#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 0.00 0.00 7.83 8.00 -1.26 -5.20 116.55 125.93 1ddb n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddb n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ddb n ASP 2 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ddb n SER 3 N 0.00 0.00 -4.89 -2.24 3.41 -1.26 -5.18 113.62 103.46 1ddb n SER 3 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1ddb n SER 3 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ddb n SER 3 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1ddb s GLU 4 N -2.00 2.23 -0.09 4.33 -1.05 -1.26 -5.14 118.70 115.73 1ddb s GLU 4 Ca 0.00 -2.15 -0.32 0.00 -0.15 0.00 0.00 54.97 52.35 1ddb s GLU 4 Cb 0.00 -1.96 0.13 0.00 -0.44 0.00 0.00 34.13 31.85 1ddb s GLU 4 CO 0.00 -0.62 1.24 0.54 0.95 0.00 0.00 175.26 177.37 1ddb s VAL 5 N -2.82 0.00 0.00 1.83 0.11 -1.26 -5.15 120.40 113.11 1ddb s VAL 5 Ca 0.26 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1ddb s VAL 5 Cb -0.02 -1.54 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 1ddb s VAL 5 CO 0.16 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.73 1ddb n SER 6 N -0.31 -1.64 0.00 3.54 7.64 -1.26 -5.08 113.62 116.51 1ddb n SER 6 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ddb n SER 6 Cb 0.61 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1ddb n SER 6 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ddb n ASN 7 N -0.14 0.00 -3.11 6.43 5.15 -1.26 -5.18 115.26 117.14 1ddb n ASN 7 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 1ddb n ASN 7 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1ddb n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddb n GLY 8 N 0.00 0.40 3.48 8.20 0.00 -1.26 -5.18 105.19 110.83 1ddb n GLY 8 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1ddb n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ddb s SER 9 N -3.13 0.90 0.00 1.61 0.01 -1.26 -3.66 113.70 108.17 1ddb s SER 9 Ca 0.22 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1ddb s SER 9 Cb -0.01 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1ddb s SER 9 CO 0.00 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 172.98 1ddb n GLY 10 N -0.56 0.30 2.51 3.44 0.00 -1.26 -4.95 105.19 104.67 1ddb n GLY 10 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1ddb n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddb n LEU 11 N 0.00 -6.14 -3.50 0.99 4.32 -1.26 -4.95 117.00 106.47 1ddb n LEU 11 Ca 0.00 2.47 -0.08 0.00 -0.02 0.00 0.00 56.01 58.38 1ddb n LEU 11 Cb 0.00 -3.18 -0.08 0.00 -1.62 0.00 0.00 43.42 38.54 1ddb n LEU 11 CO 0.00 -3.55 -0.01 -0.83 -1.22 0.00 0.00 177.39 171.79 1ddb s GLY 12 N -0.60 -0.41 0.00 -0.72 0.00 -1.26 -4.48 107.32 99.85 1ddb s GLY 12 Ca -0.16 1.25 0.00 0.00 0.00 0.00 0.00 44.72 45.80 1ddb s GLY 12 CO 0.44 2.56 0.00 0.00 0.00 0.00 0.00 173.10 176.10 1ddb n ALA 13 N 5.38 0.00 -4.00 3.20 0.00 -1.26 -4.43 120.51 119.40 1ddb n ALA 13 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1ddb n ALA 13 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.78 1ddb n ALA 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ddb s LYS 14 N 0.00 2.40 0.15 0.00 3.01 -1.26 -4.47 119.74 119.57 1ddb s LYS 14 Ca 0.00 -0.60 -0.17 0.00 -1.01 0.00 0.00 55.97 54.20 1ddb s LYS 14 Cb 0.00 -2.16 0.04 0.00 -1.01 0.00 0.00 37.83 34.71 1ddb s LYS 14 CO 0.00 -0.22 1.76 1.25 0.51 0.00 0.00 175.35 178.65 1ddb h HIS 15 N 7.98 0.25 -0.21 3.18 2.76 -1.93 0.11 115.15 127.29 1ddb h HIS 15 Ca -0.39 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.82 1ddb h HIS 15 Cb 1.14 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 1ddb h HIS 15 CO 0.47 0.12 0.08 0.97 -1.30 0.00 0.00 177.93 178.27 1ddb h ILE 16 N 0.30 0.96 0.22 6.26 6.09 -1.97 0.30 117.51 129.66 1ddb h ILE 16 Ca 0.15 -0.06 -0.01 0.00 -1.37 0.00 0.00 64.86 63.57 1ddb h ILE 16 Cb 0.10 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 1ddb h ILE 16 CO -0.14 0.03 -0.24 0.74 -3.07 0.00 0.00 178.15 175.48 1ddb h THR 17 N 0.19 0.00 -1.00 2.19 2.02 -1.80 -0.95 112.91 113.57 1ddb h THR 17 Ca 0.09 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.51 1ddb h THR 17 Cb 0.05 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.38 1ddb h THR 17 CO -0.09 0.00 0.65 -2.24 0.37 0.00 0.00 175.52 174.21 1ddb h ASP 18 N -0.46 0.44 -0.47 4.18 3.04 -0.73 1.14 116.42 123.56 1ddb h ASP 18 Ca -0.03 0.07 0.04 0.00 -3.24 0.00 0.00 57.03 53.87 1ddb h ASP 18 Cb 0.40 -0.01 -0.03 0.00 -1.04 0.00 0.00 39.33 38.66 1ddb h ASP 18 CO -0.04 0.12 0.31 -0.07 -2.04 0.00 0.00 179.24 177.53 1ddb h LEU 19 N 0.41 0.42 -0.33 0.15 3.38 0.54 0.90 115.31 120.77 1ddb h LEU 19 Ca 0.55 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.47 1ddb h LEU 19 Cb 1.38 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1ddb h LEU 19 CO -0.25 0.28 0.05 0.25 0.09 0.00 0.00 178.44 178.86 1ddb h LEU 20 N 0.48 0.54 0.42 1.67 7.12 0.27 2.28 115.31 128.08 1ddb h LEU 20 Ca 0.19 -0.27 -0.02 0.00 0.13 0.00 0.00 57.88 57.92 1ddb h LEU 20 Cb 0.17 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 1ddb h LEU 20 CO -0.05 0.67 -0.20 1.62 -0.13 0.00 0.00 178.44 180.35 1ddb h VAL 21 N 0.38 0.00 -0.24 1.05 3.04 -0.90 2.06 116.25 121.64 1ddb h VAL 21 Ca 0.10 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.69 1ddb h VAL 21 Cb 0.36 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.63 1ddb h VAL 21 CO 0.01 0.00 0.09 0.15 -1.01 0.00 0.00 177.57 176.81 1ddb h PHE 22 N -0.65 0.32 0.01 3.17 3.57 -0.94 -2.10 116.94 120.32 1ddb h PHE 22 Ca -0.06 -0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.20 1ddb h PHE 22 Cb 0.43 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.08 1ddb h PHE 22 CO 0.10 0.26 -0.99 0.78 -2.23 0.00 0.00 178.31 176.23 1ddb h GLY 23 N 0.47 0.55 0.32 2.40 0.00 0.39 -2.96 103.07 104.23 1ddb h GLY 23 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 47.33 46.46 1ddb h GLY 23 CO -0.01 0.86 -0.37 -2.75 0.00 0.00 0.00 176.54 174.28 1ddb h PHE 24 N 0.27 -1.02 -0.50 5.60 3.04 0.40 0.30 116.94 125.03 1ddb h PHE 24 Ca -0.10 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.91 1ddb h PHE 24 Cb 1.64 0.44 -0.04 0.00 2.56 0.00 0.00 35.95 40.55 1ddb h PHE 24 CO 0.07 -0.47 0.27 -0.07 -2.02 0.00 0.00 178.31 176.09 1ddb h LEU 25 N -0.58 0.40 -1.74 0.59 4.07 -1.61 -0.26 115.31 116.20 1ddb h LEU 25 Ca 0.04 0.02 0.19 0.00 0.08 0.00 0.00 57.88 58.21 1ddb h LEU 25 Cb 0.62 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 1ddb h LEU 25 CO -0.24 0.28 0.54 -0.61 -1.08 0.00 0.00 178.44 177.33 1ddb h GLN 26 N 0.53 0.23 0.00 1.13 4.15 -1.19 -3.15 115.11 116.80 1ddb h GLN 26 Ca 0.21 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1ddb h GLN 26 Cb 0.09 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1ddb h GLN 26 CO -0.13 0.15 0.00 0.45 -1.93 0.00 0.00 178.83 177.37 1ddb n SER 27 N -4.42 0.00 -2.55 -0.69 2.88 0.03 -4.87 113.62 104.00 1ddb n SER 27 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1ddb n SER 27 Cb 0.70 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.21 1ddb n SER 27 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ddb n SER 28 N 0.00 0.98 0.00 -3.46 7.64 -1.16 -4.93 113.62 112.70 1ddb n SER 28 Ca 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1ddb n SER 28 Cb 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ddb n GLY 29 N -0.54 1.59 0.00 0.23 0.00 -1.18 -4.35 105.19 100.94 1ddb n GLY 29 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ddb n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s THR 31 N 0.00 0.01 0.13 0.00 2.01 -1.26 -5.00 115.64 111.53 1ddb s THR 31 Ca 0.00 -1.58 -0.27 0.00 0.31 0.00 0.00 61.69 60.15 1ddb s THR 31 Cb 0.00 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1ddb s THR 31 CO 0.00 -0.05 1.61 0.08 -0.69 0.00 0.00 174.62 175.57 1ddb h ARG 32 N 2.41 -0.42 -0.12 4.92 0.11 -1.95 0.25 114.38 119.58 1ddb h ARG 32 Ca -0.30 0.03 0.03 0.00 0.10 0.00 0.00 59.98 59.84 1ddb h ARG 32 Cb 1.25 0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.42 1ddb h ARG 32 CO 0.43 -0.28 0.12 -0.56 0.10 0.00 0.00 179.97 179.77 1ddb h GLN 33 N -0.43 0.00 0.37 0.08 3.07 -1.98 -2.23 115.11 113.99 1ddb h GLN 33 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.80 1ddb h GLN 33 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1ddb h GLN 33 CO -0.32 0.00 -0.18 1.49 0.09 0.00 0.00 178.83 179.91 1ddb h GLU 34 N 0.00 -0.48 -1.03 0.06 4.57 -1.00 0.22 114.58 116.92 1ddb h GLU 34 Ca 0.06 0.03 0.27 0.00 -1.18 0.00 0.00 59.36 58.54 1ddb h GLU 34 Cb 0.29 0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 28.87 1ddb h GLU 34 CO -0.00 -0.16 0.62 1.37 -1.18 0.00 0.00 179.01 179.66 1ddb h LEU 35 N -0.93 0.57 0.10 1.64 8.10 -0.42 1.14 115.31 125.51 1ddb h LEU 35 Ca -0.05 0.13 -0.00 0.00 0.11 0.00 0.00 57.88 58.07 1ddb h LEU 35 Cb 0.54 0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1ddb h LEU 35 CO 0.08 0.04 -0.05 -0.08 -4.11 0.00 0.00 178.44 174.33 1ddb h GLU 36 N 0.47 -0.12 0.40 0.17 4.81 -1.37 1.61 114.58 120.54 1ddb h GLU 36 Ca 0.66 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.89 1ddb h GLU 36 Cb 1.44 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 1ddb h GLU 36 CO -0.45 0.39 -0.43 -0.24 -0.73 0.00 0.00 179.01 177.55 1ddb h VAL 37 N -0.75 0.15 -0.34 0.32 3.04 0.16 0.84 116.25 119.67 1ddb h VAL 37 Ca -0.01 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.60 1ddb h VAL 37 Cb 0.57 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 1ddb h VAL 37 CO 0.02 0.00 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.44 1ddb h LEU 38 N -0.85 0.65 -0.30 3.16 3.38 0.11 -3.12 115.31 118.34 1ddb h LEU 38 Ca -0.04 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.64 1ddb h LEU 38 Cb 0.76 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1ddb h LEU 38 CO -0.08 0.86 -0.16 1.23 0.09 0.00 0.00 178.44 180.38 1ddb h GLY 39 N 0.43 0.07 -3.71 0.83 0.00 0.27 -0.70 103.07 100.26 1ddb h GLY 39 Ca 0.09 0.20 -0.28 0.00 0.00 0.00 0.00 47.33 47.34 1ddb h GLY 39 CO 0.03 -0.17 0.21 -0.96 0.00 0.00 0.00 176.54 175.65 1ddb n ARG 40 N -5.33 1.81 -3.47 4.80 1.85 0.29 -4.65 116.66 111.95 1ddb n ARG 40 Ca 0.00 -1.35 -0.23 0.00 -1.00 0.00 0.00 57.85 55.28 1ddb n ARG 40 Cb 0.25 -1.67 -0.12 0.00 -1.05 0.00 0.00 32.46 29.86 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1ddb s GLU 41 N -1.00 0.25 -0.06 2.89 0.41 -0.27 -4.91 118.70 116.02 1ddb s GLU 41 Ca 0.37 -0.30 -0.13 0.00 -0.41 0.00 0.00 54.97 54.51 1ddb s GLU 41 Cb 0.24 -0.93 -0.05 0.00 -1.78 0.00 0.00 34.13 31.61 1ddb s GLU 41 CO -0.05 -1.00 0.32 -1.17 -0.49 0.00 0.00 175.26 172.87 1ddb s LEU 42 N 2.24 4.42 0.00 1.80 0.20 -1.24 -4.86 118.68 121.23 1ddb s LEU 42 Ca 0.09 0.77 0.00 0.00 0.69 0.00 0.00 54.13 55.67 1ddb s LEU 42 Cb -0.15 -2.42 0.00 0.00 -0.43 0.00 0.00 46.19 43.19 1ddb s LEU 42 CO -0.33 0.31 0.00 -0.81 -0.29 0.00 0.00 176.35 175.23 1ddb n PRO 43 N 2.16 0.00 -4.55 0.98 -0.04 -1.26 -4.52 135.00 127.76 1ddb n PRO 43 Ca -0.15 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.09 1ddb n PRO 43 Cb 0.53 -0.10 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 1ddb n PRO 43 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ddb s VAL 44 N 0.00 1.14 0.00 0.52 1.01 -1.26 -4.83 120.40 116.98 1ddb s VAL 44 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1ddb s VAL 44 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1ddb s VAL 44 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 175.10 175.30 1ddb n GLN 45 N 2.39 0.00 -0.91 2.72 1.13 -1.26 -4.95 117.38 116.50 1ddb n GLN 45 Ca -0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 1ddb n GLN 45 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.90 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb n ALA 46 N 0.00 0.00 -1.00 -1.58 0.00 -1.26 -4.96 120.51 111.71 1ddb n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ddb n ALA 46 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N -2.32 0.00 0.00 0.00 9.36 -1.26 -4.93 117.16 118.01 1ddb n TYR 47 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ddb n TYR 47 Cb 0.17 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 1ddb n TYR 47 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ddb n TRP 48 N 0.00 0.00 -2.18 2.98 8.01 -1.26 -4.68 117.44 120.30 1ddb n TRP 48 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ddb n TRP 48 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1ddb n GLU 49 N 0.00 3.81 0.00 -0.99 0.00 -1.26 -4.91 120.64 117.29 1ddb n GLU 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ddb n GLU 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ddb n ALA 50 N -3.00 0.00 -3.00 4.31 0.00 -1.26 -4.93 120.51 112.63 1ddb n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ddb n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ddb n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ddb n ASP 51 N 0.00 0.00 -3.18 0.00 5.75 -1.26 -4.87 116.55 112.99 1ddb n ASP 51 Ca 0.00 -0.41 0.04 0.00 -0.01 0.00 0.00 54.79 54.41 1ddb n ASP 51 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1ddb n ASP 51 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ddb s LEU 52 N 0.00 -0.10 1.08 -2.12 1.98 -1.26 -5.15 118.68 113.11 1ddb s LEU 52 Ca 0.00 0.11 -0.22 0.00 -2.89 0.00 0.00 54.13 51.13 1ddb s LEU 52 Cb 0.00 1.10 0.00 0.00 0.66 0.00 0.00 46.19 47.95 1ddb s LEU 52 CO 0.00 -0.02 -0.51 -0.62 -1.89 0.00 0.00 176.35 173.31 1ddb n GLU 53 N 4.92 -1.04 -3.83 1.98 1.02 -1.26 -5.03 120.64 117.41 1ddb n GLU 53 Ca -0.08 -0.29 -0.03 0.00 -0.02 0.00 0.00 57.16 56.74 1ddb n GLU 53 Cb 0.55 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 1ddb n GLU 53 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ddb s ASP 54 N -1.56 -0.05 0.31 1.62 2.15 -1.26 -5.15 116.67 112.73 1ddb s ASP 54 Ca 0.49 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1ddb s ASP 54 Cb -0.05 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.08 1ddb s ASP 54 CO 0.66 -0.99 0.00 1.21 -0.17 0.00 0.00 175.17 175.88 1ddb n GLU 55 N -0.62 -2.59 -4.10 4.34 0.00 -1.26 -5.09 120.64 111.32 1ddb n GLU 55 Ca -0.04 1.94 -0.16 0.00 0.00 0.00 0.00 57.16 58.90 1ddb n GLU 55 Cb 0.60 -2.23 -0.04 0.00 0.00 0.00 0.00 31.44 29.77 1ddb n GLU 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1ddb n LEU 56 N -1.16 0.00 -4.02 4.31 -0.00 -1.26 -5.13 117.00 109.75 1ddb n LEU 56 Ca 0.00 -3.01 -0.32 0.00 -0.00 0.00 0.00 56.01 52.69 1ddb n LEU 56 Cb 0.05 2.41 -0.14 0.00 -0.00 0.00 0.00 43.42 45.74 1ddb n LEU 56 CO 0.00 -0.64 -0.24 -1.58 -0.00 0.00 0.00 177.39 174.93 1ddb s GLN 57 N -2.95 1.77 0.52 1.47 2.00 -1.26 -5.10 119.66 116.12 1ddb s GLN 57 Ca 0.32 -2.13 -0.03 0.00 -2.00 0.00 0.00 55.36 51.52 1ddb s GLN 57 Cb -0.00 -3.33 0.00 0.00 0.80 0.00 0.00 33.01 30.48 1ddb s GLN 57 CO 0.23 -1.02 0.79 0.95 -0.50 0.00 0.00 175.29 175.74 1ddb s THR 58 N 0.52 3.77 0.00 -0.34 -4.23 -1.26 -5.09 115.64 109.01 1ddb s THR 58 Ca 0.13 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1ddb s THR 58 Cb -0.22 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1ddb s THR 58 CO -0.05 -0.38 0.00 0.47 -0.54 0.00 0.00 174.62 174.12 1ddb n ASP 59 N -2.34 0.00 0.00 3.99 8.00 -1.26 -5.19 116.55 119.75 1ddb n ASP 59 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1ddb n ASP 59 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddb n GLY 60 N -0.69 4.26 2.86 0.44 0.00 -1.26 -5.14 105.19 105.65 1ddb n GLY 60 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.26 1ddb n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ddb s SER 61 N 0.00 -0.06 -0.30 1.61 0.01 -1.26 -5.15 113.70 108.54 1ddb s SER 61 Ca 0.00 -0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.09 1ddb s SER 61 Cb 0.00 0.45 0.17 0.00 0.21 0.00 0.00 66.02 66.85 1ddb s SER 61 CO 0.00 -0.01 1.00 -1.58 0.41 0.00 0.00 173.24 173.06 1ddb s GLN 62 N 2.38 0.27 0.37 12.44 0.74 -1.26 -5.14 119.66 129.46 1ddb s GLN 62 Ca 0.21 0.68 -0.25 0.00 0.05 0.00 0.00 55.36 56.05 1ddb s GLN 62 Cb 0.03 0.41 -0.13 0.00 1.10 0.00 0.00 33.01 34.42 1ddb s GLN 62 CO -0.19 -0.11 0.79 0.00 -0.55 0.00 0.00 175.29 175.23 1ddb n ALA 63 N 4.99 -0.86 0.00 1.58 0.00 -1.26 -4.93 120.51 120.03 1ddb n ALA 63 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ddb n ALA 63 Cb 0.53 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1ddb n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 64 N 1.12 0.00 -4.80 0.00 7.64 -1.26 -5.15 113.62 111.17 1ddb n SER 64 Ca 0.11 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.60 1ddb n SER 64 Cb 0.36 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 1ddb n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ddb s ARG 65 N -2.00 4.27 -0.42 1.43 0.52 -1.26 -4.92 118.95 116.57 1ddb s ARG 65 Ca 0.00 0.82 -0.35 0.00 -0.52 0.00 0.00 55.73 55.68 1ddb s ARG 65 Cb 0.00 -3.24 -0.15 0.00 0.52 0.00 0.00 34.95 32.07 1ddb s ARG 65 CO 0.00 0.63 1.73 -1.13 0.02 0.00 0.00 175.30 176.55 1ddb n SER 66 N 1.70 0.58 -4.73 0.23 3.41 -1.26 -4.87 113.62 108.68 1ddb n SER 66 Ca -0.09 0.52 -0.35 0.00 -0.26 0.00 0.00 58.87 58.69 1ddb n SER 66 Cb 0.50 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 1ddb n SER 66 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ddb s PHE 67 N 4.91 3.24 0.05 7.33 5.36 -1.26 -5.11 117.98 132.50 1ddb s PHE 67 Ca 0.96 0.23 -0.06 0.00 -0.96 0.00 0.00 56.93 57.10 1ddb s PHE 67 Cb -1.19 -1.79 -0.01 0.00 -0.34 0.00 0.00 43.02 39.70 1ddb s PHE 67 CO 0.52 0.52 0.11 1.21 -1.46 0.00 0.00 175.22 176.13 1ddb s ASN 68 N -1.16 0.18 0.15 6.13 3.84 -1.26 -5.08 114.94 117.74 1ddb s ASN 68 Ca 0.16 -0.58 0.00 0.00 0.21 0.00 0.00 52.86 52.65 1ddb s ASN 68 Cb -0.12 0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.84 1ddb s ASN 68 CO 0.06 -0.57 0.00 0.00 -2.79 0.00 0.00 177.10 173.80 1ddb n GLN 69 N 0.52 0.00 0.00 0.43 1.13 -1.26 -5.16 117.38 113.04 1ddb n GLN 69 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1ddb n GLN 69 Cb 0.60 -0.25 0.00 0.00 0.11 0.00 0.00 30.24 30.69 1ddb n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ddb n GLY 70 N 2.71 0.11 3.15 1.08 0.00 -1.26 -5.07 105.19 105.91 1ddb n GLY 70 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1ddb n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ddb s ARG 71 N -0.43 0.77 0.06 1.61 6.06 -1.26 -5.16 118.95 120.60 1ddb s ARG 71 Ca 0.00 -1.11 -0.28 0.00 -2.50 0.00 0.00 55.73 51.84 1ddb s ARG 71 Cb 0.00 -0.38 0.09 0.00 0.06 0.00 0.00 34.95 34.72 1ddb s ARG 71 CO 0.00 0.04 1.05 -1.50 -2.50 0.00 0.00 175.30 172.39 1ddb s ILE 72 N -2.53 0.00 0.01 4.11 2.07 -1.26 -5.16 121.20 118.44 1ddb s ILE 72 Ca 0.04 -0.39 -0.16 0.00 -1.41 0.00 0.00 60.65 58.72 1ddb s ILE 72 Cb -0.02 -1.76 -0.06 0.00 0.13 0.00 0.00 42.46 40.75 1ddb s ILE 72 CO -0.01 0.00 0.44 -1.83 -1.91 0.00 0.00 174.94 171.63 1ddb s GLU 73 N -2.98 3.99 -0.32 3.50 1.03 -1.26 -5.03 118.70 117.63 1ddb s GLU 73 Ca 0.11 0.48 -0.29 0.00 0.03 0.00 0.00 54.97 55.30 1ddb s GLU 73 Cb 0.00 -3.23 0.00 0.00 -0.80 0.00 0.00 34.13 30.10 1ddb s GLU 73 CO -0.02 0.66 1.36 -1.25 -1.33 0.00 0.00 175.26 174.69 1ddb s PRO 74 N -1.03 3.82 0.74 -4.83 0.04 -1.26 -4.98 135.00 127.51 1ddb s PRO 74 Ca 0.25 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 1ddb s PRO 74 Cb -0.17 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 1ddb s PRO 74 CO 0.14 -1.24 0.40 -3.47 0.04 0.00 0.00 177.00 172.88 1ddb n ASP 75 N 7.99 -1.69 -4.34 6.66 2.03 -1.26 -4.70 116.55 121.23 1ddb n ASP 75 Ca 0.16 0.55 -0.31 0.00 0.52 0.00 0.00 54.79 55.71 1ddb n ASP 75 Cb 0.47 -1.17 -0.07 0.00 -0.72 0.00 0.00 41.12 39.63 1ddb n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ddb n SER 76 N 0.00 2.77 -3.05 1.67 7.64 -1.26 -4.53 113.62 116.87 1ddb n SER 76 Ca 0.09 -2.67 -0.15 0.00 1.01 0.00 0.00 58.87 57.14 1ddb n SER 76 Cb 0.50 -1.57 0.01 0.00 -1.01 0.00 0.00 64.21 62.14 1ddb n SER 76 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ddb n GLU 77 N 7.99 0.99 -2.81 1.43 0.28 -1.26 -5.02 120.64 122.23 1ddb n GLU 77 Ca 0.46 -2.94 -0.04 0.00 -0.16 0.00 0.00 57.16 54.48 1ddb n GLU 77 Cb 0.45 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.83 1ddb n GLU 77 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1ddb n SER 78 N 0.30 -7.86 -4.06 -1.84 7.64 -1.26 -5.00 113.62 101.54 1ddb n SER 78 Ca 0.19 1.06 -0.30 0.00 1.01 0.00 0.00 58.87 60.83 1ddb n SER 78 Cb 0.67 -5.02 0.20 0.00 -1.01 0.00 0.00 64.21 59.05 1ddb n SER 78 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ddb s GLN 79 N -1.92 -0.07 -0.89 1.43 -0.44 -1.26 -4.85 119.66 111.66 1ddb s GLN 79 Ca 0.09 -0.21 -0.06 0.00 -2.50 0.00 0.00 55.36 52.68 1ddb s GLN 79 Cb -0.02 -1.74 -0.07 0.00 -1.64 0.00 0.00 33.01 29.53 1ddb s GLN 79 CO 0.74 -2.92 2.24 -1.91 0.50 0.00 0.00 175.29 173.94 1ddb n GLU 80 N -4.17 2.17 -3.79 1.67 4.07 -1.26 -4.68 120.64 114.65 1ddb n GLU 80 Ca 0.14 -1.44 -0.30 0.00 -0.06 0.00 0.00 57.16 55.49 1ddb n GLU 80 Cb 0.59 -2.41 -0.14 0.00 -0.06 0.00 0.00 31.44 29.42 1ddb n GLU 80 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1ddb s GLU 81 N 3.07 1.12 -0.10 5.31 2.02 -1.26 -4.94 118.70 123.93 1ddb s GLU 81 Ca 0.43 -1.63 -0.09 0.00 0.02 0.00 0.00 54.97 53.70 1ddb s GLU 81 Cb 0.12 -2.41 -0.28 0.00 0.10 0.00 0.00 34.13 31.66 1ddb s GLU 81 CO -0.03 -1.04 0.47 -0.84 0.02 0.00 0.00 175.26 173.83 1ddb h ILE 82 N 6.04 0.76 0.21 -1.63 3.07 -1.98 -3.07 117.51 120.91 1ddb h ILE 82 Ca -0.07 -2.39 0.01 0.00 1.55 0.00 0.00 64.86 63.95 1ddb h ILE 82 Cb 0.98 2.60 -0.04 0.00 -0.27 0.00 0.00 36.82 40.08 1ddb h ILE 82 CO 0.50 0.86 -0.46 0.16 -1.05 0.00 0.00 178.15 178.16 1ddb h ILE 83 N 0.03 0.09 -0.51 0.16 3.07 -1.99 0.22 117.51 118.58 1ddb h ILE 83 Ca -0.39 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.04 1ddb h ILE 83 Cb 2.02 0.09 -0.03 0.00 -0.27 0.00 0.00 36.82 38.64 1ddb h ILE 83 CO 0.11 0.00 0.34 0.45 -1.05 0.00 0.00 178.15 177.99 1ddb h HIS 84 N -0.76 0.60 -0.53 0.16 3.86 -1.95 -1.20 115.15 115.33 1ddb h HIS 84 Ca -0.00 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1ddb h HIS 84 Cb 0.74 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 1ddb h HIS 84 CO -0.36 0.36 0.30 -0.97 0.86 0.00 0.00 177.93 178.13 1ddb h ASN 85 N 0.63 0.46 -0.42 2.45 -0.73 -1.01 -0.58 115.58 116.39 1ddb h ASN 85 Ca 0.19 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 1ddb h ASN 85 Cb 0.01 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1ddb h ASN 85 CO -0.05 0.32 0.15 -0.29 -0.37 0.00 0.00 177.43 177.19 1ddb h ILE 86 N 0.59 1.20 -0.16 2.57 6.09 0.54 0.11 117.51 128.45 1ddb h ILE 86 Ca 0.22 -0.66 0.04 0.00 -1.37 0.00 0.00 64.86 63.09 1ddb h ILE 86 Cb 0.08 0.67 -0.04 0.00 0.47 0.00 0.00 36.82 38.00 1ddb h ILE 86 CO -0.12 0.25 -0.11 0.00 -3.07 0.00 0.00 178.15 175.09 1ddb h ALA 87 N 1.48 0.01 0.08 0.18 0.00 -0.44 0.23 119.26 120.80 1ddb h ALA 87 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ddb h ALA 87 Cb 0.21 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ddb h ALA 87 CO -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 179.25 178.65 1ddb h ARG 88 N -0.12 -0.11 0.00 0.00 3.08 -0.92 -2.19 114.38 114.12 1ddb h ARG 88 Ca 0.10 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ddb h ARG 88 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ddb h ARG 88 CO -0.23 0.19 0.24 1.25 -1.07 0.00 0.00 179.97 180.35 1ddb h HIS 89 N -0.41 0.00 0.79 3.04 2.76 -0.66 -1.48 115.15 119.19 1ddb h HIS 89 Ca -0.01 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1ddb h HIS 89 Cb 0.35 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.31 1ddb h HIS 89 CO 0.02 0.00 -0.38 1.25 -1.30 0.00 0.00 177.93 177.52 1ddb h LEU 90 N 0.00 -0.90 0.21 0.26 5.85 0.12 0.47 115.31 121.33 1ddb h LEU 90 Ca 0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1ddb h LEU 90 Cb 0.48 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1ddb h LEU 90 CO 0.00 -0.60 -0.41 0.00 -0.34 0.00 0.00 178.44 177.09 1ddb h ALA 91 N -1.44 -0.77 -1.19 1.25 0.00 -1.33 0.99 119.26 116.77 1ddb h ALA 91 Ca -0.11 -0.10 0.34 0.00 0.00 0.00 0.00 54.91 55.05 1ddb h ALA 91 Cb 0.81 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1ddb h ALA 91 CO 0.18 -0.99 0.84 -0.56 0.00 0.00 0.00 179.25 178.71 1ddb h GLN 92 N -0.70 0.07 -0.10 0.00 -0.00 -1.52 1.68 115.11 114.53 1ddb h GLN 92 Ca 0.00 -0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 1ddb h GLN 92 Cb 0.69 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 28.15 1ddb h GLN 92 CO -0.18 0.04 -0.61 0.82 -0.00 0.00 0.00 178.83 178.90 1ddb h ILE 93 N 0.07 1.37 -0.09 1.86 1.08 0.15 -2.59 117.51 119.35 1ddb h ILE 93 Ca 0.59 -1.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.12 1ddb h ILE 93 Cb 2.19 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 37.88 1ddb h ILE 93 CO -0.07 0.59 -0.07 1.23 -0.69 0.00 0.00 178.15 179.14 1ddb h GLY 94 N 1.34 0.01 0.93 5.37 0.00 0.38 1.28 103.07 112.37 1ddb h GLY 94 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ddb h GLY 94 CO 0.10 -0.08 0.06 -1.80 0.00 0.00 0.00 176.54 174.82 1ddb h ASP 95 N -0.08 0.15 -0.69 0.19 3.58 -1.47 -1.97 116.42 116.13 1ddb h ASP 95 Ca 0.06 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.42 1ddb h ASP 95 Cb 0.16 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1ddb h ASP 95 CO -0.14 0.20 0.46 -0.08 -2.88 0.00 0.00 179.24 176.80 1ddb h GLU 96 N 0.09 0.91 -0.98 0.28 4.81 -1.09 -2.04 114.58 116.55 1ddb h GLU 96 Ca 0.04 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1ddb h GLU 96 Cb 0.08 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 29.18 1ddb h GLU 96 CO -0.01 0.60 0.62 1.98 -0.73 0.00 0.00 179.01 181.48 1ddb h MET 97 N 0.93 0.92 -1.04 1.92 4.05 0.20 0.42 114.93 122.32 1ddb h MET 97 Ca 0.25 -0.06 0.30 0.00 -0.28 0.00 0.00 59.70 59.92 1ddb h MET 97 Cb -0.11 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.45 1ddb h MET 97 CO -0.05 0.61 1.13 0.22 0.23 0.00 0.00 176.91 179.04 1ddb h ASP 98 N 0.94 0.00 -0.51 1.39 1.82 -0.60 -0.81 116.42 118.65 1ddb h ASP 98 Ca 0.48 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 57.17 1ddb h ASP 98 Cb 0.51 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 1ddb h ASP 98 CO -0.25 0.00 -0.30 1.57 -1.61 0.00 0.00 179.24 178.65 1ddb n HIS 99 N -3.39 -0.22 -3.36 0.28 -0.00 0.14 -4.06 115.22 104.60 1ddb n HIS 99 Ca 0.23 0.64 -0.19 0.00 0.46 0.00 0.00 57.72 58.86 1ddb n HIS 99 Cb 1.45 -0.53 -0.08 0.00 -0.12 0.00 0.00 29.99 30.71 1ddb n HIS 99 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ddb s ASN 100 N -4.34 1.37 -0.82 0.26 2.47 -0.31 -5.04 114.94 108.53 1ddb s ASN 100 Ca -0.06 -1.76 0.02 0.00 0.42 0.00 0.00 52.86 51.47 1ddb s ASN 100 Cb 0.06 0.41 0.25 0.00 -1.45 0.00 0.00 41.25 40.51 1ddb s ASN 100 CO 0.32 -0.25 0.92 0.00 -3.72 0.00 0.00 177.10 174.36 1ddb n ILE 101 N 4.10 3.21 0.00 -5.21 3.06 -1.23 -4.63 119.36 118.65 1ddb n ILE 101 Ca 0.13 -5.35 0.00 0.00 -2.50 0.00 0.00 62.75 55.03 1ddb n ILE 101 Cb 0.44 -2.17 0.00 0.00 0.54 0.00 0.00 39.64 38.45 1ddb n ILE 101 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ddb n GLN 102 N 1.41 0.00 0.00 9.51 6.02 -1.26 -3.66 117.38 129.40 1ddb n GLN 102 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1ddb n GLN 102 Cb 0.38 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.64 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ddb n PRO 103 N 0.00 0.75 0.00 -1.09 -0.04 -1.26 -4.06 135.00 129.30 1ddb n PRO 103 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ddb n PRO 103 Cb 0.00 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1ddb n PRO 103 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ddb n THR 104 N -0.37 0.00 0.00 0.52 5.66 -1.26 -4.97 114.28 113.87 1ddb n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddb n THR 104 Cb 0.04 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1ddb n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddb n LEU 105 N 0.00 0.00 0.00 1.09 -0.00 -1.26 -5.05 117.00 111.78 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ddb n LEU 105 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ddb n LEU 105 CO 0.00 0.00 0.19 0.52 -0.00 0.00 0.00 177.39 178.10 1ddb n VAL 106 N 0.00 0.00 0.10 1.47 0.31 -1.26 -2.58 118.33 116.36 1ddb n VAL 106 Ca 0.00 0.82 0.05 0.00 -0.01 0.00 0.00 64.34 65.20 1ddb n VAL 106 Cb 0.00 -1.69 0.26 0.00 -0.91 0.00 0.00 33.84 31.50 1ddb n VAL 106 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ddb n ARG 107 N -0.44 0.06 0.10 5.55 0.00 -1.24 -1.22 116.66 119.48 1ddb n ARG 107 Ca 0.00 0.50 -0.13 0.00 -0.00 0.00 0.00 57.85 58.22 1ddb n ARG 107 Cb 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 32.46 30.50 1ddb n ARG 107 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1ddb h GLN 108 N 0.00 -0.21 0.88 -0.14 -0.00 -1.79 0.92 115.11 114.78 1ddb h GLN 108 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 1ddb h GLN 108 Cb 0.34 0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.87 1ddb h GLN 108 CO 0.00 -0.01 -0.42 1.37 0.00 0.00 0.00 178.83 179.77 1ddb h LEU 109 N -0.37 -1.00 -1.41 -2.39 8.10 -0.89 1.00 115.31 118.34 1ddb h LEU 109 Ca -0.02 0.03 0.17 0.00 0.11 0.00 0.00 57.88 58.17 1ddb h LEU 109 Cb 0.29 0.26 -0.07 0.00 -0.44 0.00 0.00 40.66 40.70 1ddb h LEU 109 CO 0.04 -0.67 0.57 0.00 -4.11 0.00 0.00 178.44 174.26 1ddb h ALA 110 N -1.37 2.00 0.00 0.17 0.00 -1.59 1.05 119.26 119.52 1ddb h ALA 110 Ca -0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ddb h ALA 110 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ddb h ALA 110 CO 0.20 -0.26 -0.21 0.00 0.00 0.00 0.00 179.25 178.98 1ddb h ALA 111 N 1.61 1.18 -0.06 0.00 0.00 0.13 -2.57 119.26 119.55 1ddb h ALA 111 Ca 0.44 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ddb h ALA 111 Cb 0.90 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1ddb h ALA 111 CO -0.19 0.27 -0.07 -0.56 0.00 0.00 0.00 179.25 178.70 1ddb h GLN 112 N 0.00 -0.09 -0.37 0.00 3.07 0.38 -1.35 115.11 116.75 1ddb h GLN 112 Ca -0.00 0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.63 1ddb h GLN 112 Cb 0.57 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 1ddb h GLN 112 CO 0.03 -0.06 -0.22 0.27 0.09 0.00 0.00 178.83 178.94 1ddb h PHE 113 N -0.09 0.93 -1.00 0.06 -5.15 -1.45 -1.78 116.94 108.47 1ddb h PHE 113 Ca 0.05 -0.24 0.19 0.00 -0.20 0.00 0.00 57.97 57.77 1ddb h PHE 113 Cb 0.16 -0.21 -0.10 0.00 0.22 0.00 0.00 35.95 36.02 1ddb h PHE 113 CO -0.17 1.00 0.61 1.98 -2.00 0.00 0.00 178.31 179.74 1ddb h MET 114 N 0.59 0.71 -2.22 6.09 4.05 -1.15 -3.15 114.93 119.85 1ddb h MET 114 Ca 0.08 -0.04 -0.58 0.00 -0.28 0.00 0.00 59.70 58.88 1ddb h MET 114 Cb 0.78 -0.16 -0.39 0.00 -0.80 0.00 0.00 31.60 31.03 1ddb h MET 114 CO 0.06 0.47 -0.96 0.09 0.23 0.00 0.00 176.91 176.80 1ddb n ASN 115 N -4.73 0.62 -0.00 1.39 4.13 -0.54 -4.82 115.26 111.32 1ddb n ASN 115 Ca 0.23 -2.72 -0.00 0.00 1.68 0.00 0.00 54.58 53.76 1ddb n ASN 115 Cb 0.59 -0.62 -0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ddb n GLY 116 N 1.83 -0.01 0.82 7.41 0.00 -0.68 -4.79 105.19 109.77 1ddb n GLY 116 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ddb n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ddb n SER 117 N -2.38 0.00 -2.33 1.61 2.88 -1.26 -5.09 113.62 107.05 1ddb n SER 117 Ca -0.01 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.49 1ddb n SER 117 Cb 0.51 0.15 0.01 0.00 -0.75 0.00 0.00 64.21 64.12 1ddb n SER 117 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ddb n LEU 118 N -1.91 -5.74 -4.71 2.46 7.99 -1.26 -5.02 117.00 108.82 1ddb n LEU 118 Ca 0.00 0.44 -0.27 0.00 -0.01 0.00 0.00 56.01 56.18 1ddb n LEU 118 Cb 0.00 -2.50 -0.07 0.00 -0.11 0.00 0.00 43.42 40.74 1ddb n LEU 118 CO 0.00 -1.58 -0.30 -0.55 -1.51 0.00 0.00 177.39 173.45 1ddb s SER 119 N -1.82 5.02 -1.06 -1.43 0.15 -1.26 -4.45 113.70 108.85 1ddb s SER 119 Ca 0.13 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.39 1ddb s SER 119 Cb -0.04 -1.16 0.07 0.00 -1.71 0.00 0.00 66.02 63.19 1ddb s SER 119 CO 0.48 0.09 0.33 -1.84 1.20 0.00 0.00 173.24 173.50 1ddb n GLU 120 N -0.17 -2.80 -2.46 5.44 0.28 -1.26 -1.07 120.64 118.61 1ddb n GLU 120 Ca -0.09 0.35 -0.08 0.00 -0.16 0.00 0.00 57.16 57.19 1ddb n GLU 120 Cb 0.55 -4.99 0.04 0.00 1.43 0.00 0.00 31.44 28.47 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ddb n GLU 121 N -3.38 -1.20 -2.87 3.44 1.02 -1.26 -4.43 120.64 111.96 1ddb n GLU 121 Ca -0.01 0.53 -0.03 0.00 -0.02 0.00 0.00 57.16 57.63 1ddb n GLU 121 Cb 0.53 -3.89 0.00 0.00 -0.02 0.00 0.00 31.44 28.07 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ddb n ASP 122 N -2.36 -7.62 -3.92 1.62 2.03 -0.23 -4.88 116.55 101.19 1ddb n ASP 122 Ca -0.04 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.32 1ddb n ASP 122 Cb 0.56 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.57 1ddb n ASP 122 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ddb n LYS 123 N 0.67 1.11 0.00 -0.67 2.85 -0.58 -4.87 118.16 116.67 1ddb n LYS 123 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1ddb n LYS 123 Cb 0.19 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.57 1ddb n LYS 123 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1ddb n ARG 124 N 0.00 4.88 -0.13 -1.58 1.85 -1.26 -4.68 116.66 115.74 1ddb n ARG 124 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1ddb n ARG 124 Cb 0.00 -0.57 -0.02 0.00 -1.05 0.00 0.00 32.46 30.82 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1ddb h ASN 125 N 0.00 0.82 0.05 2.89 -1.24 -1.97 -1.55 115.58 114.58 1ddb h ASN 125 Ca 0.00 -0.40 0.03 0.00 0.71 0.00 0.00 56.30 56.64 1ddb h ASN 125 Cb 0.00 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 38.77 1ddb h ASN 125 CO 0.00 1.04 -0.43 0.00 -1.29 0.00 0.00 177.43 176.75 1ddb h LEU 127 N -0.62 -0.37 -1.97 0.00 -0.00 -1.83 0.07 115.31 110.60 1ddb h LEU 127 Ca 0.03 0.03 0.43 0.00 -0.00 0.00 0.00 57.88 58.37 1ddb h LEU 127 Cb 0.67 0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 41.40 1ddb h LEU 127 CO -0.29 -0.16 1.08 0.00 -0.00 0.00 0.00 178.44 179.07 1ddb h ALA 128 N -1.45 3.39 0.00 0.17 0.00 -1.08 3.37 119.26 123.66 1ddb h ALA 128 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ddb h ALA 128 Cb 0.21 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ddb h ALA 128 CO -0.04 -1.84 -0.11 0.87 0.00 0.00 0.00 179.25 178.14 1ddb h LYS 129 N 0.00 0.00 -0.17 0.00 1.57 0.32 -1.38 116.57 116.91 1ddb h LYS 129 Ca 0.70 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.27 1ddb h LYS 129 Cb 2.85 0.00 0.01 0.00 0.08 0.00 0.00 32.23 35.16 1ddb h LYS 129 CO -0.01 0.11 -0.73 0.00 -0.57 0.00 0.00 179.45 178.25 1ddb h ALA 130 N 1.89 0.38 -0.72 3.86 0.00 0.67 -1.28 119.26 124.07 1ddb h ALA 130 Ca -0.00 -0.59 0.16 0.00 0.00 0.00 0.00 54.91 54.48 1ddb h ALA 130 Cb 0.21 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.84 1ddb h ALA 130 CO 0.01 0.69 -0.07 1.25 0.00 0.00 0.00 179.25 181.14 1ddb h LEU 131 N 0.53 -0.47 -0.01 0.00 6.46 -1.06 13.45 115.31 134.21 1ddb h LEU 131 Ca -0.04 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1ddb h LEU 131 Cb 1.35 0.38 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 1ddb h LEU 131 CO 0.15 -0.20 -0.06 0.44 -0.62 0.00 0.00 178.44 178.15 1ddb h ASP 132 N 0.06 0.08 0.45 1.25 3.32 -1.51 -2.40 116.42 117.66 1ddb h ASP 132 Ca 0.37 -0.68 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1ddb h ASP 132 Cb 0.62 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1ddb h ASP 132 CO -0.68 0.75 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.04 1ddb h GLU 133 N -0.59 -0.58 -1.03 3.56 4.39 0.10 -0.48 114.58 119.95 1ddb h GLU 133 Ca -0.00 0.04 0.32 0.00 0.34 0.00 0.00 59.36 60.05 1ddb h GLU 133 Cb 0.75 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.39 1ddb h GLU 133 CO 0.01 -0.30 0.60 -0.24 -1.16 0.00 0.00 179.01 177.92 1ddb h VAL 134 N -1.06 0.32 0.00 3.13 3.04 3.01 2.64 116.25 127.33 1ddb h VAL 134 Ca -0.06 -0.12 -0.13 0.00 -1.01 0.00 0.00 66.70 65.38 1ddb h VAL 134 Cb 0.55 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 1ddb h VAL 134 CO 0.10 0.06 -0.63 0.11 -1.01 0.00 0.00 177.57 176.20 1ddb h LYS 135 N 0.34 0.00 -0.15 4.17 1.57 -1.32 -2.30 116.57 118.88 1ddb h LYS 135 Ca 0.72 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.55 1ddb h LYS 135 Cb 1.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1ddb h LYS 135 CO -0.56 0.63 0.53 0.00 -0.57 0.00 0.00 179.45 179.48 1ddb h THR 136 N 0.00 0.07 0.00 -0.16 1.03 0.64 1.27 112.91 115.76 1ddb h THR 136 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 66.41 66.13 1ddb h THR 136 Cb 1.16 0.50 -0.04 0.00 -1.07 0.00 0.00 68.15 68.70 1ddb h THR 136 CO 0.08 0.00 -1.87 0.00 -0.01 0.00 0.00 175.52 173.73 1ddb n ALA 137 N -1.93 1.91 -2.97 0.00 0.00 -1.11 -4.77 120.51 111.64 1ddb n ALA 137 Ca 0.02 -0.66 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 1ddb n ALA 137 Cb 0.61 0.27 -0.04 0.00 0.00 0.00 0.00 19.45 20.30 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -3.77 3.93 0.00 0.00 -1.74 -0.76 -4.91 117.46 110.21 1ddb n PHE 138 Ca -0.32 -3.91 0.00 0.00 -0.56 0.00 0.00 57.45 52.67 1ddb n PHE 138 Cb 0.71 -0.55 0.00 0.00 1.52 0.00 0.00 39.48 41.16 1ddb n PHE 138 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1ddb n PRO 139 N -0.11 0.00 0.00 3.97 -0.04 0.43 -3.41 135.00 135.83 1ddb n PRO 139 Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ddb n PRO 139 Cb 0.38 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1ddb n PRO 139 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ddb n ARG 140 N -0.49 0.00 0.00 0.54 0.63 -1.26 0.31 116.66 116.39 1ddb n ARG 140 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ddb n ARG 140 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ddb n ASP 141 N -2.67 0.00 -0.45 6.15 8.00 -1.26 -3.52 116.55 122.80 1ddb n ASP 141 Ca 0.00 0.00 0.39 0.00 0.71 0.00 0.00 54.79 55.89 1ddb n ASP 141 Cb 0.00 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 41.76 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ddb h MET 142 N 0.00 0.03 0.27 -1.24 4.05 -1.93 8.15 114.93 124.25 1ddb h MET 142 Ca 0.00 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1ddb h MET 142 Cb 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1ddb h MET 142 CO 0.00 0.02 -0.13 1.49 0.23 0.00 0.00 176.91 178.52 1ddb h GLU 143 N 0.03 -0.35 0.06 0.39 4.57 -1.90 -2.63 114.58 114.74 1ddb h GLU 143 Ca 0.87 0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.93 1ddb h GLU 143 Cb 2.72 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 31.39 1ddb h GLU 143 CO -0.48 -0.23 -0.70 -0.91 -1.18 0.00 0.00 179.01 175.51 1ddb h ASN 144 N -0.41 0.19 -0.95 1.04 -0.26 -1.05 -3.32 115.58 110.83 1ddb h ASN 144 Ca -0.04 -0.87 0.11 0.00 -0.56 0.00 0.00 56.30 54.94 1ddb h ASN 144 Cb 0.28 -0.06 -0.13 0.00 -1.06 0.00 0.00 38.32 37.34 1ddb h ASN 144 CO 0.06 1.30 -0.51 -0.78 -1.06 0.00 0.00 177.43 176.44 1ddb h ASP 145 N -0.71 -1.87 -0.35 5.81 1.82 3.68 4.01 116.42 128.82 1ddb h ASP 145 Ca -0.16 0.31 0.10 0.00 -0.39 0.00 0.00 57.03 56.90 1ddb h ASP 145 Cb 1.36 0.87 -0.01 0.00 0.68 0.00 0.00 39.33 42.22 1ddb h ASP 145 CO 0.01 -0.26 0.46 0.11 -1.61 0.00 0.00 179.24 177.94 1ddb h LYS 146 N -0.03 0.00 0.55 0.28 1.79 -1.34 0.34 116.57 118.16 1ddb h LYS 146 Ca 0.22 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1ddb h LYS 146 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1ddb h LYS 146 CO -0.93 0.00 -0.28 0.00 -1.08 0.00 0.00 179.45 177.16 1ddb h ALA 147 N 1.42 -0.76 -0.33 3.86 0.00 0.76 0.84 119.26 125.05 1ddb h ALA 147 Ca 0.17 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1ddb h ALA 147 Cb 1.07 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1ddb h ALA 147 CO -0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 179.25 178.23 1ddb h MET 148 N -0.76 -0.01 -0.26 0.00 -0.00 -0.62 -1.56 114.93 111.73 1ddb h MET 148 Ca -0.07 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.68 1ddb h MET 148 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.14 1ddb h MET 148 CO 0.11 -0.00 -0.09 1.25 -0.00 0.00 0.00 176.91 178.17 1ddb h LEU 149 N -0.01 -0.32 -1.94 -0.10 5.85 -1.33 0.38 115.31 117.85 1ddb h LEU 149 Ca 0.16 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.11 1ddb h LEU 149 Cb 0.25 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1ddb h LEU 149 CO -0.35 -0.12 0.50 -0.29 -0.34 0.00 0.00 178.44 177.84 1ddb h ILE 150 N -0.04 0.38 0.34 4.05 2.10 0.10 -0.16 117.51 124.28 1ddb h ILE 150 Ca 0.13 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.05 1ddb h ILE 150 Cb 0.24 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1ddb h ILE 150 CO -0.29 0.00 -0.16 -0.03 -1.08 0.00 0.00 178.15 176.59 1ddb h MET 151 N 0.00 -0.44 -0.95 2.19 4.05 0.63 -1.67 114.93 118.74 1ddb h MET 151 Ca 0.23 0.03 0.28 0.00 -0.28 0.00 0.00 59.70 59.96 1ddb h MET 151 Cb 1.22 0.10 -0.17 0.00 -0.80 0.00 0.00 31.60 31.95 1ddb h MET 151 CO -0.00 -0.21 0.17 0.00 0.23 0.00 0.00 176.91 177.10 1ddb h THR 152 N -0.58 0.12 0.00 -0.77 1.03 -0.88 2.47 112.91 114.30 1ddb h THR 152 Ca -0.05 -0.03 -0.07 0.00 -0.01 0.00 0.00 66.41 66.26 1ddb h THR 152 Cb 0.43 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.54 1ddb h THR 152 CO 0.08 0.01 -0.31 0.24 -0.01 0.00 0.00 175.52 175.53 1ddb h MET 153 N 0.08 0.00 -0.00 0.00 2.07 -1.52 -3.14 114.93 112.42 1ddb h MET 153 Ca 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.25 1ddb h MET 153 Cb 1.33 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.05 1ddb h MET 153 CO -0.81 0.31 -0.01 1.25 1.07 0.00 0.00 176.91 178.72 1ddb h LEU 154 N 0.00 -0.03 0.10 1.22 7.12 0.52 1.00 115.31 125.24 1ddb h LEU 154 Ca -0.00 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.03 1ddb h LEU 154 Cb 0.88 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.97 1ddb h LEU 154 CO 0.04 -0.02 -0.53 -0.07 -0.13 0.00 0.00 178.44 177.73 1ddb h LEU 155 N -0.02 -1.61 -0.09 2.25 -0.00 -1.33 0.51 115.31 115.02 1ddb h LEU 155 Ca 0.01 0.17 0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1ddb h LEU 155 Cb 0.02 0.60 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1ddb h LEU 155 CO -0.01 -0.56 -0.06 0.00 -0.00 0.00 0.00 178.44 177.81 1ddb h ALA 156 N -0.51 0.02 -0.58 1.53 0.00 -1.57 5.51 119.26 123.66 1ddb h ALA 156 Ca -0.00 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1ddb h ALA 156 Cb 0.76 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1ddb h ALA 156 CO -0.30 -0.52 -0.36 -0.22 0.00 0.00 0.00 179.25 177.85 1ddb h LYS 157 N -0.06 -0.17 0.09 0.00 1.63 0.17 2.54 116.57 120.76 1ddb h LYS 157 Ca 0.06 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ddb h LYS 157 Cb 0.15 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1ddb h LYS 157 CO -0.13 -0.12 -0.04 0.87 -3.45 0.00 0.00 179.45 176.58 1ddb h LYS 158 N -0.18 -0.12 -0.81 1.90 1.57 0.52 -3.35 116.57 116.10 1ddb h LYS 158 Ca 0.22 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.13 1ddb h LYS 158 Cb 0.55 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.76 1ddb h LYS 158 CO -0.68 0.01 -0.41 0.28 -0.57 0.00 0.00 179.45 178.08 1ddb h VAL 159 N -1.02 0.06 -0.63 0.50 2.07 1.14 21.56 116.25 139.93 1ddb h VAL 159 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 1ddb h VAL 159 Cb 0.18 0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 29.89 1ddb h VAL 159 CO 0.02 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.55 1ddb n ALA 160 N -3.30 0.24 0.18 1.67 0.00 0.85 0.21 120.51 120.35 1ddb n ALA 160 Ca 0.06 0.68 0.02 0.00 0.00 0.00 0.00 53.44 54.20 1ddb n ALA 160 Cb 0.36 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1ddb n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 161 N -4.91 0.36 -0.09 0.00 7.64 0.19 -4.68 113.62 112.13 1ddb n SER 161 Ca 0.13 -0.57 -0.17 0.00 1.01 0.00 0.00 58.87 59.27 1ddb n SER 161 Cb 0.41 1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 64.51 1ddb n SER 161 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ddb h HIS 162 N 0.00 0.00 -2.94 1.43 6.17 5.47 -3.47 115.15 121.81 1ddb h HIS 162 Ca 0.00 0.00 -0.62 0.00 0.71 0.00 0.00 60.37 60.46 1ddb h HIS 162 Cb 0.10 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 29.98 1ddb h HIS 162 CO 0.00 1.15 -0.40 0.00 0.71 0.00 0.00 177.93 179.40 1ddb s ALA 163 N -2.38 3.87 0.22 5.26 0.00 0.55 -4.85 121.76 124.42 1ddb s ALA 163 Ca -0.24 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.18 1ddb s ALA 163 Cb 0.03 -2.03 0.15 0.00 0.00 0.00 0.00 23.12 21.27 1ddb s ALA 163 CO 0.54 0.68 1.49 -1.00 0.00 0.00 0.00 175.76 177.48 1ddb h PRO 164 N 3.67 0.03 -3.54 0.00 0.13 -1.91 -3.36 132.00 127.02 1ddb h PRO 164 Ca -0.49 -0.03 -0.79 0.00 -0.87 0.00 0.00 66.00 63.83 1ddb h PRO 164 Cb 1.19 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 1ddb h PRO 164 CO 0.69 0.77 0.80 0.45 -0.23 0.00 0.00 178.00 180.48 1ddb n SER 165 N -3.66 5.71 -1.95 1.44 2.88 -1.26 -4.78 113.62 112.01 1ddb n SER 165 Ca -0.01 -3.14 -0.19 0.00 -1.33 0.00 0.00 58.87 54.20 1ddb n SER 165 Cb 0.73 -1.38 0.14 0.00 -0.75 0.00 0.00 64.21 62.94 1ddb n SER 165 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n LEU 166 N 2.79 5.91 0.00 2.46 -0.00 -1.26 -4.35 117.00 122.55 1ddb n LEU 166 Ca 0.28 -3.14 0.00 0.00 -0.00 0.00 0.00 56.01 53.15 1ddb n LEU 166 Cb 0.38 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1ddb n LEU 166 CO 0.59 0.93 0.00 -0.11 -0.00 0.00 0.00 177.39 178.80 1ddb n LEU 167 N -0.75 0.00 0.33 1.47 -0.00 -1.26 -4.11 117.00 112.68 1ddb n LEU 167 Ca 0.46 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.62 1ddb n LEU 167 Cb 1.39 0.00 0.79 0.00 -0.00 0.00 0.00 43.42 45.60 1ddb n LEU 167 CO 0.47 0.00 1.12 0.08 -0.00 0.00 0.00 177.39 179.06 1ddb h ARG 168 N 0.00 0.00 0.41 1.96 -0.00 -1.89 0.01 114.38 114.86 1ddb h ARG 168 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 1ddb h ARG 168 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1ddb h ARG 168 CO 0.00 0.00 -0.20 -0.44 -0.00 0.00 0.00 179.97 179.33 1ddb h ASP 169 N 0.00 -0.46 0.36 0.08 5.19 -1.83 1.24 116.42 121.00 1ddb h ASP 169 Ca 0.00 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1ddb h ASP 169 Cb 0.70 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.30 1ddb h ASP 169 CO 0.00 -0.18 -0.46 0.58 -3.12 0.00 0.00 179.24 176.05 1ddb h VAL 170 N -0.74 0.09 -0.13 -1.35 2.07 -1.14 0.35 116.25 115.40 1ddb h VAL 170 Ca -0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1ddb h VAL 170 Cb 0.52 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1ddb h VAL 170 CO 0.09 0.00 -0.04 -0.26 0.02 0.00 0.00 177.57 177.38 1ddb h PHE 171 N -0.86 -0.09 -0.85 1.57 -1.00 -1.53 -1.80 116.94 112.37 1ddb h PHE 171 Ca -0.03 0.01 0.16 0.00 2.81 0.00 0.00 57.97 60.92 1ddb h PHE 171 Cb 0.79 0.06 -0.10 0.00 3.61 0.00 0.00 35.95 40.31 1ddb h PHE 171 CO -0.29 -0.07 0.43 1.25 -1.61 0.00 0.00 178.31 178.02 1ddb h HIS 172 N -0.02 0.75 -0.54 -0.55 2.76 0.19 0.61 115.15 118.34 1ddb h HIS 172 Ca 0.07 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.37 1ddb h HIS 172 Cb 0.12 -0.20 -0.08 0.00 1.55 0.00 0.00 27.41 28.80 1ddb h HIS 172 CO -0.18 0.15 0.09 1.15 -1.30 0.00 0.00 177.93 177.84 1ddb h THR 173 N 0.59 0.66 0.52 6.26 2.02 0.57 1.47 112.91 125.00 1ddb h THR 173 Ca 0.48 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.55 1ddb h THR 173 Cb 0.71 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1ddb h THR 173 CO -0.39 0.04 -0.25 0.71 0.37 0.00 0.00 175.52 176.01 1ddb h THR 174 N 0.22 0.00 0.00 3.16 1.35 -0.63 -2.01 112.91 114.99 1ddb h THR 174 Ca 0.28 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1ddb h THR 174 Cb 0.40 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1ddb h THR 174 CO -0.38 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.41 1ddb n VAL 175 N -3.95 0.00 0.04 6.82 0.31 -0.67 -3.02 118.33 117.86 1ddb n VAL 175 Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.20 1ddb n VAL 175 Cb 0.27 -0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1ddb n VAL 175 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddb h ASN 176 N 0.00 -0.17 0.31 4.52 7.08 0.28 -2.02 115.58 125.58 1ddb h ASN 176 Ca 0.00 -0.09 -0.02 0.00 -3.08 0.00 0.00 56.30 53.12 1ddb h ASN 176 Cb 0.00 0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 1ddb h ASN 176 CO 0.00 0.34 -0.15 -0.26 -2.08 0.00 0.00 177.43 175.28 1ddb h PHE 177 N -1.04 -0.38 -0.85 4.14 -1.00 -1.53 1.13 116.94 117.41 1ddb h PHE 177 Ca -0.02 -0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.87 1ddb h PHE 177 Cb 0.25 0.13 -0.08 0.00 3.61 0.00 0.00 35.95 39.86 1ddb h PHE 177 CO 0.02 -0.15 0.47 -0.84 -1.61 0.00 0.00 178.31 176.20 1ddb h ILE 178 N -0.54 0.83 -0.25 -0.55 -2.65 -1.73 2.82 117.51 115.44 1ddb h ILE 178 Ca -0.04 -0.25 -0.14 0.00 1.03 0.00 0.00 64.86 65.46 1ddb h ILE 178 Cb 0.40 0.03 -0.00 0.00 -2.05 0.00 0.00 36.82 35.20 1ddb h ILE 178 CO 0.07 0.13 -0.37 -1.13 0.03 0.00 0.00 178.15 176.88 1ddb h ASN 179 N 0.74 0.76 0.90 2.16 -0.73 -1.10 0.66 115.58 118.96 1ddb h ASN 179 Ca 0.43 -0.51 -0.05 0.00 1.87 0.00 0.00 56.30 58.04 1ddb h ASN 179 Cb 0.50 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1ddb h ASN 179 CO -0.30 1.13 -0.22 1.56 -0.37 0.00 0.00 177.43 179.23 1ddb h GLN 180 N 0.41 0.00 0.00 6.67 1.08 0.31 -3.45 115.11 120.13 1ddb h GLN 180 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1ddb h GLN 180 Cb 0.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1ddb h GLN 180 CO 0.09 0.22 0.00 -1.71 -0.95 0.00 0.00 178.83 176.48 1ddb n ASN 181 N -3.40 0.17 -4.40 1.46 5.15 0.93 -5.02 115.26 110.15 1ddb n ASN 181 Ca 0.00 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.53 1ddb n ASN 181 Cb 0.42 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1ddb n ASN 181 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ddb s LEU 182 N 0.00 5.73 0.00 1.20 2.01 -1.24 -4.85 118.68 121.52 1ddb s LEU 182 Ca 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 54.13 50.87 1ddb s LEU 182 Cb 0.00 -2.30 0.00 0.00 0.01 0.00 0.00 46.19 43.90 1ddb s LEU 182 CO 0.00 -0.52 0.00 0.33 1.01 0.00 0.00 176.35 177.17 1ddb n PHE 183 N 4.17 0.00 -3.94 0.29 7.35 0.20 -3.82 117.46 121.71 1ddb n PHE 183 Ca 0.30 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.66 1ddb n PHE 183 Cb 0.41 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.19 1ddb n PHE 183 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ddb s SER 184 N -0.69 6.22 0.16 -2.13 0.15 -1.26 -4.54 113.70 111.60 1ddb s SER 184 Ca 0.00 0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.82 1ddb s SER 184 Cb 0.00 -1.90 -0.07 0.00 -1.71 0.00 0.00 66.02 62.34 1ddb s SER 184 CO 0.00 0.22 0.08 0.00 1.20 0.00 0.00 173.24 174.74 1ddb n TYR 185 N 0.69 -0.77 -0.70 3.44 9.36 -1.25 -3.79 117.16 124.13 1ddb n TYR 185 Ca -0.09 0.30 0.53 0.00 3.32 0.00 0.00 57.90 61.96 1ddb n TYR 185 Cb 0.52 -0.79 0.82 0.00 -0.63 0.00 0.00 39.34 39.26 1ddb n TYR 185 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1ddb h VAL 186 N 0.20 0.00 0.04 2.97 3.04 -1.96 1.00 116.25 121.54 1ddb h VAL 186 Ca -0.15 -0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.56 1ddb h VAL 186 Cb 0.63 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.87 1ddb h VAL 186 CO 0.21 0.00 -0.24 -0.09 -1.01 0.00 0.00 177.57 176.44 1ddb h ARG 187 N 0.00 -0.39 -0.50 4.17 1.12 -1.96 0.38 114.38 117.20 1ddb h ARG 187 Ca 0.94 0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.81 1ddb h ARG 187 Cb 3.72 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 33.75 1ddb h ARG 187 CO -0.05 -0.26 0.21 -0.91 -3.11 0.00 0.00 179.97 175.85 1ddb h ASN 188 N -0.40 0.68 -0.58 -3.80 4.21 0.84 -1.85 115.58 114.67 1ddb h ASN 188 Ca 0.05 -0.16 0.10 0.00 1.21 0.00 0.00 56.30 57.50 1ddb h ASN 188 Cb 0.46 -0.18 -0.08 0.00 -1.12 0.00 0.00 38.32 37.41 1ddb h ASN 188 CO -0.19 0.65 0.17 0.25 -1.29 0.00 0.00 177.43 177.01 1ddb h LEU 189 N 0.66 0.10 -0.58 1.61 5.85 -0.85 0.34 115.31 122.45 1ddb h LEU 189 Ca 0.17 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1ddb h LEU 189 Cb 0.17 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1ddb h LEU 189 CO -0.02 0.07 0.35 0.58 -0.34 0.00 0.00 178.44 179.09 1ddb h VAL 190 N 0.32 1.06 -0.12 1.05 2.07 0.18 0.57 116.25 121.38 1ddb h VAL 190 Ca 0.30 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ddb h VAL 190 Cb 0.41 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1ddb h VAL 190 CO -0.34 0.13 0.08 0.03 0.02 0.00 0.00 177.57 177.48 1ddb h ARG 191 N 0.70 0.16 -0.28 1.57 2.47 -0.14 -2.67 114.38 116.18 1ddb h ARG 191 Ca 0.23 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.99 1ddb h ARG 191 Cb 0.02 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 1ddb h ARG 191 CO -0.10 0.10 0.00 -0.91 0.56 0.00 0.00 179.97 179.63 1ddb h ASN 192 N 0.16 -0.10 -1.25 7.04 4.21 0.09 -3.43 115.58 122.30 1ddb h ASN 192 Ca 0.04 0.06 -0.65 0.00 1.21 0.00 0.00 56.30 56.96 1ddb h ASN 192 Cb -0.02 0.11 0.13 0.00 -1.12 0.00 0.00 38.32 37.42 1ddb h ASN 192 CO -0.01 -0.02 -0.67 1.21 -1.29 0.00 0.00 177.43 176.65 1ddb n GLU 193 N -5.15 0.01 -5.03 0.81 4.07 0.14 -4.95 120.64 110.54 1ddb n GLU 193 Ca -0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.77 1ddb n GLU 193 Cb 0.14 -1.01 -0.16 0.00 -0.06 0.00 0.00 31.44 30.36 1ddb n GLU 193 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1ddb s MET 194 N -1.01 3.17 0.00 5.31 -2.45 -1.26 -4.99 119.30 118.07 1ddb s MET 194 Ca 0.62 -0.80 0.00 0.00 -1.25 0.00 0.00 55.69 54.27 1ddb s MET 194 Cb -0.82 -2.44 0.00 0.00 1.25 0.00 0.00 34.83 32.82 1ddb s MET 194 CO 0.58 0.21 0.00 -3.47 1.05 0.00 0.00 175.02 173.39