 99.34 3ddm n THR 200 Ca -0.04 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.49 3ddm n THR 200 Cb 0.36 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.80 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 0.33 4.53 -0.05 -2.82 0.04 -1.26 -4.96 135.00 130.82 3ddm s PRO 201 Ca 0.80 1.62 0.05 0.00 0.04 0.00 0.00 61.00 63.51 3ddm s PRO 201 Cb -0.85 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 30.32 3ddm s PRO 201 CO 0.46 -0.08 -0.19 -1.17 0.04 0.00 0.00 177.00 176.06 3ddm s LEU 202 N 0.64 1.95 0.17 -3.56 2.96 -1.26 -2.25 118.68 117.33 3ddm s LEU 202 Ca 0.54 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 3ddm s LEU 202 Cb -0.26 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3ddm s LEU 202 CO 0.30 0.17 -0.16 -0.04 -1.32 0.00 0.00 176.35 175.30 3ddm s MET 203 N 0.04 1.25 -0.01 1.98 -1.94 0.89 -0.51 119.30 120.99 3ddm s MET 203 Ca -0.05 -1.44 0.04 0.00 -1.71 0.00 0.00 55.69 52.53 3ddm s MET 203 Cb -0.13 -1.20 -0.01 0.00 2.01 0.00 0.00 34.83 35.51 3ddm s MET 203 CO 0.03 0.23 -0.14 0.00 -0.01 0.00 0.00 175.02 175.13 3ddm s ALA 204 N -2.35 1.15 -0.12 3.03 0.00 -1.06 0.18 121.76 122.58 3ddm s ALA 204 Ca 0.17 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3ddm s ALA 204 Cb -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3ddm s ALA 204 CO 0.06 0.27 -0.15 0.34 0.00 0.00 0.00 175.76 176.28 3ddm s ASP 205 N -0.27 2.55 0.00 0.00 3.68 -0.02 0.36 116.67 122.98 3ddm s ASP 205 Ca 0.04 -0.45 0.22 0.00 2.13 0.00 0.00 52.55 54.49 3ddm s ASP 205 Cb -0.06 -1.13 -0.16 0.00 -1.45 0.00 0.00 42.92 40.12 3ddm s ASP 205 CO -0.00 -0.01 0.85 0.00 0.13 0.00 0.00 175.17 176.13 3ddm n ALA 206 N 4.42 3.92 -3.75 3.66 0.00 -0.51 -0.71 120.51 127.55 3ddm n ALA 206 Ca -0.18 -0.53 -0.24 0.00 0.00 0.00 0.00 53.44 52.49 3ddm n ALA 206 Cb 0.51 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.79 -2.00 -3.93 0.00 4.13 -1.22 -2.02 115.26 108.42 3ddm n ASN 207 Ca 0.02 -0.91 -0.30 0.00 1.68 0.00 0.00 54.58 55.06 3ddm n ASN 207 Cb 0.41 -3.68 0.02 0.00 -1.54 0.00 0.00 39.78 34.99 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 -4.24 -5.27 -0.03 3.52 6.02 0.29 -4.89 117.38 112.77 3ddm n GLN 208 Ca -0.25 0.58 0.12 0.00 -0.01 0.00 0.00 57.00 57.44 3ddm n GLN 208 Cb 0.66 -5.42 0.21 0.00 1.02 0.00 0.00 30.24 26.71 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 -1.67 0.89 3.38 1.08 0.00 -0.85 -4.44 105.19 103.58 3ddm n GLY 209 Ca 0.02 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.92 1.78 0.21 1.61 0.51 -0.96 -4.98 118.94 115.19 3ddm s TRP 210 Ca 0.32 -0.70 0.06 0.00 -2.12 0.00 0.00 56.10 53.66 3ddm s TRP 210 Cb 0.20 -0.96 -0.04 0.00 -0.81 0.00 0.00 33.47 31.86 3ddm s TRP 210 CO 0.31 0.24 0.14 0.16 -0.51 0.00 0.00 176.95 177.28 3ddm s ASP 211 N -3.37 5.38 0.29 2.95 -4.77 -1.26 -4.34 116.67 111.55 3ddm s ASP 211 Ca 0.27 -0.24 -0.02 0.00 -3.30 0.00 0.00 52.55 49.26 3ddm s ASP 211 Cb 0.03 -1.34 0.63 0.00 -1.09 0.00 0.00 42.92 41.15 3ddm s ASP 211 CO 0.09 0.02 1.54 -0.11 0.70 0.00 0.00 175.17 177.42 3ddm n LEU 212 N -0.70 -0.21 0.22 2.11 7.94 -1.26 -0.67 117.00 124.43 3ddm n LEU 212 Ca -0.08 1.68 -0.15 0.00 -1.11 0.00 0.00 56.01 56.35 3ddm n LEU 212 Cb 0.56 -0.57 -0.07 0.00 0.53 0.00 0.00 43.42 43.87 3ddm n LEU 212 CO 0.43 -1.67 0.69 -0.65 -1.11 0.00 0.00 177.39 175.08 3ddm h PRO 213 N 0.00 -0.59 -0.67 1.96 0.11 -2.00 -1.45 132.00 129.36 3ddm h PRO 213 Ca 0.55 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.64 3ddm h PRO 213 Cb 1.03 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3ddm h PRO 213 CO -0.96 -0.39 0.18 -0.09 -0.21 0.00 0.00 178.00 176.53 3ddm h ARG 214 N -0.61 1.04 -0.55 1.05 2.43 -1.72 -2.90 114.38 113.12 3ddm h ARG 214 Ca -0.03 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3ddm h ARG 214 Cb 0.53 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3ddm h ARG 214 CO -0.01 0.91 0.36 0.00 -1.51 0.00 0.00 179.97 179.72 3ddm h ALA 215 N 1.20 0.70 -0.53 2.80 0.00 -0.73 -0.84 119.26 121.86 3ddm h ALA 215 Ca 0.21 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3ddm h ALA 215 Cb 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3ddm h ALA 215 CO -0.00 0.14 0.24 0.00 0.00 0.00 0.00 179.25 179.63 3ddm h ARG 216 N 0.74 0.45 0.51 0.00 3.08 -1.07 0.15 114.38 118.23 3ddm h ARG 216 Ca 0.20 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3ddm h ARG 216 Cb -0.07 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3ddm h ARG 216 CO -0.04 0.30 -0.24 0.37 -1.07 0.00 0.00 179.97 179.28 3ddm h GLN 217 N 0.46 -0.66 -0.86 0.04 4.15 -1.28 -2.87 115.11 114.09 3ddm h GLN 217 Ca 0.24 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.77 3ddm h GLN 217 Cb 0.20 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 3ddm h GLN 217 CO -0.20 -0.38 0.56 0.52 -1.93 0.00 0.00 178.83 177.40 3ddm h MET 218 N -0.84 0.93 -0.14 1.69 2.86 -1.00 -1.29 114.93 117.14 3ddm h MET 218 Ca -0.07 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3ddm h MET 218 Cb 0.59 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 3ddm h MET 218 CO 0.11 0.61 -0.12 0.00 1.06 0.00 0.00 176.91 178.58 3ddm h ALA 219 N 1.53 -0.02 -0.36 6.32 0.00 -0.89 -0.57 119.26 125.28 3ddm h ALA 219 Ca 0.37 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3ddm h ALA 219 Cb 0.22 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ddm h ALA 219 CO -0.14 -0.57 -0.01 1.96 0.00 0.00 0.00 179.25 180.50 3ddm h GLN 220 N -0.14 0.64 0.00 0.00 7.50 -1.23 -2.40 115.11 119.49 3ddm h GLN 220 Ca 0.09 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 59.03 3ddm h GLN 220 Cb 0.27 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.75 3ddm h GLN 220 CO -0.22 0.76 0.04 0.00 -1.50 0.00 0.00 178.83 177.91 3ddm h ARG 221 N 0.46 0.00 0.00 1.46 3.08 -0.86 -1.73 114.38 116.79 3ddm h ARG 221 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3ddm h ARG 221 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3ddm h ARG 221 CO 0.02 0.00 -1.66 1.28 -1.07 0.00 0.00 179.97 178.54 3ddm n LEU 222 N -3.04 0.42 -0.34 3.04 4.77 -0.26 -4.51 117.00 117.08 3ddm n LEU 222 Ca -0.03 0.17 0.07 0.00 -0.03 0.00 0.00 56.01 56.20 3ddm n LEU 222 Cb 0.11 0.07 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 3ddm n LEU 222 CO 0.19 0.05 0.65 0.61 -1.33 0.00 0.00 177.39 177.56 3ddm n GLY 223 N 1.34 -1.55 0.40 -0.72 0.00 -0.65 0.75 105.19 104.76 3ddm n GLY 223 Ca -0.08 1.00 0.21 0.00 0.00 0.00 0.00 46.02 47.16 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 0.11 0.00 1.61 0.11 -1.79 0.14 132.00 132.18 3ddm h PRO 224 Ca 0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3ddm h PRO 224 Cb 0.79 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3ddm h PRO 224 CO -0.97 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 176.90 3ddm h ALA 225 N 1.66 1.00 -5.88 -0.75 0.00 0.03 -3.47 119.26 111.84 3ddm h ALA 225 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.97 3ddm h ALA 225 Cb 1.18 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.05 3ddm h ALA 225 CO -0.04 0.00 -0.69 1.04 0.00 0.00 0.00 179.25 179.56 3ddm n GLN 226 N -2.45 -1.52 -3.04 0.00 1.13 0.48 -4.88 117.38 107.10 3ddm n GLN 226 Ca 0.00 0.87 -0.36 0.00 -1.94 0.00 0.00 57.00 55.57 3ddm n GLN 226 Cb 0.16 -4.73 -0.06 0.00 0.11 0.00 0.00 30.24 25.72 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 -5.38 4.30 0.29 1.08 1.43 -1.26 -4.56 118.68 114.58 3ddm s LEU 227 Ca 0.29 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.93 3ddm s LEU 227 Cb -0.08 -3.75 0.44 0.00 0.03 0.00 0.00 46.19 42.83 3ddm s LEU 227 CO 0.81 -0.02 1.69 0.44 0.23 0.00 0.00 176.35 179.50 3ddm h ASP 228 N 3.20 0.27 -4.47 2.29 5.19 -1.18 -3.43 116.42 118.29 3ddm h ASP 228 Ca -0.48 -0.11 0.14 0.00 -0.62 0.00 0.00 57.03 55.96 3ddm h ASP 228 Cb 1.19 -0.08 -0.17 0.00 0.18 0.00 0.00 39.33 40.45 3ddm h ASP 228 CO 0.65 0.66 0.58 -1.66 -3.12 0.00 0.00 179.24 176.35 3ddm s TRP 229 N -4.14 -0.30 -0.26 4.55 -2.14 -1.26 -4.11 118.94 111.29 3ddm s TRP 229 Ca -0.05 0.24 -0.04 0.00 2.66 0.00 0.00 56.10 58.92 3ddm s TRP 229 Cb 0.13 0.52 0.01 0.00 -3.10 0.00 0.00 33.47 31.04 3ddm s TRP 229 CO 0.78 -0.44 -0.02 -1.17 -2.66 0.00 0.00 176.95 173.44 3ddm s LEU 230 N -2.21 3.32 -0.01 -4.66 0.20 0.89 -2.55 118.68 113.65 3ddm s LEU 230 Ca 0.05 -0.72 -0.19 0.00 0.69 0.00 0.00 54.13 53.95 3ddm s LEU 230 Cb -0.01 -1.74 -0.05 0.00 -0.43 0.00 0.00 46.19 43.96 3ddm s LEU 230 CO -0.07 -0.12 0.56 -0.70 -0.29 0.00 0.00 176.35 175.73 3ddm s GLU 231 N 1.41 4.26 -0.81 1.98 2.12 0.16 -0.64 118.70 127.18 3ddm s GLU 231 Ca 0.02 0.66 -0.20 0.00 0.36 0.00 0.00 54.97 55.82 3ddm s GLU 231 Cb -0.16 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 30.92 3ddm s GLU 231 CO -0.02 0.41 0.48 0.39 -0.54 0.00 0.00 175.26 175.97 3ddm n GLU 232 N 2.64 -0.60 0.27 4.30 1.02 0.33 -1.42 120.64 127.18 3ddm n GLU 232 Ca -0.08 0.05 0.16 0.00 -0.02 0.00 0.00 57.16 57.26 3ddm n GLU 232 Cb 0.51 -1.51 0.68 0.00 -0.02 0.00 0.00 31.44 31.10 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 -0.79 0.00 -5.27 3.49 0.13 -1.83 0.84 132.00 128.56 3ddm h PRO 233 Ca -0.51 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.14 3ddm h PRO 233 Cb 1.02 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.01 3ddm h PRO 233 CO 0.35 0.06 -0.61 -0.51 -0.23 0.00 0.00 178.00 177.06 3ddm s LEU 234 N -6.41 2.25 0.24 1.56 1.43 -1.26 -2.26 118.68 114.23 3ddm s LEU 234 Ca 0.00 -1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 51.43 3ddm s LEU 234 Cb 0.10 -0.44 -0.09 0.00 0.03 0.00 0.00 46.19 45.79 3ddm s LEU 234 CO 0.56 -0.59 1.28 -0.13 0.23 0.00 0.00 176.35 177.70 3ddm s ARG 235 N -3.87 4.42 0.27 1.70 0.52 -1.26 -4.19 118.95 116.53 3ddm s ARG 235 Ca 0.36 2.04 0.15 0.00 -0.52 0.00 0.00 55.73 57.76 3ddm s ARG 235 Cb 0.09 -3.17 0.80 0.00 0.52 0.00 0.00 34.95 33.18 3ddm s ARG 235 CO 0.16 -0.17 1.39 0.00 0.02 0.00 0.00 175.30 176.70 3ddm n ALA 236 N 2.06 0.84 0.06 2.13 0.00 -1.26 -0.84 120.51 123.50 3ddm n ALA 236 Ca 0.04 0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 3ddm n ALA 236 Cb 0.43 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 18.93 3ddm n ALA 236 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3ddm h ASP 237 N 0.00 0.38 -3.00 0.00 1.82 -1.95 -3.47 116.42 110.21 3ddm h ASP 237 Ca 0.00 -0.23 -0.57 0.00 -0.39 0.00 0.00 57.03 55.85 3ddm h ASP 237 Cb 0.26 -0.11 0.19 0.00 0.68 0.00 0.00 39.33 40.35 3ddm h ASP 237 CO 0.00 0.92 -0.55 0.54 -1.61 0.00 0.00 179.24 178.53 3ddm n ARG 238 N -3.87 0.27 -2.17 0.28 5.12 -0.02 -4.92 116.66 111.35 3ddm n ARG 238 Ca -0.03 0.13 -0.39 0.00 -1.93 0.00 0.00 57.85 55.62 3ddm n ARG 238 Cb 0.64 -1.69 -0.01 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.47 4.06 0.32 5.56 0.02 -1.26 -4.89 135.00 136.35 3ddm s PRO 239 Ca 0.64 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.77 3ddm s PRO 239 Cb -0.36 -2.77 0.88 0.00 0.02 0.00 0.00 34.50 32.26 3ddm s PRO 239 CO 0.60 -0.37 1.73 0.00 -0.33 0.00 0.00 177.00 178.63 3ddm h ALA 240 N 2.78 1.78 -0.95 -1.55 0.00 -1.96 0.16 119.26 119.51 3ddm h ALA 240 Ca -0.49 0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.69 3ddm h ALA 240 Cb 1.24 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 3ddm h ALA 240 CO 0.63 -0.27 0.57 0.00 0.00 0.00 0.00 179.25 180.18 3ddm h ALA 241 N 1.73 1.47 -0.60 0.00 0.00 -2.00 0.48 119.26 120.34 3ddm h ALA 241 Ca 0.64 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.50 3ddm h ALA 241 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3ddm h ALA 241 CO -0.48 0.08 -0.02 0.93 0.00 0.00 0.00 179.25 179.76 3ddm h GLU 242 N 0.84 1.07 -0.32 0.00 5.08 -1.05 -2.48 114.58 117.71 3ddm h GLU 242 Ca 0.50 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3ddm h GLU 242 Cb 0.61 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3ddm h GLU 242 CO -0.31 1.05 0.08 -1.49 -1.00 0.00 0.00 179.01 177.34 3ddm h TRP 243 N 0.96 0.54 -0.32 4.33 4.06 -1.07 -2.22 115.95 122.24 3ddm h TRP 243 Ca 0.17 -0.06 0.06 0.00 2.06 0.00 0.00 58.89 61.12 3ddm h TRP 243 Cb 0.58 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.53 3ddm h TRP 243 CO 0.04 0.56 -0.08 0.00 -3.56 0.00 0.00 178.44 175.40 3ddm h ALA 244 N 0.92 0.21 -0.88 1.49 0.00 -0.87 0.18 119.26 120.32 3ddm h ALA 244 Ca 0.10 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3ddm h ALA 244 Cb 0.29 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3ddm h ALA 244 CO 0.00 -0.46 0.57 1.49 0.00 0.00 0.00 179.25 180.85 3ddm h GLU 245 N 0.00 1.06 -0.37 0.00 4.81 -1.31 -2.13 114.58 116.64 3ddm h GLU 245 Ca 0.15 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3ddm h GLU 245 Cb 0.23 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3ddm h GLU 245 CO -0.33 0.70 -0.31 1.25 -0.73 0.00 0.00 179.01 179.59 3ddm h LEU 246 N 1.09 0.85 -0.65 1.64 5.85 -0.69 -2.48 115.31 120.92 3ddm h LEU 246 Ca 0.36 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ddm h LEU 246 Cb 0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3ddm h LEU 246 CO -0.13 1.09 0.41 0.00 -0.34 0.00 0.00 178.44 179.48 3ddm h ALA 247 N 0.95 0.82 0.90 1.25 0.00 -0.13 0.14 119.26 123.21 3ddm h ALA 247 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ddm h ALA 247 Cb 0.86 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ddm h ALA 247 CO 0.08 0.27 -0.45 1.96 0.00 0.00 0.00 179.25 181.11 3ddm h GLN 248 N 0.88 -1.18 -0.76 0.00 4.20 -1.31 -3.22 115.11 113.72 3ddm h GLN 248 Ca 0.24 0.08 0.07 0.00 0.06 0.00 0.00 58.65 59.10 3ddm h GLN 248 Cb -0.07 0.27 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 3ddm h GLN 248 CO -0.05 -0.79 0.44 0.00 -0.67 0.00 0.00 178.83 177.76 3ddm h ALA 249 N -1.40 1.05 -2.92 3.87 0.00 -1.36 -3.43 119.26 115.08 3ddm h ALA 249 Ca -0.12 0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.27 3ddm h ALA 249 Cb 0.95 -0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.69 3ddm h ALA 249 CO 0.19 0.12 0.81 0.00 0.00 0.00 0.00 179.25 180.37 3ddm s ALA 250 N -6.07 3.61 -0.34 0.00 0.00 0.50 -4.85 121.76 114.61 3ddm s ALA 250 Ca -0.13 1.59 0.22 0.00 0.00 0.00 0.00 51.96 53.64 3ddm s ALA 250 Cb 0.18 -3.62 0.19 0.00 0.00 0.00 0.00 23.12 19.87 3ddm s ALA 250 CO 0.77 -1.06 1.40 -1.00 0.00 0.00 0.00 175.76 175.87 3ddm h PRO 251 N 3.36 0.00 -5.99 0.00 0.13 -1.84 -3.47 132.00 124.20 3ddm h PRO 251 Ca -0.50 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.08 3ddm h PRO 251 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 3ddm h PRO 251 CO 0.67 0.06 -0.50 0.00 -0.23 0.00 0.00 178.00 178.01 3ddm s MET 252 N -3.22 2.29 0.40 0.86 0.23 -1.26 -5.08 119.30 113.53 3ddm s MET 252 Ca 0.04 -1.73 -0.25 0.00 -1.03 0.00 0.00 55.69 52.72 3ddm s MET 252 Cb 0.07 -2.08 -0.08 0.00 -1.53 0.00 0.00 34.83 31.21 3ddm s MET 252 CO 0.72 -0.06 1.19 -2.14 -2.03 0.00 0.00 175.02 172.70 3ddm s PRO 253 N -3.91 4.02 -0.04 3.16 0.02 -1.26 -4.81 135.00 132.18 3ddm s PRO 253 Ca 0.41 1.90 -0.13 0.00 0.02 0.00 0.00 61.00 63.19 3ddm s PRO 253 Cb 0.01 -2.68 -0.05 0.00 0.02 0.00 0.00 34.50 31.80 3ddm s PRO 253 CO 0.23 -0.36 0.35 -0.51 -0.33 0.00 0.00 177.00 176.37 3ddm s LEU 254 N -2.51 4.43 0.06 -5.54 1.02 -1.26 -0.08 118.68 114.81 3ddm s LEU 254 Ca 0.57 0.82 0.08 0.00 0.02 0.00 0.00 54.13 55.62 3ddm s LEU 254 Cb -0.32 -2.46 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 3ddm s LEU 254 CO 0.40 0.31 -0.22 0.00 0.02 0.00 0.00 176.35 176.87 3ddm s ALA 255 N -0.88 1.86 0.20 4.21 0.00 0.19 -0.74 121.76 126.61 3ddm s ALA 255 Ca 0.21 -1.14 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 3ddm s ALA 255 Cb -0.15 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.69 3ddm s ALA 255 CO 0.11 0.41 0.95 0.20 0.00 0.00 0.00 175.76 177.43 3ddm s GLY 256 N -1.36 -0.06 0.00 0.00 0.00 -0.87 -0.51 107.32 104.52 3ddm s GLY 256 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.67 3ddm s GLY 256 CO 0.02 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.36 3ddm n GLY 257 N -0.54 2.47 0.43 0.20 0.00 -1.26 0.62 105.19 107.11 3ddm n GLY 257 Ca -0.05 -0.26 0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.18 1.61 4.57 -1.72 -1.38 114.58 117.49 3ddm h GLU 258 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 3ddm h GLU 258 Cb 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.46 3ddm h GLU 258 CO 0.00 0.00 -0.62 0.09 -1.18 0.00 0.00 179.01 177.30 3ddm n ASN 259 N -3.85 2.40 -4.31 1.04 5.03 -1.26 -4.83 115.26 109.49 3ddm n ASN 259 Ca 0.13 -3.71 -0.32 0.00 0.87 0.00 0.00 54.58 51.56 3ddm n ASN 259 Cb 0.86 -0.47 -0.16 0.00 -1.02 0.00 0.00 39.78 38.99 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 -3.36 2.23 -0.02 2.41 1.01 -0.52 -4.95 121.20 118.00 3ddm s ILE 260 Ca 0.40 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 3ddm s ILE 260 Cb 0.38 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 41.04 3ddm s ILE 260 CO -0.05 0.57 0.06 0.00 0.00 0.00 0.00 174.94 175.53 3ddm s ALA 261 N -0.30 -0.16 0.00 9.38 0.00 -1.26 -4.88 121.76 124.54 3ddm s ALA 261 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3ddm s ALA 261 Cb -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3ddm s ALA 261 CO 0.02 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.16 3ddm n GLY 262 N 2.99 1.63 0.30 0.00 0.00 -1.26 -4.33 105.19 104.51 3ddm n GLY 262 Ca -0.13 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 3ddm n GLY 262 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ddm h VAL 263 N 0.00 1.27 -0.17 1.61 -1.51 -1.99 -2.58 116.25 112.87 3ddm h VAL 263 Ca 0.00 -1.14 0.05 0.00 -1.23 0.00 0.00 66.70 64.38 3ddm h VAL 263 Cb 0.00 0.83 -0.05 0.00 -2.13 0.00 0.00 31.29 29.94 3ddm h VAL 263 CO 0.00 0.41 -0.16 0.00 -1.23 0.00 0.00 177.57 176.59 3ddm h ALA 264 N 0.98 -0.04 -0.21 5.19 0.00 -1.98 0.55 119.26 123.74 3ddm h ALA 264 Ca 0.17 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ddm h ALA 264 Cb 0.55 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3ddm h ALA 264 CO 0.03 -0.60 0.12 0.00 0.00 0.00 0.00 179.25 178.81 3ddm h ALA 265 N 0.91 0.26 -0.36 0.00 0.00 -1.73 -0.19 119.26 118.15 3ddm h ALA 265 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3ddm h ALA 265 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ddm h ALA 265 CO -0.28 -0.28 -0.11 0.74 0.00 0.00 0.00 179.25 179.33 3ddm h PHE 266 N 0.26 0.68 -0.65 0.00 0.04 -1.05 -1.00 116.94 115.22 3ddm h PHE 266 Ca 0.08 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.67 3ddm h PHE 266 Cb -0.01 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 3ddm h PHE 266 CO -0.08 0.71 0.13 1.49 -0.60 0.00 0.00 178.31 179.97 3ddm h GLU 267 N 0.57 1.05 -0.14 1.51 4.57 0.46 0.14 114.58 122.75 3ddm h GLU 267 Ca 0.10 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 3ddm h GLU 267 Cb 0.53 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3ddm h GLU 267 CO 0.03 0.96 -0.01 1.15 -1.18 0.00 0.00 179.01 179.96 3ddm h THR 268 N 0.97 1.26 -0.14 0.32 2.02 -0.66 -1.68 112.91 114.99 3ddm h THR 268 Ca 0.20 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3ddm h THR 268 Cb 0.39 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3ddm h THR 268 CO 0.01 0.25 0.09 0.00 0.37 0.00 0.00 175.52 176.24 3ddm h ALA 269 N 0.74 0.18 -0.79 6.16 0.00 -1.03 -1.89 119.26 122.64 3ddm h ALA 269 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ddm h ALA 269 Cb 0.39 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3ddm h ALA 269 CO 0.01 -0.33 0.44 1.25 0.00 0.00 0.00 179.25 180.62 3ddm h LEU 270 N 0.18 0.62 -0.57 0.00 5.85 -0.67 -1.83 115.31 118.89 3ddm h LEU 270 Ca 0.05 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3ddm h LEU 270 Cb -0.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3ddm h LEU 270 CO -0.01 0.36 -0.02 0.00 -0.34 0.00 0.00 178.44 178.43 3ddm h ALA 271 N 1.44 0.78 -0.70 1.25 0.00 -0.99 -3.04 119.26 117.99 3ddm h ALA 271 Ca 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ddm h ALA 271 Cb 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ddm h ALA 271 CO -0.24 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.04 3ddm h ALA 272 N 0.96 0.89 -0.80 0.00 0.00 -0.60 -3.47 119.26 116.24 3ddm h ALA 272 Ca 0.16 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3ddm h ALA 272 Cb 0.58 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3ddm h ALA 272 CO 0.03 0.37 -0.20 0.54 0.00 0.00 0.00 179.25 180.00 3ddm n ARG 273 N -4.53 -0.68 0.04 0.00 1.74 -0.76 -4.91 116.66 107.56 3ddm n ARG 273 Ca 0.06 0.67 -0.15 0.00 -0.77 0.00 0.00 57.85 57.66 3ddm n ARG 273 Cb 0.06 -4.61 -0.05 0.00 -1.02 0.00 0.00 32.46 26.85 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 0.69 -3.68 0.55 0.02 -1.90 -3.41 113.55 105.83 3ddm h SER 274 Ca -0.20 -0.51 -0.63 0.00 -0.84 0.00 0.00 61.79 59.61 3ddm h SER 274 Cb 0.83 -0.21 -0.14 0.00 0.14 0.00 0.00 62.40 63.02 3ddm h SER 274 CO 0.27 1.30 -0.18 -0.76 -1.14 0.00 0.00 176.83 176.32 3ddm s LEU 275 N -8.01 4.08 0.00 5.07 1.43 -1.26 -4.36 118.68 115.63 3ddm s LEU 275 Ca -0.08 0.29 0.25 0.00 -1.03 0.00 0.00 54.13 53.57 3ddm s LEU 275 Cb 0.09 -2.48 0.51 0.00 0.03 0.00 0.00 46.19 44.33 3ddm s LEU 275 CO 0.88 -0.23 1.41 0.54 0.23 0.00 0.00 176.35 179.18 3ddm n ARG 276 N 5.40 1.12 -3.69 1.70 1.74 0.09 -4.68 116.66 118.34 3ddm n ARG 276 Ca -0.07 -0.78 -0.28 0.00 -0.77 0.00 0.00 57.85 55.94 3ddm n ARG 276 Cb 0.50 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.42 0.48 -0.00 1.55 1.01 -1.12 -1.20 120.40 118.69 3ddm s VAL 277 Ca 0.24 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 3ddm s VAL 277 Cb 0.19 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 3ddm s VAL 277 CO 0.51 -0.45 0.44 -0.04 0.00 0.00 0.00 175.10 175.56 3ddm s MET 278 N 1.85 4.02 -0.56 2.72 -1.94 -0.49 -2.04 119.30 122.86 3ddm s MET 278 Ca 0.04 0.46 0.06 0.00 -1.71 0.00 0.00 55.69 54.54 3ddm s MET 278 Cb -0.17 -3.25 0.22 0.00 2.01 0.00 0.00 34.83 33.64 3ddm s MET 278 CO -0.18 0.62 0.57 1.04 -0.01 0.00 0.00 175.02 177.05 3ddm n GLN 279 N 2.04 1.54 -2.44 2.03 6.02 0.20 -2.59 117.38 124.19 3ddm n GLN 279 Ca -0.13 -4.03 -0.39 0.00 -0.01 0.00 0.00 57.00 52.45 3ddm n GLN 279 Cb 0.52 -1.91 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.52 4.37 -0.44 -1.09 0.04 -1.26 -1.80 135.00 133.31 3ddm s PRO 280 Ca 0.34 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 3ddm s PRO 280 Cb 0.09 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.81 3ddm s PRO 280 CO -0.10 -0.02 0.31 0.34 0.04 0.00 0.00 177.00 177.57 3ddm s ASP 281 N -1.10 5.82 0.62 6.66 -1.08 -1.26 -4.60 116.67 121.73 3ddm s ASP 281 Ca 0.51 -1.44 0.38 0.00 -0.52 0.00 0.00 52.55 51.48 3ddm s ASP 281 Cb -0.29 -2.06 2.06 0.00 -1.46 0.00 0.00 42.92 41.17 3ddm s ASP 281 CO 0.38 -0.58 2.27 0.17 0.52 0.00 0.00 175.17 177.93 3ddm h LEU 282 N 8.53 0.00 -0.33 -1.34 -0.00 -1.87 0.75 115.31 121.05 3ddm h LEU 282 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 3ddm h LEU 282 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 3ddm h LEU 282 CO 0.80 0.02 -0.23 0.00 -0.00 0.00 0.00 178.44 179.03 3ddm n ALA 283 N -2.17 3.00 -0.08 0.17 0.00 -1.26 -1.47 120.51 118.71 3ddm n ALA 283 Ca -0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 53.44 52.99 3ddm n ALA 283 Cb 0.12 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.89 1.28 -3.63 0.00 4.81 0.17 -1.75 118.16 118.15 3ddm n LYS 284 Ca 0.12 -0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.41 3ddm n LYS 284 Cb 0.32 -1.42 -0.07 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.40 -0.69 0.00 5.64 -0.00 -0.70 -2.89 118.94 117.91 3ddm s TRP 285 Ca -0.09 1.59 0.00 0.00 -0.00 0.00 0.00 56.10 57.60 3ddm s TRP 285 Cb 0.05 0.27 0.00 0.00 -0.00 0.00 0.00 33.47 33.79 3ddm s TRP 285 CO 0.67 -0.40 0.00 0.41 -0.00 0.00 0.00 176.95 177.63 3ddm n GLY 286 N 2.34 0.79 7.00 5.86 0.00 -1.26 -4.29 105.19 115.63 3ddm n GLY 286 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 2.06 0.15 -0.02 0.00 -0.54 -0.89 105.19 105.90 3ddm n GLY 287 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 0.56 -0.72 1.61 0.04 -1.83 -1.32 116.94 115.28 3ddm h PHE 288 Ca 0.00 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 60.63 3ddm h PHE 288 Cb 0.00 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 3ddm h PHE 288 CO 0.00 0.88 0.47 0.77 -0.60 0.00 0.00 178.31 179.84 3ddm h SER 289 N 0.07 0.71 0.02 2.17 0.02 -1.86 -1.54 113.55 113.13 3ddm h SER 289 Ca 0.01 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 3ddm h SER 289 Cb 0.83 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3ddm h SER 289 CO 0.06 0.47 -1.07 1.23 -1.14 0.00 0.00 176.83 176.38 3ddm h GLY 290 N 0.81 0.04 1.86 -3.77 0.00 -1.06 -3.41 103.07 97.55 3ddm h GLY 290 Ca 0.30 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 3ddm h GLY 290 CO -0.09 0.09 -0.56 0.00 0.00 0.00 0.00 176.54 175.98 3ddm h LEU 292 N 0.11 -0.91 -1.29 0.00 5.85 -1.47 0.13 115.31 117.73 3ddm h LEU 292 Ca -0.00 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3ddm h LEU 292 Cb 1.03 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 3ddm h LEU 292 CO 0.08 -0.35 -0.11 1.55 -0.34 0.00 0.00 178.44 179.27 3ddm h PRO 293 N -0.40 0.35 -0.04 5.25 0.13 -1.80 -1.99 132.00 133.50 3ddm h PRO 293 Ca 0.08 -0.08 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 3ddm h PRO 293 Cb 0.53 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3ddm h PRO 293 CO -0.31 0.47 -0.68 -0.24 -0.23 0.00 0.00 178.00 177.01 3ddm h VAL 294 N 0.33 1.43 -0.26 1.56 3.04 -1.46 -0.91 116.25 119.98 3ddm h VAL 294 Ca 0.07 -2.18 -0.05 0.00 -1.01 0.00 0.00 66.70 63.53 3ddm h VAL 294 Cb 0.40 2.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 3ddm h VAL 294 CO 0.02 0.64 -0.01 0.00 -1.01 0.00 0.00 177.57 177.21 3ddm h ALA 295 N 1.17 0.36 -0.79 3.17 0.00 -0.54 -0.89 119.26 121.73 3ddm h ALA 295 Ca -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ddm h ALA 295 Cb 1.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3ddm h ALA 295 CO 0.10 0.11 0.52 0.00 0.00 0.00 0.00 179.25 179.99 3ddm h ARG 296 N 0.25 0.98 -0.42 0.00 3.08 -1.23 -0.98 114.38 116.05 3ddm h ARG 296 Ca 0.07 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3ddm h ARG 296 Cb 0.45 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3ddm h ARG 296 CO 0.02 0.65 -0.05 0.00 -1.07 0.00 0.00 179.97 179.51 3ddm h ALA 297 N 1.53 0.57 0.36 0.04 0.00 -0.83 -1.43 119.26 119.50 3ddm h ALA 297 Ca 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ddm h ALA 297 Cb -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ddm h ALA 297 CO -0.08 0.41 -0.17 0.28 0.00 0.00 0.00 179.25 179.68 3ddm h VAL 298 N 0.60 0.65 -0.23 0.00 2.07 -0.48 -1.90 116.25 116.96 3ddm h VAL 298 Ca 0.11 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3ddm h VAL 298 Cb 0.56 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3ddm h VAL 298 CO 0.03 0.01 0.12 0.58 0.02 0.00 0.00 177.57 178.33 3ddm h VAL 299 N -0.51 1.00 0.00 2.57 2.07 -1.21 -1.99 116.25 118.18 3ddm h VAL 299 Ca -0.05 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3ddm h VAL 299 Cb 0.39 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3ddm h VAL 299 CO 0.08 0.05 -0.03 0.00 0.02 0.00 0.00 177.57 177.68 3ddm h ALA 300 N 1.12 1.23 -0.10 1.67 0.00 -1.21 0.10 119.26 122.07 3ddm h ALA 300 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ddm h ALA 300 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ddm h ALA 300 CO -0.07 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3ddm n ALA 301 N -2.21 2.56 -0.74 0.00 0.00 -0.72 -4.87 120.51 114.52 3ddm n ALA 301 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3ddm n ALA 301 Cb 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.99 0.80 2.99 0.00 0.00 0.02 -5.04 105.19 104.94 3ddm n GLY 302 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3ddm n GLY 302 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ddm n LEU 303 N 0.00 0.00 -4.36 0.99 4.77 -0.81 -4.98 117.00 112.62 3ddm n LEU 303 Ca 0.00 -1.59 -0.33 0.00 -0.03 0.00 0.00 56.01 54.05 3ddm n LEU 303 Cb 0.00 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.43 3ddm n LEU 303 CO 0.00 -0.90 -0.43 -0.60 -1.33 0.00 0.00 177.39 174.13 3ddm s ARG 304 N -4.52 3.38 -0.34 3.23 3.52 -0.34 -4.18 118.95 119.70 3ddm s ARG 304 Ca 0.51 -0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 55.33 3ddm s ARG 304 Cb -0.03 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.65 3ddm s ARG 304 CO 0.34 0.12 0.20 -0.47 -0.81 0.00 0.00 175.30 174.68 3ddm s TYR 305 N 0.60 3.21 -0.31 5.12 5.04 -1.26 -1.39 117.35 128.35 3ddm s TYR 305 Ca -0.07 -0.55 -0.02 0.00 -2.44 0.00 0.00 57.07 54.00 3ddm s TYR 305 Cb -0.15 -2.43 0.11 0.00 0.35 0.00 0.00 41.96 39.84 3ddm s TYR 305 CO 0.03 -0.48 0.14 0.00 -1.34 0.00 0.00 175.55 173.90 3ddm s PRO 307 N 1.71 1.94 -0.06 0.00 0.04 -1.25 -4.40 135.00 132.98 3ddm s PRO 307 Ca 0.11 -0.03 -0.29 0.00 0.04 0.00 0.00 61.00 60.83 3ddm s PRO 307 Cb -0.18 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.42 3ddm s PRO 307 CO -0.26 -1.55 0.64 -3.38 0.04 0.00 0.00 177.00 172.48 3ddm s HIS 308 N -3.51 -0.61 -0.06 0.56 -3.43 -1.26 -2.09 115.29 104.88 3ddm s HIS 308 Ca 0.62 1.08 -0.02 0.00 -0.80 0.00 0.00 55.06 55.94 3ddm s HIS 308 Cb -0.10 0.37 0.04 0.00 -1.43 0.00 0.00 32.58 31.45 3ddm s HIS 308 CO 0.48 -0.57 0.11 -0.47 -2.00 0.00 0.00 174.74 172.29 3ddm s TYR 309 N -1.11 -0.07 -0.61 0.38 5.04 -1.16 -4.82 117.35 115.00 3ddm s TYR 309 Ca -0.11 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 3ddm s TYR 309 Cb -0.01 -0.31 0.43 0.00 0.35 0.00 0.00 41.96 42.42 3ddm s TYR 309 CO 0.09 -0.21 1.80 1.28 -1.34 0.00 0.00 175.55 177.16 3ddm n LEU 310 N 5.06 6.90 0.00 6.97 7.99 -1.26 -4.26 117.00 138.40 3ddm n LEU 310 Ca -0.09 -4.55 0.00 0.00 -0.01 0.00 0.00 56.01 51.36 3ddm n LEU 310 Cb 0.50 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 3ddm n LEU 310 CO 0.08 1.71 0.00 0.61 -1.51 0.00 0.00 177.39 178.28 3ddm n GLY 311 N -0.78 5.10 3.75 -0.72 0.00 -1.26 -4.99 105.19 106.29 3ddm n GLY 311 Ca 0.56 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 1.53 0.49 4.61 0.00 -1.26 -4.57 121.76 120.55 3ddm s ALA 312 Ca 0.00 -0.40 0.17 0.00 0.00 0.00 0.00 51.96 51.73 3ddm s ALA 312 Cb 0.00 -3.08 1.19 0.00 0.00 0.00 0.00 23.12 21.22 3ddm s ALA 312 CO 0.00 -2.42 2.05 0.78 0.00 0.00 0.00 175.76 176.18 3ddm h GLY 313 N -1.59 0.23 0.73 0.00 0.00 -1.17 -2.92 103.07 98.35 3ddm h GLY 313 Ca -0.51 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 46.78 3ddm h GLY 313 CO 0.60 0.05 0.15 -2.22 0.00 0.00 0.00 176.54 175.12 3ddm h ILE 314 N 0.18 0.92 -0.17 2.60 1.08 -1.84 0.44 117.51 120.73 3ddm h ILE 314 Ca 0.16 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 64.45 3ddm h ILE 314 Cb 0.40 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 3ddm h ILE 314 CO -0.03 0.06 -0.20 1.23 -0.69 0.00 0.00 178.15 178.52 3ddm h GLY 315 N 0.32 0.31 0.79 5.37 0.00 -1.87 -1.47 103.07 106.53 3ddm h GLY 315 Ca 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3ddm h GLY 315 CO -0.15 0.20 -0.11 -2.00 0.00 0.00 0.00 176.54 174.48 3ddm h LEU 316 N 0.26 0.42 -0.84 3.11 5.85 -1.13 -2.08 115.31 120.90 3ddm h LEU 316 Ca 0.05 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.37 3ddm h LEU 316 Cb 0.51 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3ddm h LEU 316 CO 0.03 0.76 0.54 1.56 -0.34 0.00 0.00 178.44 180.99 3ddm h GLN 317 N 0.08 1.02 -0.56 1.25 1.08 0.09 -0.06 115.11 118.01 3ddm h GLN 317 Ca 0.04 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 3ddm h GLN 317 Cb 0.61 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 3ddm h GLN 317 CO 0.03 0.67 0.34 0.00 -0.95 0.00 0.00 178.83 178.93 3ddm h ALA 318 N 1.35 0.73 -0.10 3.87 0.00 -1.16 -0.95 119.26 122.99 3ddm h ALA 318 Ca 0.33 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 3ddm h ALA 318 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ddm h ALA 318 CO -0.11 0.07 -0.53 0.77 0.00 0.00 0.00 179.25 179.45 3ddm h SER 319 N 0.68 0.33 -0.72 0.00 0.02 -0.82 -1.77 113.55 111.26 3ddm h SER 319 Ca 0.23 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3ddm h SER 319 Cb 0.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3ddm h SER 319 CO -0.09 0.80 0.32 0.00 -1.14 0.00 0.00 176.83 176.72 3ddm h ALA 320 N 1.21 1.18 -0.28 3.77 0.00 -0.23 0.49 119.26 125.40 3ddm h ALA 320 Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3ddm h ALA 320 Cb 1.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ddm h ALA 320 CO 0.09 0.61 -0.31 0.45 0.00 0.00 0.00 179.25 180.08 3ddm h HIS 321 N 1.06 0.86 -0.53 0.00 3.86 -0.96 -0.75 115.15 118.69 3ddm h HIS 321 Ca 0.25 -0.27 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3ddm h HIS 321 Cb 0.15 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3ddm h HIS 321 CO 0.01 1.02 0.06 1.25 0.86 0.00 0.00 177.93 181.13 3ddm h LEU 322 N 0.46 0.87 -0.58 2.43 5.85 -0.97 -1.05 115.31 122.32 3ddm h LEU 322 Ca 0.04 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3ddm h LEU 322 Cb 0.89 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3ddm h LEU 322 CO 0.08 0.93 0.28 0.25 -0.34 0.00 0.00 178.44 179.64 3ddm h LEU 323 N 0.79 0.76 -1.17 2.25 5.85 -0.87 0.55 115.31 123.48 3ddm h LEU 323 Ca 0.16 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3ddm h LEU 323 Cb 0.45 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3ddm h LEU 323 CO 0.02 0.68 0.58 0.00 -0.34 0.00 0.00 178.44 179.38 3ddm h ALA 324 N 1.11 1.54 0.00 1.25 0.00 -0.76 -0.65 119.26 121.75 3ddm h ALA 324 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3ddm h ALA 324 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ddm h ALA 324 CO -0.02 0.32 -0.37 0.00 0.00 0.00 0.00 179.25 179.18 3ddm h ALA 325 N 1.52 0.92 -2.04 0.00 0.00 -0.25 -3.35 119.26 116.05 3ddm h ALA 325 Ca 0.39 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 3ddm h ALA 325 Cb 0.23 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.56 3ddm h ALA 325 CO -0.15 0.46 -1.00 0.28 0.00 0.00 0.00 179.25 178.84 3ddm n VAL 326 N -3.41 -0.02 0.32 0.00 0.31 0.10 -4.52 118.33 111.10 3ddm n VAL 326 Ca 0.00 -4.28 0.14 0.00 -0.01 0.00 0.00 64.34 60.19 3ddm n VAL 326 Cb 0.55 -1.96 0.63 0.00 -0.91 0.00 0.00 33.84 32.14 3ddm n VAL 326 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ddm h PRO 327 N 4.02 0.00 0.00 5.55 0.13 -1.31 -3.44 132.00 136.95 3ddm h PRO 327 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ddm h PRO 327 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3ddm h PRO 327 CO 0.54 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 3ddm n GLY 328 N -0.29 0.26 0.00 1.56 0.00 -1.26 -1.10 105.19 104.35 3ddm n GLY 328 Ca 0.01 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.84 0.00 0.05 0.99 4.77 -1.26 -4.73 117.00 115.98 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 0.36 0.00 -2.33 0.00 0.00 43.42 41.45 3ddm n LEU 329 CO 0.00 0.00 0.94 0.00 -1.33 0.00 0.00 177.39 177.00 3ddm h ALA 330 N -0.29 1.47 -3.13 -1.18 0.00 -1.96 -3.35 119.26 110.83 3ddm h ALA 330 Ca 0.00 -0.18 -0.62 0.00 0.00 0.00 0.00 54.91 54.11 3ddm h ALA 330 Cb 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.27 3ddm h ALA 330 CO 0.00 0.38 -0.70 -1.54 0.00 0.00 0.00 179.25 177.38 3ddm s SER 331 N -6.80 3.88 0.59 0.00 1.04 -1.26 -5.12 113.70 106.04 3ddm s SER 331 Ca -0.07 -2.71 -0.18 0.00 0.48 0.00 0.00 55.95 53.47 3ddm s SER 331 Cb 0.16 -1.23 -0.09 0.00 0.10 0.00 0.00 66.02 64.96 3ddm s SER 331 CO 0.75 -0.26 0.40 -2.65 0.98 0.00 0.00 173.24 172.46 3ddm n PRO 332 N 3.45 0.39 -3.89 4.02 -0.02 -1.26 -4.71 135.00 132.99 3ddm n PRO 332 Ca 0.07 0.16 -0.25 0.00 -2.02 0.00 0.00 63.50 61.46 3ddm n PRO 332 Cb 0.34 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 3ddm n PRO 332 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ddm s GLY 333 N -1.19 1.62 0.05 -1.23 0.00 -0.26 -4.91 107.32 101.40 3ddm s GLY 333 Ca 0.66 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 44.42 3ddm s GLY 333 CO 0.57 -1.02 -0.19 1.08 0.00 0.00 0.00 173.10 173.54 3ddm s LEU 334 N -3.41 2.18 -0.22 0.66 1.43 -1.26 -4.46 118.68 113.59 3ddm s LEU 334 Ca 0.35 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3ddm s LEU 334 Cb -0.11 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 3ddm s LEU 334 CO 0.29 0.11 0.35 -0.22 0.23 0.00 0.00 176.35 177.11 3ddm s LEU 335 N -1.24 4.13 -0.14 1.79 0.20 -0.80 -3.84 118.68 118.78 3ddm s LEU 335 Ca 0.06 0.40 -0.28 0.00 0.69 0.00 0.00 54.13 55.00 3ddm s LEU 335 Cb -0.09 -2.42 -0.01 0.00 -0.43 0.00 0.00 46.19 43.24 3ddm s LEU 335 CO 0.02 -0.06 0.94 -0.83 -0.29 0.00 0.00 176.35 176.13 3ddm s GLY 336 N 1.13 2.22 -0.16 7.98 0.00 -0.89 -1.21 107.32 116.39 3ddm s GLY 336 Ca 0.16 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 3ddm s GLY 336 CO 0.07 1.84 -0.10 0.14 0.00 0.00 0.00 173.10 175.06 3ddm s VAL 337 N 2.13 3.23 -0.08 1.40 1.01 0.05 -2.97 120.40 125.17 3ddm s VAL 337 Ca 0.44 -0.58 -0.35 0.00 0.00 0.00 0.00 61.98 61.49 3ddm s VAL 337 Cb -0.17 -2.40 -0.13 0.00 0.00 0.00 0.00 36.38 33.68 3ddm s VAL 337 CO 0.15 0.49 1.80 -0.67 0.00 0.00 0.00 175.10 176.87 3ddm n ASP 338 N 3.88 3.17 0.24 3.32 2.03 -1.26 0.07 116.55 127.99 3ddm n ASP 338 Ca -0.18 1.01 0.13 0.00 0.52 0.00 0.00 54.79 56.27 3ddm n ASP 338 Cb 0.52 -1.34 0.34 0.00 -0.72 0.00 0.00 41.12 39.92 3ddm n ASP 338 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ddm h ALA 339 N 8.26 0.99 -2.40 -1.67 0.00 -0.88 -3.45 119.26 120.11 3ddm h ALA 339 Ca -0.48 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 53.93 3ddm h ALA 339 Cb 1.28 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.13 3ddm h ALA 339 CO 0.94 0.02 0.39 -0.80 0.00 0.00 0.00 179.25 179.80 3ddm s ASN 340 N -6.05 5.85 0.30 0.00 -0.87 -1.26 -4.99 114.94 107.92 3ddm s ASN 340 Ca 0.05 1.93 -0.29 0.00 -1.57 0.00 0.00 52.86 52.98 3ddm s ASN 340 Cb 0.06 -2.55 -0.10 0.00 -0.02 0.00 0.00 41.25 38.64 3ddm s ASN 340 CO 0.63 -1.12 1.26 -1.81 -2.57 0.00 0.00 177.10 173.48 3ddm s ASP 341 N -2.36 6.91 -0.33 -1.22 1.11 -1.26 -5.00 116.67 114.52 3ddm s ASP 341 Ca 0.67 2.56 -0.04 0.00 0.18 0.00 0.00 52.55 55.91 3ddm s ASP 341 Cb -0.18 -2.64 0.19 0.00 1.07 0.00 0.00 42.92 41.36 3ddm s ASP 341 CO 0.31 -0.44 0.89 0.21 1.18 0.00 0.00 175.17 177.32 3ddm s ASN 342 N -0.49 -0.80 0.55 0.27 3.04 -1.26 -5.02 114.94 111.23 3ddm s ASN 342 Ca 0.49 -0.20 0.32 0.00 0.04 0.00 0.00 52.86 53.50 3ddm s ASN 342 Cb -0.38 1.21 1.47 0.00 -1.54 0.00 0.00 41.25 42.02 3ddm s ASN 342 CO 0.48 -0.11 1.85 -0.65 -3.04 0.00 0.00 177.10 175.63 3ddm h PRO 343 N 6.60 0.00 0.00 0.43 0.11 -1.97 0.25 132.00 137.42 3ddm h PRO 343 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3ddm h PRO 343 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ddm h PRO 343 CO -0.01 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.06 3ddm n LEU 344 N -4.07 0.33 -0.10 2.35 4.77 -1.26 -0.66 117.00 118.36 3ddm n LEU 344 Ca 0.18 0.60 -0.11 0.00 -0.03 0.00 0.00 56.01 56.65 3ddm n LEU 344 Cb 0.97 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 3ddm n LEU 344 CO 0.36 -0.53 -1.13 -1.14 -1.33 0.00 0.00 177.39 173.62 3ddm n ARG 345 N -1.89 0.92 -0.03 3.23 0.63 0.85 -0.99 116.66 119.38 3ddm n ARG 345 Ca 0.02 0.05 -0.16 0.00 -0.92 0.00 0.00 57.85 56.83 3ddm n ARG 345 Cb 0.14 -1.45 -0.08 0.00 0.45 0.00 0.00 32.46 31.53 3ddm n ARG 345 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 3ddm h SER 346 N 0.00 0.76 0.83 6.15 0.02 -1.26 -2.30 113.55 117.75 3ddm h SER 346 Ca -0.48 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 59.84 3ddm h SER 346 Cb 1.95 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.27 3ddm h SER 346 CO -0.02 1.26 0.00 0.18 -1.14 0.00 0.00 176.83 177.12 3ddm n LEU 347 N -4.12 0.06 -0.00 5.07 4.77 0.17 -3.53 117.00 119.42 3ddm n LEU 347 Ca -0.08 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3ddm n LEU 347 Cb 0.65 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3ddm n LEU 347 CO 0.49 -0.12 0.45 0.18 -1.33 0.00 0.00 177.39 177.07 3ddm n LEU 348 N -1.56 1.63 -3.27 2.23 4.77 -1.21 -4.86 117.00 114.73 3ddm n LEU 348 Ca 0.05 -1.66 -0.25 0.00 -0.03 0.00 0.00 56.01 54.13 3ddm n LEU 348 Cb 0.28 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3ddm n LEU 348 CO 0.22 0.41 -0.11 -0.24 -1.33 0.00 0.00 177.39 176.34 3ddm n SER 349 N -0.43 1.95 -0.25 -1.43 2.88 -0.87 -3.63 113.62 111.83 3ddm n SER 349 Ca 0.00 -3.08 0.28 0.00 -1.33 0.00 0.00 58.87 54.74 3ddm n SER 349 Cb 0.31 -0.65 0.67 0.00 -0.75 0.00 0.00 64.21 63.79 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 3.94 0.12 0.00 -1.46 0.13 -1.87 -0.88 132.00 131.98 3ddm h PRO 350 Ca 0.13 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 3ddm h PRO 350 Cb 0.77 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 3ddm h PRO 350 CO 0.64 0.08 -0.12 0.00 -0.23 0.00 0.00 178.00 178.37 3ddm h ALA 351 N 1.53 1.30 0.00 -0.56 0.00 -1.92 -2.19 119.26 117.43 3ddm h ALA 351 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3ddm h ALA 351 Cb 1.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3ddm h ALA 351 CO -0.08 0.15 0.00 -0.07 0.00 0.00 0.00 179.25 179.25 3ddm h LEU 352 N 0.00 0.00 -0.40 0.00 3.38 -1.50 -1.77 115.31 115.02 3ddm h LEU 352 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddm h LEU 352 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ddm h LEU 352 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3ddm n ALA 353 N -2.01 1.91 1.34 1.53 0.00 -0.82 -2.50 120.51 119.95 3ddm n ALA 353 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3ddm n ALA 353 Cb 0.19 -1.42 0.40 0.00 0.00 0.00 0.00 19.45 18.62 3ddm n ALA 353 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ddm n THR 354 N -2.21 0.00 -1.39 0.00 -2.24 -0.67 -4.93 114.28 102.85 3ddm n THR 354 Ca 0.04 -0.25 -0.55 0.00 -2.27 0.00 0.00 64.05 61.02 3ddm n THR 354 Cb 0.31 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.11 1.63 -3.57 3.22 7.94 -1.04 -4.62 117.00 120.67 3ddm n LEU 355 Ca 0.16 0.56 -0.13 0.00 -1.11 0.00 0.00 56.01 55.49 3ddm n LEU 355 Cb 0.39 -1.12 -0.12 0.00 0.53 0.00 0.00 43.42 43.11 3ddm n LEU 355 CO 0.19 -0.73 -0.11 -2.28 -1.11 0.00 0.00 177.39 173.36 3ddm s HIS 356 N 6.56 -0.53 -0.93 1.96 5.65 -0.38 -4.81 115.29 122.80 3ddm s HIS 356 Ca 1.13 0.88 -0.01 0.00 0.25 0.00 0.00 55.06 57.31 3ddm s HIS 356 Cb -1.11 -0.04 0.00 0.00 -1.18 0.00 0.00 32.58 30.25 3ddm s HIS 356 CO 0.57 -0.49 0.78 -1.91 -0.65 0.00 0.00 174.74 173.04 3ddm n GLU 357 N 5.35 -5.21 -1.21 2.88 0.00 -1.26 -3.26 120.64 117.93 3ddm n GLU 357 Ca -0.06 0.64 -0.07 0.00 0.00 0.00 0.00 57.16 57.67 3ddm n GLU 357 Cb 0.50 -5.06 -0.03 0.00 0.00 0.00 0.00 31.44 26.84 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 -1.19 0.91 3.41 8.31 0.00 0.35 -4.95 105.19 112.04 3ddm n GLY 358 Ca -0.18 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3ddm n GLY 358 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ddm s ARG 359 N -2.34 1.10 0.37 1.61 1.70 -1.20 -2.18 118.95 118.00 3ddm s ARG 359 Ca 0.00 -0.24 0.08 0.00 -0.47 0.00 0.00 55.73 55.10 3ddm s ARG 359 Cb 0.00 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.82 3ddm s ARG 359 CO 0.00 -0.42 -0.05 0.96 -1.08 0.00 0.00 175.30 174.72 3ddm s ILE 360 N -2.65 2.08 -0.12 4.99 -4.36 0.16 -1.25 121.20 120.05 3ddm s ILE 360 Ca -0.04 -2.11 0.03 0.00 -0.26 0.00 0.00 60.65 58.27 3ddm s ILE 360 Cb -0.00 -2.78 0.01 0.00 1.25 0.00 0.00 42.46 40.93 3ddm s ILE 360 CO -0.03 -0.12 -0.22 -0.89 0.24 0.00 0.00 174.94 173.91 3ddm s THR 361 N -2.70 1.99 -0.08 8.37 2.01 -1.26 -1.62 115.64 122.36 3ddm s THR 361 Ca 0.33 -0.96 0.13 0.00 0.31 0.00 0.00 61.69 61.50 3ddm s THR 361 Cb 0.06 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3ddm s THR 361 CO 0.17 0.54 1.35 -0.07 -0.69 0.00 0.00 174.62 175.92 3ddm h LEU 362 N 7.02 0.00 0.00 4.42 3.38 -1.19 -3.44 115.31 125.50 3ddm h LEU 362 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3ddm h LEU 362 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ddm h LEU 362 CO 0.51 0.65 -0.02 0.61 0.09 0.00 0.00 178.44 180.28 3ddm n GLY 363 N 1.28 -2.07 0.62 0.83 0.00 -1.26 -4.61 105.19 99.98 3ddm n GLY 363 Ca 0.00 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.46 3.20 3.78 -0.02 0.00 -1.26 -4.89 105.19 105.54 3ddm n GLY 364 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.55 3.55 0.37 4.61 0.00 -1.26 -4.17 121.76 123.30 3ddm s ALA 365 Ca 0.26 1.48 -0.28 0.00 0.00 0.00 0.00 51.96 53.43 3ddm s ALA 365 Cb 0.17 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 3ddm s ALA 365 CO 0.12 -0.94 1.42 -2.14 0.00 0.00 0.00 175.76 174.22 3ddm s PRO 366 N -2.01 4.16 4.25 0.00 0.02 -1.26 -3.58 135.00 136.57 3ddm s PRO 366 Ca 0.52 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3ddm s PRO 366 Cb -0.45 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3ddm s PRO 366 CO 0.60 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 3ddm n GLY 367 N 0.58 0.65 0.17 0.52 0.00 -0.29 -3.49 105.19 103.32 3ddm n GLY 367 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.20 0.99 3.38 -1.85 -0.70 115.31 116.92 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 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.60 3ddm n GLY 369 N -0.20 0.84 3.64 0.83 0.00 -1.23 -4.92 105.19 104.17 3ddm n GLY 369 Ca -0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.20 0.00 -0.23 1.61 0.11 -1.26 -4.80 120.40 113.62 3ddm s VAL 370 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3ddm s VAL 370 Cb 0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 3ddm s VAL 370 CO 0.00 0.00 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.76 3ddm s THR 371 N 1.15 2.01 0.37 5.04 2.01 -1.26 -4.93 115.64 120.03 3ddm s THR 371 Ca -0.07 -1.36 -0.28 0.00 0.31 0.00 0.00 61.69 60.29 3ddm s THR 371 Cb -0.04 -2.06 -0.11 0.00 0.01 0.00 0.00 72.50 70.30 3ddm s THR 371 CO -0.13 0.11 1.40 -0.81 -0.69 0.00 0.00 174.62 174.50 3ddm n PRO 372 N 4.53 2.41 -3.35 4.92 -0.04 -1.26 -4.94 135.00 137.27 3ddm n PRO 372 Ca -0.15 0.85 -0.46 0.00 -0.04 0.00 0.00 63.50 63.69 3ddm n PRO 372 Cb 0.45 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 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 -0.24 6.56 0.21 3.54 -1.08 -1.26 -4.95 116.67 119.44 3ddm s ASP 373 Ca 0.55 -2.51 -0.11 0.00 -0.52 0.00 0.00 52.55 49.96 3ddm s ASP 373 Cb -0.51 -2.19 0.28 0.00 -1.46 0.00 0.00 42.92 39.04 3ddm s ASP 373 CO 0.62 -0.62 1.68 -0.07 0.52 0.00 0.00 175.17 177.30 3ddm h LEU 374 N 7.97 -0.16 -0.41 -1.34 3.38 -1.99 -0.90 115.31 121.86 3ddm h LEU 374 Ca 0.01 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3ddm h LEU 374 Cb 1.05 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3ddm h LEU 374 CO 0.81 -0.06 0.21 0.00 0.09 0.00 0.00 178.44 179.49 3ddm h ALA 375 N 1.51 0.51 0.00 1.53 0.00 -2.00 -0.80 119.26 120.01 3ddm h ALA 375 Ca 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3ddm h ALA 375 Cb 0.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ddm h ALA 375 CO -0.46 -0.14 -0.07 0.00 0.00 0.00 0.00 179.25 178.58 3ddm h ALA 376 N 1.21 1.16 0.15 0.00 0.00 -1.72 -2.56 119.26 117.49 3ddm h ALA 376 Ca 0.17 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.72 3ddm h ALA 376 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ddm h ALA 376 CO -0.11 0.08 -1.50 -0.07 0.00 0.00 0.00 179.25 177.65 3ddm h LEU 377 N 0.00 0.49 -1.62 0.00 3.38 -0.09 -3.12 115.31 114.36 3ddm h LEU 377 Ca -0.00 -0.90 -0.04 0.00 0.09 0.00 0.00 57.88 57.03 3ddm h LEU 377 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ddm h LEU 377 CO 0.01 1.67 -0.20 0.08 0.09 0.00 0.00 178.44 180.09 3ddm h ARG 378 N -0.14 0.00 0.02 1.13 0.11 -1.09 -2.47 114.38 111.94 3ddm h ARG 378 Ca -0.31 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.77 3ddm h ARG 378 Cb 1.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.97 3ddm h ARG 378 CO 0.12 0.20 -0.01 0.00 0.10 0.00 0.00 179.97 180.38 3ddm h ALA 379 N 1.80 -0.03 0.00 0.08 0.00 -1.55 -2.25 119.26 117.32 3ddm h ALA 379 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ddm h ALA 379 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ddm h ALA 379 CO 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.92 3ddm n ALA 380 N -2.27 1.27 0.51 0.00 0.00 -0.95 -5.13 120.51 113.94 3ddm n ALA 380 Ca -0.08 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3ddm n ALA 380 Cb 0.18 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.65 3ddm n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50