#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 3.17 8.00 -1.26 -5.19 116.55 121.27 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 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddb n SER 3 N 1.59 0.00 0.00 -2.24 2.88 -1.26 -5.19 113.62 109.40 1ddb n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ddb n SER 3 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ddb n GLU 4 N -0.11 0.00 -3.62 -1.46 2.13 -1.26 -5.19 120.64 111.13 1ddb n GLU 4 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1ddb n GLU 4 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1ddb n GLU 4 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ddb s VAL 5 N -2.00 0.00 0.13 6.31 0.11 -1.26 -5.19 120.40 118.50 1ddb s VAL 5 Ca 0.00 -0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.62 1ddb s VAL 5 Cb 0.00 -1.54 0.08 0.00 -1.53 0.00 0.00 36.38 33.39 1ddb s VAL 5 CO 0.00 0.00 1.08 -0.55 -3.33 0.00 0.00 175.10 172.30 1ddb s SER 6 N -2.64 -0.05 0.04 3.54 0.15 -1.26 -5.19 113.70 108.29 1ddb s SER 6 Ca 0.11 -0.48 -0.27 0.00 0.70 0.00 0.00 55.95 56.01 1ddb s SER 6 Cb 0.01 0.41 0.09 0.00 -1.71 0.00 0.00 66.02 64.83 1ddb s SER 6 CO -0.04 -0.80 1.21 0.21 1.20 0.00 0.00 173.24 175.02 1ddb s ASN 7 N -3.27 0.01 0.13 5.45 2.47 -1.26 -5.19 114.94 113.27 1ddb s ASN 7 Ca 0.19 -0.34 -0.24 0.00 0.42 0.00 0.00 52.86 52.89 1ddb s ASN 7 Cb -0.01 0.25 0.08 0.00 -1.45 0.00 0.00 41.25 40.12 1ddb s ASN 7 CO 0.03 -0.50 1.10 -0.83 -3.72 0.00 0.00 177.10 173.17 1ddb s GLY 8 N -3.68 0.03 0.15 1.21 0.00 -1.26 -5.19 107.32 98.58 1ddb s GLY 8 Ca 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 1ddb s GLY 8 CO 0.01 2.96 0.22 1.44 0.00 0.00 0.00 173.10 177.73 1ddb n SER 9 N -1.14 -0.62 -0.75 1.64 7.64 -1.26 -5.19 113.62 113.94 1ddb n SER 9 Ca -0.02 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1ddb n SER 9 Cb 0.59 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.92 1ddb n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ddb n GLY 10 N -0.24 4.79 1.01 0.23 0.00 -1.26 -4.90 105.19 104.82 1ddb n GLY 10 Ca -0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.76 0.00 0.99 7.99 -1.26 -4.96 117.00 118.00 1ddb n LEU 11 Ca 0.00 1.93 0.00 0.00 -0.01 0.00 0.00 56.01 57.93 1ddb n LEU 11 Cb 0.00 -1.53 0.00 0.00 -0.11 0.00 0.00 43.42 41.78 1ddb n LEU 11 CO 0.00 0.24 0.00 0.61 -1.51 0.00 0.00 177.39 176.73 1ddb n GLY 12 N -1.00 -0.67 3.95 -0.72 0.00 -1.26 -4.39 105.19 101.10 1ddb n GLY 12 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s ALA 13 N -1.00 4.55 0.00 4.61 0.00 -1.26 -4.05 121.76 124.61 1ddb s ALA 13 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1ddb s ALA 13 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1ddb s ALA 13 CO 0.00 -0.60 0.40 1.63 0.00 0.00 0.00 175.76 177.19 1ddb n LYS 14 N -1.94 0.04 -0.18 0.00 4.76 -1.26 -4.76 118.16 114.82 1ddb n LYS 14 Ca 0.04 -0.48 -0.07 0.00 -2.87 0.00 0.00 58.31 54.93 1ddb n LYS 14 Cb 0.63 -0.77 0.02 0.00 -1.84 0.00 0.00 35.03 33.07 1ddb n LYS 14 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1ddb h HIS 15 N 0.00 0.71 0.00 2.13 2.07 -1.94 -2.88 115.15 115.24 1ddb h HIS 15 Ca 0.00 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.44 1ddb h HIS 15 Cb 0.37 -0.23 -0.02 0.00 2.57 0.00 0.00 27.41 30.10 1ddb h HIS 15 CO 0.00 0.52 0.09 0.44 -3.07 0.00 0.00 177.93 175.92 1ddb n ILE 16 N -4.64 1.16 -0.12 6.12 -5.35 -1.26 -4.43 119.36 110.84 1ddb n ILE 16 Ca 0.02 -0.53 -0.06 0.00 -0.27 0.00 0.00 62.75 61.92 1ddb n ILE 16 Cb 0.08 -1.58 0.01 0.00 -1.74 0.00 0.00 39.64 36.41 1ddb n ILE 16 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ddb h THR 17 N 2.32 0.38 -0.99 7.28 2.02 -1.90 0.28 112.91 122.30 1ddb h THR 17 Ca 0.06 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.50 1ddb h THR 17 Cb 0.59 0.38 -0.13 0.00 -1.74 0.00 0.00 68.15 67.25 1ddb h THR 17 CO 0.29 0.00 0.57 0.44 0.37 0.00 0.00 175.52 177.19 1ddb h ASP 18 N -0.14 0.61 0.22 4.18 5.19 -1.90 2.20 116.42 126.78 1ddb h ASP 18 Ca 0.20 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1ddb h ASP 18 Cb 0.45 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1ddb h ASP 18 CO -0.50 0.04 -0.16 -0.07 -3.12 0.00 0.00 179.24 175.43 1ddb h LEU 19 N 0.51 0.00 -0.43 1.55 -0.00 -0.83 -1.86 115.31 114.25 1ddb h LEU 19 Ca 0.66 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.49 1ddb h LEU 19 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.96 1ddb h LEU 19 CO -0.51 0.16 0.08 0.25 -0.00 0.00 0.00 178.44 178.42 1ddb h LEU 20 N 0.00 0.67 0.67 1.67 7.12 0.43 1.89 115.31 127.77 1ddb h LEU 20 Ca -0.00 -0.25 -0.03 0.00 0.13 0.00 0.00 57.88 57.72 1ddb h LEU 20 Cb 0.31 -0.18 0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1ddb h LEU 20 CO 0.02 0.75 -0.32 1.62 -0.13 0.00 0.00 178.44 180.38 1ddb h VAL 21 N 0.56 0.00 -0.21 1.05 3.04 -0.79 2.31 116.25 122.21 1ddb h VAL 21 Ca 0.13 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 65.78 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 -0.02 0.15 -1.01 0.00 0.00 177.57 176.70 1ddb h PHE 22 N -0.91 0.32 -0.05 3.17 3.04 -1.46 -2.29 116.94 118.76 1ddb h PHE 22 Ca -0.09 -0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.63 1ddb h PHE 22 Cb 0.69 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1ddb h PHE 22 CO 0.08 0.35 -0.83 0.78 -2.02 0.00 0.00 178.31 176.66 1ddb h GLY 23 N 0.64 0.49 0.43 2.40 0.00 0.32 -2.93 103.07 104.41 1ddb h GLY 23 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1ddb h GLY 23 CO 0.01 0.68 -0.46 -2.75 0.00 0.00 0.00 176.54 174.02 1ddb h PHE 24 N 0.28 -1.28 -0.65 5.60 3.04 0.45 -0.40 116.94 123.97 1ddb h PHE 24 Ca -0.06 0.02 0.07 0.00 3.98 0.00 0.00 57.97 61.98 1ddb h PHE 24 Cb 1.44 0.52 -0.06 0.00 2.56 0.00 0.00 35.95 40.41 1ddb h PHE 24 CO 0.06 -0.59 0.34 -0.07 -2.02 0.00 0.00 178.31 176.02 1ddb h LEU 25 N -0.84 0.47 -1.73 0.59 4.07 -1.62 0.99 115.31 117.25 1ddb h LEU 25 Ca -0.03 0.04 0.19 0.00 0.08 0.00 0.00 57.88 58.16 1ddb h LEU 25 Cb 0.78 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.43 1ddb h LEU 25 CO -0.14 0.29 0.53 0.06 -1.08 0.00 0.00 178.44 178.11 1ddb h GLN 26 N 0.61 0.24 0.00 1.13 -0.00 -1.20 -3.23 115.11 112.66 1ddb h GLN 26 Ca 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.94 1ddb h GLN 26 Cb 0.25 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 1ddb h GLN 26 CO -0.22 0.16 0.00 0.45 -0.00 0.00 0.00 178.83 179.22 1ddb n SER 27 N -4.43 0.00 -0.52 0.06 2.88 0.33 -4.88 113.62 107.06 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 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 0.02 0.00 -3.46 7.64 -1.16 -4.90 113.62 111.76 1ddb n SER 28 Ca 0.00 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1ddb n SER 28 Cb 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.01 -1.96 0.00 0.23 0.00 -1.11 -4.67 105.19 97.69 1ddb n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.32 0.11 0.17 0.00 -1.32 -1.26 -5.01 115.64 108.65 1ddb s THR 31 Ca 0.00 -0.89 -0.26 0.00 -1.21 0.00 0.00 61.69 59.33 1ddb s THR 31 Cb 0.00 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.26 1ddb s THR 31 CO 0.00 -0.49 1.56 -0.09 -2.21 0.00 0.00 174.62 173.39 1ddb h ARG 32 N 3.75 -0.16 -0.32 7.08 1.12 -1.93 1.62 114.38 125.55 1ddb h ARG 32 Ca -0.32 0.01 0.09 0.00 -1.11 0.00 0.00 59.98 58.65 1ddb h ARG 32 Cb 1.19 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 1ddb h ARG 32 CO 0.47 -0.11 0.32 0.37 -3.11 0.00 0.00 179.97 177.91 1ddb h GLN 33 N -0.17 0.00 0.39 0.20 4.15 -1.97 -1.47 115.11 116.24 1ddb h GLN 33 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 1ddb h GLN 33 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1ddb h GLN 33 CO -0.77 0.00 -0.19 1.49 -1.93 0.00 0.00 178.83 177.44 1ddb h GLU 34 N 0.00 -0.50 -1.14 1.69 4.57 0.19 -1.54 114.58 117.85 1ddb h GLU 34 Ca 0.15 0.03 0.32 0.00 -1.18 0.00 0.00 59.36 58.68 1ddb h GLU 34 Cb 0.79 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.41 1ddb h GLU 34 CO -0.00 -0.19 0.76 1.25 -1.18 0.00 0.00 179.01 179.64 1ddb h LEU 35 N -0.86 0.30 -0.18 1.64 6.46 -0.21 0.75 115.31 123.20 1ddb h LEU 35 Ca -0.05 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 1ddb h LEU 35 Cb 0.54 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1ddb h LEU 35 CO 0.09 0.01 -0.22 -0.08 -0.62 0.00 0.00 178.44 177.62 1ddb h GLU 36 N 0.24 0.47 0.81 1.25 4.81 -1.27 2.04 114.58 122.93 1ddb h GLU 36 Ca 0.64 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1ddb h GLU 36 Cb 1.92 0.02 0.01 0.00 0.63 0.00 0.00 28.75 31.32 1ddb h GLU 36 CO -0.25 0.85 -0.39 0.28 -0.73 0.00 0.00 179.01 178.77 1ddb h VAL 37 N 0.13 0.02 -0.55 0.32 2.07 0.13 -1.13 116.25 117.23 1ddb h VAL 37 Ca 0.02 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1ddb h VAL 37 Cb 0.78 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1ddb h VAL 37 CO 0.05 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.62 1ddb h LEU 38 N -1.28 0.92 -0.81 2.57 3.38 -0.27 -2.79 115.31 117.02 1ddb h LEU 38 Ca -0.11 -0.29 0.18 0.00 0.09 0.00 0.00 57.88 57.75 1ddb h LEU 38 Cb 0.84 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 1ddb h LEU 38 CO 0.18 0.97 0.31 1.23 0.09 0.00 0.00 178.44 181.23 1ddb h GLY 39 N 0.83 1.27 0.00 0.83 0.00 0.33 -3.43 103.07 102.90 1ddb h GLY 39 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ddb h GLY 39 CO 0.02 -0.18 0.00 -0.96 0.00 0.00 0.00 176.54 175.42 1ddb n ARG 40 N -5.05 0.00 -3.50 4.80 1.85 -0.43 -4.94 116.66 109.39 1ddb n ARG 40 Ca 0.17 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.76 1ddb n ARG 40 Cb 0.52 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.79 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1ddb s GLU 41 N 0.00 0.27 -0.44 2.89 2.12 -1.10 -4.57 118.70 117.88 1ddb s GLU 41 Ca 0.00 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 54.65 1ddb s GLU 41 Cb 0.00 -1.05 0.06 0.00 0.26 0.00 0.00 34.13 33.39 1ddb s GLU 41 CO 0.00 -1.05 0.33 -0.51 -0.54 0.00 0.00 175.26 173.49 1ddb s LEU 42 N 2.02 5.31 0.17 2.70 2.01 -1.26 -5.06 118.68 124.58 1ddb s LEU 42 Ca 0.10 -1.22 -0.30 0.00 0.01 0.00 0.00 54.13 52.73 1ddb s LEU 42 Cb -0.16 -2.12 -0.08 0.00 0.01 0.00 0.00 46.19 43.84 1ddb s LEU 42 CO -0.31 -0.55 1.12 -2.16 1.01 0.00 0.00 176.35 175.46 1ddb s PRO 43 N 1.60 4.57 -0.88 1.29 0.04 -1.26 -4.85 135.00 135.52 1ddb s PRO 43 Ca 0.04 1.75 -0.33 0.00 0.04 0.00 0.00 61.00 62.49 1ddb s PRO 43 Cb -0.22 -3.27 -0.21 0.00 0.04 0.00 0.00 34.50 30.84 1ddb s PRO 43 CO 0.07 0.03 2.53 1.55 0.04 0.00 0.00 177.00 181.22 1ddb n VAL 44 N 2.44 0.00 0.00 -0.36 3.14 -1.26 -4.68 118.33 117.62 1ddb n VAL 44 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1ddb n VAL 44 Cb 0.46 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 1ddb n VAL 44 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1ddb n GLN 45 N 8.13 0.00 0.00 1.45 7.27 -1.26 -5.10 117.38 127.87 1ddb n GLN 45 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1ddb n GLN 45 Cb 0.01 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.66 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddb n ALA 46 N -0.09 0.46 -1.23 1.69 0.00 -1.26 -5.11 120.51 114.96 1ddb n ALA 46 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 1ddb n ALA 46 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.48 0.80 0.00 0.00 9.36 -1.26 -4.84 117.16 118.75 1ddb n TYR 47 Ca 0.00 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.07 1ddb n TYR 47 Cb 0.00 -1.66 0.00 0.00 -0.63 0.00 0.00 39.34 37.05 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 1.85 0.00 -1.04 2.98 5.03 -1.26 -5.16 117.44 119.84 1ddb n TRP 48 Ca 0.19 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.72 1ddb n TRP 48 Cb 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.30 1ddb n TRP 48 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 1ddb n GLU 49 N -1.09 -2.91 0.00 -0.99 -0.58 -1.26 -5.10 120.64 108.70 1ddb n GLU 49 Ca 0.00 2.12 0.00 0.00 -0.42 0.00 0.00 57.16 58.86 1ddb n GLU 49 Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 28.53 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddb n ALA 50 N -0.14 0.00 -2.73 0.62 0.00 -1.26 -5.14 120.51 111.86 1ddb n ALA 50 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ddb n ALA 50 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ddb n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddb s ASP 51 N 0.00 -0.23 0.29 0.00 2.15 -1.26 -5.14 116.67 112.48 1ddb s ASP 51 Ca 0.00 -0.12 -0.15 0.00 0.43 0.00 0.00 52.55 52.71 1ddb s ASP 51 Cb 0.00 0.29 -0.11 0.00 -0.30 0.00 0.00 42.92 42.80 1ddb s ASP 51 CO 0.00 -0.02 0.05 0.00 -0.17 0.00 0.00 175.17 175.02 1ddb n LEU 52 N 3.57 -2.10 -3.41 -1.34 -0.00 -1.26 -4.97 117.00 107.49 1ddb n LEU 52 Ca 0.05 0.57 0.02 0.00 -0.00 0.00 0.00 56.01 56.64 1ddb n LEU 52 Cb 0.64 -0.62 -0.04 0.00 -0.00 0.00 0.00 43.42 43.40 1ddb n LEU 52 CO -0.13 -3.02 0.51 -1.83 -0.00 0.00 0.00 177.39 172.92 1ddb s GLU 53 N -0.71 0.35 -0.21 1.47 4.04 -1.26 -5.17 118.70 117.22 1ddb s GLU 53 Ca 0.42 0.85 -0.33 0.00 0.04 0.00 0.00 54.97 55.95 1ddb s GLU 53 Cb -0.44 0.51 0.15 0.00 0.02 0.00 0.00 34.13 34.36 1ddb s GLU 53 CO 0.45 -0.16 1.21 0.34 -1.84 0.00 0.00 175.26 175.26 1ddb s ASP 54 N 2.60 -0.14 0.00 0.83 2.15 -1.26 -5.13 116.67 115.72 1ddb s ASP 54 Ca -0.02 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1ddb s ASP 54 Cb -0.08 0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1ddb s ASP 54 CO -0.17 -0.20 0.00 -0.62 -0.17 0.00 0.00 175.17 174.00 1ddb n GLU 55 N 0.14 0.00 -1.53 4.34 -0.58 -1.26 -5.14 120.64 116.61 1ddb n GLU 55 Ca -0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.77 1ddb n GLU 55 Cb 0.58 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.43 1ddb n GLU 55 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ddb n LEU 56 N 0.00 -1.54 0.00 -4.62 7.94 -1.26 -5.05 117.00 112.47 1ddb n LEU 56 Ca 0.00 2.75 0.00 0.00 -1.11 0.00 0.00 56.01 57.65 1ddb n LEU 56 Cb 0.00 -3.09 0.00 0.00 0.53 0.00 0.00 43.42 40.86 1ddb n LEU 56 CO 0.00 -1.08 0.00 0.00 -1.11 0.00 0.00 177.39 175.20 1ddb n GLN 57 N -2.96 0.00 -2.60 1.96 6.02 -1.26 -5.17 117.38 113.37 1ddb n GLN 57 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 1ddb n GLN 57 Cb 0.52 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.78 1ddb n GLN 57 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1ddb s THR 58 N 0.00 4.88 0.00 5.09 -4.23 -1.26 -4.88 115.64 115.24 1ddb s THR 58 Ca 0.00 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1ddb s THR 58 Cb 0.00 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1ddb s THR 58 CO 0.00 -0.83 0.00 -0.67 -0.54 0.00 0.00 174.62 172.58 1ddb n ASP 59 N -2.16 -0.04 0.00 3.99 -0.08 -1.26 -5.11 116.55 111.90 1ddb n ASP 59 Ca 0.01 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 1ddb n ASP 59 Cb 0.55 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.47 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ddb n GLY 60 N -1.00 1.44 1.36 0.27 0.00 -1.26 -5.09 105.19 100.91 1ddb n GLY 60 Ca 0.00 -0.78 0.17 0.00 0.00 0.00 0.00 46.02 45.42 1ddb n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 61 N 0.57 -8.15 -0.76 1.61 7.64 -1.26 -5.04 113.62 108.24 1ddb n SER 61 Ca 0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1ddb n SER 61 Cb 0.00 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 58.81 1ddb n SER 61 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ddb n GLN 62 N -4.20 -2.14 0.05 1.43 0.00 -1.26 -5.05 117.38 106.21 1ddb n GLN 62 Ca -0.04 1.60 0.00 0.00 -0.00 0.00 0.00 57.00 58.57 1ddb n GLN 62 Cb 0.63 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ddb n ALA 63 N -1.16 3.00 0.01 1.69 0.00 -1.26 -5.10 120.51 117.70 1ddb n ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ddb n ALA 63 Cb 0.04 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1ddb n ALA 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ddb n SER 64 N -3.10 -0.26 -3.79 0.00 3.41 -1.26 -5.13 113.62 103.50 1ddb n SER 64 Ca 0.00 0.52 -0.15 0.00 -0.26 0.00 0.00 58.87 58.98 1ddb n SER 64 Cb 0.00 0.70 -0.16 0.00 -0.26 0.00 0.00 64.21 64.49 1ddb n SER 64 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ddb s ARG 65 N -1.99 0.03 0.00 4.33 6.06 -1.26 -5.04 118.95 121.09 1ddb s ARG 65 Ca 0.00 0.15 0.00 0.00 -2.50 0.00 0.00 55.73 53.38 1ddb s ARG 65 Cb 0.00 -0.28 0.00 0.00 0.06 0.00 0.00 34.95 34.73 1ddb s ARG 65 CO 0.00 -0.15 0.00 0.45 -2.50 0.00 0.00 175.30 173.10 1ddb n SER 66 N 4.07 0.00 -3.50 -2.12 2.88 -1.26 -5.13 113.62 108.56 1ddb n SER 66 Ca -0.26 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 56.99 1ddb n SER 66 Cb 0.51 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.84 1ddb n SER 66 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1ddb s PHE 67 N 0.00 0.58 -0.29 0.66 0.08 -1.26 -5.07 117.98 112.68 1ddb s PHE 67 Ca 0.00 -1.34 -0.01 0.00 0.12 0.00 0.00 56.93 55.71 1ddb s PHE 67 Cb 0.00 -0.93 0.18 0.00 -0.57 0.00 0.00 43.02 41.70 1ddb s PHE 67 CO 0.00 -0.83 0.56 1.21 -0.10 0.00 0.00 175.22 176.06 1ddb s ASN 68 N 1.48 -1.11 -0.33 1.36 3.84 -1.26 -5.02 114.94 113.90 1ddb s ASN 68 Ca 0.14 0.68 -0.06 0.00 0.21 0.00 0.00 52.86 53.84 1ddb s ASN 68 Cb -0.20 1.96 0.01 0.00 -0.55 0.00 0.00 41.25 42.47 1ddb s ASN 68 CO -0.14 -0.27 0.22 0.00 -2.79 0.00 0.00 177.10 174.11 1ddb n GLN 69 N 5.42 -2.82 0.00 0.43 6.02 -1.26 -4.98 117.38 120.18 1ddb n GLN 69 Ca -0.01 2.37 0.00 0.00 -0.01 0.00 0.00 57.00 59.36 1ddb n GLN 69 Cb 0.51 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.61 1ddb n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddb n GLY 70 N 0.27 -2.21 0.58 1.08 0.00 -1.26 -4.32 105.19 99.33 1ddb n GLY 70 Ca 0.04 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1ddb n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddb n ARG 71 N -0.18 1.59 -2.57 1.61 1.74 -1.26 -4.80 116.66 112.79 1ddb n ARG 71 Ca 0.00 -1.24 -0.42 0.00 -0.77 0.00 0.00 57.85 55.41 1ddb n ARG 71 Cb 0.00 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 1ddb n ARG 71 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ddb s ILE 72 N -1.80 4.04 0.34 0.55 1.01 -1.26 -4.97 121.20 119.10 1ddb s ILE 72 Ca 0.18 -1.40 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 1ddb s ILE 72 Cb 0.15 -5.13 -0.08 0.00 0.01 0.00 0.00 42.46 37.41 1ddb s ILE 72 CO 0.34 -1.99 0.72 -1.83 0.00 0.00 0.00 174.94 172.18 1ddb s GLU 73 N 4.55 3.88 -1.10 2.79 -1.05 -1.26 -4.81 118.70 121.70 1ddb s GLU 73 Ca 0.50 0.52 -0.18 0.00 -0.15 0.00 0.00 54.97 55.67 1ddb s GLU 73 Cb 0.02 -2.45 -0.06 0.00 -0.44 0.00 0.00 34.13 31.19 1ddb s GLU 73 CO -0.00 0.11 2.09 -0.35 0.95 0.00 0.00 175.26 178.07 1ddb n PRO 74 N -0.68 2.18 -3.16 -4.83 -0.04 -1.26 -4.75 135.00 122.46 1ddb n PRO 74 Ca 0.03 -2.18 -0.37 0.00 -0.04 0.00 0.00 63.50 60.94 1ddb n PRO 74 Cb 0.53 -3.07 -0.02 0.00 -0.04 0.00 0.00 33.50 30.90 1ddb n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ddb n ASP 75 N 6.66 5.42 -4.65 3.54 2.03 -1.26 -5.05 116.55 123.24 1ddb n ASP 75 Ca 0.51 -3.43 -0.40 0.00 0.52 0.00 0.00 54.79 51.99 1ddb n ASP 75 Cb 0.39 -1.04 0.03 0.00 -0.72 0.00 0.00 41.12 39.77 1ddb n ASP 75 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ddb n SER 76 N 1.12 1.58 -3.24 1.67 2.88 -1.26 -4.82 113.62 111.56 1ddb n SER 76 Ca 0.28 0.97 -0.37 0.00 -1.33 0.00 0.00 58.87 58.41 1ddb n SER 76 Cb 0.36 -1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.36 1ddb n SER 76 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ddb n GLU 77 N -0.40 3.70 0.00 -1.46 -0.58 -1.26 -4.95 120.64 115.69 1ddb n GLU 77 Ca 0.10 -2.29 0.00 0.00 -0.42 0.00 0.00 57.16 54.55 1ddb n GLU 77 Cb 0.43 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.58 1ddb n GLU 77 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ddb n SER 78 N 3.22 -0.06 0.00 1.62 2.88 -1.26 -4.51 113.62 115.51 1ddb n SER 78 Ca 0.74 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1ddb n SER 78 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1ddb n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n GLN 79 N 0.00 0.00 0.29 -1.46 6.02 -1.26 -4.78 117.38 116.19 1ddb n GLN 79 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.17 1ddb n GLN 79 Cb 0.00 -0.37 0.85 0.00 1.02 0.00 0.00 30.24 31.74 1ddb n GLN 79 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1ddb h GLU 80 N 0.00 0.00 -6.87 -1.09 9.09 -2.02 -3.46 114.58 110.23 1ddb h GLU 80 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 1ddb h GLU 80 Cb 0.32 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 27.28 1ddb h GLU 80 CO 0.00 0.04 -0.94 -1.91 0.05 0.00 0.00 179.01 176.25 1ddb n GLU 81 N -3.23 -1.75 0.00 1.06 2.13 -1.26 -4.81 120.64 112.78 1ddb n GLU 81 Ca -0.01 0.20 0.11 0.00 0.66 0.00 0.00 57.16 58.12 1ddb n GLU 81 Cb 0.22 -3.89 -0.09 0.00 0.27 0.00 0.00 31.44 27.96 1ddb n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ddb n ILE 82 N -4.53 0.03 -0.34 6.31 2.08 -1.26 -4.23 119.36 117.41 1ddb n ILE 82 Ca -0.32 -0.16 0.08 0.00 0.56 0.00 0.00 62.75 62.92 1ddb n ILE 82 Cb 0.69 0.59 0.25 0.00 -0.75 0.00 0.00 39.64 40.42 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1ddb h ILE 83 N 0.00 0.83 -0.60 1.39 5.03 -1.88 0.12 117.51 122.41 1ddb h ILE 83 Ca 0.00 -0.29 -0.05 0.00 -0.12 0.00 0.00 64.86 64.40 1ddb h ILE 83 Cb 0.65 -0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.33 1ddb h ILE 83 CO 0.00 0.15 0.17 0.45 -0.68 0.00 0.00 178.15 178.24 1ddb h HIS 84 N 0.85 0.98 -0.67 1.37 3.86 -1.93 -1.89 115.15 117.72 1ddb h HIS 84 Ca 0.50 -0.11 0.12 0.00 -1.16 0.00 0.00 60.37 59.72 1ddb h HIS 84 Cb 0.61 -0.28 -0.08 0.00 1.06 0.00 0.00 27.41 28.71 1ddb h HIS 84 CO -0.03 0.83 0.23 -0.91 0.86 0.00 0.00 177.93 178.91 1ddb h ASN 85 N 0.86 0.19 0.04 2.45 -0.26 -1.00 0.32 115.58 118.17 1ddb h ASN 85 Ca 0.19 0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1ddb h ASN 85 Cb 0.32 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1ddb h ASN 85 CO -0.00 0.09 -0.02 -0.29 -1.06 0.00 0.00 177.43 176.15 1ddb h ILE 86 N 0.39 1.03 -0.93 2.81 6.09 -0.95 -0.57 117.51 125.38 1ddb h ILE 86 Ca 0.35 -0.21 0.16 0.00 -1.37 0.00 0.00 64.86 63.79 1ddb h ILE 86 Cb 0.50 1.17 -0.08 0.00 0.47 0.00 0.00 36.82 38.88 1ddb h ILE 86 CO -0.37 0.05 0.59 0.00 -3.07 0.00 0.00 178.15 175.35 1ddb h ALA 87 N 0.82 1.82 0.14 0.18 0.00 -0.37 -0.87 119.26 120.98 1ddb h ALA 87 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ddb h ALA 87 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ddb h ALA 87 CO 0.01 -0.10 -0.07 -0.09 0.00 0.00 0.00 179.25 179.01 1ddb h ARG 88 N 0.70 -0.18 0.00 0.00 2.43 0.26 -2.02 114.38 115.57 1ddb h ARG 88 Ca 0.48 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1ddb h ARG 88 Cb 0.79 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1ddb h ARG 88 CO -0.24 0.07 0.33 1.25 -1.51 0.00 0.00 179.97 179.88 1ddb h HIS 89 N -0.42 0.00 0.00 2.20 2.76 0.25 -2.26 115.15 117.68 1ddb h HIS 89 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1ddb h HIS 89 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1ddb h HIS 89 CO 0.00 0.00 0.00 -0.11 -1.30 0.00 0.00 177.93 176.52 1ddb n LEU 90 N -2.81 0.00 -0.17 0.26 7.94 -0.76 0.05 117.00 121.51 1ddb n LEU 90 Ca -0.02 0.92 -0.01 0.00 -1.11 0.00 0.00 56.01 55.79 1ddb n LEU 90 Cb 0.37 -0.42 0.08 0.00 0.53 0.00 0.00 43.42 43.98 1ddb n LEU 90 CO 0.13 -0.42 0.86 0.00 -1.11 0.00 0.00 177.39 176.85 1ddb h ALA 91 N -1.95 0.55 -0.93 1.96 0.00 -1.50 0.18 119.26 117.57 1ddb h ALA 91 Ca 0.00 0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.26 1ddb h ALA 91 Cb 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 1ddb h ALA 91 CO 0.00 -0.37 0.50 0.37 0.00 0.00 0.00 179.25 179.75 1ddb h GLN 92 N 0.15 0.57 0.00 0.00 4.15 -1.39 1.21 115.11 119.80 1ddb h GLN 92 Ca 0.28 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 1ddb h GLN 92 Cb 0.42 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1ddb h GLN 92 CO -0.43 0.38 -0.23 0.97 -1.93 0.00 0.00 178.83 177.59 1ddb h ILE 93 N 0.58 0.74 0.24 2.39 6.09 0.26 -2.75 117.51 125.07 1ddb h ILE 93 Ca 0.55 -0.95 -0.01 0.00 -1.37 0.00 0.00 64.86 63.09 1ddb h ILE 93 Cb 0.94 1.59 0.00 0.00 0.47 0.00 0.00 36.82 39.82 1ddb h ILE 93 CO -0.44 0.22 -0.12 1.23 -3.07 0.00 0.00 178.15 175.98 1ddb h GLY 94 N 1.34 -0.34 0.85 8.18 0.00 0.26 2.14 103.07 115.51 1ddb h GLY 94 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ddb h GLY 94 CO 0.03 -0.12 -0.12 -1.80 0.00 0.00 0.00 176.54 174.52 1ddb h ASP 95 N -0.44 -0.32 -0.52 0.19 1.82 -1.30 0.13 116.42 115.98 1ddb h ASP 95 Ca -0.03 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1ddb h ASP 95 Cb 0.33 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1ddb h ASP 95 CO 0.05 -0.19 0.17 -0.08 -1.61 0.00 0.00 179.24 177.58 1ddb h GLU 96 N -0.28 0.81 -0.96 0.28 4.81 -1.43 -2.62 114.58 115.19 1ddb h GLU 96 Ca 0.00 -0.17 0.13 0.00 -0.13 0.00 0.00 59.36 59.19 1ddb h GLU 96 Cb 0.26 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 1ddb h GLU 96 CO -0.03 0.75 0.61 1.98 -0.73 0.00 0.00 179.01 181.59 1ddb h MET 97 N 0.72 0.86 -1.36 1.92 4.05 0.39 0.12 114.93 121.63 1ddb h MET 97 Ca 0.17 -0.05 0.39 0.00 -0.28 0.00 0.00 59.70 59.93 1ddb h MET 97 Cb 0.27 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.82 1ddb h MET 97 CO -0.01 0.57 1.26 0.22 0.23 0.00 0.00 176.91 179.18 1ddb h ASP 98 N 0.89 0.00 -0.30 1.39 3.58 -0.58 -1.17 116.42 120.23 1ddb h ASP 98 Ca 0.48 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.95 1ddb h ASP 98 Cb 0.56 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 1ddb h ASP 98 CO -0.24 0.00 -0.18 1.41 -2.88 0.00 0.00 179.24 177.35 1ddb n HIS 99 N -3.54 -0.13 -3.38 0.28 8.25 0.03 -3.94 115.22 112.79 1ddb n HIS 99 Ca 0.31 0.38 -0.20 0.00 -0.26 0.00 0.00 57.72 57.95 1ddb n HIS 99 Cb 1.67 -0.45 -0.09 0.00 1.12 0.00 0.00 29.99 32.24 1ddb n HIS 99 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1ddb s ASN 100 N -3.94 1.53 -0.99 0.41 0.01 -0.44 -5.05 114.94 106.46 1ddb s ASN 100 Ca -0.04 -1.78 -0.04 0.00 -0.71 0.00 0.00 52.86 50.29 1ddb s ASN 100 Cb 0.03 0.34 0.26 0.00 0.41 0.00 0.00 41.25 42.29 1ddb s ASN 100 CO 0.19 -0.26 1.00 0.00 -1.51 0.00 0.00 177.10 176.51 1ddb n ILE 101 N 4.12 3.85 0.00 0.60 3.06 -1.24 -4.54 119.36 125.20 1ddb n ILE 101 Ca 0.12 -5.33 0.00 0.00 -2.50 0.00 0.00 62.75 55.04 1ddb n ILE 101 Cb 0.43 -2.40 0.00 0.00 0.54 0.00 0.00 39.64 38.22 1ddb n ILE 101 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 1ddb n GLN 102 N 2.22 0.00 0.24 9.51 0.00 -1.26 -3.74 117.38 124.34 1ddb n GLN 102 Ca 0.24 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 57.37 1ddb n GLN 102 Cb 0.37 0.00 0.41 0.00 0.00 0.00 0.00 30.24 31.02 1ddb n GLN 102 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1ddb h PRO 103 N 0.00 0.00 0.00 3.69 0.13 -2.00 -3.33 132.00 130.49 1ddb h PRO 103 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ddb h PRO 103 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ddb h PRO 103 CO 0.00 0.06 0.00 0.25 -0.23 0.00 0.00 178.00 178.08 1ddb n THR 104 N -3.14 0.00 0.00 1.56 -2.24 -1.26 -4.98 114.28 104.22 1ddb n THR 104 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1ddb n THR 104 Cb 0.44 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1ddb n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddb n LEU 105 N 0.00 0.00 0.33 3.22 -0.00 -1.25 -5.02 117.00 114.27 1ddb n LEU 105 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1ddb n LEU 105 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.81 1ddb n LEU 105 CO 0.00 0.00 0.50 0.58 -0.00 0.00 0.00 177.39 178.47 1ddb h VAL 106 N 0.00 0.00 0.00 1.47 2.07 -1.84 -2.37 116.25 115.58 1ddb h VAL 106 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ddb h VAL 106 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ddb h VAL 106 CO 0.00 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.45 1ddb n ARG 107 N -4.30 0.14 0.42 1.57 0.00 -1.25 -2.95 116.66 110.30 1ddb n ARG 107 Ca -0.10 0.45 -0.17 0.00 -0.00 0.00 0.00 57.85 58.03 1ddb n ARG 107 Cb 0.33 -1.81 -0.08 0.00 0.00 0.00 0.00 32.46 30.90 1ddb n ARG 107 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1ddb h GLN 108 N 0.00 -1.05 0.80 -0.14 4.20 -1.71 0.46 115.11 117.68 1ddb h GLN 108 Ca 0.00 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1ddb h GLN 108 Cb 0.24 0.24 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1ddb h GLN 108 CO 0.00 -0.70 -0.39 1.37 -0.67 0.00 0.00 178.83 178.44 1ddb h LEU 109 N -1.19 -0.91 -1.50 1.46 8.10 -1.39 0.32 115.31 120.20 1ddb h LEU 109 Ca -0.11 0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.91 1ddb h LEU 109 Cb 0.84 0.24 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1ddb h LEU 109 CO 0.18 -0.63 0.32 0.00 -4.11 0.00 0.00 178.44 174.20 1ddb h ALA 110 N -1.46 1.28 0.00 0.17 0.00 -1.63 0.20 119.26 117.83 1ddb h ALA 110 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ddb h ALA 110 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ddb h ALA 110 CO 0.18 -0.28 -0.17 0.00 0.00 0.00 0.00 179.25 178.98 1ddb h ALA 111 N 1.28 0.02 -0.98 0.00 0.00 0.11 -2.87 119.26 116.82 1ddb h ALA 111 Ca 0.00 -0.32 0.15 0.00 0.00 0.00 0.00 54.91 54.74 1ddb h ALA 111 Cb 0.64 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.40 1ddb h ALA 111 CO 0.00 0.12 -0.40 -0.56 0.00 0.00 0.00 179.25 178.41 1ddb h GLN 112 N -1.00 -0.01 -0.81 0.00 -0.00 0.17 0.77 115.11 114.23 1ddb h GLN 112 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1ddb h GLN 112 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.92 1ddb h GLN 112 CO -0.02 -0.01 0.41 0.27 -0.00 0.00 0.00 178.83 179.49 1ddb h PHE 113 N -0.01 1.15 0.00 0.06 -5.15 -1.63 -3.32 116.94 108.04 1ddb h PHE 113 Ca 0.33 -0.05 0.00 0.00 -0.20 0.00 0.00 57.97 58.05 1ddb h PHE 113 Cb 0.58 -0.36 0.00 0.00 0.22 0.00 0.00 35.95 36.39 1ddb h PHE 113 CO -0.88 0.82 0.81 -0.12 -2.00 0.00 0.00 178.31 176.95 1ddb n MET 114 N -4.37 0.00 0.00 6.09 1.56 0.27 -4.47 117.12 116.20 1ddb n MET 114 Ca 0.08 -0.40 0.00 0.00 -0.27 0.00 0.00 57.70 57.11 1ddb n MET 114 Cb 0.12 -1.81 0.00 0.00 2.15 0.00 0.00 33.22 33.68 1ddb n MET 114 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1ddb n ASN 115 N 4.51 0.00 0.00 6.12 2.85 -1.25 -4.97 115.26 122.52 1ddb n ASN 115 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ddb n ASN 115 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddb n GLY 116 N 0.00 -1.81 2.69 8.20 0.00 -1.26 -4.83 105.19 108.18 1ddb n GLY 116 Ca 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 1ddb n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 117 N 0.07 -1.39 -2.25 1.61 7.64 -1.26 -5.05 113.62 113.00 1ddb n SER 117 Ca 0.00 -2.55 -0.00 0.00 1.01 0.00 0.00 58.87 57.33 1ddb n SER 117 Cb 0.00 0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 64.00 1ddb n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 118 N -0.47 -5.66 -4.43 -3.43 7.99 -1.26 -5.00 117.00 104.74 1ddb n LEU 118 Ca -0.01 0.94 -0.37 0.00 -0.01 0.00 0.00 56.01 56.56 1ddb n LEU 118 Cb 0.84 -2.46 -0.12 0.00 -0.11 0.00 0.00 43.42 41.56 1ddb n LEU 118 CO -0.02 -2.04 -0.27 -0.55 -1.51 0.00 0.00 177.39 173.00 1ddb s SER 119 N -0.97 5.17 -0.48 -1.43 0.15 -1.26 -4.30 113.70 110.59 1ddb s SER 119 Ca -0.01 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1ddb s SER 119 Cb 0.00 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1ddb s SER 119 CO 0.49 -0.08 0.00 1.21 1.20 0.00 0.00 173.24 176.06 1ddb n GLU 120 N 4.92 -0.54 -2.53 5.44 2.13 -1.26 -3.56 120.64 125.25 1ddb n GLU 120 Ca -0.16 0.54 -0.04 0.00 0.66 0.00 0.00 57.16 58.17 1ddb n GLU 120 Cb 0.51 -4.23 0.01 0.00 0.27 0.00 0.00 31.44 27.99 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ddb n GLU 121 N -2.42 -1.53 0.00 5.31 1.02 -1.26 -4.86 120.64 116.90 1ddb n GLU 121 Ca -0.05 1.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.66 1ddb n GLU 121 Cb 0.20 -4.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.05 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ddb n ASP 122 N -0.69 0.00 -0.45 1.62 5.68 -1.25 -5.05 116.55 116.41 1ddb n ASP 122 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1ddb n ASP 122 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1ddb n ASP 122 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1ddb n LYS 123 N 0.00 0.00 -0.00 0.11 3.00 -1.23 -4.67 118.16 115.37 1ddb n LYS 123 Ca 0.00 0.13 0.04 0.00 -0.00 0.00 0.00 58.31 58.48 1ddb n LYS 123 Cb 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 35.03 34.53 1ddb n LYS 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1ddb n ARG 124 N -0.32 3.37 -0.04 1.64 1.85 -1.26 -4.54 116.66 117.35 1ddb n ARG 124 Ca 0.00 -0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.67 1ddb n ARG 124 Cb 0.15 -0.95 -0.07 0.00 -1.05 0.00 0.00 32.46 30.54 1ddb n ARG 124 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 1ddb h ASN 125 N 0.00 0.75 -0.35 2.89 7.08 -1.96 -2.78 115.58 121.22 1ddb h ASN 125 Ca 0.00 -0.60 0.07 0.00 -3.08 0.00 0.00 56.30 52.69 1ddb h ASN 125 Cb 0.23 -0.22 -0.08 0.00 -2.08 0.00 0.00 38.32 36.17 1ddb h ASN 125 CO 0.00 1.22 -0.29 0.00 -2.08 0.00 0.00 177.43 176.28 1ddb h LEU 127 N -0.25 -0.00 -1.82 0.00 -0.00 -1.81 -0.09 115.31 111.34 1ddb h LEU 127 Ca 0.16 0.00 0.28 0.00 -0.00 0.00 0.00 57.88 58.33 1ddb h LEU 127 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.13 1ddb h LEU 127 CO -0.49 -0.00 0.83 0.00 -0.00 0.00 0.00 178.44 178.79 1ddb h ALA 128 N -1.64 2.85 -0.74 0.17 0.00 -1.18 1.29 119.26 120.02 1ddb h ALA 128 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ddb h ALA 128 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1ddb h ALA 128 CO -0.00 -1.34 0.49 -0.22 0.00 0.00 0.00 179.25 178.18 1ddb h LYS 129 N 0.00 0.55 -0.20 0.00 3.64 0.42 0.43 116.57 121.40 1ddb h LYS 129 Ca 0.47 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.62 1ddb h LYS 129 Cb 2.13 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.83 1ddb h LYS 129 CO -0.00 0.37 -0.63 0.00 -2.27 0.00 0.00 179.45 176.91 1ddb h ALA 130 N 1.64 0.35 -0.97 5.00 0.00 0.20 -2.75 119.26 122.73 1ddb h ALA 130 Ca 0.35 -0.55 0.31 0.00 0.00 0.00 0.00 54.91 55.03 1ddb h ALA 130 Cb 0.58 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.18 1ddb h ALA 130 CO -0.12 0.62 0.44 1.25 0.00 0.00 0.00 179.25 181.44 1ddb h LEU 131 N 0.52 0.28 0.08 0.00 6.46 -0.82 10.35 115.31 132.18 1ddb h LEU 131 Ca -0.02 0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1ddb h LEU 131 Cb 1.25 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.41 1ddb h LEU 131 CO 0.13 -0.21 -0.04 -0.78 -0.62 0.00 0.00 178.44 176.92 1ddb h ASP 132 N 0.22 -0.09 0.30 1.25 1.82 -1.42 -2.03 116.42 116.46 1ddb h ASP 132 Ca 0.70 -0.50 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1ddb h ASP 132 Cb 1.60 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.64 1ddb h ASP 132 CO -0.67 0.51 -0.14 -0.33 -1.61 0.00 0.00 179.24 176.99 1ddb h GLU 133 N -0.76 -0.38 -1.03 0.28 5.08 -0.16 0.99 114.58 118.60 1ddb h GLU 133 Ca -0.01 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 58.68 1ddb h GLU 133 Cb 0.58 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.79 1ddb h GLU 133 CO 0.02 -0.20 0.61 0.28 -1.00 0.00 0.00 179.01 178.72 1ddb h VAL 134 N -1.08 0.37 -0.05 3.13 2.07 2.23 1.13 116.25 124.04 1ddb h VAL 134 Ca -0.04 -0.13 -0.23 0.00 0.82 0.00 0.00 66.70 67.12 1ddb h VAL 134 Cb 0.36 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1ddb h VAL 134 CO 0.07 0.07 -0.90 0.50 0.02 0.00 0.00 177.57 177.33 1ddb h LYS 135 N 0.38 0.61 0.00 1.57 1.63 -1.16 -1.25 116.57 118.35 1ddb h LYS 135 Ca 0.70 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1ddb h LYS 135 Cb 1.62 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.40 1ddb h LYS 135 CO -0.52 1.20 0.41 0.00 -3.45 0.00 0.00 179.45 177.09 1ddb h THR 136 N 0.38 0.00 0.00 1.00 1.03 0.40 0.86 112.91 116.57 1ddb h THR 136 Ca -0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.00 1ddb h THR 136 Cb 1.53 0.56 -0.05 0.00 -1.07 0.00 0.00 68.15 69.12 1ddb h THR 136 CO 0.17 0.00 -2.01 0.00 -0.01 0.00 0.00 175.52 173.67 1ddb n ALA 137 N -1.81 1.46 -3.19 0.00 0.00 -0.84 -4.75 120.51 111.37 1ddb n ALA 137 Ca -0.02 -0.87 -0.28 0.00 0.00 0.00 0.00 53.44 52.27 1ddb n ALA 137 Cb 0.45 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.09 3.79 0.00 0.00 -1.74 -0.48 -4.95 117.46 109.98 1ddb n PHE 138 Ca -0.39 -4.02 0.00 0.00 -0.56 0.00 0.00 57.45 52.48 1ddb n PHE 138 Cb 0.75 -0.56 0.00 0.00 1.52 0.00 0.00 39.48 41.19 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 0.37 0.00 0.00 3.97 -0.04 0.29 -3.86 135.00 135.72 1ddb n PRO 139 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1ddb n PRO 139 Cb 0.40 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.00 0.00 0.00 0.54 3.00 -1.26 -0.58 116.66 118.36 1ddb n ARG 140 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ddb n ARG 140 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ddb n ASP 141 N -3.98 0.00 -0.43 6.15 8.00 -1.26 -3.80 116.55 121.24 1ddb n ASP 141 Ca 0.00 0.00 0.35 0.00 0.71 0.00 0.00 54.79 55.85 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 0.24 -0.39 0.00 0.00 177.20 177.05 1ddb h MET 142 N 0.00 0.13 0.05 -1.24 2.86 -1.92 4.32 114.93 119.14 1ddb h MET 142 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ddb h MET 142 Cb 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1ddb h MET 142 CO 0.00 0.09 -0.05 1.49 1.06 0.00 0.00 176.91 179.50 1ddb h GLU 143 N 0.13 -0.10 0.21 1.72 4.81 -1.90 -2.40 114.58 117.06 1ddb h GLU 143 Ca 0.74 0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.69 1ddb h GLU 143 Cb 2.41 0.02 0.03 0.00 0.63 0.00 0.00 28.75 31.84 1ddb h GLU 143 CO -0.27 -0.06 -1.24 -0.91 -0.73 0.00 0.00 179.01 175.80 1ddb h ASN 144 N -0.10 0.71 -0.83 1.04 -0.26 -1.37 -3.32 115.58 111.45 1ddb h ASN 144 Ca -0.01 -0.93 0.15 0.00 -0.56 0.00 0.00 56.30 54.95 1ddb h ASN 144 Cb 0.08 -0.23 -0.15 0.00 -1.06 0.00 0.00 38.32 36.97 1ddb h ASN 144 CO -0.00 1.60 -0.26 0.47 -1.06 0.00 0.00 177.43 178.17 1ddb n ASP 145 N -3.87 -0.41 -0.08 5.81 8.00 1.41 0.54 116.55 127.94 1ddb n ASP 145 Ca -0.16 1.43 0.22 0.00 0.71 0.00 0.00 54.79 56.99 1ddb n ASP 145 Cb 1.00 -0.38 0.67 0.00 -0.02 0.00 0.00 41.12 42.39 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ddb h LYS 146 N 0.00 0.06 0.32 -1.24 3.64 -1.53 -0.63 116.57 117.20 1ddb h LYS 146 Ca 0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1ddb h LYS 146 Cb 0.55 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1ddb h LYS 146 CO -0.84 0.04 -0.37 0.00 -2.27 0.00 0.00 179.45 176.02 1ddb h ALA 147 N 1.66 -0.76 -0.87 5.00 0.00 1.36 -0.68 119.26 124.97 1ddb h ALA 147 Ca 0.33 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1ddb h ALA 147 Cb 1.22 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 1ddb h ALA 147 CO -0.02 -0.97 0.47 0.00 0.00 0.00 0.00 179.25 178.72 1ddb h MET 148 N -0.73 0.67 -0.33 0.00 -0.00 -0.92 -0.51 114.93 113.11 1ddb h MET 148 Ca -0.02 -0.04 0.05 0.00 -0.00 0.00 0.00 59.70 59.69 1ddb h MET 148 Cb 0.67 -0.15 -0.05 0.00 -0.00 0.00 0.00 31.60 32.07 1ddb h MET 148 CO -0.09 0.44 0.05 -0.07 -0.00 0.00 0.00 176.91 177.25 1ddb h LEU 149 N 0.69 -0.02 -1.94 -0.10 3.38 -1.04 0.21 115.31 116.49 1ddb h LEU 149 Ca 0.46 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.70 1ddb h LEU 149 Cb 0.61 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1ddb h LEU 149 CO -0.34 0.03 0.61 0.40 0.09 0.00 0.00 178.44 179.23 1ddb h ILE 150 N 0.16 0.46 0.05 1.22 2.04 0.41 0.12 117.51 121.96 1ddb h ILE 150 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1ddb h ILE 150 Cb 0.18 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1ddb h ILE 150 CO -0.22 0.00 -0.02 0.24 0.00 0.00 0.00 178.15 178.15 1ddb h MET 151 N 0.00 -0.06 -0.89 2.37 2.86 -0.32 -1.90 114.93 117.00 1ddb h MET 151 Ca 0.35 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.17 1ddb h MET 151 Cb 1.56 0.01 -0.17 0.00 0.06 0.00 0.00 31.60 33.07 1ddb h MET 151 CO -0.00 0.27 -0.24 0.00 1.06 0.00 0.00 176.91 178.00 1ddb h THR 152 N -0.40 0.10 0.00 2.22 1.03 -0.53 1.59 112.91 116.92 1ddb h THR 152 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.32 1ddb h THR 152 Cb 0.36 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.53 1ddb h THR 152 CO 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 175.52 175.18 1ddb h MET 153 N -0.01 0.00 -0.29 0.00 3.00 -1.50 -3.08 114.93 113.06 1ddb h MET 153 Ca 0.41 0.00 0.06 0.00 0.00 0.00 0.00 59.70 60.17 1ddb h MET 153 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 31.60 32.19 1ddb h MET 153 CO -0.91 0.34 -0.07 1.25 0.00 0.00 0.00 176.91 177.52 1ddb h LEU 154 N 0.00 -0.26 0.04 -0.10 7.12 0.31 0.93 115.31 123.35 1ddb h LEU 154 Ca -0.00 0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.12 1ddb h LEU 154 Cb 0.79 0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 41.05 1ddb h LEU 154 CO 0.04 -0.09 -0.38 -0.07 -0.13 0.00 0.00 178.44 177.81 1ddb h LEU 155 N 0.00 -1.15 -0.02 2.25 -0.00 -1.29 0.42 115.31 115.52 1ddb h LEU 155 Ca 0.14 0.14 0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1ddb h LEU 155 Cb 0.21 0.45 -0.03 0.00 -0.00 0.00 0.00 40.66 41.28 1ddb h LEU 155 CO -0.29 -0.44 -0.14 0.00 -0.00 0.00 0.00 178.44 177.56 1ddb h ALA 156 N 0.02 -0.15 -0.54 1.53 0.00 -1.47 4.89 119.26 123.55 1ddb h ALA 156 Ca 0.04 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1ddb h ALA 156 Cb 0.63 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1ddb h ALA 156 CO -0.27 -0.63 -0.26 0.87 0.00 0.00 0.00 179.25 178.95 1ddb h LYS 157 N -0.23 -0.13 -0.11 0.00 1.57 0.15 0.46 116.57 118.29 1ddb h LYS 157 Ca 0.06 0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 1ddb h LYS 157 Cb 0.30 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1ddb h LYS 157 CO -0.15 -0.09 -0.64 1.57 -0.57 0.00 0.00 179.45 179.57 1ddb h LYS 158 N -0.13 0.63 0.00 3.15 2.10 0.47 -1.39 116.57 121.40 1ddb h LYS 158 Ca 0.24 -0.53 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1ddb h LYS 158 Cb 0.51 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1ddb h LYS 158 CO -0.62 1.15 0.00 0.28 -2.00 0.00 0.00 179.45 178.26 1ddb n VAL 159 N -4.10 0.00 -0.09 0.07 0.31 1.59 0.20 118.33 116.31 1ddb n VAL 159 Ca -0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.22 1ddb n VAL 159 Cb 0.68 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.58 1ddb n VAL 159 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddb n ALA 160 N -3.00 -0.14 0.10 3.52 0.00 0.24 1.18 120.51 122.41 1ddb n ALA 160 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.66 1ddb n ALA 160 Cb 0.00 0.01 0.17 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.85 0.16 0.00 0.00 7.64 0.14 -3.21 113.62 114.51 1ddb n SER 161 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1ddb n SER 161 Cb 0.06 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1ddb n SER 161 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ddb n HIS 162 N -1.70 -0.44 -3.61 1.43 -0.00 5.73 -4.80 115.22 111.84 1ddb n HIS 162 Ca -0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 1ddb n HIS 162 Cb 0.38 0.21 -0.08 0.00 -0.00 0.00 0.00 29.99 30.50 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb s ALA 163 N -1.42 3.55 -1.16 -1.41 0.00 9.35 -4.86 121.76 125.81 1ddb s ALA 163 Ca 0.00 -2.95 -0.19 0.00 0.00 0.00 0.00 51.96 48.82 1ddb s ALA 163 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1ddb s ALA 163 CO 0.00 -2.03 1.97 -0.35 0.00 0.00 0.00 175.76 175.35 1ddb n PRO 164 N 4.17 2.26 0.00 0.00 -0.04 -1.25 0.83 135.00 140.96 1ddb n PRO 164 Ca 0.02 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1ddb n PRO 164 Cb 0.41 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 1ddb n PRO 164 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ddb n SER 165 N 8.75 0.00 -3.82 3.54 2.88 -1.26 -4.94 113.62 118.76 1ddb n SER 165 Ca 0.49 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.75 1ddb n SER 165 Cb 0.43 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.66 1ddb n SER 165 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ddb n LEU 166 N -2.01 2.51 0.07 2.46 4.77 -1.26 -4.91 117.00 118.64 1ddb n LEU 166 Ca 0.00 -5.09 0.21 0.00 -0.03 0.00 0.00 56.01 51.10 1ddb n LEU 166 Cb 0.00 -0.56 0.73 0.00 -2.33 0.00 0.00 43.42 41.27 1ddb n LEU 166 CO 0.00 1.78 1.19 0.17 -1.33 0.00 0.00 177.39 179.19 1ddb h LEU 167 N 5.40 0.00 -0.02 2.23 8.10 -1.92 0.13 115.31 129.23 1ddb h LEU 167 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.16 1ddb h LEU 167 Cb 0.77 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.99 1ddb h LEU 167 CO 0.67 0.00 0.01 0.08 -4.11 0.00 0.00 178.44 175.09 1ddb h ARG 168 N 0.00 0.02 -0.12 0.17 0.11 -1.93 -2.07 114.38 110.55 1ddb h ARG 168 Ca 0.21 -0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.22 1ddb h ARG 168 Cb 1.17 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 1ddb h ARG 168 CO -0.00 0.05 -0.22 0.22 0.10 0.00 0.00 179.97 180.12 1ddb h ASP 169 N -0.02 0.21 0.06 0.08 1.82 -1.09 -2.48 116.42 115.00 1ddb h ASP 169 Ca 0.01 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1ddb h ASP 169 Cb 0.04 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 1ddb h ASP 169 CO -0.00 0.44 -0.23 0.58 -1.61 0.00 0.00 179.24 178.41 1ddb h VAL 170 N 0.20 0.00 -0.19 2.25 2.07 -0.74 1.05 116.25 120.88 1ddb h VAL 170 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1ddb h VAL 170 Cb 0.50 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1ddb h VAL 170 CO 0.03 0.00 -0.15 -0.26 0.02 0.00 0.00 177.57 177.21 1ddb h PHE 171 N -0.34 -0.39 -0.87 1.57 -1.00 -1.41 -0.80 116.94 113.71 1ddb h PHE 171 Ca -0.00 0.03 0.15 0.00 2.81 0.00 0.00 57.97 60.96 1ddb h PHE 171 Cb 0.34 0.20 -0.10 0.00 3.61 0.00 0.00 35.95 40.00 1ddb h PHE 171 CO -0.36 -0.22 0.46 1.25 -1.61 0.00 0.00 178.31 177.83 1ddb h HIS 172 N -0.16 0.81 -1.00 -0.55 2.76 -1.13 0.24 115.15 116.12 1ddb h HIS 172 Ca 0.12 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.42 1ddb h HIS 172 Cb 0.33 -0.23 -0.08 0.00 1.55 0.00 0.00 27.41 28.99 1ddb h HIS 172 CO -0.30 0.19 0.64 1.15 -1.30 0.00 0.00 177.93 178.31 1ddb h THR 173 N 0.64 1.00 0.00 6.26 2.02 0.26 0.78 112.91 123.87 1ddb h THR 173 Ca 0.48 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1ddb h THR 173 Cb 0.69 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1ddb h THR 173 CO -0.37 0.19 0.00 0.35 0.37 0.00 0.00 175.52 176.07 1ddb n THR 174 N -4.56 0.00 0.63 3.16 -2.24 0.78 -2.72 114.28 109.33 1ddb n THR 174 Ca 0.17 1.08 0.00 0.00 -2.27 0.00 0.00 64.05 63.03 1ddb n THR 174 Cb 0.28 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 1ddb n THR 174 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ddb n VAL 175 N -1.57 0.00 0.02 2.28 0.31 -0.76 -2.82 118.33 115.79 1ddb n VAL 175 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1ddb n VAL 175 Cb 0.00 -0.33 -0.01 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.05 -0.12 0.34 4.52 7.08 0.81 -2.39 115.58 125.86 1ddb h ASN 176 Ca 0.00 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.21 1ddb h ASN 176 Cb 0.01 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 1ddb h ASN 176 CO 0.00 0.30 -0.17 -0.26 -2.08 0.00 0.00 177.43 175.22 1ddb h PHE 177 N -0.92 -0.43 -0.61 4.14 -1.00 -1.55 0.21 116.94 116.78 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 0.11 0.14 -0.09 0.00 3.61 0.00 0.00 35.95 39.73 1ddb h PHE 177 CO 0.00 -0.20 0.13 0.82 -1.61 0.00 0.00 178.31 177.46 1ddb h ILE 178 N -0.57 0.63 -0.76 -0.55 2.04 -1.74 4.88 117.51 121.44 1ddb h ILE 178 Ca -0.05 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1ddb h ILE 178 Cb 0.42 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1ddb h ILE 178 CO 0.08 0.05 0.37 -1.13 0.00 0.00 0.00 178.15 177.52 1ddb h ASN 179 N 0.26 0.98 -0.53 1.72 -0.73 -1.22 -1.18 115.58 114.88 1ddb h ASN 179 Ca 0.32 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1ddb h ASN 179 Cb 0.48 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1ddb h ASN 179 CO -0.41 0.83 0.00 0.00 -0.37 0.00 0.00 177.43 177.48 1ddb n GLN 180 N -4.40 2.52 0.00 6.67 6.02 0.71 -4.58 117.38 124.31 1ddb n GLN 180 Ca 0.07 -2.04 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 1ddb n GLN 180 Cb 0.13 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ddb n ASN 181 N 1.02 0.00 -1.21 1.08 5.15 1.57 -4.92 115.26 117.95 1ddb n ASN 181 Ca 0.19 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.21 1ddb n ASN 181 Cb 0.54 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 40.01 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ddb n LEU 182 N 0.00 3.45 -2.67 1.20 7.99 -1.26 -4.90 117.00 120.82 1ddb n LEU 182 Ca 0.00 -1.75 -0.06 0.00 -0.01 0.00 0.00 56.01 54.19 1ddb n LEU 182 Cb 0.00 -0.56 -0.02 0.00 -0.11 0.00 0.00 43.42 42.74 1ddb n LEU 182 CO 0.00 0.48 -0.07 0.33 -1.51 0.00 0.00 177.39 176.61 1ddb n PHE 183 N 0.41 -0.22 0.00 -1.77 7.35 -1.15 -3.95 117.46 118.13 1ddb n PHE 183 Ca 0.15 0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1ddb n PHE 183 Cb 0.72 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1ddb n PHE 183 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ddb n SER 184 N -0.17 0.00 -0.13 -2.13 7.64 -1.26 -4.03 113.62 113.54 1ddb n SER 184 Ca -0.04 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 1ddb n SER 184 Cb 0.12 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1ddb n SER 184 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ddb h TYR 185 N 0.00 -1.26 -0.40 1.43 5.03 -1.88 1.49 116.97 121.38 1ddb h TYR 185 Ca 0.00 0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.33 1ddb h TYR 185 Cb 0.00 0.61 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 1ddb h TYR 185 CO 0.00 -0.44 0.06 -0.39 -1.32 0.00 0.00 178.16 176.07 1ddb h VAL 186 N -0.32 1.24 -0.73 1.81 -1.51 -1.89 -1.73 116.25 113.12 1ddb h VAL 186 Ca 0.14 -0.89 0.09 0.00 -1.23 0.00 0.00 66.70 64.81 1ddb h VAL 186 Cb 0.58 1.04 -0.07 0.00 -2.13 0.00 0.00 31.29 30.71 1ddb h VAL 186 CO -0.58 0.30 0.38 0.03 -1.23 0.00 0.00 177.57 176.48 1ddb h ARG 187 N 0.52 0.63 -0.70 5.19 3.08 -1.30 -0.00 114.38 121.80 1ddb h ARG 187 Ca 0.12 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1ddb h ARG 187 Cb 0.38 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1ddb h ARG 187 CO 0.01 0.42 0.28 -0.91 -1.07 0.00 0.00 179.97 178.70 1ddb h ASN 188 N 0.65 0.97 0.16 7.04 2.35 0.23 0.43 115.58 127.41 1ddb h ASN 188 Ca 0.36 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1ddb h ASN 188 Cb 0.36 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1ddb h ASN 188 CO -0.26 0.87 -0.25 0.25 -1.65 0.00 0.00 177.43 176.40 1ddb h LEU 189 N 1.00 -0.68 -0.73 1.61 5.85 -0.15 0.34 115.31 122.55 1ddb h LEU 189 Ca 0.23 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1ddb h LEU 189 Cb 0.21 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1ddb h LEU 189 CO -0.02 -0.34 0.32 -0.37 -0.34 0.00 0.00 178.44 177.69 1ddb h VAL 190 N -0.47 1.25 0.13 1.05 -1.51 -0.87 0.27 116.25 116.10 1ddb h VAL 190 Ca 0.02 -0.73 0.02 0.00 -1.23 0.00 0.00 66.70 64.77 1ddb h VAL 190 Cb 0.48 0.36 -0.04 0.00 -2.13 0.00 0.00 31.29 29.96 1ddb h VAL 190 CO -0.11 0.30 -0.33 -0.09 -1.23 0.00 0.00 177.57 176.11 1ddb h ARG 191 N 1.04 -0.54 -0.53 5.19 9.65 0.58 -2.26 114.38 127.51 1ddb h ARG 191 Ca 0.25 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.13 1ddb h ARG 191 Cb 0.17 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1ddb h ARG 191 CO -0.03 -0.36 0.20 -2.95 2.80 0.00 0.00 179.97 179.64 1ddb h ASN 192 N -0.56 0.74 -0.70 -3.80 -1.07 -0.16 -3.07 115.58 106.95 1ddb h ASN 192 Ca 0.03 -0.18 -0.72 0.00 0.07 0.00 0.00 56.30 55.50 1ddb h ASN 192 Cb 0.59 -0.19 -0.08 0.00 -2.07 0.00 0.00 38.32 36.57 1ddb h ASN 192 CO -0.19 0.71 2.77 1.21 0.07 0.00 0.00 177.43 182.00 1ddb n GLU 193 N -4.52 3.66 0.00 4.14 0.00 0.94 -3.62 120.64 121.23 1ddb n GLU 193 Ca 0.02 -3.01 0.00 0.00 0.00 0.00 0.00 57.16 54.17 1ddb n GLU 193 Cb 0.16 -2.93 0.00 0.00 0.00 0.00 0.00 31.44 28.68 1ddb n GLU 193 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1ddb n MET 194 N 3.91 0.00 0.00 5.31 1.56 -1.14 -4.74 117.12 122.02 1ddb n MET 194 Ca 0.56 0.00 0.13 0.00 -0.27 0.00 0.00 57.70 58.12 1ddb n MET 194 Cb 0.32 0.00 0.37 0.00 2.15 0.00 0.00 33.22 36.06 1ddb n MET 194 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77