#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddp n MET 1 N 0.00 2.64 0.27 1.43 0.00 -1.26 -4.12 117.12 116.07 3ddp n MET 1 Ca 0.00 -1.68 0.16 0.00 0.00 0.00 0.00 57.70 56.17 3ddp n MET 1 Cb 0.00 -1.65 0.88 0.00 0.00 0.00 0.00 33.22 32.46 3ddp n MET 1 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3ddp h GLU 2 N 2.40 0.00 -0.17 0.03 4.81 -2.05 -1.17 114.58 118.43 3ddp h GLU 2 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ddp h GLU 2 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3ddp h GLU 2 CO 0.15 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.52 3ddp n ASN 3 N -3.84 2.67 -4.14 1.04 3.02 -1.26 -4.83 115.26 107.92 3ddp n ASN 3 Ca -0.01 -1.87 -0.33 0.00 -0.03 0.00 0.00 54.58 52.34 3ddp n ASN 3 Cb 0.17 -0.10 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 3ddp n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ddp s PHE 4 N -1.79 2.93 -0.25 3.10 0.08 -0.44 -0.33 117.98 121.28 3ddp s PHE 4 Ca 0.34 -1.70 -0.14 0.00 0.12 0.00 0.00 56.93 55.55 3ddp s PHE 4 Cb 0.21 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 3ddp s PHE 4 CO 0.30 -0.79 0.32 -1.14 -0.10 0.00 0.00 175.22 173.82 3ddp s GLN 5 N 1.28 4.06 0.04 0.44 2.00 -0.43 -4.93 119.66 122.12 3ddp s GLN 5 Ca 0.02 -0.01 -0.31 0.00 -2.00 0.00 0.00 55.36 53.06 3ddp s GLN 5 Cb -0.15 -3.61 -0.06 0.00 0.80 0.00 0.00 33.01 29.99 3ddp s GLN 5 CO -0.09 -0.15 1.41 0.15 -0.50 0.00 0.00 175.29 176.11 3ddp s LYS 6 N 1.68 4.29 -0.08 1.67 1.02 -1.26 -0.74 119.74 126.32 3ddp s LYS 6 Ca 0.14 2.02 -0.04 0.00 0.02 0.00 0.00 55.97 58.11 3ddp s LYS 6 Cb -0.15 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 3ddp s LYS 6 CO 0.09 -0.53 -0.08 0.28 -0.92 0.00 0.00 175.35 174.19 3ddp h VAL 7 N 4.69 0.00 -3.17 3.17 2.07 -1.02 -3.48 116.25 118.51 3ddp h VAL 7 Ca -0.40 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3ddp h VAL 7 Cb 1.19 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3ddp h VAL 7 CO 0.89 0.00 0.12 -1.83 0.02 0.00 0.00 177.57 176.77 3ddp s GLU 8 N -1.67 1.54 0.14 1.57 -1.05 -1.07 -5.01 118.70 113.16 3ddp s GLU 8 Ca -0.07 -0.89 -0.25 0.00 -0.15 0.00 0.00 54.97 53.62 3ddp s GLU 8 Cb 0.01 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.19 3ddp s GLU 8 CO 0.10 -0.68 0.75 0.21 0.95 0.00 0.00 175.26 176.59 3ddp s LYS 9 N -3.89 4.52 -0.00 -4.83 2.20 -1.26 0.03 119.74 116.51 3ddp s LYS 9 Ca 0.10 1.10 0.02 0.00 -0.36 0.00 0.00 55.97 56.83 3ddp s LYS 9 Cb -0.03 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 3ddp s LYS 9 CO 0.01 0.54 0.04 0.44 -0.36 0.00 0.00 175.35 176.02 3ddp n ILE 10 N 1.77 0.00 -0.71 5.43 -5.35 -0.51 -4.87 119.36 115.12 3ddp n ILE 10 Ca -0.06 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3ddp n ILE 10 Cb 0.49 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 3ddp n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ddp n GLY 11 N 2.13 -2.34 0.00 3.28 0.00 -1.20 -5.03 105.19 102.03 3ddp n GLY 11 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3ddp n GLY 11 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ddp n GLU 12 N -0.64 2.02 -1.08 1.61 2.13 -1.26 -1.33 120.64 122.09 3ddp n GLU 12 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 3ddp n GLU 12 Cb 0.00 -0.19 -0.06 0.00 0.27 0.00 0.00 31.44 31.45 3ddp n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ddp n GLY 13 N 0.20 0.06 7.00 8.31 0.00 -1.26 -4.48 105.19 115.01 3ddp n GLY 13 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3ddp n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ddp n THR 14 N 2.20 0.00 -2.33 2.61 -1.04 -1.26 -4.84 114.28 109.61 3ddp n THR 14 Ca 0.18 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.84 3ddp n THR 14 Cb -0.02 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.48 3ddp n THR 14 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 3ddp s TYR 15 N 0.00 2.81 0.35 -1.42 -0.85 -1.26 -4.90 117.35 112.08 3ddp s TYR 15 Ca 0.00 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 3ddp s TYR 15 Cb 0.00 -3.26 0.00 0.00 0.38 0.00 0.00 41.96 39.08 3ddp s TYR 15 CO 0.00 -1.36 0.00 0.41 -1.52 0.00 0.00 175.55 173.08 3ddp n GLY 16 N 0.16 -2.21 3.68 5.49 0.00 -1.26 -4.94 105.19 106.11 3ddp n GLY 16 Ca 0.10 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 3ddp n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddp s VAL 17 N -2.60 4.15 -0.19 1.61 1.01 -1.00 -4.61 120.40 118.76 3ddp s VAL 17 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3ddp s VAL 17 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3ddp s VAL 17 CO 0.00 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 174.86 3ddp s VAL 18 N -1.05 4.46 0.12 2.92 1.01 -0.44 -1.02 120.40 126.39 3ddp s VAL 18 Ca 0.18 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3ddp s VAL 18 Cb -0.11 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3ddp s VAL 18 CO 0.09 0.44 -0.04 -0.31 0.00 0.00 0.00 175.10 175.28 3ddp s TYR 19 N 0.68 2.86 -0.13 5.22 1.51 0.35 -1.42 117.35 126.43 3ddp s TYR 19 Ca 0.02 -0.10 -0.20 0.00 -1.01 0.00 0.00 57.07 55.78 3ddp s TYR 19 Cb -0.14 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 3ddp s TYR 19 CO 0.02 0.47 0.55 0.21 -1.11 0.00 0.00 175.55 175.69 3ddp s LYS 20 N -2.44 4.32 0.16 -0.62 2.20 0.10 0.05 119.74 123.52 3ddp s LYS 20 Ca 0.25 0.55 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 3ddp s LYS 20 Cb -0.11 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 3ddp s LYS 20 CO 0.17 0.05 -0.08 0.00 -0.36 0.00 0.00 175.35 175.12 3ddp s ALA 21 N 0.96 1.53 -0.11 3.13 0.00 0.71 -0.33 121.76 127.66 3ddp s ALA 21 Ca 0.28 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.73 3ddp s ALA 21 Cb -0.16 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3ddp s ALA 21 CO 0.12 -0.13 -0.23 0.50 0.00 0.00 0.00 175.76 176.02 3ddp s ARG 22 N -3.77 3.05 -0.04 0.00 3.52 0.08 0.03 118.95 121.83 3ddp s ARG 22 Ca 0.19 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.62 3ddp s ARG 22 Cb 0.03 -2.34 -0.06 0.00 -1.56 0.00 0.00 34.95 31.03 3ddp s ARG 22 CO 0.02 0.14 1.62 1.21 -0.81 0.00 0.00 175.30 177.49 3ddp s ASN 23 N 0.44 6.68 0.34 -2.12 3.84 0.09 -1.31 114.94 122.90 3ddp s ASN 23 Ca -0.16 2.24 0.16 0.00 0.21 0.00 0.00 52.86 55.30 3ddp s ASN 23 Cb -0.17 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.56 3ddp s ASN 23 CO 0.07 -0.90 1.70 0.11 -2.79 0.00 0.00 177.10 175.28 3ddp h LYS 24 N 9.24 0.00 0.10 0.43 1.57 -1.01 -2.05 116.57 124.85 3ddp h LYS 24 Ca -0.39 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.02 3ddp h LYS 24 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3ddp h LYS 24 CO 0.95 0.45 -2.07 1.28 -0.57 0.00 0.00 179.45 179.49 3ddp n LEU 25 N -3.64 2.63 -0.02 2.94 4.77 -1.26 -4.45 117.00 117.97 3ddp n LEU 25 Ca -0.01 0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 3ddp n LEU 25 Cb 0.54 -1.04 -0.12 0.00 -2.33 0.00 0.00 43.42 40.46 3ddp n LEU 25 CO 0.39 0.85 -0.61 0.35 -1.33 0.00 0.00 177.39 177.04 3ddp n THR 26 N -3.43 1.25 -0.41 -5.08 -2.24 -1.25 -4.98 114.28 98.15 3ddp n THR 26 Ca -0.34 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 3ddp n THR 26 Cb 1.04 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3ddp n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddp n GLY 27 N 1.52 0.71 3.74 3.38 0.00 -0.77 -5.06 105.19 108.70 3ddp n GLY 27 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3ddp n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ddp s GLU 28 N -0.59 4.40 -0.08 1.61 2.12 -1.25 -4.74 118.70 120.16 3ddp s GLU 28 Ca 0.00 2.03 -0.23 0.00 0.36 0.00 0.00 54.97 57.13 3ddp s GLU 28 Cb 0.00 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 3ddp s GLU 28 CO 0.00 -0.24 0.69 0.08 -0.54 0.00 0.00 175.26 175.24 3ddp s VAL 29 N 0.16 5.05 0.24 3.70 1.01 -1.26 -0.73 120.40 128.56 3ddp s VAL 29 Ca 0.57 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.97 3ddp s VAL 29 Cb -0.36 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3ddp s VAL 29 CO 0.37 0.24 0.03 0.68 0.00 0.00 0.00 175.10 176.43 3ddp s VAL 30 N 0.90 0.83 -0.15 2.92 -7.23 0.10 -3.64 120.40 114.14 3ddp s VAL 30 Ca 0.36 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 3ddp s VAL 30 Cb -0.17 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 3ddp s VAL 30 CO 0.17 -0.22 -0.13 0.00 -0.31 0.00 0.00 175.10 174.61 3ddp s ALA 31 N -3.56 2.61 -0.22 1.32 0.00 -0.53 -0.21 121.76 121.17 3ddp s ALA 31 Ca 0.31 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 3ddp s ALA 31 Cb 0.07 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 3ddp s ALA 31 CO 0.10 0.07 0.03 -0.51 0.00 0.00 0.00 175.76 175.45 3ddp s LEU 32 N 0.65 3.39 -0.26 0.00 1.43 0.11 -0.83 118.68 123.16 3ddp s LEU 32 Ca -0.07 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 3ddp s LEU 32 Cb -0.15 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3ddp s LEU 32 CO 0.03 0.04 0.43 -0.54 0.23 0.00 0.00 176.35 176.53 3ddp s LYS 33 N 1.17 4.05 -0.12 1.70 1.02 0.06 -0.49 119.74 127.12 3ddp s LYS 33 Ca 0.04 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.20 3ddp s LYS 33 Cb -0.14 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3ddp s LYS 33 CO 0.02 -0.29 -0.17 0.21 -0.92 0.00 0.00 175.35 174.20 3ddp s LYS 34 N 2.11 3.25 -0.07 1.68 2.36 -0.19 -0.37 119.74 128.50 3ddp s LYS 34 Ca 0.17 -0.76 0.04 0.00 -2.55 0.00 0.00 55.97 52.87 3ddp s LYS 34 Cb -0.16 -2.51 -0.02 0.00 -1.05 0.00 0.00 37.83 34.10 3ddp s LYS 34 CO 0.09 0.19 -0.20 0.42 1.55 0.00 0.00 175.35 177.41 3ddp s ILE 35 N 0.38 2.54 0.32 5.43 1.09 -0.89 -2.38 121.20 127.69 3ddp s ILE 35 Ca -0.14 -0.89 0.04 0.00 -1.10 0.00 0.00 60.65 58.56 3ddp s ILE 35 Cb -0.17 -1.98 -0.02 0.00 -1.06 0.00 0.00 42.46 39.24 3ddp s ILE 35 CO 0.07 0.57 0.48 -0.60 -0.10 0.00 0.00 174.94 175.35 3ddp s ARG 36 N -0.18 3.30 -0.30 2.79 3.52 -1.26 -1.76 118.95 125.06 3ddp s ARG 36 Ca -0.02 -0.70 -0.20 0.00 -0.13 0.00 0.00 55.73 54.68 3ddp s ARG 36 Cb -0.14 -2.77 0.19 0.00 -1.56 0.00 0.00 34.95 30.67 3ddp s ARG 36 CO 0.03 0.16 1.27 -0.48 -0.81 0.00 0.00 175.30 175.48 3ddp s LEU 37 N -4.19 -0.14 0.00 -0.88 2.34 -1.12 -4.37 118.68 110.32 3ddp s LEU 37 Ca 0.40 0.24 0.00 0.00 0.06 0.00 0.00 54.13 54.84 3ddp s LEU 37 Cb -0.09 1.23 0.00 0.00 -0.56 0.00 0.00 46.19 46.77 3ddp s LEU 37 CO 0.32 -0.04 0.00 -0.90 -1.06 0.00 0.00 176.35 174.67 3ddp n ASP 38 N 2.57 0.00 0.00 1.48 5.68 -1.26 -4.64 116.55 120.38 3ddp n ASP 38 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 3ddp n ASP 38 Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3ddp n ASP 38 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3ddp n THR 39 N 0.00 0.00 -3.29 2.12 5.66 -1.26 -4.60 114.28 112.91 3ddp n THR 39 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 3ddp n THR 39 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 3ddp n THR 39 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3ddp s GLU 40 N 0.00 0.73 0.00 1.09 2.56 -1.26 -4.87 118.70 116.94 3ddp s GLU 40 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.97 54.27 3ddp s GLU 40 Cb 0.00 -0.44 0.00 0.00 2.00 0.00 0.00 34.13 35.69 3ddp s GLU 40 CO 0.00 -1.21 0.00 0.25 -0.56 0.00 0.00 175.26 173.74 3ddp n THR 41 N 4.21 0.00 -3.78 -1.70 -2.24 -1.26 -5.08 114.28 104.44 3ddp n THR 41 Ca 0.12 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.55 3ddp n THR 41 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 3ddp n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ddp s GLU 42 N 1.68 2.46 2.76 -0.78 2.02 -1.26 -5.02 118.70 120.55 3ddp s GLU 42 Ca 0.00 -2.63 0.00 0.00 0.02 0.00 0.00 54.97 52.36 3ddp s GLU 42 Cb 0.00 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.60 3ddp s GLU 42 CO 0.00 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.52 3ddp n GLY 43 N 3.27 0.40 3.66 -1.39 0.00 -1.26 -4.70 105.19 105.17 3ddp n GLY 43 Ca 0.08 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3ddp n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddp s VAL 44 N 0.00 3.49 0.30 1.61 1.01 -1.26 -4.94 120.40 120.61 3ddp s VAL 44 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3ddp s VAL 44 Cb 0.00 -3.40 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 3ddp s VAL 44 CO 0.00 -0.07 1.36 -2.65 0.00 0.00 0.00 175.10 173.74 3ddp n PRO 45 N 7.28 2.14 -0.02 2.72 -0.02 -1.26 -4.78 135.00 141.06 3ddp n PRO 45 Ca 0.18 0.76 0.22 0.00 -2.02 0.00 0.00 63.50 62.64 3ddp n PRO 45 Cb 0.43 -2.38 0.71 0.00 -0.02 0.00 0.00 33.50 32.24 3ddp n PRO 45 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ddp h SER 46 N 3.31 0.00 -0.22 2.55 4.64 -1.93 -1.33 113.55 120.58 3ddp h SER 46 Ca -0.46 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.74 3ddp h SER 46 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ddp h SER 46 CO 0.68 0.00 -0.35 0.71 -0.87 0.00 0.00 176.83 177.00 3ddp h THR 47 N 0.00 1.32 0.46 2.95 1.35 -1.89 -1.23 112.91 115.87 3ddp h THR 47 Ca 0.28 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.55 3ddp h THR 47 Cb 1.18 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3ddp h THR 47 CO -0.00 0.49 -0.22 0.00 -0.25 0.00 0.00 175.52 175.53 3ddp h ALA 48 N 0.62 -0.61 -0.93 6.62 0.00 -1.59 -1.02 119.26 122.36 3ddp h ALA 48 Ca 0.02 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.93 3ddp h ALA 48 Cb 0.94 0.24 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 3ddp h ALA 48 CO 0.08 -0.73 -0.23 0.82 0.00 0.00 0.00 179.25 179.19 3ddp h ILE 49 N -0.84 0.07 -0.15 0.00 2.04 -1.37 0.98 117.51 118.24 3ddp h ILE 49 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3ddp h ILE 49 Cb 0.57 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3ddp h ILE 49 CO 0.10 0.00 -0.00 0.03 0.00 0.00 0.00 178.15 178.28 3ddp h ARG 50 N -0.00 0.27 -0.14 2.37 3.08 -1.14 -2.24 114.38 116.58 3ddp h ARG 50 Ca 0.44 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.42 3ddp h ARG 50 Cb 0.68 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3ddp h ARG 50 CO -0.96 0.50 0.06 1.49 -1.07 0.00 0.00 179.97 179.99 3ddp h GLU 51 N 0.01 0.13 0.68 0.04 4.81 0.35 -2.50 114.58 118.11 3ddp h GLU 51 Ca 0.04 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3ddp h GLU 51 Cb 0.38 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3ddp h GLU 51 CO 0.01 0.09 -0.39 0.82 -0.73 0.00 0.00 179.01 178.81 3ddp h ILE 52 N 0.14 0.21 -0.95 2.32 2.04 -0.92 0.19 117.51 120.54 3ddp h ILE 52 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.03 3ddp h ILE 52 Cb 0.02 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 36.22 3ddp h ILE 52 CO -0.05 0.00 0.58 0.77 0.00 0.00 0.00 178.15 179.45 3ddp h SER 53 N -1.00 0.85 0.20 1.72 4.64 -1.36 -1.50 113.55 117.09 3ddp h SER 53 Ca -0.09 0.05 -0.32 0.00 -0.47 0.00 0.00 61.79 60.96 3ddp h SER 53 Cb 0.80 -0.12 0.03 0.00 -0.31 0.00 0.00 62.40 62.80 3ddp h SER 53 CO 0.11 0.46 -1.36 -0.07 -0.87 0.00 0.00 176.83 175.10 3ddp h LEU 54 N 0.93 0.86 -0.73 5.97 3.38 -1.36 -3.23 115.31 121.13 3ddp h LEU 54 Ca 0.47 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3ddp h LEU 54 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ddp h LEU 54 CO -0.26 1.65 0.00 0.25 0.09 0.00 0.00 178.44 180.17 3ddp h LEU 55 N 0.22 0.00 -0.15 1.67 5.85 -0.55 -1.56 115.31 120.79 3ddp h LEU 55 Ca -0.22 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 3ddp h LEU 55 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 3ddp h LEU 55 CO 0.26 0.00 -0.49 0.11 -0.34 0.00 0.00 178.44 177.97 3ddp h LYS 56 N 0.00 0.60 0.00 1.25 1.57 -1.34 -3.22 116.57 115.42 3ddp h LYS 56 Ca 0.00 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 3ddp h LYS 56 Cb 0.69 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3ddp h LYS 56 CO 0.00 1.07 -0.30 0.93 -0.57 0.00 0.00 179.45 180.57 3ddp h GLU 57 N 0.25 0.00 -4.20 3.15 5.08 -1.38 -3.40 114.58 114.09 3ddp h GLU 57 Ca -0.02 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.58 3ddp h GLU 57 Cb 1.12 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.14 3ddp h GLU 57 CO 0.11 0.30 0.27 -0.51 -1.00 0.00 0.00 179.01 178.18 3ddp s LEU 58 N -8.19 6.23 -0.31 1.33 1.43 -0.66 -4.99 118.68 113.51 3ddp s LEU 58 Ca -0.03 -2.42 -0.10 0.00 -1.03 0.00 0.00 54.13 50.55 3ddp s LEU 58 Cb 0.15 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3ddp s LEU 58 CO 0.71 -0.74 0.17 0.21 0.23 0.00 0.00 176.35 176.93 3ddp s ASN 59 N 2.68 5.71 -0.19 2.29 3.04 -1.26 -4.88 114.94 122.33 3ddp s ASN 59 Ca 0.21 -0.38 -0.23 0.00 0.04 0.00 0.00 52.86 52.49 3ddp s ASN 59 Cb -0.10 -2.05 0.06 0.00 -1.54 0.00 0.00 41.25 37.62 3ddp s ASN 59 CO -0.08 -0.17 0.62 -2.28 -3.04 0.00 0.00 177.10 172.16 3ddp s HIS 60 N 1.66 -0.66 0.63 0.43 2.46 -1.26 -5.04 115.29 113.52 3ddp s HIS 60 Ca 0.06 1.51 0.35 0.00 0.47 0.00 0.00 55.06 57.44 3ddp s HIS 60 Cb -0.17 0.26 2.00 0.00 -0.13 0.00 0.00 32.58 34.54 3ddp s HIS 60 CO 0.08 -0.39 2.24 -1.00 -2.47 0.00 0.00 174.74 173.20 3ddp h PRO 61 N 4.69 0.00 -0.24 2.88 0.13 -1.99 -2.85 132.00 134.61 3ddp h PRO 61 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3ddp h PRO 61 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3ddp h PRO 61 CO 0.17 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.03 3ddp n ASN 62 N -3.46 3.52 -4.15 1.44 4.13 -1.26 -4.87 115.26 110.61 3ddp n ASN 62 Ca -0.02 -2.81 -0.28 0.00 1.68 0.00 0.00 54.58 53.14 3ddp n ASN 62 Cb 0.16 -0.46 -0.17 0.00 -1.54 0.00 0.00 39.78 37.77 3ddp n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ddp s ILE 63 N -2.45 1.64 0.34 2.41 1.01 -1.08 -1.14 121.20 121.92 3ddp s ILE 63 Ca 0.37 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 3ddp s ILE 63 Cb 0.29 -1.42 -0.12 0.00 0.01 0.00 0.00 42.46 41.21 3ddp s ILE 63 CO 0.09 0.47 1.18 0.55 0.00 0.00 0.00 174.94 177.23 3ddp n VAL 64 N 3.41 2.07 -3.36 2.92 3.14 -0.69 -4.53 118.33 121.29 3ddp n VAL 64 Ca -0.20 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.29 3ddp n VAL 64 Cb 0.52 -1.37 -0.08 0.00 -1.06 0.00 0.00 33.84 31.85 3ddp n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3ddp s LYS 65 N -1.82 4.05 -0.22 1.45 2.20 -1.26 -4.96 119.74 119.18 3ddp s LYS 65 Ca 0.57 0.12 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 3ddp s LYS 65 Cb -0.60 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.08 3ddp s LYS 65 CO 0.61 -0.25 0.86 -1.17 -0.36 0.00 0.00 175.35 175.04 3ddp s LEU 66 N 1.98 4.12 -0.15 5.43 2.96 -1.26 -1.55 118.68 130.20 3ddp s LEU 66 Ca 0.17 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 3ddp s LEU 66 Cb -0.16 -3.26 -0.23 0.00 0.50 0.00 0.00 46.19 43.04 3ddp s LEU 66 CO 0.09 -0.50 0.22 0.18 -1.32 0.00 0.00 176.35 175.03 3ddp n LEU 67 N 5.80 2.18 -3.48 -0.68 4.77 0.34 -4.98 117.00 120.94 3ddp n LEU 67 Ca 0.06 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 3ddp n LEU 67 Cb 0.48 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 3ddp n LEU 67 CO 0.48 0.77 0.45 -0.62 -1.33 0.00 0.00 177.39 177.14 3ddp s ASP 68 N -6.59 -0.51 -0.14 -1.43 -1.08 -1.05 -4.99 116.67 100.89 3ddp s ASP 68 Ca -0.22 -0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 51.74 3ddp s ASP 68 Cb 0.07 0.58 0.04 0.00 -1.46 0.00 0.00 42.92 42.15 3ddp s ASP 68 CO 0.74 -0.96 -0.04 -0.69 0.52 0.00 0.00 175.17 174.74 3ddp s VAL 69 N -3.68 0.87 -0.30 1.11 1.01 -1.26 -1.32 120.40 116.82 3ddp s VAL 69 Ca 0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3ddp s VAL 69 Cb -0.01 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3ddp s VAL 69 CO -0.10 0.17 0.10 -0.63 0.00 0.00 0.00 175.10 174.64 3ddp s ILE 70 N 1.75 4.07 -0.45 2.22 1.01 -0.28 -4.97 121.20 124.55 3ddp s ILE 70 Ca 0.02 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3ddp s ILE 70 Cb -0.14 -3.12 0.43 0.00 0.01 0.00 0.00 42.46 39.64 3ddp s ILE 70 CO -0.07 0.04 1.35 1.57 0.00 0.00 0.00 174.94 177.83 3ddp n HIS 71 N 4.89 3.09 -0.66 3.97 -0.00 -1.26 -0.41 115.22 124.82 3ddp n HIS 71 Ca -0.14 -2.67 -0.32 0.00 0.46 0.00 0.00 57.72 55.06 3ddp n HIS 71 Cb 0.48 -0.47 0.18 0.00 -0.12 0.00 0.00 29.99 30.06 3ddp n HIS 71 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 3ddp n THR 72 N -0.63 0.00 0.23 3.57 -1.04 -1.10 -4.90 114.28 110.42 3ddp n THR 72 Ca 0.45 -0.28 0.09 0.00 -2.04 0.00 0.00 64.05 62.27 3ddp n THR 72 Cb 0.73 -0.72 0.56 0.00 -1.82 0.00 0.00 70.33 69.08 3ddp n THR 72 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3ddp h GLU 73 N -2.06 0.00 0.00 -2.82 4.22 -1.99 -3.39 114.58 108.54 3ddp h GLU 73 Ca -0.52 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 58.74 3ddp h GLU 73 Cb 1.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 3ddp h GLU 73 CO 0.40 0.22 -1.44 0.27 -2.18 0.00 0.00 179.01 176.27 3ddp n ASN 74 N -3.76 1.47 -4.71 1.04 6.94 -1.26 -4.94 115.26 110.03 3ddp n ASN 74 Ca -0.01 0.25 -0.23 0.00 -0.02 0.00 0.00 54.58 54.56 3ddp n ASN 74 Cb 0.32 -0.58 -0.07 0.00 -2.36 0.00 0.00 39.78 37.10 3ddp n ASN 74 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3ddp s LYS 75 N -2.46 2.34 -0.12 -3.83 -0.14 -1.26 -2.79 119.74 111.48 3ddp s LYS 75 Ca -0.23 -1.54 -0.01 0.00 -1.36 0.00 0.00 55.97 52.82 3ddp s LYS 75 Cb 0.07 -2.15 0.04 0.00 -1.68 0.00 0.00 37.83 34.10 3ddp s LYS 75 CO 0.31 0.16 -0.01 -1.17 -0.76 0.00 0.00 175.35 173.88 3ddp s LEU 76 N -3.81 0.98 -0.14 3.17 2.96 -0.72 -2.69 118.68 118.43 3ddp s LEU 76 Ca 0.36 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3ddp s LEU 76 Cb -0.03 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 3ddp s LEU 76 CO 0.22 -0.21 0.08 -0.31 -1.32 0.00 0.00 176.35 174.81 3ddp s TYR 77 N 1.85 3.37 -0.20 5.38 2.02 0.45 -2.09 117.35 128.14 3ddp s TYR 77 Ca 0.03 0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.98 3ddp s TYR 77 Cb -0.14 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3ddp s TYR 77 CO -0.07 0.44 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.81 3ddp s LEU 78 N -0.37 3.07 -0.27 -1.29 1.43 0.50 -1.12 118.68 120.62 3ddp s LEU 78 Ca 0.10 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 3ddp s LEU 78 Cb -0.12 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3ddp s LEU 78 CO 0.02 0.05 0.15 -0.69 0.23 0.00 0.00 176.35 176.11 3ddp s VAL 79 N 1.07 4.96 0.22 -1.59 1.01 -0.44 -0.76 120.40 124.87 3ddp s VAL 79 Ca 0.01 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.14 3ddp s VAL 79 Cb -0.15 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3ddp s VAL 79 CO 0.01 0.27 -0.20 -0.36 0.00 0.00 0.00 175.10 174.82 3ddp s PHE 80 N 1.71 2.36 0.57 5.22 0.40 -0.01 0.13 117.98 128.35 3ddp s PHE 80 Ca 0.07 -0.33 -0.21 0.00 -0.60 0.00 0.00 56.93 55.86 3ddp s PHE 80 Cb -0.16 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.20 3ddp s PHE 80 CO 0.08 0.56 1.25 -0.85 0.70 0.00 0.00 175.22 176.97 3ddp n GLU 81 N -0.03 1.42 -3.41 0.44 0.28 -0.59 -1.46 120.64 117.29 3ddp n GLU 81 Ca -0.10 0.53 -0.38 0.00 -0.16 0.00 0.00 57.16 57.05 3ddp n GLU 81 Cb 0.57 -2.46 -0.08 0.00 1.43 0.00 0.00 31.44 30.91 3ddp n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3ddp s PHE 82 N -1.34 3.37 0.11 -1.84 5.36 -1.24 -4.27 117.98 118.12 3ddp s PHE 82 Ca 0.74 0.59 0.06 0.00 -0.96 0.00 0.00 56.93 57.35 3ddp s PHE 82 Cb -0.42 -2.51 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 3ddp s PHE 82 CO 0.48 -0.00 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.69 3ddp s LEU 83 N 1.28 3.31 0.05 6.12 1.02 -1.26 -4.99 118.68 124.20 3ddp s LEU 83 Ca 0.18 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.06 3ddp s LEU 83 Cb -0.15 -2.05 -0.26 0.00 0.02 0.00 0.00 46.19 43.76 3ddp s LEU 83 CO 0.08 0.16 1.01 0.45 0.02 0.00 0.00 176.35 178.07 3ddp h HIS 84 N 3.38 0.32 -2.72 0.29 3.86 -1.82 -3.47 115.15 114.98 3ddp h HIS 84 Ca -0.48 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 58.54 3ddp h HIS 84 Cb 1.17 -0.01 -0.13 0.00 1.06 0.00 0.00 27.41 29.50 3ddp h HIS 84 CO 0.61 1.23 0.32 1.14 0.86 0.00 0.00 177.93 182.09 3ddp s GLN 85 N -2.65 1.15 0.55 2.45 -2.07 -1.11 -5.04 119.66 112.94 3ddp s GLN 85 Ca -0.05 -0.45 -0.08 0.00 -1.82 0.00 0.00 55.36 52.96 3ddp s GLN 85 Cb 0.08 0.51 -0.03 0.00 -1.09 0.00 0.00 33.01 32.47 3ddp s GLN 85 CO 0.85 -0.51 0.90 0.16 -1.32 0.00 0.00 175.29 175.37 3ddp s ASP 86 N -2.68 6.19 0.31 12.60 1.47 -1.26 -0.91 116.67 132.39 3ddp s ASP 86 Ca 0.04 1.11 0.02 0.00 1.18 0.00 0.00 52.55 54.90 3ddp s ASP 86 Cb -0.01 -2.30 0.51 0.00 -0.34 0.00 0.00 42.92 40.78 3ddp s ASP 86 CO -0.10 -0.74 1.83 0.25 0.68 0.00 0.00 175.17 177.09 3ddp h LEU 87 N -0.04 0.57 0.00 2.11 5.85 -0.55 -2.84 115.31 120.41 3ddp h LEU 87 Ca -0.46 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3ddp h LEU 87 Cb 1.20 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3ddp h LEU 87 CO 0.62 0.65 0.00 1.17 -0.34 0.00 0.00 178.44 180.54 3ddp n LYS 88 N -4.25 0.22 -0.05 1.25 4.81 -0.97 0.04 118.16 119.22 3ddp n LYS 88 Ca 0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.39 3ddp n LYS 88 Cb 0.27 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 33.81 3ddp n LYS 88 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3ddp n LYS 89 N -0.97 0.22 0.00 1.64 0.00 -1.07 -2.08 118.16 115.90 3ddp n LYS 89 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.42 3ddp n LYS 89 Cb 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 33.92 3ddp n LYS 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3ddp n PHE 90 N -2.84 0.00 -0.34 5.64 7.35 -1.26 -2.65 117.46 123.36 3ddp n PHE 90 Ca -0.16 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.74 3ddp n PHE 90 Cb 0.66 0.00 0.44 0.00 0.35 0.00 0.00 39.48 40.93 3ddp n PHE 90 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 3ddp h MET 91 N 0.00 0.45 -0.16 -4.13 2.86 -0.46 0.34 114.93 113.82 3ddp h MET 91 Ca 0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3ddp h MET 91 Cb 0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3ddp h MET 91 CO 0.00 0.30 -0.02 -0.44 1.06 0.00 0.00 176.91 177.80 3ddp h ASP 92 N 0.46 0.31 -0.83 1.22 3.32 -1.57 -3.01 116.42 116.31 3ddp h ASP 92 Ca 0.68 -0.35 0.22 0.00 0.02 0.00 0.00 57.03 57.60 3ddp h ASP 92 Cb 1.45 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.87 3ddp h ASP 92 CO -0.50 0.58 0.58 0.00 -1.72 0.00 0.00 179.24 178.17 3ddp h ALA 93 N 0.74 2.54 -0.49 3.45 0.00 -0.16 0.14 119.26 125.48 3ddp h ALA 93 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ddp h ALA 93 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ddp h ALA 93 CO 0.01 -0.79 0.00 0.43 0.00 0.00 0.00 179.25 178.90 3ddp n SER 94 N -4.38 4.94 -0.20 0.00 7.64 -0.36 -4.57 113.62 116.69 3ddp n SER 94 Ca 0.17 -2.75 0.15 0.00 1.01 0.00 0.00 58.87 57.45 3ddp n SER 94 Cb 0.80 -0.65 0.47 0.00 -1.01 0.00 0.00 64.21 63.82 3ddp n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ddp h ALA 95 N 3.72 2.04 0.00 -0.43 0.00 -0.66 0.62 119.26 124.54 3ddp h ALA 95 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3ddp h ALA 95 Cb 1.72 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 3ddp h ALA 95 CO 0.40 -0.26 -1.95 1.28 0.00 0.00 0.00 179.25 178.72 3ddp n LEU 96 N -4.51 0.26 0.08 0.00 4.77 -1.26 -4.66 117.00 111.68 3ddp n LEU 96 Ca 0.16 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 3ddp n LEU 96 Cb 0.53 0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.73 3ddp n LEU 96 CO 0.32 0.38 -0.34 0.71 -1.33 0.00 0.00 177.39 177.12 3ddp h THR 97 N 0.00 1.15 0.00 -5.08 1.35 -1.82 -3.51 112.91 105.01 3ddp h THR 97 Ca -0.37 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 62.74 3ddp h THR 97 Cb 1.83 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 71.06 3ddp h THR 97 CO 0.01 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 3ddp n GLY 98 N 1.70 0.05 3.27 5.82 0.00 0.20 -4.96 105.19 111.27 3ddp n GLY 98 Ca -0.17 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3ddp n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddp s ILE 99 N -1.75 2.89 0.17 -0.61 1.01 -1.26 -4.86 121.20 116.79 3ddp s ILE 99 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 60.65 59.64 3ddp s ILE 99 Cb 0.00 -2.26 -0.13 0.00 0.01 0.00 0.00 42.46 40.08 3ddp s ILE 99 CO 0.00 0.49 1.61 -2.65 0.00 0.00 0.00 174.94 174.38 3ddp n PRO 100 N 4.36 2.29 -0.35 2.79 -0.02 -1.26 -4.65 135.00 138.18 3ddp n PRO 100 Ca -0.19 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3ddp n PRO 100 Cb 0.51 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 3ddp n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ddp h LEU 101 N 6.06 -1.79 -0.74 2.45 6.46 -1.99 0.34 115.31 126.10 3ddp h LEU 101 Ca -0.44 0.30 0.19 0.00 -0.12 0.00 0.00 57.88 57.81 3ddp h LEU 101 Cb 1.24 0.83 -0.14 0.00 -0.73 0.00 0.00 40.66 41.86 3ddp h LEU 101 CO 0.90 -0.28 -0.03 -2.65 -0.62 0.00 0.00 178.44 175.75 3ddp n PRO 102 N -5.36 -0.06 -0.02 5.25 -0.01 -1.26 -0.38 135.00 133.16 3ddp n PRO 102 Ca 0.04 1.12 -0.13 0.00 -0.01 0.00 0.00 63.50 64.52 3ddp n PRO 102 Cb 0.33 -1.76 -0.09 0.00 -0.01 0.00 0.00 33.50 31.96 3ddp n PRO 102 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 3ddp h LEU 103 N 0.00 0.06 -0.68 2.45 5.85 -0.66 0.21 115.31 122.54 3ddp h LEU 103 Ca 0.43 -0.49 0.13 0.00 0.84 0.00 0.00 57.88 58.79 3ddp h LEU 103 Cb 0.83 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.75 3ddp h LEU 103 CO -0.71 0.54 0.20 0.40 -0.34 0.00 0.00 178.44 178.52 3ddp h ILE 104 N -0.41 0.61 -0.43 4.05 2.04 -0.77 0.42 117.51 123.02 3ddp h ILE 104 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ddp h ILE 104 Cb 0.52 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3ddp h ILE 104 CO 0.01 0.06 0.28 0.50 0.00 0.00 0.00 178.15 178.99 3ddp h LYS 105 N 0.32 0.57 -0.02 2.37 3.64 -0.53 -1.70 116.57 121.23 3ddp h LYS 105 Ca 0.37 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3ddp h LYS 105 Cb 0.58 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3ddp h LYS 105 CO -0.43 0.39 0.01 1.03 -2.27 0.00 0.00 179.45 178.18 3ddp h SER 106 N 0.58 0.02 -0.77 4.20 0.87 0.82 -1.97 113.55 117.30 3ddp h SER 106 Ca 0.16 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3ddp h SER 106 Cb -0.05 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 3ddp h SER 106 CO -0.03 0.21 0.51 1.88 -0.53 0.00 0.00 176.83 178.87 3ddp h TYR 107 N -0.17 0.96 0.31 2.24 0.05 -0.84 -1.43 116.97 118.10 3ddp h TYR 107 Ca 0.01 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3ddp h TYR 107 Cb 0.20 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.61 3ddp h TYR 107 CO -0.01 0.61 -0.15 1.25 -1.05 0.00 0.00 178.16 178.81 3ddp h LEU 108 N 1.04 -0.35 -0.54 3.88 5.85 -1.22 -1.99 115.31 121.98 3ddp h LEU 108 Ca 0.28 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.97 3ddp h LEU 108 Cb -0.12 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 40.90 3ddp h LEU 108 CO -0.06 -0.07 -0.33 0.15 -0.34 0.00 0.00 178.44 177.79 3ddp h PHE 109 N -0.64 -0.92 -0.67 1.25 3.57 -0.94 0.77 116.94 119.37 3ddp h PHE 109 Ca -0.04 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3ddp h PHE 109 Cb 0.46 0.48 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 3ddp h PHE 109 CO 0.00 -0.38 0.39 1.96 -2.23 0.00 0.00 178.31 178.05 3ddp h GLN 110 N -0.19 0.91 -0.38 1.11 4.20 -1.27 0.14 115.11 119.63 3ddp h GLN 110 Ca 0.22 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3ddp h GLN 110 Cb 0.55 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3ddp h GLN 110 CO -0.64 0.66 0.03 -0.07 -0.67 0.00 0.00 178.83 178.14 3ddp h LEU 111 N 0.91 0.55 -0.01 1.46 3.38 -0.49 0.22 115.31 121.33 3ddp h LEU 111 Ca 0.24 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ddp h LEU 111 Cb -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ddp h LEU 111 CO -0.04 0.60 -0.01 -0.07 0.09 0.00 0.00 178.44 179.01 3ddp h LEU 112 N 0.57 0.01 -0.62 1.67 3.38 -0.30 0.00 115.31 120.03 3ddp h LEU 112 Ca 0.12 -0.51 0.13 0.00 0.09 0.00 0.00 57.88 57.71 3ddp h LEU 112 Cb 0.32 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 3ddp h LEU 112 CO 0.01 0.52 -0.08 1.56 0.09 0.00 0.00 178.44 180.54 3ddp h GLN 113 N -0.49 0.05 -0.54 1.13 4.20 -0.34 0.26 115.11 119.39 3ddp h GLN 113 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3ddp h GLN 113 Cb 0.52 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3ddp h GLN 113 CO 0.00 0.03 0.29 0.78 -0.67 0.00 0.00 178.83 179.27 3ddp h GLY 114 N 0.05 0.81 2.00 3.46 0.00 -0.54 -2.56 103.07 106.29 3ddp h GLY 114 Ca 0.31 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 3ddp h GLY 114 CO -0.58 0.35 -0.64 -2.00 0.00 0.00 0.00 176.54 173.67 3ddp h LEU 115 N 0.72 0.00 -0.91 3.11 5.85 0.19 -1.99 115.31 122.29 3ddp h LEU 115 Ca 0.19 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3ddp h LEU 115 Cb 0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3ddp h LEU 115 CO -0.03 0.64 -0.53 0.00 -0.34 0.00 0.00 178.44 178.18 3ddp h ALA 116 N 1.36 1.08 -0.16 1.25 0.00 -0.42 -1.39 119.26 120.99 3ddp h ALA 116 Ca -0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3ddp h ALA 116 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ddp h ALA 116 CO 0.08 0.67 -0.18 0.35 0.00 0.00 0.00 179.25 180.17 3ddp h PHE 117 N 0.00 0.49 -0.28 0.00 3.57 -1.05 -0.09 116.94 119.58 3ddp h PHE 117 Ca -0.01 -0.15 0.07 0.00 3.53 0.00 0.00 57.97 61.41 3ddp h PHE 117 Cb 0.97 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 3ddp h PHE 117 CO 0.00 0.80 -0.24 0.00 -2.23 0.00 0.00 178.31 176.65 3ddp h HIS 119 N -0.22 1.07 -0.05 0.00 3.86 -1.21 0.15 115.15 118.75 3ddp h HIS 119 Ca 0.15 -0.31 0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3ddp h HIS 119 Cb 0.45 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 3ddp h HIS 119 CO -0.41 1.12 0.11 0.77 0.86 0.00 0.00 177.93 180.38 3ddp h SER 120 N 0.75 0.00 -0.42 2.45 0.02 -0.73 0.09 113.55 115.72 3ddp h SER 120 Ca 0.07 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.81 3ddp h SER 120 Cb 0.93 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.35 3ddp h SER 120 CO 0.09 0.00 0.01 1.41 -1.14 0.00 0.00 176.83 177.19 3ddp n HIS 121 N -3.37 1.31 -3.96 3.45 8.25 -0.76 -4.97 115.22 115.17 3ddp n HIS 121 Ca -0.02 -1.58 -0.27 0.00 -0.26 0.00 0.00 57.72 55.59 3ddp n HIS 121 Cb 0.20 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 30.76 3ddp n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3ddp n ARG 122 N -1.08 -3.81 -4.80 -0.41 -4.01 0.02 -4.95 116.66 97.62 3ddp n ARG 122 Ca 0.35 0.46 -0.27 0.00 -1.04 0.00 0.00 57.85 57.35 3ddp n ARG 122 Cb 1.10 -4.85 -0.17 0.00 -3.04 0.00 0.00 32.46 25.50 3ddp n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3ddp s VAL 123 N -3.71 1.43 -0.10 8.89 1.01 -0.02 -1.81 120.40 126.09 3ddp s VAL 123 Ca 0.22 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3ddp s VAL 123 Cb -0.11 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3ddp s VAL 123 CO 0.88 0.42 0.06 -0.76 0.00 0.00 0.00 175.10 175.69 3ddp s LEU 124 N 0.48 3.91 -0.12 3.92 1.43 -0.41 -3.34 118.68 124.54 3ddp s LEU 124 Ca -0.14 0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 3ddp s LEU 124 Cb -0.16 -1.93 -0.27 0.00 0.03 0.00 0.00 46.19 43.87 3ddp s LEU 124 CO 0.05 0.39 0.67 -0.74 0.23 0.00 0.00 176.35 176.95 3ddp h HIS 125 N 5.06 0.23 -0.57 0.29 -0.00 -1.89 -1.61 115.15 116.65 3ddp h HIS 125 Ca -0.52 -0.17 -0.25 0.00 -0.00 0.00 0.00 60.37 59.43 3ddp h HIS 125 Cb 1.21 -0.01 -0.10 0.00 -0.00 0.00 0.00 27.41 28.51 3ddp h HIS 125 CO 0.68 1.27 -0.22 0.54 -0.00 0.00 0.00 177.93 180.20 3ddp n ARG 126 N -4.32 -0.89 -2.72 5.26 1.74 -1.26 -2.86 116.66 111.62 3ddp n ARG 126 Ca -0.17 0.92 -0.08 0.00 -0.77 0.00 0.00 57.85 57.74 3ddp n ARG 126 Cb 0.68 -4.94 0.10 0.00 -1.02 0.00 0.00 32.46 27.28 3ddp n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ddp n ASP 127 N -0.05 -2.16 -1.61 0.55 2.03 -1.26 -2.52 116.55 111.53 3ddp n ASP 127 Ca -0.12 -3.18 -0.07 0.00 0.52 0.00 0.00 54.79 51.94 3ddp n ASP 127 Cb 0.41 1.56 0.02 0.00 -0.72 0.00 0.00 41.12 42.39 3ddp n ASP 127 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ddp n LEU 128 N -0.03 5.53 -4.77 -2.67 4.77 -1.26 -4.79 117.00 113.79 3ddp n LEU 128 Ca 0.02 -2.68 -0.37 0.00 -0.03 0.00 0.00 56.01 52.95 3ddp n LEU 128 Cb 0.76 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3ddp n LEU 128 CO -0.01 1.03 0.85 -1.59 -1.33 0.00 0.00 177.39 176.34 3ddp s LYS 129 N -0.81 3.60 0.00 3.23 -2.85 -1.26 -4.77 119.74 116.88 3ddp s LYS 129 Ca 0.14 1.82 0.12 0.00 -1.00 0.00 0.00 55.97 57.05 3ddp s LYS 129 Cb 0.11 -2.32 0.73 0.00 -2.06 0.00 0.00 37.83 34.28 3ddp s LYS 129 CO 0.00 -0.70 1.17 -0.35 0.10 0.00 0.00 175.35 175.57 3ddp n PRO 130 N -0.69 0.38 0.17 1.78 -0.04 -1.26 -0.33 135.00 135.01 3ddp n PRO 130 Ca 0.08 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 3ddp n PRO 130 Cb 0.48 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 3ddp n PRO 130 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3ddp h GLN 131 N 0.00 0.00 -0.61 0.54 7.50 -1.95 -2.41 115.11 118.18 3ddp h GLN 131 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3ddp h GLN 131 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3ddp h GLN 131 CO 0.00 0.28 0.00 0.09 -1.50 0.00 0.00 178.83 177.70 3ddp n ASN 132 N -3.16 3.52 -4.07 1.46 3.02 0.56 -4.75 115.26 111.85 3ddp n ASN 132 Ca 0.03 -2.15 -0.32 0.00 -0.03 0.00 0.00 54.58 52.11 3ddp n ASN 132 Cb 0.65 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 39.22 3ddp n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ddp s LEU 133 N -1.24 3.84 -0.04 3.41 1.43 -1.25 -0.22 118.68 124.61 3ddp s LEU 133 Ca 0.41 -1.58 -0.03 0.00 -1.03 0.00 0.00 54.13 51.90 3ddp s LEU 133 Cb 0.23 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3ddp s LEU 133 CO 0.24 -0.25 0.13 -0.76 0.23 0.00 0.00 176.35 175.95 3ddp s LEU 134 N 1.07 4.18 0.04 1.79 1.43 0.09 -0.91 118.68 126.37 3ddp s LEU 134 Ca -0.04 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3ddp s LEU 134 Cb -0.20 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3ddp s LEU 134 CO -0.05 0.31 -0.20 0.27 0.23 0.00 0.00 176.35 176.90 3ddp s ILE 135 N -1.19 1.61 0.47 -0.59 -4.36 -0.09 0.07 121.20 117.12 3ddp s ILE 135 Ca 0.22 -1.14 0.06 0.00 -0.26 0.00 0.00 60.65 59.53 3ddp s ILE 135 Cb -0.12 -1.40 0.06 0.00 1.25 0.00 0.00 42.46 42.26 3ddp s ILE 135 CO 0.13 0.22 0.54 -0.46 0.24 0.00 0.00 174.94 175.60 3ddp n ASN 136 N 1.94 2.01 0.03 4.36 0.23 -0.82 -2.24 115.26 120.76 3ddp n ASN 136 Ca -0.17 -2.38 0.13 0.00 -0.53 0.00 0.00 54.58 51.63 3ddp n ASN 136 Cb 0.53 -0.23 0.54 0.00 -2.08 0.00 0.00 39.78 38.54 3ddp n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3ddp n THR 137 N -1.86 0.24 0.77 5.53 -2.24 -1.26 -3.44 114.28 112.02 3ddp n THR 137 Ca 0.08 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 3ddp n THR 137 Cb 0.50 -0.58 0.27 0.00 -2.10 0.00 0.00 70.33 68.42 3ddp n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ddp n GLU 138 N -1.69 2.01 -0.48 -0.78 -0.58 -1.26 -4.52 120.64 113.34 3ddp n GLU 138 Ca 0.06 -1.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.26 3ddp n GLU 138 Cb 0.34 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 3ddp n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ddp n GLY 139 N 1.24 0.71 3.91 0.62 0.00 -1.22 -4.76 105.19 105.69 3ddp n GLY 139 Ca 0.16 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3ddp n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddp s ALA 140 N -2.00 3.85 0.02 4.61 0.00 -1.26 -4.85 121.76 122.13 3ddp s ALA 140 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3ddp s ALA 140 Cb 0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 3ddp s ALA 140 CO 0.00 0.64 -0.09 -1.50 0.00 0.00 0.00 175.76 174.81 3ddp s ILE 141 N -1.69 0.68 -0.06 0.00 2.07 -1.26 -1.94 121.20 119.01 3ddp s ILE 141 Ca 0.39 -0.70 -0.05 0.00 -1.41 0.00 0.00 60.65 58.87 3ddp s ILE 141 Cb -0.12 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.85 3ddp s ILE 141 CO 0.27 -0.05 0.16 -0.54 -1.91 0.00 0.00 174.94 172.87 3ddp s LYS 142 N -0.83 0.18 -0.03 3.50 1.02 0.11 -4.58 119.74 119.11 3ddp s LYS 142 Ca -0.01 0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.92 3ddp s LYS 142 Cb -0.06 0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 3ddp s LYS 142 CO 0.00 -0.04 1.40 -0.51 -0.92 0.00 0.00 175.35 175.28 3ddp s LEU 143 N 0.19 4.30 0.46 3.17 1.43 -0.29 -0.73 118.68 127.21 3ddp s LEU 143 Ca -0.01 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.19 3ddp s LEU 143 Cb -0.02 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3ddp s LEU 143 CO -0.00 -0.74 0.04 0.00 0.23 0.00 0.00 176.35 175.88 3ddp s ALA 144 N 2.68 3.67 -0.09 4.21 0.00 0.69 -1.71 121.76 131.21 3ddp s ALA 144 Ca 0.63 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 3ddp s ALA 144 Cb -0.30 0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3ddp s ALA 144 CO 0.25 -0.10 0.04 -3.47 0.00 0.00 0.00 175.76 172.48 3ddp n ASP 145 N -1.16 -6.26 -1.48 0.00 -0.08 -1.26 -4.85 116.55 101.46 3ddp n ASP 145 Ca -0.10 0.89 0.08 0.00 -1.51 0.00 0.00 54.79 54.15 3ddp n ASP 145 Cb 0.67 -2.82 0.34 0.00 2.34 0.00 0.00 41.12 41.65 3ddp n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ddp n PHE 146 N 1.59 1.57 -0.31 -0.67 3.01 -1.26 -4.50 117.46 116.89 3ddp n PHE 146 Ca -0.06 -0.75 0.18 0.00 1.01 0.00 0.00 57.45 57.83 3ddp n PHE 146 Cb 0.29 -0.39 0.44 0.00 -0.01 0.00 0.00 39.48 39.81 3ddp n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3ddp h GLY 147 N 3.24 1.32 -2.39 1.37 0.00 -1.91 0.73 103.07 105.43 3ddp h GLY 147 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3ddp h GLY 147 CO 0.35 -0.08 0.00 1.04 0.00 0.00 0.00 176.54 177.85 3ddp n LEU 148 N -4.65 3.50 -4.80 3.11 4.32 -1.26 -4.64 117.00 112.58 3ddp n LEU 148 Ca 0.23 -1.75 -0.31 0.00 -0.02 0.00 0.00 56.01 54.16 3ddp n LEU 148 Cb 0.72 -0.44 0.06 0.00 -1.62 0.00 0.00 43.42 42.15 3ddp n LEU 148 CO 0.25 0.83 0.71 0.00 -1.22 0.00 0.00 177.39 177.96 3ddp s ALA 149 N -1.23 2.52 0.05 -1.18 0.00 0.25 -4.56 121.76 117.61 3ddp s ALA 149 Ca 0.43 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 3ddp s ALA 149 Cb 0.23 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3ddp s ALA 149 CO 0.28 -1.40 0.23 -0.98 0.00 0.00 0.00 175.76 173.88 3ddp s ARG 150 N -4.93 0.76 -0.17 0.00 1.70 -0.61 -4.92 118.95 110.78 3ddp s ARG 150 Ca 0.60 -0.64 -0.22 0.00 -0.47 0.00 0.00 55.73 55.00 3ddp s ARG 150 Cb -0.15 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 3ddp s ARG 150 CO 0.54 -0.23 0.65 0.00 -1.08 0.00 0.00 175.30 175.19 3ddp s ALA 151 N -2.78 3.51 0.27 7.88 0.00 -1.26 -1.29 121.76 128.09 3ddp s ALA 151 Ca -0.03 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.82 3ddp s ALA 151 Cb -0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3ddp s ALA 151 CO -0.05 -0.47 0.24 -0.59 0.00 0.00 0.00 175.76 174.90 3ddp s PHE 152 N 1.70 3.11 0.44 0.00 -0.71 -0.75 -5.01 117.98 116.76 3ddp s PHE 152 Ca 0.31 -0.14 0.01 0.00 -1.04 0.00 0.00 56.93 56.07 3ddp s PHE 152 Cb -0.16 -1.51 -0.00 0.00 -1.21 0.00 0.00 43.02 40.13 3ddp s PHE 152 CO 0.12 0.43 0.65 0.20 -1.34 0.00 0.00 175.22 175.28 3ddp s GLY 153 N -3.90 1.59 -0.24 1.99 0.00 -1.26 -4.90 107.32 100.60 3ddp s GLY 153 Ca 0.35 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3ddp s GLY 153 CO 0.26 -0.97 -0.11 0.14 0.00 0.00 0.00 173.10 172.43 3ddp s VAL 154 N -2.52 1.97 0.92 1.40 1.01 -1.26 -2.12 120.40 119.79 3ddp s VAL 154 Ca 0.48 -1.41 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 3ddp s VAL 154 Cb -0.10 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.35 3ddp s VAL 154 CO 0.37 0.03 1.10 -2.16 0.00 0.00 0.00 175.10 174.44 3ddp s PRO 155 N 1.21 1.10 1.06 2.72 0.04 -1.26 -5.15 135.00 134.73 3ddp s PRO 155 Ca -0.06 0.63 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 3ddp s PRO 155 Cb -0.19 -1.81 0.22 0.00 0.04 0.00 0.00 34.50 32.76 3ddp s PRO 155 CO -0.06 -2.30 1.11 0.14 0.04 0.00 0.00 177.00 175.93 3ddp s VAL 156 N -3.02 1.88 0.20 -0.36 -7.23 -0.90 -5.10 120.40 105.87 3ddp s VAL 156 Ca 0.64 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.84 3ddp s VAL 156 Cb -0.17 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 3ddp s VAL 156 CO 0.56 0.00 0.11 -2.11 -0.31 0.00 0.00 175.10 173.36 3ddp n ARG 157 N -4.31 0.50 -1.92 4.82 1.85 -1.26 -4.97 116.66 111.36 3ddp n ARG 157 Ca 0.08 -1.86 -0.42 0.00 -1.00 0.00 0.00 57.85 54.65 3ddp n ARG 157 Cb 0.58 1.25 -0.03 0.00 -1.05 0.00 0.00 32.46 33.21 3ddp n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3ddp s THR 158 N -2.55 3.43 -0.13 8.89 2.01 -1.24 -4.69 115.64 121.36 3ddp s THR 158 Ca 0.16 0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 3ddp s THR 158 Cb 0.01 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 3ddp s THR 158 CO 0.11 -0.10 -0.15 -1.22 -0.69 0.00 0.00 174.62 172.58 3ddp n TYR 159 N 7.94 0.00 0.00 4.92 4.01 -1.26 -5.11 117.16 127.66 3ddp n TYR 159 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 3ddp n TYR 159 Cb 0.43 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3ddp n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3ddp n HIS 161 N -3.31 0.00 -2.12 -0.72 -0.00 -1.26 -5.05 115.22 102.76 3ddp n HIS 161 Ca -0.24 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.64 3ddp n HIS 161 Cb 0.70 0.02 -0.05 0.00 -0.12 0.00 0.00 29.99 30.54 3ddp n HIS 161 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3ddp s GLU 162 N -1.92 2.66 -0.03 1.57 8.01 -1.26 -4.88 118.70 122.85 3ddp s GLU 162 Ca 0.00 -1.04 -0.10 0.00 0.01 0.00 0.00 54.97 53.84 3ddp s GLU 162 Cb 0.00 -5.23 0.01 0.00 -4.31 0.00 0.00 34.13 24.60 3ddp s GLU 162 CO 0.00 -3.66 0.22 0.54 0.01 0.00 0.00 175.26 172.37 3ddp s VAL 163 N 10.09 0.05 0.26 2.63 0.11 -1.26 -5.10 120.40 127.19 3ddp s VAL 163 Ca 0.67 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 3ddp s VAL 163 Cb -0.02 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3ddp s VAL 163 CO 0.09 -0.23 0.00 0.52 -3.33 0.00 0.00 175.10 172.15 3ddp n VAL 164 N 1.87 -3.16 -1.66 2.04 0.31 -1.05 -4.88 118.33 111.80 3ddp n VAL 164 Ca -0.19 1.20 -0.46 0.00 -0.01 0.00 0.00 64.34 64.88 3ddp n VAL 164 Cb 0.57 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.80 3ddp n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ddp n THR 165 N -0.96 0.46 -0.31 2.52 -1.04 -1.26 -4.85 114.28 108.85 3ddp n THR 165 Ca 0.00 -0.11 0.14 0.00 -2.04 0.00 0.00 64.05 62.04 3ddp n THR 165 Cb 0.00 -1.43 0.31 0.00 -1.82 0.00 0.00 70.33 67.39 3ddp n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ddp h LEU 166 N 4.96 -0.07 -1.80 -4.42 5.85 -1.96 -0.93 115.31 116.94 3ddp h LEU 166 Ca -0.45 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3ddp h LEU 166 Cb 1.27 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 3ddp h LEU 166 CO 0.81 -0.21 -0.11 -0.50 -0.34 0.00 0.00 178.44 178.09 3ddp h TRP 167 N 0.16 0.00 -0.22 1.25 4.06 -1.88 -2.95 115.95 116.36 3ddp h TRP 167 Ca 0.58 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.53 3ddp h TRP 167 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 3ddp h TRP 167 CO -0.29 0.11 0.00 0.66 -3.56 0.00 0.00 178.44 175.36 3ddp n TYR 168 N -4.34 0.71 -3.38 0.49 4.01 -0.36 -4.62 117.16 109.67 3ddp n TYR 168 Ca -0.03 -0.83 -0.39 0.00 -0.16 0.00 0.00 57.90 56.49 3ddp n TYR 168 Cb 0.19 -0.24 -0.08 0.00 -0.31 0.00 0.00 39.34 38.89 3ddp n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3ddp s ARG 169 N -2.53 4.07 0.70 -0.72 3.52 -1.12 -3.98 118.95 118.89 3ddp s ARG 169 Ca 0.37 0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.92 3ddp s ARG 169 Cb 0.29 -3.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.09 3ddp s ARG 169 CO 0.09 -0.21 1.21 0.00 -0.81 0.00 0.00 175.30 175.57 3ddp s ALA 170 N 1.87 2.21 0.33 6.12 0.00 -1.26 -4.85 121.76 126.18 3ddp s ALA 170 Ca 0.17 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.04 3ddp s ALA 170 Cb -0.15 -3.47 0.56 0.00 0.00 0.00 0.00 23.12 20.06 3ddp s ALA 170 CO 0.09 -1.73 1.98 -1.00 0.00 0.00 0.00 175.76 175.10 3ddp h PRO 171 N -0.07 0.94 -0.63 0.00 0.13 -1.96 -2.61 132.00 127.81 3ddp h PRO 171 Ca -0.48 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3ddp h PRO 171 Cb 1.30 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3ddp h PRO 171 CO 0.51 0.62 0.42 1.05 -0.23 0.00 0.00 178.00 180.37 3ddp h GLU 172 N 0.97 0.72 -0.18 0.86 9.09 -1.92 0.75 114.58 124.87 3ddp h GLU 172 Ca 0.28 -0.04 -0.19 0.00 0.05 0.00 0.00 59.36 59.46 3ddp h GLU 172 Cb -0.05 -0.16 0.01 0.00 -1.65 0.00 0.00 28.75 26.89 3ddp h GLU 172 CO -0.07 0.48 -0.61 0.82 0.05 0.00 0.00 179.01 179.67 3ddp h ILE 173 N 0.74 1.30 -0.24 -1.06 2.04 -1.84 -2.11 117.51 116.34 3ddp h ILE 173 Ca 0.25 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 3ddp h ILE 173 Cb 0.08 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3ddp h ILE 173 CO -0.07 0.58 0.10 -0.07 0.00 0.00 0.00 178.15 178.69 3ddp h LEU 174 N 0.45 0.32 -1.22 1.44 3.38 -0.75 -3.07 115.31 115.87 3ddp h LEU 174 Ca -0.03 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3ddp h LEU 174 Cb 1.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3ddp h LEU 174 CO 0.13 0.39 -0.10 -0.07 0.09 0.00 0.00 178.44 178.89 3ddp h LEU 175 N 0.23 0.40 0.00 1.67 3.38 0.39 -3.47 115.31 117.91 3ddp h LEU 175 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ddp h LEU 175 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ddp h LEU 175 CO -0.01 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.67 3ddp n GLY 176 N -0.76 1.88 3.73 0.83 0.00 -0.99 -1.34 105.19 108.53 3ddp n GLY 176 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3ddp n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddp h LYS 178 N 0.10 0.00 -5.84 0.00 2.10 -1.99 -3.45 116.57 107.48 3ddp h LYS 178 Ca -0.49 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.61 3ddp h LYS 178 Cb 1.30 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.36 3ddp h LYS 178 CO 0.52 0.00 -0.83 0.71 -2.00 0.00 0.00 179.45 177.84 3ddp s TYR 179 N -3.16 1.65 0.06 0.07 2.02 -1.26 -3.73 117.35 113.01 3ddp s TYR 179 Ca 0.08 -0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.30 3ddp s TYR 179 Cb 0.11 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.68 3ddp s TYR 179 CO 0.65 0.04 0.32 1.52 -1.57 0.00 0.00 175.55 176.51 3ddp s TYR 180 N -0.68 -0.10 0.00 2.71 -0.85 -1.26 -4.94 117.35 112.23 3ddp s TYR 180 Ca 0.06 -0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 3ddp s TYR 180 Cb -0.08 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.37 3ddp s TYR 180 CO 0.01 -0.55 0.00 0.45 -1.52 0.00 0.00 175.55 173.94 3ddp n SER 181 N 0.35 0.00 -0.26 -0.18 2.88 -1.26 -4.89 113.62 110.27 3ddp n SER 181 Ca -0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.46 3ddp n SER 181 Cb 0.61 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.41 3ddp n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3ddp h THR 182 N 0.00 0.91 -0.77 2.46 1.35 -1.98 -2.73 112.91 112.16 3ddp h THR 182 Ca 0.00 -0.27 0.16 0.00 -0.55 0.00 0.00 66.41 65.76 3ddp h THR 182 Cb 0.00 0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 66.44 3ddp h THR 182 CO 0.00 0.14 0.52 0.00 -0.25 0.00 0.00 175.52 175.93 3ddp h ALA 183 N 1.58 2.18 -0.78 6.62 0.00 -1.92 -1.25 119.26 125.69 3ddp h ALA 183 Ca 0.42 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.38 3ddp h ALA 183 Cb 0.54 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3ddp h ALA 183 CO -0.18 -0.40 0.51 -0.39 0.00 0.00 0.00 179.25 178.79 3ddp h VAL 184 N 0.37 1.06 -0.53 0.00 -1.51 -1.89 0.21 116.25 113.97 3ddp h VAL 184 Ca 0.38 -0.30 -0.08 0.00 -1.23 0.00 0.00 66.70 65.47 3ddp h VAL 184 Cb 0.94 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 30.19 3ddp h VAL 184 CO -0.12 0.16 0.01 0.44 -1.23 0.00 0.00 177.57 176.83 3ddp h ASP 185 N 0.87 0.85 -0.33 4.19 3.32 -1.42 -3.02 116.42 120.89 3ddp h ASP 185 Ca 0.33 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3ddp h ASP 185 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3ddp h ASP 185 CO -0.11 0.91 -0.11 0.40 -1.72 0.00 0.00 179.24 178.61 3ddp h ILE 186 N 0.82 1.28 -0.58 0.35 1.08 -0.69 -2.39 117.51 117.39 3ddp h ILE 186 Ca 0.16 -1.19 0.12 0.00 -0.39 0.00 0.00 64.86 63.56 3ddp h ILE 186 Cb 0.48 1.38 -0.11 0.00 -3.07 0.00 0.00 36.82 35.50 3ddp h ILE 186 CO 0.02 0.39 -0.09 -0.25 -0.69 0.00 0.00 178.15 177.52 3ddp h TRP 187 N 0.42 -0.21 -0.14 1.37 2.91 -0.74 0.29 115.95 119.86 3ddp h TRP 187 Ca 0.08 0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.17 3ddp h TRP 187 Cb 0.62 0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 29.43 3ddp h TRP 187 CO 0.05 -0.22 -0.03 0.77 -1.03 0.00 0.00 178.44 177.99 3ddp h SER 188 N 0.04 -0.12 -0.75 2.65 0.02 -1.36 -1.24 113.55 112.78 3ddp h SER 188 Ca 0.29 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.31 3ddp h SER 188 Cb 0.45 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 3ddp h SER 188 CO -0.56 -0.04 0.49 -0.07 -1.14 0.00 0.00 176.83 175.51 3ddp h LEU 189 N 0.01 0.79 -0.23 5.07 3.38 -0.85 -0.81 115.31 122.67 3ddp h LEU 189 Ca 0.07 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3ddp h LEU 189 Cb 0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3ddp h LEU 189 CO -0.14 0.55 -0.20 1.23 0.09 0.00 0.00 178.44 179.97 3ddp h GLY 190 N 0.92 -0.08 1.05 0.83 0.00 0.06 0.53 103.07 106.38 3ddp h GLY 190 Ca 0.30 0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.89 3ddp h GLY 190 CO -0.08 -0.18 0.63 0.00 0.00 0.00 0.00 176.54 176.91 3ddp h ILE 192 N 1.29 1.23 -0.21 0.00 1.08 -0.67 -0.16 117.51 120.07 3ddp h ILE 192 Ca 0.35 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 3ddp h ILE 192 Cb -0.14 1.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.63 3ddp h ILE 192 CO -0.08 0.27 -0.35 0.15 -0.69 0.00 0.00 178.15 177.45 3ddp h PHE 193 N 0.42 -0.98 -0.75 1.37 3.57 0.46 0.79 116.94 121.82 3ddp h PHE 193 Ca 0.11 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3ddp h PHE 193 Cb 0.34 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 3ddp h PHE 193 CO 0.02 -0.41 0.45 0.00 -2.23 0.00 0.00 178.31 176.14 3ddp h ALA 194 N 0.43 1.02 -0.64 2.41 0.00 -1.33 -2.76 119.26 118.38 3ddp h ALA 194 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ddp h ALA 194 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ddp h ALA 194 CO -0.42 0.18 0.33 1.49 0.00 0.00 0.00 179.25 180.82 3ddp h GLU 195 N 0.84 0.90 -0.15 0.00 4.81 0.66 -0.80 114.58 120.84 3ddp h GLU 195 Ca 0.33 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 3ddp h GLU 195 Cb 0.15 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3ddp h GLU 195 CO -0.16 0.68 -0.39 0.52 -0.73 0.00 0.00 179.01 178.93 3ddp h MET 196 N 0.90 0.34 -0.13 1.92 2.86 -0.65 0.44 114.93 120.61 3ddp h MET 196 Ca 0.23 -0.16 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 3ddp h MET 196 Cb 0.06 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.73 3ddp h MET 196 CO -0.03 0.68 -0.60 0.28 1.06 0.00 0.00 176.91 178.29 3ddp h VAL 197 N 0.28 1.33 0.00 -2.22 2.07 -0.99 -3.36 116.25 113.36 3ddp h VAL 197 Ca 0.03 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.68 3ddp h VAL 197 Cb 0.81 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3ddp h VAL 197 CO 0.06 0.58 -0.62 0.35 0.02 0.00 0.00 177.57 177.96 3ddp n THR 198 N -4.12 0.00 -1.14 2.57 -2.24 -0.42 -4.91 114.28 104.03 3ddp n THR 198 Ca -0.08 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.39 3ddp n THR 198 Cb 0.65 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 3ddp n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ddp n ARG 199 N -1.33 -1.41 -4.33 -0.78 1.74 0.15 -4.98 116.66 105.73 3ddp n ARG 199 Ca 0.01 0.59 -0.24 0.00 -0.77 0.00 0.00 57.85 57.44 3ddp n ARG 199 Cb 0.17 -4.75 -0.12 0.00 -1.02 0.00 0.00 32.46 26.74 3ddp n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3ddp s ARG 200 N -2.08 1.25 0.35 5.56 1.70 -1.25 -4.84 118.95 119.64 3ddp s ARG 200 Ca 0.00 -1.31 -0.28 0.00 -0.47 0.00 0.00 55.73 53.67 3ddp s ARG 200 Cb 0.00 -1.49 -0.12 0.00 -0.57 0.00 0.00 34.95 32.77 3ddp s ARG 200 CO 0.00 0.33 1.42 0.00 -1.08 0.00 0.00 175.30 175.97 3ddp n ALA 201 N 0.72 1.91 -0.03 7.88 0.00 -1.26 -4.32 120.51 125.40 3ddp n ALA 201 Ca -0.17 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 3ddp n ALA 201 Cb 0.55 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 3ddp n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ddp h LEU 202 N 3.08 0.18 -6.78 0.00 5.85 -1.93 -3.38 115.31 112.33 3ddp h LEU 202 Ca -0.48 -0.59 -0.61 0.00 0.84 0.00 0.00 57.88 57.04 3ddp h LEU 202 Cb 1.26 -0.05 -0.41 0.00 0.37 0.00 0.00 40.66 41.82 3ddp h LEU 202 CO 0.66 0.74 -0.67 0.49 -0.34 0.00 0.00 178.44 179.32 3ddp n PHE 203 N -4.65 2.38 -1.71 1.25 3.72 -1.26 -5.00 117.46 112.18 3ddp n PHE 203 Ca -0.08 -4.07 -0.40 0.00 -0.05 0.00 0.00 57.45 52.84 3ddp n PHE 203 Cb 0.37 -0.44 -0.01 0.00 -0.94 0.00 0.00 39.48 38.46 3ddp n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ddp n PRO 204 N 1.95 3.92 -2.23 -1.08 -0.04 -1.26 -4.57 135.00 131.69 3ddp n PRO 204 Ca 0.23 -2.84 -0.36 0.00 -0.04 0.00 0.00 63.50 60.49 3ddp n PRO 204 Cb 0.39 -2.81 -0.00 0.00 -0.04 0.00 0.00 33.50 31.04 3ddp n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ddp s GLY 205 N 1.50 2.72 0.00 0.55 0.00 -1.26 -4.98 107.32 105.85 3ddp s GLY 205 Ca 0.58 0.90 0.23 0.00 0.00 0.00 0.00 44.72 46.43 3ddp s GLY 205 CO -0.07 1.32 1.34 2.09 0.00 0.00 0.00 173.10 177.77 3ddp n ASP 206 N -0.91 3.28 -3.69 1.64 5.68 -1.26 -4.82 116.55 116.46 3ddp n ASP 206 Ca 0.10 -1.97 -0.02 0.00 -0.50 0.00 0.00 54.79 52.40 3ddp n ASP 206 Cb 0.49 -0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.28 3ddp n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ddp s SER 207 N -1.57 -0.13 0.16 -1.12 1.04 -1.26 -5.01 113.70 105.81 3ddp s SER 207 Ca 0.35 -0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.33 3ddp s SER 207 Cb 0.21 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.75 3ddp s SER 207 CO 0.30 -0.65 1.77 -0.33 0.98 0.00 0.00 173.24 175.31 3ddp h GLU 208 N 2.00 0.35 -0.25 4.02 5.08 -1.98 0.21 114.58 124.01 3ddp h GLU 208 Ca -0.26 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 3ddp h GLU 208 Cb 1.22 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3ddp h GLU 208 CO 0.27 0.23 -0.12 0.97 -1.00 0.00 0.00 179.01 179.37 3ddp h ILE 209 N 0.37 1.30 -0.66 3.13 6.09 -1.97 -2.70 117.51 123.06 3ddp h ILE 209 Ca 0.17 -1.19 -0.03 0.00 -1.37 0.00 0.00 64.86 62.43 3ddp h ILE 209 Cb 0.09 1.55 -0.03 0.00 0.47 0.00 0.00 36.82 38.91 3ddp h ILE 209 CO -0.13 0.37 0.28 -0.78 -3.07 0.00 0.00 178.15 174.82 3ddp h ASP 210 N 0.24 0.88 -0.09 2.19 3.58 -1.89 0.75 116.42 122.07 3ddp h ASP 210 Ca 0.06 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.42 3ddp h ASP 210 Cb 0.62 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 3ddp h ASP 210 CO 0.04 0.77 -0.08 -0.61 -2.88 0.00 0.00 179.24 176.48 3ddp h GLN 211 N 0.95 -0.09 -0.78 0.28 5.75 -0.58 0.21 115.11 120.84 3ddp h GLN 211 Ca 0.23 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.81 3ddp h GLN 211 Cb 0.16 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 3ddp h GLN 211 CO -0.02 -0.06 0.45 -0.07 -2.65 0.00 0.00 178.83 176.48 3ddp h LEU 212 N -0.10 0.68 -0.31 -2.39 3.38 -1.06 -1.29 115.31 114.22 3ddp h LEU 212 Ca 0.07 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3ddp h LEU 212 Cb 0.19 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3ddp h LEU 212 CO -0.15 0.42 0.19 -0.26 0.09 0.00 0.00 178.44 178.72 3ddp h PHE 213 N 0.81 0.36 -0.42 1.13 0.04 0.14 -1.40 116.94 117.59 3ddp h PHE 213 Ca 0.36 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.12 3ddp h PHE 213 Cb 0.25 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3ddp h PHE 213 CO -0.06 0.22 0.17 0.00 -0.60 0.00 0.00 178.31 178.04 3ddp h ARG 214 N 0.39 0.63 -0.99 1.51 3.08 -0.28 1.00 114.38 119.71 3ddp h ARG 214 Ca 0.12 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3ddp h ARG 214 Cb -0.02 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 3ddp h ARG 214 CO -0.05 0.57 0.64 0.82 -1.07 0.00 0.00 179.97 180.89 3ddp h ILE 215 N 0.54 1.15 -0.27 2.04 2.04 -1.01 -1.96 117.51 120.04 3ddp h ILE 215 Ca 0.14 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 3ddp h ILE 215 Cb 0.18 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 3ddp h ILE 215 CO -0.01 0.22 -0.23 -0.26 0.00 0.00 0.00 178.15 177.87 3ddp h PHE 216 N 1.22 0.75 -0.98 1.37 0.04 -0.97 0.43 116.94 118.81 3ddp h PHE 216 Ca 0.40 -0.22 0.22 0.00 2.80 0.00 0.00 57.97 61.17 3ddp h PHE 216 Cb 0.04 -0.16 -0.09 0.00 2.20 0.00 0.00 35.95 37.94 3ddp h PHE 216 CO -0.00 0.92 0.62 0.00 -0.60 0.00 0.00 178.31 179.26 3ddp h ARG 217 N 0.36 0.51 0.05 1.51 2.47 -0.14 0.32 114.38 119.45 3ddp h ARG 217 Ca 0.05 -0.03 -0.38 0.00 -1.26 0.00 0.00 59.98 58.36 3ddp h ARG 217 Cb 0.78 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.93 3ddp h ARG 217 CO 0.06 0.34 -2.30 2.41 0.56 0.00 0.00 179.97 181.03 3ddp n THR 218 N -4.63 1.60 0.80 2.04 -1.04 -0.80 -4.55 114.28 107.69 3ddp n THR 218 Ca 0.22 -0.60 0.09 0.00 -2.04 0.00 0.00 64.05 61.72 3ddp n THR 218 Cb 0.71 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.66 3ddp n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ddp n LEU 219 N -3.34 1.51 0.00 -4.42 4.77 0.13 -3.23 117.00 112.42 3ddp n LEU 219 Ca -0.41 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 3ddp n LEU 219 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 3ddp n LEU 219 CO 0.32 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3ddp n GLY 220 N 1.27 1.08 3.61 -0.72 0.00 0.11 -4.46 105.19 106.08 3ddp n GLY 220 Ca 0.06 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3ddp n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ddp s THR 221 N -2.80 4.96 0.55 2.61 2.01 -0.60 -4.39 115.64 117.98 3ddp s THR 221 Ca 0.00 1.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.88 3ddp s THR 221 Cb 0.00 -3.97 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 3ddp s THR 221 CO 0.00 -0.05 1.00 -2.16 -0.69 0.00 0.00 174.62 172.72 3ddp s PRO 222 N 2.57 3.81 0.35 4.92 0.04 -1.26 -4.79 135.00 140.65 3ddp s PRO 222 Ca 0.26 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.22 3ddp s PRO 222 Cb -0.15 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 3ddp s PRO 222 CO 0.10 -0.39 0.43 -0.40 0.04 0.00 0.00 177.00 176.79 3ddp n ASP 223 N -1.94 -1.18 -0.31 6.66 5.68 -1.26 -4.96 116.55 119.23 3ddp n ASP 223 Ca 0.06 -3.04 0.24 0.00 -0.50 0.00 0.00 54.79 51.55 3ddp n ASP 223 Cb 0.54 2.32 0.54 0.00 -1.14 0.00 0.00 41.12 43.37 3ddp n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ddp h GLU 224 N 0.00 0.34 0.67 0.11 4.39 -1.97 -1.69 114.58 116.42 3ddp h GLU 224 Ca -0.27 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 3ddp h GLU 224 Cb 1.22 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 3ddp h GLU 224 CO 0.37 0.22 -0.32 0.28 -1.16 0.00 0.00 179.01 178.40 3ddp h VAL 225 N 0.35 0.32 -0.05 3.13 2.07 -2.00 -3.08 116.25 117.00 3ddp h VAL 225 Ca 0.58 -0.08 -0.19 0.00 0.82 0.00 0.00 66.70 67.83 3ddp h VAL 225 Cb 1.55 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3ddp h VAL 225 CO -0.25 0.01 -0.77 1.62 0.02 0.00 0.00 177.57 178.19 3ddp h VAL 226 N -0.95 1.40 -2.23 2.57 3.04 -1.88 -3.43 116.25 114.78 3ddp h VAL 226 Ca -0.09 -2.24 -0.27 0.00 -1.01 0.00 0.00 66.70 63.09 3ddp h VAL 226 Cb 0.70 2.20 -0.33 0.00 -2.01 0.00 0.00 31.29 31.85 3ddp h VAL 226 CO 0.15 0.67 -0.59 0.86 -1.01 0.00 0.00 177.57 177.65 3ddp s TRP 227 N -3.52 -0.49 0.08 3.17 -0.00 -0.67 -4.58 118.94 112.93 3ddp s TRP 227 Ca -0.05 0.27 -0.31 0.00 -0.00 0.00 0.00 56.10 56.01 3ddp s TRP 227 Cb 0.10 -0.28 -0.07 0.00 -0.00 0.00 0.00 33.47 33.22 3ddp s TRP 227 CO 0.84 -0.73 1.41 -2.14 -0.00 0.00 0.00 176.95 176.33 3ddp s PRO 228 N 2.40 4.30 0.00 5.86 0.02 -1.16 -3.56 135.00 142.86 3ddp s PRO 228 Ca 0.09 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3ddp s PRO 228 Cb -0.15 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.00 3ddp s PRO 228 CO -0.19 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 3ddp n GLY 229 N 3.57 0.56 0.38 0.52 0.00 -1.26 -4.97 105.19 104.00 3ddp n GLY 229 Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 3ddp n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ddp h VAL 230 N 0.00 0.77 0.00 1.61 2.07 -1.90 0.11 116.25 118.91 3ddp h VAL 230 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3ddp h VAL 230 Cb 0.00 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3ddp h VAL 230 CO 0.00 0.04 -0.04 0.71 0.02 0.00 0.00 177.57 178.30 3ddp h THR 231 N 0.22 0.09 0.00 2.57 1.35 -1.93 -2.95 112.91 112.26 3ddp h THR 231 Ca 0.31 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3ddp h THR 231 Cb 0.91 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3ddp h THR 231 CO -0.06 0.04 0.00 -1.20 -0.25 0.00 0.00 175.52 174.05 3ddp n SER 232 N -3.12 0.32 -4.77 5.36 7.64 0.39 -4.92 113.62 114.52 3ddp n SER 232 Ca 0.02 0.54 -0.37 0.00 1.01 0.00 0.00 58.87 60.07 3ddp n SER 232 Cb 0.44 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 3ddp n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3ddp s MET 233 N -3.07 3.96 0.01 1.43 -1.94 -1.12 -5.02 119.30 113.56 3ddp s MET 233 Ca 0.10 1.76 -0.05 0.00 -1.71 0.00 0.00 55.69 55.80 3ddp s MET 233 Cb 0.14 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 3ddp s MET 233 CO 0.48 -0.38 1.07 -1.35 -0.01 0.00 0.00 175.02 174.84 3ddp h PRO 234 N 2.39 -0.15 -0.03 2.03 0.11 -1.84 -3.12 132.00 131.40 3ddp h PRO 234 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ddp h PRO 234 Cb 1.24 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ddp h PRO 234 CO 0.62 -0.10 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 3ddp n ASP 235 N -2.62 0.22 -4.78 -2.05 9.92 -0.45 -4.86 116.55 111.93 3ddp n ASP 235 Ca -0.02 -1.56 -0.36 0.00 -0.53 0.00 0.00 54.79 52.32 3ddp n ASP 235 Cb 0.07 -0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 3ddp n ASP 235 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3ddp s TYR 236 N -1.97 2.98 -0.04 1.24 6.14 -1.18 -5.00 117.35 119.52 3ddp s TYR 236 Ca 0.23 1.58 0.01 0.00 0.64 0.00 0.00 57.07 59.53 3ddp s TYR 236 Cb 0.11 -3.24 0.02 0.00 0.42 0.00 0.00 41.96 39.27 3ddp s TYR 236 CO 0.18 -1.14 -0.06 0.15 0.64 0.00 0.00 175.55 175.33 3ddp s LYS 237 N -2.83 0.92 0.59 4.97 -0.14 -1.26 -4.98 119.74 117.01 3ddp s LYS 237 Ca 0.64 -0.15 0.35 0.00 -1.36 0.00 0.00 55.97 55.45 3ddp s LYS 237 Cb -0.24 -0.89 1.88 0.00 -1.68 0.00 0.00 37.83 36.90 3ddp s LYS 237 CO 0.29 -0.05 2.21 -1.35 -0.76 0.00 0.00 175.35 175.69 3ddp h PRO 238 N 7.07 0.00 0.00 -1.68 0.11 -1.97 -2.99 132.00 132.53 3ddp h PRO 238 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ddp h PRO 238 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ddp h PRO 238 CO 0.48 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 3ddp n SER 239 N -3.42 0.00 -4.77 -2.05 3.41 -1.26 -4.77 113.62 100.76 3ddp n SER 239 Ca -0.02 -0.48 -0.38 0.00 -0.26 0.00 0.00 58.87 57.73 3ddp n SER 239 Cb 0.15 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3ddp n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ddp s PHE 240 N -2.02 3.00 0.75 7.33 0.08 -1.13 -5.03 117.98 120.95 3ddp s PHE 240 Ca 0.24 1.55 -0.13 0.00 0.12 0.00 0.00 56.93 58.71 3ddp s PHE 240 Cb 0.11 -3.37 0.05 0.00 -0.57 0.00 0.00 43.02 39.24 3ddp s PHE 240 CO 0.19 -1.35 1.13 -2.14 -0.10 0.00 0.00 175.22 172.94 3ddp s PRO 241 N -2.49 2.25 -0.49 0.24 0.02 -1.26 -5.01 135.00 128.25 3ddp s PRO 241 Ca 0.60 1.40 -0.09 0.00 0.02 0.00 0.00 61.00 62.94 3ddp s PRO 241 Cb -0.29 -1.88 0.13 0.00 0.02 0.00 0.00 34.50 32.48 3ddp s PRO 241 CO 0.36 -1.68 0.37 0.15 -0.33 0.00 0.00 177.00 175.86 3ddp s LYS 242 N -4.41 2.51 -0.06 5.54 1.02 -1.26 -4.79 119.74 118.29 3ddp s LYS 242 Ca 0.66 -1.85 -0.16 0.00 0.02 0.00 0.00 55.97 54.64 3ddp s LYS 242 Cb -0.21 -3.93 -0.05 0.00 -0.52 0.00 0.00 37.83 33.12 3ddp s LYS 242 CO 0.49 -1.20 0.43 -1.58 -0.92 0.00 0.00 175.35 172.57 3ddp s TRP 243 N 1.21 3.62 0.50 3.18 0.51 -1.26 -4.93 118.94 121.77 3ddp s TRP 243 Ca 0.07 0.92 -0.20 0.00 -2.12 0.00 0.00 56.10 54.77 3ddp s TRP 243 Cb -0.25 -2.40 -0.08 0.00 -0.81 0.00 0.00 33.47 29.93 3ddp s TRP 243 CO -0.01 0.42 1.07 0.00 -0.51 0.00 0.00 176.95 177.92 3ddp s ALA 244 N -0.27 2.84 0.14 0.98 0.00 -1.26 -1.56 121.76 122.63 3ddp s ALA 244 Ca 0.24 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 3ddp s ALA 244 Cb -0.16 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3ddp s ALA 244 CO 0.11 -0.45 1.51 0.50 0.00 0.00 0.00 175.76 177.44 3ddp s ARG 245 N -3.19 4.25 0.14 0.00 3.52 -1.26 -4.35 118.95 118.06 3ddp s ARG 245 Ca 0.68 2.26 -0.30 0.00 -0.13 0.00 0.00 55.73 58.24 3ddp s ARG 245 Cb -0.19 -3.22 -0.07 0.00 -1.56 0.00 0.00 34.95 29.91 3ddp s ARG 245 CO 0.23 -0.56 1.22 -1.14 -0.81 0.00 0.00 175.30 174.24 3ddp s GLN 246 N 1.23 4.46 0.04 5.12 0.74 -1.20 -4.94 119.66 125.11 3ddp s GLN 246 Ca 0.68 1.87 -0.30 0.00 0.05 0.00 0.00 55.36 57.66 3ddp s GLN 246 Cb -0.41 -3.27 -0.08 0.00 1.10 0.00 0.00 33.01 30.35 3ddp s GLN 246 CO 0.31 -0.17 1.63 0.34 -0.55 0.00 0.00 175.29 176.85 3ddp s ASP 247 N 0.49 6.64 0.56 6.67 3.68 -1.26 -4.88 116.67 128.57 3ddp s ASP 247 Ca 0.56 2.41 0.28 0.00 2.13 0.00 0.00 52.55 57.93 3ddp s ASP 247 Cb -0.32 -2.56 1.48 0.00 -1.45 0.00 0.00 42.92 40.07 3ddp s ASP 247 CO 0.34 -0.88 1.95 -0.26 0.13 0.00 0.00 175.17 176.45 3ddp h PHE 248 N 8.49 0.00 -0.72 -5.34 -1.00 -1.96 -1.12 116.94 115.30 3ddp h PHE 248 Ca -0.42 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.45 3ddp h PHE 248 Cb 1.20 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.71 3ddp h PHE 248 CO 0.79 0.00 0.47 0.66 -1.61 0.00 0.00 178.31 178.63 3ddp h SER 249 N 0.00 0.59 -3.59 2.17 4.64 -1.90 -2.42 113.55 113.03 3ddp h SER 249 Ca 0.24 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.90 3ddp h SER 249 Cb 1.13 -0.11 -0.17 0.00 -0.31 0.00 0.00 62.40 62.94 3ddp h SER 249 CO -0.00 0.36 -0.19 -0.54 -0.87 0.00 0.00 176.83 175.59 3ddp s LYS 250 N -5.60 3.35 -0.50 4.77 3.01 -0.42 -2.43 119.74 121.92 3ddp s LYS 250 Ca -0.09 -0.52 0.04 0.00 -1.01 0.00 0.00 55.97 54.38 3ddp s LYS 250 Cb 0.20 -3.89 0.16 0.00 -1.01 0.00 0.00 37.83 33.29 3ddp s LYS 250 CO 0.77 -0.72 0.35 0.54 0.51 0.00 0.00 175.35 176.80 3ddp s VAL 251 N 2.18 1.37 -0.44 3.17 0.11 -1.20 -4.35 120.40 121.25 3ddp s VAL 251 Ca 0.14 -3.06 0.08 0.00 -2.93 0.00 0.00 61.98 56.21 3ddp s VAL 251 Cb -0.16 -1.93 0.28 0.00 -1.53 0.00 0.00 36.38 33.04 3ddp s VAL 251 CO 0.13 -1.06 0.65 0.52 -3.33 0.00 0.00 175.10 172.01 3ddp n VAL 252 N 2.83 0.28 0.19 2.04 0.31 -0.92 -5.02 118.33 118.04 3ddp n VAL 252 Ca 0.20 -4.50 -0.15 0.00 -0.01 0.00 0.00 64.34 59.88 3ddp n VAL 252 Cb 0.40 -1.48 -0.08 0.00 -0.91 0.00 0.00 33.84 31.77 3ddp n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3ddp h PRO 253 N 3.67 -0.43 0.00 5.55 0.11 -1.81 -3.09 132.00 135.99 3ddp h PRO 253 Ca 0.10 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 3ddp h PRO 253 Cb 0.83 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3ddp h PRO 253 CO 0.56 -0.29 -0.16 -1.00 -0.21 0.00 0.00 178.00 176.90 3ddp h PRO 254 N -0.45 0.00 -6.94 1.05 0.13 -1.90 -3.45 132.00 120.43 3ddp h PRO 254 Ca -0.03 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.55 3ddp h PRO 254 Cb 0.37 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.62 3ddp h PRO 254 CO 0.04 0.16 0.71 -0.11 -0.23 0.00 0.00 178.00 178.57 3ddp n LEU 255 N -3.30 4.81 0.00 1.56 7.94 -1.17 -5.01 117.00 121.84 3ddp n LEU 255 Ca 0.00 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3ddp n LEU 255 Cb 0.41 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.76 3ddp n LEU 255 CO 0.32 -0.07 0.00 -0.90 -1.11 0.00 0.00 177.39 175.63 3ddp n ASP 256 N 0.17 0.00 0.41 1.96 5.75 -1.26 -4.87 116.55 118.71 3ddp n ASP 256 Ca 0.04 -0.28 -0.19 0.00 -0.01 0.00 0.00 54.79 54.34 3ddp n ASP 256 Cb 0.40 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 3ddp n ASP 256 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3ddp h GLU 257 N 0.00 -1.11 -0.09 0.11 4.22 -2.00 -3.01 114.58 112.70 3ddp h GLU 257 Ca 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 3ddp h GLU 257 Cb 0.00 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ddp h GLU 257 CO 0.00 -0.74 -0.00 -0.44 -2.18 0.00 0.00 179.01 175.65 3ddp h ASP 258 N -1.15 0.16 -0.61 1.04 3.32 -1.97 -2.94 116.42 114.26 3ddp h ASP 258 Ca -0.10 -0.32 0.10 0.00 0.02 0.00 0.00 57.03 56.74 3ddp h ASP 258 Cb 0.93 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.36 3ddp h ASP 258 CO 0.09 0.44 0.19 1.23 -1.72 0.00 0.00 179.24 179.47 3ddp h GLY 259 N -0.12 0.83 1.42 2.75 0.00 -1.94 -1.39 103.07 104.62 3ddp h GLY 259 Ca 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 3ddp h GLY 259 CO 0.01 -0.06 0.05 3.21 0.00 0.00 0.00 176.54 179.75 3ddp h ARG 260 N 0.35 0.72 0.10 4.80 3.08 -1.53 0.38 114.38 122.28 3ddp h ARG 260 Ca 0.31 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3ddp h ARG 260 Cb 0.43 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3ddp h ARG 260 CO -0.35 0.69 -0.13 1.03 -1.07 0.00 0.00 179.97 180.15 3ddp h SER 261 N 0.68 -0.35 -0.18 7.04 0.87 -1.13 -1.45 113.55 119.04 3ddp h SER 261 Ca 0.15 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3ddp h SER 261 Cb 0.34 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3ddp h SER 261 CO 0.01 -0.19 0.12 0.25 -0.53 0.00 0.00 176.83 176.48 3ddp h LEU 262 N -0.27 0.20 -0.32 2.23 5.85 -0.65 -2.02 115.31 120.34 3ddp h LEU 262 Ca 0.01 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3ddp h LEU 262 Cb 0.27 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3ddp h LEU 262 CO -0.06 0.15 0.08 0.25 -0.34 0.00 0.00 178.44 178.52 3ddp h LEU 263 N 0.24 0.04 -0.47 2.25 5.85 -0.13 0.19 115.31 123.28 3ddp h LEU 263 Ca 0.07 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3ddp h LEU 263 Cb -0.03 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3ddp h LEU 263 CO -0.01 0.06 0.27 0.77 -0.34 0.00 0.00 178.44 179.18 3ddp h SER 264 N 0.20 0.42 -0.59 1.25 4.64 -1.16 0.32 113.55 118.62 3ddp h SER 264 Ca 0.15 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 3ddp h SER 264 Cb 0.15 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3ddp h SER 264 CO -0.19 0.30 0.30 1.56 -0.87 0.00 0.00 176.83 177.94 3ddp h GLN 265 N 0.53 0.87 0.00 4.77 4.20 -0.54 -0.11 115.11 124.84 3ddp h GLN 265 Ca 0.19 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3ddp h GLN 265 Cb 0.04 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3ddp h GLN 265 CO -0.10 0.67 -0.42 0.52 -0.67 0.00 0.00 178.83 178.83 3ddp h MET 266 N 0.87 0.00 -0.74 1.46 2.86 -0.08 -2.68 114.93 116.62 3ddp h MET 266 Ca 0.22 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.46 3ddp h MET 266 Cb 0.08 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.51 3ddp h MET 266 CO -0.03 0.42 0.33 1.28 1.06 0.00 0.00 176.91 179.98 3ddp n LEU 267 N -3.98 5.74 -4.77 1.22 4.77 0.05 -4.15 117.00 115.88 3ddp n LEU 267 Ca -0.02 -3.78 -0.38 0.00 -0.03 0.00 0.00 56.01 51.81 3ddp n LEU 267 Cb 0.46 -0.76 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3ddp n LEU 267 CO 0.39 1.21 0.87 -2.28 -1.33 0.00 0.00 177.39 176.25 3ddp s HIS 268 N -3.34 2.79 -0.04 -1.77 2.46 -0.79 -4.96 115.29 109.64 3ddp s HIS 268 Ca 0.53 1.50 -0.25 0.00 0.47 0.00 0.00 55.06 57.30 3ddp s HIS 268 Cb 0.45 -3.48 -0.20 0.00 -0.13 0.00 0.00 32.58 29.22 3ddp s HIS 268 CO 0.05 -1.78 1.14 1.88 -2.47 0.00 0.00 174.74 173.56 3ddp h TYR 269 N 2.07 -0.06 -2.83 3.88 0.05 -1.91 -3.44 116.97 114.74 3ddp h TYR 269 Ca -0.50 -0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.72 3ddp h TYR 269 Cb 1.25 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.98 3ddp h TYR 269 CO 0.52 0.47 1.06 0.34 -1.05 0.00 0.00 178.16 179.50 3ddp s ASP 270 N -5.67 6.55 0.47 3.88 -1.08 -1.26 -4.87 116.67 114.68 3ddp s ASP 270 Ca -0.16 1.64 0.23 0.00 -0.52 0.00 0.00 52.55 53.74 3ddp s ASP 270 Cb 0.01 -2.53 1.25 0.00 -1.46 0.00 0.00 42.92 40.19 3ddp s ASP 270 CO 0.63 -1.11 1.88 -0.65 0.52 0.00 0.00 175.17 176.44 3ddp h PRO 271 N 9.96 0.22 -0.01 4.34 0.11 -1.96 0.93 132.00 145.60 3ddp h PRO 271 Ca -0.32 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.59 3ddp h PRO 271 Cb 1.14 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ddp h PRO 271 CO 1.00 0.15 -0.82 -0.91 -0.21 0.00 0.00 178.00 177.20 3ddp h ASN 272 N 0.23 0.24 0.27 -2.05 2.35 -1.97 -3.29 115.58 111.36 3ddp h ASN 272 Ca 0.44 -0.19 -0.28 0.00 -0.55 0.00 0.00 56.30 55.72 3ddp h ASN 272 Cb 1.35 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 39.67 3ddp h ASN 272 CO -0.11 0.96 -1.20 0.11 -1.65 0.00 0.00 177.43 175.55 3ddp h LYS 273 N 0.11 0.52 -6.28 0.81 1.79 -1.29 -3.47 116.57 108.76 3ddp h LYS 273 Ca -0.04 -0.70 -0.63 0.00 -2.18 0.00 0.00 60.65 57.11 3ddp h LYS 273 Cb 1.43 0.23 0.12 0.00 -1.58 0.00 0.00 32.23 32.43 3ddp h LYS 273 CO 0.12 1.30 -0.21 -2.13 -1.08 0.00 0.00 179.45 177.46 3ddp n ARG 274 N -3.73 0.74 -2.03 3.15 0.63 -0.20 -4.90 116.66 110.31 3ddp n ARG 274 Ca -0.12 0.26 -0.36 0.00 -0.92 0.00 0.00 57.85 56.71 3ddp n ARG 274 Cb 0.97 -1.49 0.03 0.00 0.45 0.00 0.00 32.46 32.42 3ddp n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3ddp s ILE 275 N -1.13 2.64 0.36 5.15 2.07 -1.01 -5.03 121.20 124.26 3ddp s ILE 275 Ca 0.61 0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 60.18 3ddp s ILE 275 Cb -0.76 -3.18 -0.06 0.00 0.13 0.00 0.00 42.46 38.59 3ddp s ILE 275 CO 0.58 -0.07 0.70 -0.94 -1.91 0.00 0.00 174.94 173.30 3ddp s SER 276 N -1.51 6.50 0.12 4.50 1.04 -1.26 -4.92 113.70 118.17 3ddp s SER 276 Ca 0.75 0.99 -0.21 0.00 0.48 0.00 0.00 55.95 57.96 3ddp s SER 276 Cb -0.31 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3ddp s SER 276 CO 0.34 -0.33 1.69 0.00 0.98 0.00 0.00 173.24 175.93 3ddp h ALA 277 N 1.42 0.03 -0.59 5.32 0.00 -1.95 0.60 119.26 124.08 3ddp h ALA 277 Ca -0.47 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.61 3ddp h ALA 277 Cb 1.19 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 3ddp h ALA 277 CO 0.65 -0.53 0.10 -0.22 0.00 0.00 0.00 179.25 179.24 3ddp h LYS 278 N -0.08 0.22 0.00 0.00 3.64 -1.93 0.47 116.57 118.88 3ddp h LYS 278 Ca 0.08 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3ddp h LYS 278 Cb 0.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3ddp h LYS 278 CO -0.19 0.15 -0.39 0.00 -2.27 0.00 0.00 179.45 176.74 3ddp h ALA 279 N 1.48 1.22 0.00 5.00 0.00 -1.78 -2.81 119.26 122.38 3ddp h ALA 279 Ca 0.31 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3ddp h ALA 279 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ddp h ALA 279 CO -0.42 0.49 -0.36 0.00 0.00 0.00 0.00 179.25 178.96 3ddp h ALA 280 N 1.61 1.05 0.00 0.00 0.00 0.23 -3.03 119.26 119.12 3ddp h ALA 280 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3ddp h ALA 280 Cb 0.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ddp h ALA 280 CO 0.05 0.45 -0.14 -0.07 0.00 0.00 0.00 179.25 179.54 3ddp h LEU 281 N 0.00 0.00 0.00 0.00 3.38 -0.94 -2.80 115.31 114.95 3ddp h LEU 281 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ddp h LEU 281 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3ddp h LEU 281 CO 0.05 0.14 -0.66 0.00 0.09 0.00 0.00 178.44 178.06 3ddp h ALA 282 N 1.86 0.68 -1.98 1.53 0.00 -1.62 -3.47 119.26 116.26 3ddp h ALA 282 Ca -0.00 -0.05 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 3ddp h ALA 282 Cb 0.67 0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.56 3ddp h ALA 282 CO 0.02 0.05 0.30 1.58 0.00 0.00 0.00 179.25 181.20 3ddp n HIS 283 N -2.85 1.51 0.27 0.00 -0.00 -1.06 -4.86 115.22 108.23 3ddp n HIS 283 Ca 0.01 0.63 0.18 0.00 -0.00 0.00 0.00 57.72 58.54 3ddp n HIS 283 Cb 0.56 -2.31 0.90 0.00 -0.00 0.00 0.00 29.99 29.14 3ddp n HIS 283 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3ddp h PRO 284 N 3.01 0.00 -0.68 1.57 0.11 -1.92 -1.95 132.00 132.14 3ddp h PRO 284 Ca -0.42 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.79 3ddp h PRO 284 Cb 1.33 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 3ddp h PRO 284 CO 0.67 0.00 0.45 0.35 -0.21 0.00 0.00 178.00 179.26 3ddp h PHE 285 N 0.00 0.56 -0.04 0.65 3.57 -1.89 -2.67 116.94 117.11 3ddp h PHE 285 Ca 0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3ddp h PHE 285 Cb 0.53 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3ddp h PHE 285 CO 0.00 0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.53 3ddp n PHE 286 N -4.48 0.04 -0.01 0.41 3.72 -0.73 -4.41 117.46 111.99 3ddp n PHE 286 Ca 0.11 -0.02 0.05 0.00 -0.05 0.00 0.00 57.45 57.55 3ddp n PHE 286 Cb 0.37 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.34 3ddp n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3ddp h GLN 287 N 2.80 0.51 -0.01 -1.08 3.07 -1.63 -2.55 115.11 116.21 3ddp h GLN 287 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 3ddp h GLN 287 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.04 3ddp h GLN 287 CO 0.00 0.34 -0.11 -0.40 0.09 0.00 0.00 178.83 178.75 3ddp n ASP 288 N -4.48 1.57 -4.60 0.06 3.85 -1.26 -5.01 116.55 106.67 3ddp n ASP 288 Ca 0.04 -1.37 -0.41 0.00 -0.71 0.00 0.00 54.79 52.34 3ddp n ASP 288 Cb 0.12 0.07 0.02 0.00 -1.35 0.00 0.00 41.12 39.98 3ddp n ASP 288 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3ddp n VAL 289 N 0.05 2.59 -3.56 2.12 3.14 -0.97 -5.04 118.33 116.66 3ddp n VAL 289 Ca 0.16 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 3ddp n VAL 289 Cb 0.39 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 3ddp n VAL 289 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3ddp n THR 290 N -0.72 0.00 -3.77 1.55 -2.24 -1.26 -5.12 114.28 102.72 3ddp n THR 290 Ca 0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 3ddp n THR 290 Cb 0.41 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.51 3ddp n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ddp s LYS 291 N -0.69 1.80 0.82 -0.78 2.20 -1.26 -4.64 119.74 117.20 3ddp s LYS 291 Ca 0.00 -2.65 -0.12 0.00 -0.36 0.00 0.00 55.97 52.84 3ddp s LYS 291 Cb 0.00 -2.76 0.09 0.00 -1.51 0.00 0.00 37.83 33.64 3ddp s LYS 291 CO 0.00 -1.24 1.11 -2.14 -0.36 0.00 0.00 175.35 172.71 3ddp s PRO 292 N -0.52 1.86 -0.19 4.03 0.02 -1.26 -4.98 135.00 133.97 3ddp s PRO 292 Ca 0.23 0.57 -0.08 0.00 0.02 0.00 0.00 61.00 61.73 3ddp s PRO 292 Cb -0.12 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 3ddp s PRO 292 CO -0.10 -1.76 0.09 0.08 -0.33 0.00 0.00 177.00 174.98 3ddp s VAL 293 N -3.18 5.01 0.15 3.83 1.01 -1.26 -4.20 120.40 121.77 3ddp s VAL 293 Ca 0.61 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 62.32 3ddp s VAL 293 Cb -0.15 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.85 3ddp s VAL 293 CO 0.54 0.46 1.78 -0.81 0.00 0.00 0.00 175.10 177.07 3ddp n PRO 294 N 3.48 2.72 0.00 2.72 -0.04 -1.26 -4.94 135.00 137.68 3ddp n PRO 294 Ca -0.16 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 3ddp n PRO 294 Cb 0.52 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 3ddp n PRO 294 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3ddp n HIS 295 N 4.86 0.00 -1.59 0.54 1.44 -1.26 -4.79 115.22 114.41 3ddp n HIS 295 Ca 0.17 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.59 3ddp n HIS 295 Cb 0.35 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.66 3ddp n HIS 295 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3ddp s LEU 296 N -0.71 1.93 0.00 2.39 1.43 -1.26 -4.88 118.68 117.58 3ddp s LEU 296 Ca 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3ddp s LEU 296 Cb 0.00 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3ddp s LEU 296 CO 0.00 -3.14 0.24 -1.14 0.23 0.00 0.00 176.35 172.54 3ddp n ARG 297 N -4.08 0.29 -0.29 1.70 0.63 -1.26 -5.18 116.66 108.47 3ddp n ARG 297 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3ddp n ARG 297 Cb 0.59 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 32.46 3ddp n ARG 297 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40