#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb s ASP 2 N 0.00 4.44 0.29 7.83 -4.77 -1.26 -5.15 116.67 118.05 1ddb s ASP 2 Ca 0.00 -1.14 0.03 0.00 -3.30 0.00 0.00 52.55 48.14 1ddb s ASP 2 Cb 0.00 -0.28 -0.01 0.00 -1.09 0.00 0.00 42.92 41.54 1ddb s ASP 2 CO 0.00 -0.65 0.32 -1.54 0.70 0.00 0.00 175.17 174.00 1ddb n SER 3 N -1.32 -0.85 -4.39 2.11 3.41 -1.26 -5.19 113.62 106.15 1ddb n SER 3 Ca -0.03 -2.76 -0.23 0.00 -0.26 0.00 0.00 58.87 55.60 1ddb n SER 3 Cb 0.65 1.75 -0.10 0.00 -0.26 0.00 0.00 64.21 66.24 1ddb n SER 3 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ddb s GLU 4 N -2.95 1.74 0.09 4.33 8.01 -1.26 -5.13 118.70 123.53 1ddb s GLU 4 Ca 0.30 -2.00 0.01 0.00 0.01 0.00 0.00 54.97 53.29 1ddb s GLU 4 Cb 0.01 -0.83 0.02 0.00 -4.31 0.00 0.00 34.13 29.01 1ddb s GLU 4 CO 0.21 -0.27 0.12 1.55 0.01 0.00 0.00 175.26 176.89 1ddb n VAL 5 N -0.77 0.00 0.00 2.63 3.14 -1.26 -5.09 118.33 116.98 1ddb n VAL 5 Ca -0.04 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1ddb n VAL 5 Cb 0.66 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 1ddb n VAL 5 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ddb n SER 6 N -2.94 0.00 -2.99 6.55 2.88 -1.26 -5.11 113.62 110.75 1ddb n SER 6 Ca 0.02 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1ddb n SER 6 Cb 0.08 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.17 1ddb n SER 6 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ddb n ASN 7 N -1.94 -1.11 0.00 -3.46 5.15 -1.26 -5.07 115.26 107.57 1ddb n ASN 7 Ca 0.00 -1.42 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 1ddb n ASN 7 Cb 0.00 1.76 0.00 0.00 -0.53 0.00 0.00 39.78 41.01 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 -0.64 2.24 3.28 8.20 0.00 -1.26 -4.55 105.19 112.45 1ddb n GLY 8 Ca 0.01 0.25 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 1ddb n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddb s SER 9 N 0.00 0.93 0.00 1.61 1.04 -1.26 -4.26 113.70 111.76 1ddb s SER 9 Ca 0.00 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1ddb s SER 9 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1ddb s SER 9 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1ddb n GLY 10 N -0.43 3.85 3.93 7.32 0.00 -1.26 -5.16 105.19 113.43 1ddb n GLY 10 Ca 0.01 -1.23 -0.00 0.00 0.00 0.00 0.00 46.02 44.80 1ddb n GLY 10 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ddb s LEU 11 N 0.00 0.01 0.19 0.99 0.05 -1.26 -5.17 118.68 113.49 1ddb s LEU 11 Ca 0.00 -0.46 -0.11 0.00 0.05 0.00 0.00 54.13 53.60 1ddb s LEU 11 Cb 0.00 1.73 -0.00 0.00 -2.05 0.00 0.00 46.19 45.87 1ddb s LEU 11 CO 0.00 -0.67 0.38 -0.83 -0.55 0.00 0.00 176.35 174.68 1ddb s GLY 12 N -3.59 0.40 0.62 -3.48 0.00 -1.26 -5.07 107.32 94.94 1ddb s GLY 12 Ca 0.25 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1ddb s GLY 12 CO 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 173.10 172.45 1ddb n ALA 13 N -0.29 -3.41 -4.25 3.20 0.00 -1.26 -4.73 120.51 109.77 1ddb n ALA 13 Ca -0.06 0.85 -0.33 0.00 0.00 0.00 0.00 53.44 53.90 1ddb n ALA 13 Cb 0.63 -1.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1ddb n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ddb n LYS 14 N -3.98 -1.90 0.15 0.00 4.01 -1.26 -4.82 118.16 110.36 1ddb n LYS 14 Ca -0.08 0.23 -0.14 0.00 -0.51 0.00 0.00 58.31 57.81 1ddb n LYS 14 Cb 0.65 -4.32 -0.08 0.00 -0.51 0.00 0.00 35.03 30.77 1ddb n LYS 14 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1ddb h HIS 15 N -1.57 -0.29 -0.10 2.13 2.76 -1.99 0.12 115.15 116.21 1ddb h HIS 15 Ca -0.63 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 57.57 1ddb h HIS 15 Cb 1.39 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 30.41 1ddb h HIS 15 CO 0.57 -0.18 -0.12 0.82 -1.30 0.00 0.00 177.93 177.72 1ddb h ILE 16 N -0.32 0.68 -0.65 6.26 1.08 -1.99 -1.72 117.51 120.85 1ddb h ILE 16 Ca -0.03 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.55 1ddb h ILE 16 Cb 0.25 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 34.59 1ddb h ILE 16 CO 0.05 0.00 0.23 0.74 -0.69 0.00 0.00 178.15 178.48 1ddb h THR 17 N -0.15 0.71 -0.86 -0.27 2.02 -1.87 0.82 112.91 113.31 1ddb h THR 17 Ca 0.08 -0.13 0.19 0.00 0.77 0.00 0.00 66.41 67.31 1ddb h THR 17 Cb 0.26 0.29 -0.11 0.00 -1.74 0.00 0.00 68.15 66.85 1ddb h THR 17 CO -0.19 0.07 0.38 -0.78 0.37 0.00 0.00 175.52 175.37 1ddb h ASP 18 N 0.39 0.36 0.51 4.18 3.58 0.14 1.48 116.42 127.06 1ddb h ASP 18 Ca 0.34 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.88 1ddb h ASP 18 Cb 0.47 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1ddb h ASP 18 CO -0.36 0.07 -0.19 -0.07 -2.88 0.00 0.00 179.24 175.82 1ddb h LEU 19 N 0.46 0.00 -0.05 2.28 -0.00 -0.40 -2.10 115.31 115.49 1ddb h LEU 19 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.38 1ddb h LEU 19 Cb 0.87 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1ddb h LEU 19 CO -0.47 0.19 0.01 0.25 -0.00 0.00 0.00 178.44 178.42 1ddb h LEU 20 N 0.00 0.08 0.92 1.67 5.85 0.28 2.20 115.31 126.32 1ddb h LEU 20 Ca -0.00 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1ddb h LEU 20 Cb 0.49 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ddb h LEU 20 CO 0.02 0.30 -0.44 1.62 -0.34 0.00 0.00 178.44 179.61 1ddb h VAL 21 N -0.14 0.00 -0.25 1.05 3.04 -0.97 1.66 116.25 120.64 1ddb h VAL 21 Ca 0.02 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.61 1ddb h VAL 21 Cb 0.26 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 1ddb h VAL 21 CO 0.00 0.00 0.06 0.15 -1.01 0.00 0.00 177.57 176.77 1ddb h PHE 22 N -1.32 0.34 -0.04 3.17 3.04 -1.42 -2.18 116.94 118.54 1ddb h PHE 22 Ca -0.13 -0.01 -0.22 0.00 3.98 0.00 0.00 57.97 61.59 1ddb h PHE 22 Cb 0.95 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 39.36 1ddb h PHE 22 CO 0.00 0.31 -0.89 0.78 -2.02 0.00 0.00 178.31 176.49 1ddb h GLY 23 N 0.55 0.57 0.35 2.40 0.00 0.39 -2.89 103.07 104.43 1ddb h GLY 23 Ca 0.09 -0.92 0.01 0.00 0.00 0.00 0.00 47.33 46.51 1ddb h GLY 23 CO -0.00 0.82 -0.42 -2.75 0.00 0.00 0.00 176.54 174.18 1ddb h PHE 24 N 0.31 -1.18 -0.62 5.60 3.04 0.31 0.67 116.94 125.08 1ddb h PHE 24 Ca -0.07 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.95 1ddb h PHE 24 Cb 1.52 0.49 -0.05 0.00 2.56 0.00 0.00 35.95 40.47 1ddb h PHE 24 CO 0.07 -0.53 0.35 1.25 -2.02 0.00 0.00 178.31 177.42 1ddb h LEU 25 N -0.71 0.53 -1.89 0.59 5.85 -1.61 0.42 115.31 118.50 1ddb h LEU 25 Ca 0.01 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1ddb h LEU 25 Cb 0.70 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1ddb h LEU 25 CO -0.20 0.36 0.41 0.06 -0.34 0.00 0.00 178.44 178.72 1ddb h GLN 26 N 0.66 0.11 0.00 1.25 -0.00 -1.16 -2.99 115.11 112.99 1ddb h GLN 26 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1ddb h GLN 26 Cb 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1ddb h GLN 26 CO -0.15 0.07 0.00 0.45 -0.00 0.00 0.00 178.83 179.20 1ddb n SER 27 N -4.41 0.00 -2.91 0.06 2.88 0.16 -4.87 113.62 104.54 1ddb n SER 27 Ca 0.11 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 1ddb n SER 27 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1ddb n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ddb n SER 28 N 0.00 0.79 0.00 -3.46 2.88 -1.08 -4.91 113.62 107.85 1ddb n SER 28 Ca 0.00 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1ddb n SER 28 Cb 0.00 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 29 N 0.09 -0.28 0.00 0.46 0.00 -1.13 -4.06 105.19 100.27 1ddb n GLY 29 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.21 0.15 0.14 0.00 -4.23 -1.26 -5.01 115.64 106.63 1ddb s THR 31 Ca 0.00 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 1ddb s THR 31 Cb 0.00 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 1ddb s THR 31 CO 0.00 -0.70 1.58 -0.09 -0.54 0.00 0.00 174.62 174.87 1ddb h ARG 32 N 2.96 -0.44 -0.34 3.99 2.43 -1.95 0.50 114.38 121.53 1ddb h ARG 32 Ca -0.34 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1ddb h ARG 32 Cb 1.18 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1ddb h ARG 32 CO 0.61 -0.29 0.33 1.96 -1.51 0.00 0.00 179.97 181.07 1ddb h GLN 33 N -0.46 0.00 0.33 0.20 4.20 -2.00 -1.45 115.11 115.94 1ddb h GLN 33 Ca 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1ddb h GLN 33 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1ddb h GLN 33 CO -0.44 0.00 -0.16 1.49 -0.67 0.00 0.00 178.83 179.05 1ddb h GLU 34 N 0.00 -0.43 -1.12 1.46 4.57 -0.46 -2.33 114.58 116.27 1ddb h GLU 34 Ca 0.16 0.03 0.32 0.00 -1.18 0.00 0.00 59.36 58.69 1ddb h GLU 34 Cb 0.82 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.45 1ddb h GLU 34 CO -0.00 -0.11 0.79 1.25 -1.18 0.00 0.00 179.01 179.77 1ddb h LEU 35 N -0.87 0.07 -0.07 1.64 6.46 -0.06 0.59 115.31 123.07 1ddb h LEU 35 Ca -0.05 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1ddb h LEU 35 Cb 0.53 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1ddb h LEU 35 CO 0.08 0.01 -0.06 -0.08 -0.62 0.00 0.00 178.44 177.77 1ddb h GLU 36 N 0.06 0.16 0.48 1.25 4.81 -1.27 2.60 114.58 122.66 1ddb h GLU 36 Ca 0.55 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1ddb h GLU 36 Cb 2.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.45 1ddb h GLU 36 CO -0.06 0.58 -0.23 -0.24 -0.73 0.00 0.00 179.01 178.34 1ddb h VAL 37 N -0.26 0.41 -0.47 0.32 3.04 0.38 -1.89 116.25 117.78 1ddb h VAL 37 Ca 0.01 -0.44 -0.07 0.00 -1.01 0.00 0.00 66.70 65.19 1ddb h VAL 37 Cb 0.55 0.57 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 1ddb h VAL 37 CO 0.01 0.06 0.00 -0.07 -1.01 0.00 0.00 177.57 176.57 1ddb h LEU 38 N -0.94 0.81 -0.84 3.16 3.38 -0.17 -2.82 115.31 117.89 1ddb h LEU 38 Ca -0.07 -0.30 0.19 0.00 0.09 0.00 0.00 57.88 57.79 1ddb h LEU 38 Cb 0.59 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.00 1ddb h LEU 38 CO 0.11 0.92 0.33 1.23 0.09 0.00 0.00 178.44 181.11 1ddb h GLY 39 N 0.68 1.35 0.00 0.83 0.00 0.45 -3.43 103.07 102.96 1ddb h GLY 39 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddb h GLY 39 CO 0.02 -0.22 0.00 0.54 0.00 0.00 0.00 176.54 176.88 1ddb n ARG 40 N -5.06 0.00 -3.82 4.80 5.12 -0.71 -4.87 116.66 112.11 1ddb n ARG 40 Ca 0.19 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.98 1ddb n ARG 40 Cb 0.57 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.73 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ddb s GLU 41 N 0.00 0.08 -0.44 5.56 2.56 -1.09 -4.44 118.70 120.93 1ddb s GLU 41 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 54.97 54.98 1ddb s GLU 41 Cb 0.00 -0.02 0.05 0.00 2.00 0.00 0.00 34.13 36.17 1ddb s GLU 41 CO 0.00 -0.05 0.34 -0.51 -0.56 0.00 0.00 175.26 174.48 1ddb s LEU 42 N 0.30 5.35 0.52 2.70 2.01 -1.26 -5.02 118.68 123.28 1ddb s LEU 42 Ca -0.02 -1.20 -0.19 0.00 0.01 0.00 0.00 54.13 52.74 1ddb s LEU 42 Cb -0.03 -2.14 -0.07 0.00 0.01 0.00 0.00 46.19 43.96 1ddb s LEU 42 CO -0.01 -0.56 1.04 -2.16 1.01 0.00 0.00 176.35 175.68 1ddb s PRO 43 N 1.62 3.65 0.16 1.29 0.04 -1.26 -4.79 135.00 135.71 1ddb s PRO 43 Ca 0.04 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1ddb s PRO 43 Cb -0.22 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.27 1ddb s PRO 43 CO 0.07 -0.55 1.57 0.28 0.04 0.00 0.00 177.00 178.41 1ddb h VAL 44 N 1.15 0.11 0.00 -0.36 2.07 -1.98 -3.47 116.25 113.76 1ddb h VAL 44 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ddb h VAL 44 Cb 1.22 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ddb h VAL 44 CO 0.59 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.18 1ddb n GLN 45 N -5.41 -3.17 -4.67 1.57 6.02 -1.26 -5.14 117.38 105.31 1ddb n GLN 45 Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.75 1ddb n GLN 45 Cb 0.35 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.47 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddb s ALA 46 N -1.75 1.64 0.31 -1.58 0.00 -1.26 -5.10 121.76 114.03 1ddb s ALA 46 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1ddb s ALA 46 Cb 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 23.12 22.68 1ddb s ALA 46 CO 0.00 0.37 -0.02 0.98 0.00 0.00 0.00 175.76 177.09 1ddb n TYR 47 N 2.04 -1.74 0.00 0.00 9.36 -1.26 -4.80 117.16 120.75 1ddb n TYR 47 Ca -0.17 0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1ddb n TYR 47 Cb 0.53 -1.18 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 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 -0.89 0.00 0.00 2.98 7.02 -1.26 -4.91 117.44 120.39 1ddb n TRP 48 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 1ddb n TRP 48 Cb 0.30 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1ddb n GLU 49 N -0.44 0.00 0.00 -0.99 2.13 -1.26 -5.08 120.64 115.00 1ddb n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ddb n GLU 49 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddb n ALA 50 N 0.00 0.00 -0.81 4.31 0.00 -1.26 -4.82 120.51 117.94 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 -3.47 0.00 0.00 0.00 177.50 174.03 1ddb n ASP 51 N 3.20 -1.83 -3.21 0.00 -0.08 -1.26 -4.93 116.55 108.44 1ddb n ASP 51 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 1ddb n ASP 51 Cb 0.00 -0.91 -0.01 0.00 2.34 0.00 0.00 41.12 42.54 1ddb n ASP 51 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1ddb n LEU 52 N 0.00 -1.93 -0.07 -2.67 0.00 -1.26 -4.88 117.00 106.19 1ddb n LEU 52 Ca 0.00 0.64 -0.13 0.00 0.00 0.00 0.00 56.01 56.52 1ddb n LEU 52 Cb 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 43.42 42.61 1ddb n LEU 52 CO 0.00 -2.97 -1.00 -1.84 0.00 0.00 0.00 177.39 171.58 1ddb n GLU 53 N 0.95 0.68 -3.69 1.96 0.00 -1.26 -5.00 120.64 114.28 1ddb n GLU 53 Ca 0.09 0.14 -0.22 0.00 0.00 0.00 0.00 57.16 57.18 1ddb n GLU 53 Cb 0.28 -1.61 0.04 0.00 0.00 0.00 0.00 31.44 30.14 1ddb n GLU 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ddb n ASP 54 N -3.05 -1.75 -3.81 -1.84 2.03 -1.26 -2.63 116.55 104.24 1ddb n ASP 54 Ca -0.32 -0.79 -0.28 0.00 0.52 0.00 0.00 54.79 53.92 1ddb n ASP 54 Cb 1.08 -4.18 0.01 0.00 -0.72 0.00 0.00 41.12 37.31 1ddb n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ddb n GLU 55 N -4.32 -1.24 -2.95 -0.67 1.02 -1.26 -4.94 120.64 106.27 1ddb n GLU 55 Ca -0.26 0.64 0.02 0.00 -0.02 0.00 0.00 57.16 57.54 1ddb n GLU 55 Cb 0.66 -2.60 -0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1ddb n GLU 55 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ddb s LEU 56 N -5.50 -0.81 -0.58 -4.62 1.98 -1.08 -5.05 118.68 103.02 1ddb s LEU 56 Ca 0.12 -0.39 0.04 0.00 -2.89 0.00 0.00 54.13 51.01 1ddb s LEU 56 Cb -0.06 1.05 0.37 0.00 0.66 0.00 0.00 46.19 48.21 1ddb s LEU 56 CO 0.90 -0.09 1.16 0.00 -1.89 0.00 0.00 176.35 176.43 1ddb n GLN 57 N 4.03 3.46 -3.28 1.98 6.02 -1.26 -4.92 117.38 123.42 1ddb n GLN 57 Ca 0.08 -4.62 -0.07 0.00 -0.01 0.00 0.00 57.00 52.38 1ddb n GLN 57 Cb 0.61 -2.26 -0.05 0.00 1.02 0.00 0.00 30.24 29.55 1ddb n GLN 57 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1ddb s THR 58 N -4.93 -0.69 0.02 5.09 -1.32 -1.26 -4.98 115.64 107.56 1ddb s THR 58 Ca 0.48 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 1ddb s THR 58 Cb 0.33 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1ddb s THR 58 CO -0.18 -0.22 0.00 -0.67 -2.21 0.00 0.00 174.62 171.34 1ddb n ASP 59 N 5.37 -0.16 -3.21 8.08 2.03 -1.26 -5.10 116.55 122.30 1ddb n ASP 59 Ca 0.01 0.34 -0.16 0.00 0.52 0.00 0.00 54.79 55.49 1ddb n ASP 59 Cb 0.50 0.46 0.02 0.00 -0.72 0.00 0.00 41.12 41.38 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ddb n GLY 60 N -1.20 -0.64 3.05 0.27 0.00 -1.26 -5.01 105.19 100.40 1ddb n GLY 60 Ca 0.00 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.60 1ddb n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ddb s SER 61 N -1.46 -0.04 -0.27 1.61 0.15 -1.26 -5.14 113.70 107.28 1ddb s SER 61 Ca 0.18 0.53 -0.27 0.00 0.70 0.00 0.00 55.95 57.09 1ddb s SER 61 Cb -0.02 1.27 0.18 0.00 -1.71 0.00 0.00 66.02 65.73 1ddb s SER 61 CO 0.53 -0.27 1.31 -1.58 1.20 0.00 0.00 173.24 174.42 1ddb s GLN 62 N 2.59 0.18 0.13 5.44 2.00 -1.26 -5.19 119.66 123.55 1ddb s GLN 62 Ca 0.09 0.12 -0.25 0.00 -2.00 0.00 0.00 55.36 53.31 1ddb s GLN 62 Cb -0.14 0.09 0.08 0.00 0.80 0.00 0.00 33.01 33.83 1ddb s GLN 62 CO -0.15 -0.04 1.06 0.00 -0.50 0.00 0.00 175.29 175.66 1ddb s ALA 63 N -0.49 -1.77 0.19 1.58 0.00 -1.26 -5.19 121.76 114.82 1ddb s ALA 63 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1ddb s ALA 63 Cb -0.03 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1ddb s ALA 63 CO -0.09 -1.06 0.21 0.43 0.00 0.00 0.00 175.76 175.25 1ddb n SER 64 N -0.79 -0.57 0.06 0.00 7.64 -1.26 -5.11 113.62 113.58 1ddb n SER 64 Ca -0.05 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.65 1ddb n SER 64 Cb 0.60 1.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 1ddb n SER 64 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1ddb n ARG 65 N -0.35 0.00 -0.58 1.43 0.00 -1.26 -5.17 116.66 110.73 1ddb n ARG 65 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.95 1ddb n ARG 65 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.76 1ddb n ARG 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1ddb n SER 66 N -2.81 -3.17 0.00 6.15 3.41 -1.26 -5.11 113.62 110.83 1ddb n SER 66 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1ddb n SER 66 Cb 0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 64.21 61.94 1ddb n SER 66 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1ddb n PHE 67 N -2.96 0.00 -1.47 7.33 7.35 -1.26 -5.17 117.46 121.29 1ddb n PHE 67 Ca -0.04 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.69 1ddb n PHE 67 Cb 0.28 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 1ddb n PHE 67 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1ddb n ASN 68 N 0.01 -7.93 -2.10 -2.13 4.13 -1.26 -5.08 115.26 100.90 1ddb n ASN 68 Ca 0.00 1.71 -0.04 0.00 1.68 0.00 0.00 54.58 57.93 1ddb n ASN 68 Cb 0.00 -4.78 0.01 0.00 -1.54 0.00 0.00 39.78 33.48 1ddb n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ddb n GLN 69 N -2.92 0.53 -3.74 3.52 6.02 -1.26 -5.15 117.38 114.38 1ddb n GLN 69 Ca -0.02 -1.08 -0.12 0.00 -0.01 0.00 0.00 57.00 55.77 1ddb n GLN 69 Cb 0.50 1.39 -0.11 0.00 1.02 0.00 0.00 30.24 33.04 1ddb n GLN 69 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ddb s GLY 70 N -2.37 -0.25 -0.27 1.08 0.00 -1.26 -4.72 107.32 99.52 1ddb s GLY 70 Ca 0.10 1.11 -0.01 0.00 0.00 0.00 0.00 44.72 45.92 1ddb s GLY 70 CO 0.05 1.12 0.29 -1.60 0.00 0.00 0.00 173.10 172.97 1ddb s ARG 71 N 0.69 0.30 -0.03 2.90 3.52 -1.26 -4.58 118.95 120.50 1ddb s ARG 71 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 55.73 55.53 1ddb s ARG 71 Cb -0.05 -0.73 0.03 0.00 -1.56 0.00 0.00 34.95 32.63 1ddb s ARG 71 CO -0.05 -0.93 0.05 0.96 -0.81 0.00 0.00 175.30 174.52 1ddb s ILE 72 N 2.37 -0.07 -0.18 4.11 -5.25 -1.26 -5.12 121.20 115.80 1ddb s ILE 72 Ca 0.09 0.27 -0.23 0.00 -0.99 0.00 0.00 60.65 59.79 1ddb s ILE 72 Cb -0.14 -0.11 -0.02 0.00 2.95 0.00 0.00 42.46 45.13 1ddb s ILE 72 CO -0.28 0.11 0.71 -1.83 -1.79 0.00 0.00 174.94 171.86 1ddb s GLU 73 N 1.36 4.26 0.38 0.37 -1.05 -1.26 -5.04 118.70 117.71 1ddb s GLU 73 Ca -0.06 0.78 -0.25 0.00 -0.15 0.00 0.00 54.97 55.30 1ddb s GLU 73 Cb -0.13 -3.57 -0.09 0.00 -0.44 0.00 0.00 34.13 29.90 1ddb s GLU 73 CO -0.03 -0.26 1.06 -1.25 0.95 0.00 0.00 175.26 175.73 1ddb s PRO 74 N 1.94 4.25 -0.06 -4.83 0.04 -1.26 -5.00 135.00 130.08 1ddb s PRO 74 Ca 0.33 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1ddb s PRO 74 Cb -0.16 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 1ddb s PRO 74 CO 0.11 -0.08 -0.06 -0.44 0.04 0.00 0.00 177.00 176.58 1ddb h ASP 75 N 2.75 0.00 -5.23 6.66 5.19 -2.09 -3.51 116.42 120.20 1ddb h ASP 75 Ca -0.48 0.00 0.22 0.00 -0.62 0.00 0.00 57.03 56.15 1ddb h ASP 75 Cb 1.21 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.61 1ddb h ASP 75 CO 0.63 0.31 0.61 -0.94 -3.12 0.00 0.00 179.24 176.73 1ddb s SER 76 N -4.41 -0.17 0.11 6.45 1.04 -1.26 -5.06 113.70 110.41 1ddb s SER 76 Ca -0.05 -0.22 -0.29 0.00 0.48 0.00 0.00 55.95 55.87 1ddb s SER 76 Cb 0.01 0.35 -0.10 0.00 0.10 0.00 0.00 66.02 66.37 1ddb s SER 76 CO 0.07 -0.62 1.48 -0.33 0.98 0.00 0.00 173.24 174.83 1ddb h GLU 77 N 2.00 -0.38 0.00 4.02 3.07 -2.06 -3.44 114.58 117.79 1ddb h GLU 77 Ca -0.24 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1ddb h GLU 77 Cb 1.22 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1ddb h GLU 77 CO 0.27 -0.25 0.00 0.43 -1.40 0.00 0.00 179.01 178.06 1ddb n SER 78 N -5.06 0.00 0.00 1.42 7.64 -1.26 -4.79 113.62 111.57 1ddb n SER 78 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ddb n SER 78 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1ddb n SER 78 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ddb n GLN 79 N 0.00 0.00 -0.39 1.43 7.27 -1.26 -4.47 117.38 119.96 1ddb n GLN 79 Ca 0.00 0.00 0.38 0.00 0.07 0.00 0.00 57.00 57.45 1ddb n GLN 79 Cb 0.00 0.00 0.68 0.00 2.41 0.00 0.00 30.24 33.33 1ddb n GLN 79 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1ddb h GLU 80 N 0.00 0.00 -5.95 3.69 4.11 -2.01 -3.42 114.58 111.01 1ddb h GLU 80 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 1ddb h GLU 80 Cb 0.00 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.35 1ddb h GLU 80 CO 0.00 0.00 -0.45 0.39 0.07 0.00 0.00 179.01 179.02 1ddb n GLU 81 N -3.74 0.00 -0.04 1.06 -0.58 -1.26 -4.87 120.64 111.21 1ddb n GLU 81 Ca 0.30 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 57.08 1ddb n GLU 81 Cb 1.56 -1.05 -0.16 0.00 -0.57 0.00 0.00 31.44 31.21 1ddb n GLU 81 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1ddb n ILE 82 N 0.19 0.42 0.07 -3.67 -6.64 -1.26 -4.19 119.36 104.28 1ddb n ILE 82 Ca 0.18 -0.60 -0.12 0.00 -1.77 0.00 0.00 62.75 60.44 1ddb n ILE 82 Cb 0.23 -0.14 -0.05 0.00 -1.44 0.00 0.00 39.64 38.24 1ddb n ILE 82 CO 0.00 0.00 0.00 0.16 -1.77 0.00 0.00 176.55 174.94 1ddb h ILE 83 N 0.00 0.36 -0.09 7.28 3.07 -1.92 0.79 117.51 127.01 1ddb h ILE 83 Ca -0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1ddb h ILE 83 Cb 1.36 0.36 -0.00 0.00 -0.27 0.00 0.00 36.82 38.27 1ddb h ILE 83 CO 0.01 0.00 0.06 0.45 -1.05 0.00 0.00 178.15 177.62 1ddb h HIS 84 N -0.45 0.11 -0.46 0.16 3.86 -1.95 -1.47 115.15 114.95 1ddb h HIS 84 Ca 0.06 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1ddb h HIS 84 Cb 0.53 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.91 1ddb h HIS 84 CO -0.31 0.07 0.16 -0.97 0.86 0.00 0.00 177.93 177.74 1ddb h ASN 85 N 0.12 0.16 -0.56 2.45 -1.24 -1.04 -0.09 115.58 115.38 1ddb h ASN 85 Ca 0.03 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1ddb h ASN 85 Cb -0.01 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1ddb h ASN 85 CO -0.01 0.12 0.20 0.16 -1.29 0.00 0.00 177.43 176.62 1ddb h ILE 86 N 0.33 1.22 -0.51 2.57 -0.00 -0.46 -1.74 117.51 118.92 1ddb h ILE 86 Ca 0.22 -0.75 0.10 0.00 -0.00 0.00 0.00 64.86 64.43 1ddb h ILE 86 Cb 0.23 0.55 -0.08 0.00 -0.00 0.00 0.00 36.82 37.52 1ddb h ILE 86 CO -0.23 0.29 0.03 0.00 -0.00 0.00 0.00 178.15 178.24 1ddb h ALA 87 N 1.35 0.51 -0.46 0.16 0.00 -0.69 0.34 119.26 120.47 1ddb h ALA 87 Ca 0.20 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1ddb h ALA 87 Cb 0.23 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ddb h ALA 87 CO -0.01 -0.37 0.06 0.00 0.00 0.00 0.00 179.25 178.93 1ddb h ARG 88 N 0.15 0.77 0.00 0.00 3.08 -0.86 -1.51 114.38 116.02 1ddb h ARG 88 Ca 0.26 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ddb h ARG 88 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1ddb h ARG 88 CO -0.40 0.80 0.00 1.58 -1.07 0.00 0.00 179.97 180.88 1ddb n HIS 89 N -4.43 0.53 0.26 3.04 -0.00 -0.30 -2.34 115.22 111.98 1ddb n HIS 89 Ca 0.00 0.27 -0.10 0.00 0.46 0.00 0.00 57.72 58.35 1ddb n HIS 89 Cb 0.26 -0.93 -0.05 0.00 -0.12 0.00 0.00 29.99 29.15 1ddb n HIS 89 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1ddb h LEU 90 N 0.00 -0.58 0.28 0.27 5.85 0.10 0.11 115.31 121.35 1ddb h LEU 90 Ca 0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ddb h LEU 90 Cb 0.02 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1ddb h LEU 90 CO 0.00 -0.36 -0.23 0.00 -0.34 0.00 0.00 178.44 177.51 1ddb h ALA 91 N -1.58 -0.51 -1.06 1.25 0.00 -1.57 -0.61 119.26 115.19 1ddb h ALA 91 Ca -0.07 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.04 1ddb h ALA 91 Cb 0.52 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1ddb h ALA 91 CO 0.11 -0.81 0.67 -0.56 0.00 0.00 0.00 179.25 178.67 1ddb h GLN 92 N -0.52 0.37 -0.06 0.00 -0.00 -1.55 1.51 115.11 114.86 1ddb h GLN 92 Ca -0.02 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.49 1ddb h GLN 92 Cb 0.47 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 1ddb h GLN 92 CO -0.02 0.25 -0.53 0.82 -0.00 0.00 0.00 178.83 179.35 1ddb h ILE 93 N 0.39 1.37 0.25 1.86 1.08 0.31 -1.93 117.51 120.83 1ddb h ILE 93 Ca 0.63 -1.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1ddb h ILE 93 Cb 1.58 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 37.24 1ddb h ILE 93 CO -0.35 0.53 -0.22 1.23 -0.69 0.00 0.00 178.15 178.66 1ddb h GLY 94 N 1.46 -0.49 0.90 5.37 0.00 0.36 1.21 103.07 111.87 1ddb h GLY 94 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1ddb h GLY 94 CO 0.08 -0.21 0.07 -1.80 0.00 0.00 0.00 176.54 174.68 1ddb h ASP 95 N -0.48 0.47 -0.33 0.19 3.58 -1.41 -1.75 116.42 116.68 1ddb h ASP 95 Ca -0.01 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.23 1ddb h ASP 95 Cb 0.44 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1ddb h ASP 95 CO -0.03 0.58 0.15 -0.08 -2.88 0.00 0.00 179.24 176.99 1ddb h GLU 96 N 0.34 0.31 -0.70 0.28 4.81 -1.10 -1.69 114.58 116.83 1ddb h GLU 96 Ca 0.10 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1ddb h GLU 96 Cb 0.30 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1ddb h GLU 96 CO 0.00 0.21 0.46 1.98 -0.73 0.00 0.00 179.01 180.93 1ddb h MET 97 N 0.32 0.72 -1.84 1.92 4.05 0.17 -1.54 114.93 118.73 1ddb h MET 97 Ca 0.14 -0.04 0.54 0.00 -0.28 0.00 0.00 59.70 60.05 1ddb h MET 97 Cb 0.06 -0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 30.62 1ddb h MET 97 CO -0.11 0.47 1.31 -3.47 0.23 0.00 0.00 176.91 175.35 1ddb n ASP 98 N -4.48 0.01 -0.03 1.39 2.03 -0.64 -1.07 116.55 113.77 1ddb n ASP 98 Ca 0.10 0.97 -0.01 0.00 0.52 0.00 0.00 54.79 56.37 1ddb n ASP 98 Cb 0.21 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 40.12 1ddb n ASP 98 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ddb n HIS 99 N -3.87 -0.03 -3.35 -0.67 -0.00 -0.58 -4.08 115.22 102.64 1ddb n HIS 99 Ca 0.42 0.09 -0.20 0.00 0.46 0.00 0.00 57.72 58.49 1ddb n HIS 99 Cb 1.88 -0.43 -0.08 0.00 -0.12 0.00 0.00 29.99 31.24 1ddb n HIS 99 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1ddb s ASN 100 N -3.22 1.38 -1.13 0.26 0.01 -0.23 -5.05 114.94 106.96 1ddb s ASN 100 Ca -0.01 -1.94 -0.08 0.00 -0.71 0.00 0.00 52.86 50.12 1ddb s ASN 100 Cb 0.01 0.32 0.27 0.00 0.41 0.00 0.00 41.25 42.25 1ddb s ASN 100 CO 0.05 -0.24 1.31 -0.38 -1.51 0.00 0.00 177.10 176.33 1ddb n ILE 101 N 3.90 4.75 0.00 0.60 5.41 -1.22 -4.35 119.36 128.45 1ddb n ILE 101 Ca 0.15 -5.40 0.00 0.00 1.00 0.00 0.00 62.75 58.49 1ddb n ILE 101 Cb 0.45 -2.41 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 1ddb n ILE 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ddb n GLN 102 N 2.72 0.00 0.24 0.38 6.02 -1.26 -3.59 117.38 121.89 1ddb n GLN 102 Ca 0.27 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.41 1ddb n GLN 102 Cb 0.38 0.00 0.43 0.00 1.02 0.00 0.00 30.24 32.07 1ddb n GLN 102 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ddb h PRO 103 N 0.00 0.00 0.00 -1.09 0.13 -1.99 -3.35 132.00 125.70 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 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1ddb n THR 104 N -3.06 0.00 0.00 1.56 -2.24 -1.26 -4.98 114.28 104.30 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 0.41 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1ddb n THR 104 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ddb n LEU 105 N 0.00 0.00 0.23 3.22 4.32 -1.26 -5.03 117.00 118.49 1ddb n LEU 105 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1ddb n LEU 105 Cb 0.45 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.17 1ddb n LEU 105 CO 0.00 0.00 0.51 0.58 -1.22 0.00 0.00 177.39 177.26 1ddb h VAL 106 N 0.00 0.46 0.00 4.08 2.07 -1.85 -2.72 116.25 118.29 1ddb h VAL 106 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ddb h VAL 106 Cb 0.00 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1ddb h VAL 106 CO 0.00 0.07 0.00 -1.14 0.02 0.00 0.00 177.57 176.52 1ddb n ARG 107 N -5.24 0.20 0.20 1.57 0.63 -1.24 -2.90 116.66 109.89 1ddb n ARG 107 Ca -0.10 0.44 -0.08 0.00 -0.92 0.00 0.00 57.85 57.18 1ddb n ARG 107 Cb 0.30 -1.89 -0.04 0.00 0.45 0.00 0.00 32.46 31.28 1ddb n ARG 107 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1ddb h GLN 108 N 0.00 -0.50 0.52 -0.14 -0.00 -1.75 0.95 115.11 114.19 1ddb h GLN 108 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.67 1ddb h GLN 108 Cb 0.36 0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.94 1ddb h GLN 108 CO 0.00 -0.33 -0.45 1.37 0.00 0.00 0.00 178.83 179.41 1ddb h LEU 109 N -0.59 -1.21 -0.27 -2.39 8.10 -1.52 1.22 115.31 118.64 1ddb h LEU 109 Ca -0.05 0.09 0.06 0.00 0.11 0.00 0.00 57.88 58.09 1ddb h LEU 109 Cb 0.40 0.39 -0.08 0.00 -0.44 0.00 0.00 40.66 40.93 1ddb h LEU 109 CO 0.09 -0.63 -0.30 0.00 -4.11 0.00 0.00 178.44 173.49 1ddb h ALA 110 N -0.72 -0.22 0.00 0.17 0.00 -1.62 0.96 119.26 117.82 1ddb h ALA 110 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ddb h ALA 110 Cb 0.83 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ddb h ALA 110 CO -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.50 1ddb h ALA 111 N 0.67 1.00 -0.07 0.00 0.00 0.13 -2.26 119.26 118.74 1ddb h ALA 111 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ddb h ALA 111 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ddb h ALA 111 CO -0.44 0.00 0.04 -0.56 0.00 0.00 0.00 179.25 178.29 1ddb h GLN 112 N 0.00 0.09 -0.29 0.00 3.07 0.95 -2.79 115.11 116.14 1ddb h GLN 112 Ca 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.61 1ddb h GLN 112 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 1ddb h GLN 112 CO 0.00 0.13 -0.31 0.27 0.09 0.00 0.00 178.83 179.01 1ddb h PHE 113 N 0.03 0.71 -0.03 0.06 -5.15 -1.00 -2.74 116.94 108.82 1ddb h PHE 113 Ca 0.02 -0.18 0.01 0.00 -0.20 0.00 0.00 57.97 57.62 1ddb h PHE 113 Cb 0.06 -0.16 -0.00 0.00 0.22 0.00 0.00 35.95 36.07 1ddb h PHE 113 CO -0.05 0.85 0.60 0.00 -2.00 0.00 0.00 178.31 177.71 1ddb h MET 114 N 0.52 0.00 -1.92 6.09 -0.00 -1.29 0.73 114.93 119.06 1ddb h MET 114 Ca 0.06 0.00 -0.50 0.00 -0.00 0.00 0.00 59.70 59.26 1ddb h MET 114 Cb 0.80 0.00 -0.41 0.00 -0.00 0.00 0.00 31.60 31.99 1ddb h MET 114 CO 0.07 0.00 -1.01 -1.71 -0.00 0.00 0.00 176.91 174.26 1ddb n ASN 115 N -2.77 2.22 0.00 -0.10 5.15 -1.03 -4.50 115.26 114.24 1ddb n ASN 115 Ca -0.01 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.76 1ddb n ASN 115 Cb 0.64 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddb n GLY 116 N 0.03 -2.25 0.94 8.20 0.00 0.25 -5.01 105.19 107.35 1ddb n GLY 116 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.00 0.00 1.61 2.88 -1.26 -4.99 113.62 111.86 1ddb n SER 117 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 117 Cb 0.00 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1ddb n SER 117 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ddb n LEU 118 N -1.97 0.00 -4.12 2.46 -0.00 -1.26 -4.83 117.00 107.28 1ddb n LEU 118 Ca 0.00 0.67 -0.11 0.00 -0.00 0.00 0.00 56.01 56.56 1ddb n LEU 118 Cb 0.00 -0.17 -0.08 0.00 -0.00 0.00 0.00 43.42 43.17 1ddb n LEU 118 CO 0.00 -0.17 -0.06 -0.55 -0.00 0.00 0.00 177.39 176.61 1ddb s SER 119 N -2.99 0.15 0.41 1.96 0.15 -1.26 -4.98 113.70 107.15 1ddb s SER 119 Ca 0.00 -1.23 0.01 0.00 0.70 0.00 0.00 55.95 55.42 1ddb s SER 119 Cb 0.00 0.48 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 1ddb s SER 119 CO 0.00 -0.98 0.84 -0.33 1.20 0.00 0.00 173.24 173.97 1ddb h GLU 120 N 2.44 0.00 0.00 5.44 5.08 -1.90 -3.28 114.58 122.36 1ddb h GLU 120 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1ddb h GLU 120 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ddb h GLU 120 CO 0.45 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.61 1ddb n GLU 121 N -1.95 0.00 -2.14 2.33 0.28 -1.26 -4.67 120.64 113.23 1ddb n GLU 121 Ca -0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 1ddb n GLU 121 Cb 0.79 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.68 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ddb n ASP 122 N 0.00 4.77 0.00 -1.84 9.92 -1.24 -4.58 116.55 123.58 1ddb n ASP 122 Ca 0.00 -3.69 0.00 0.00 -0.53 0.00 0.00 54.79 50.57 1ddb n ASP 122 Cb 0.00 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1ddb n ASP 122 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1ddb n LYS 123 N -0.66 3.27 0.00 -1.24 2.85 -1.26 -4.81 118.16 116.32 1ddb n LYS 123 Ca 0.42 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.68 1ddb n LYS 123 Cb 0.90 -0.93 0.00 0.00 -0.65 0.00 0.00 35.03 34.36 1ddb n LYS 123 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ddb n ARG 124 N -1.80 0.00 0.12 -1.58 5.12 -1.26 -4.30 116.66 112.96 1ddb n ARG 124 Ca 0.00 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.10 1ddb n ARG 124 Cb 0.43 0.00 0.75 0.00 -1.16 0.00 0.00 32.46 32.48 1ddb n ARG 124 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 1ddb h ASN 125 N 0.00 0.00 -0.43 0.55 7.08 -1.98 -1.52 115.58 119.28 1ddb h ASN 125 Ca 0.00 0.00 0.07 0.00 -3.08 0.00 0.00 56.30 53.29 1ddb h ASN 125 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 36.15 1ddb h ASN 125 CO 0.00 0.00 -0.44 0.00 -2.08 0.00 0.00 177.43 174.91 1ddb h LEU 127 N -0.31 -1.09 -2.15 0.00 -0.00 -1.58 0.75 115.31 110.93 1ddb h LEU 127 Ca 0.14 0.11 0.06 0.00 -0.00 0.00 0.00 57.88 58.18 1ddb h LEU 127 Cb 0.58 0.38 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1ddb h LEU 127 CO -0.59 -0.50 0.18 0.00 -0.00 0.00 0.00 178.44 177.52 1ddb h ALA 128 N -0.26 1.98 -0.38 1.53 0.00 -1.15 0.24 119.26 121.22 1ddb h ALA 128 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ddb h ALA 128 Cb 0.68 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ddb h ALA 128 CO -0.13 -0.28 0.26 -0.22 0.00 0.00 0.00 179.25 178.87 1ddb h LYS 129 N 0.00 0.40 -0.25 0.00 3.64 0.94 -0.46 116.57 120.83 1ddb h LYS 129 Ca 0.09 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1ddb h LYS 129 Cb 0.44 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ddb h LYS 129 CO -0.00 0.26 -0.58 0.00 -2.27 0.00 0.00 179.45 176.87 1ddb h ALA 130 N 1.78 0.50 -0.57 5.00 0.00 -0.09 -0.30 119.26 125.58 1ddb h ALA 130 Ca 0.16 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ddb h ALA 130 Cb 0.12 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1ddb h ALA 130 CO -0.04 0.69 -0.22 1.37 0.00 0.00 0.00 179.25 181.05 1ddb h LEU 131 N 0.61 -0.77 0.05 0.00 8.10 -0.97 14.15 115.31 136.48 1ddb h LEU 131 Ca 0.01 0.19 -0.00 0.00 0.11 0.00 0.00 57.88 58.19 1ddb h LEU 131 Cb 1.17 0.44 0.00 0.00 -0.44 0.00 0.00 40.66 41.83 1ddb h LEU 131 CO 0.12 -0.25 -0.02 0.44 -4.11 0.00 0.00 178.44 174.62 1ddb h ASP 132 N -0.08 -0.06 0.43 0.17 3.32 -1.48 -2.00 116.42 116.72 1ddb h ASP 132 Ca 0.26 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1ddb h ASP 132 Cb 0.49 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1ddb h ASP 132 CO -0.63 0.53 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.89 1ddb h GLU 133 N -0.68 -0.55 -0.22 3.56 4.39 -0.15 -2.29 114.58 118.64 1ddb h GLU 133 Ca -0.01 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.79 1ddb h GLU 133 Cb 0.59 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1ddb h GLU 133 CO 0.01 -0.37 0.59 -0.24 -1.16 0.00 0.00 179.01 177.84 1ddb h VAL 134 N -1.01 0.09 -0.01 3.13 3.04 3.18 0.77 116.25 125.45 1ddb h VAL 134 Ca -0.06 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.55 1ddb h VAL 134 Cb 0.44 0.46 0.01 0.00 -2.01 0.00 0.00 31.29 30.19 1ddb h VAL 134 CO 0.10 0.00 -0.31 0.50 -1.01 0.00 0.00 177.57 176.85 1ddb h LYS 135 N 0.00 0.22 -0.73 4.17 3.64 -0.76 -2.75 116.57 120.36 1ddb h LYS 135 Ca 0.10 -0.23 0.21 0.00 -1.27 0.00 0.00 60.65 59.47 1ddb h LYS 135 Cb 1.27 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1ddb h LYS 135 CO -0.00 0.94 0.99 1.79 -2.27 0.00 0.00 179.45 180.90 1ddb h THR 136 N -0.41 0.07 0.02 1.00 1.35 0.12 2.66 112.91 117.72 1ddb h THR 136 Ca -0.04 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.56 1ddb h THR 136 Cb 1.05 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 1ddb h THR 136 CO 0.06 0.00 -1.43 0.00 -0.25 0.00 0.00 175.52 173.90 1ddb n ALA 137 N -2.15 0.81 -2.60 6.62 0.00 -1.18 -4.48 120.51 117.53 1ddb n ALA 137 Ca 0.16 -0.52 -0.28 0.00 0.00 0.00 0.00 53.44 52.80 1ddb n ALA 137 Cb 1.22 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 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 -4.24 3.58 -2.42 0.00 -1.74 0.28 -5.04 117.46 107.88 1ddb n PHE 138 Ca -0.33 -3.33 -0.43 0.00 -0.56 0.00 0.00 57.45 52.81 1ddb n PHE 138 Cb 0.76 -0.31 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1ddb s PRO 139 N -3.58 4.25 0.00 3.97 0.04 0.82 -3.44 135.00 137.06 1ddb s PRO 139 Ca 0.48 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1ddb s PRO 139 Cb 0.36 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1ddb s PRO 139 CO -0.19 -0.66 0.00 -2.13 0.04 0.00 0.00 177.00 174.06 1ddb n ARG 140 N 6.36 0.00 0.00 4.56 3.00 -1.26 -4.87 116.66 124.45 1ddb n ARG 140 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1ddb n ARG 140 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 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 0.00 0.00 -0.24 6.15 8.00 -1.26 -3.90 116.55 125.30 1ddb n ASP 141 Ca 0.00 0.00 0.32 0.00 0.71 0.00 0.00 54.79 55.82 1ddb n ASP 141 Cb 0.00 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 41.75 1ddb n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddb h MET 142 N 0.00 0.00 0.00 -1.24 -0.00 -1.95 3.12 114.93 114.86 1ddb h MET 142 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1ddb h MET 142 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1ddb h MET 142 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.91 175.00 1ddb n GLU 143 N -3.67 0.00 0.04 -0.10 2.13 -1.26 -3.12 120.64 114.66 1ddb n GLU 143 Ca 0.23 0.26 -0.19 0.00 0.66 0.00 0.00 57.16 58.12 1ddb n GLU 143 Cb 1.32 -1.14 -0.14 0.00 0.27 0.00 0.00 31.44 31.74 1ddb n GLU 143 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1ddb h ASN 144 N 0.00 0.43 -0.83 4.31 -0.26 -1.59 -3.30 115.58 114.33 1ddb h ASN 144 Ca 0.00 -0.95 0.24 0.00 -0.56 0.00 0.00 56.30 55.03 1ddb h ASN 144 Cb 0.00 -0.14 -0.16 0.00 -1.06 0.00 0.00 38.32 36.97 1ddb h ASN 144 CO 0.00 1.34 0.05 -0.67 -1.06 0.00 0.00 177.43 177.10 1ddb n ASP 145 N -4.18 -0.07 -0.24 5.81 2.03 1.03 0.50 116.55 121.44 1ddb n ASP 145 Ca -0.13 1.42 0.24 0.00 0.52 0.00 0.00 54.79 56.83 1ddb n ASP 145 Cb 0.78 -0.53 0.60 0.00 -0.72 0.00 0.00 41.12 41.25 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ddb h LYS 146 N 0.00 0.23 0.60 -0.67 3.64 -1.55 0.26 116.57 119.08 1ddb h LYS 146 Ca 0.52 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 1ddb h LYS 146 Cb 1.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1ddb h LYS 146 CO -0.77 0.15 -0.39 0.00 -2.27 0.00 0.00 179.45 176.17 1ddb h ALA 147 N 1.58 -0.98 -0.55 5.00 0.00 1.15 0.45 119.26 125.90 1ddb h ALA 147 Ca 0.49 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1ddb h ALA 147 Cb 1.49 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.71 1ddb h ALA 147 CO -0.13 -1.07 0.16 0.00 0.00 0.00 0.00 179.25 178.20 1ddb h MET 148 N -0.95 0.30 -0.78 0.00 -0.00 -0.93 -0.43 114.93 112.13 1ddb h MET 148 Ca -0.07 -0.02 0.01 0.00 -0.00 0.00 0.00 59.70 59.62 1ddb h MET 148 Cb 0.78 -0.07 -0.04 0.00 -0.00 0.00 0.00 31.60 32.27 1ddb h MET 148 CO 0.06 0.20 0.52 1.25 -0.00 0.00 0.00 176.91 178.93 1ddb h LEU 149 N 0.31 0.89 -1.93 -0.10 5.85 -1.00 -0.24 115.31 119.09 1ddb h LEU 149 Ca 0.28 -0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.26 1ddb h LEU 149 Cb 0.37 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1ddb h LEU 149 CO -0.33 0.64 0.69 0.40 -0.34 0.00 0.00 178.44 179.50 1ddb h ILE 150 N 1.05 0.53 -0.12 4.05 2.04 0.16 0.22 117.51 125.44 1ddb h ILE 150 Ca 0.29 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1ddb h ILE 150 Cb -0.10 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1ddb h ILE 150 CO -0.07 0.01 0.04 0.24 0.00 0.00 0.00 178.15 178.37 1ddb h MET 151 N 0.05 0.19 -0.65 2.37 2.86 -0.69 -1.08 114.93 117.97 1ddb h MET 151 Ca 0.47 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.20 1ddb h MET 151 Cb 1.79 -0.03 -0.12 0.00 0.06 0.00 0.00 31.60 33.30 1ddb h MET 151 CO -0.03 0.32 -0.18 0.00 1.06 0.00 0.00 176.91 178.07 1ddb h THR 152 N 0.02 0.32 0.00 2.22 1.03 -0.55 0.90 112.91 116.85 1ddb h THR 152 Ca 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.43 1ddb h THR 152 Cb 0.21 0.32 -0.00 0.00 -1.07 0.00 0.00 68.15 67.60 1ddb h THR 152 CO -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 175.52 175.46 1ddb h MET 153 N -0.02 0.00 0.82 0.00 3.00 -1.43 -3.08 114.93 114.23 1ddb h MET 153 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 59.70 59.97 1ddb h MET 153 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 31.60 32.10 1ddb h MET 153 CO -0.68 0.05 -0.41 1.25 0.00 0.00 0.00 176.91 177.12 1ddb h LEU 154 N 0.00 -0.98 0.23 -0.10 7.12 0.22 1.86 115.31 123.66 1ddb h LEU 154 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1ddb h LEU 154 Cb 0.62 0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.97 1ddb h LEU 154 CO 0.01 -0.68 -0.49 -0.07 -0.13 0.00 0.00 178.44 177.07 1ddb h LEU 155 N -1.12 -1.45 -0.68 2.25 -0.00 -1.38 0.79 115.31 113.72 1ddb h LEU 155 Ca -0.11 0.14 0.10 0.00 -0.00 0.00 0.00 57.88 58.01 1ddb h LEU 155 Cb 0.87 0.52 -0.07 0.00 -0.00 0.00 0.00 40.66 41.97 1ddb h LEU 155 CO 0.18 -0.56 0.31 0.00 -0.00 0.00 0.00 178.44 178.36 1ddb h ALA 156 N -0.72 0.92 -0.24 1.53 0.00 -1.52 5.12 119.26 124.35 1ddb h ALA 156 Ca -0.02 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ddb h ALA 156 Cb 0.75 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1ddb h ALA 156 CO -0.20 -0.11 -0.52 -0.22 0.00 0.00 0.00 179.25 178.20 1ddb h LYS 157 N 0.52 -0.47 0.05 0.00 1.63 0.39 1.92 116.57 120.60 1ddb h LYS 157 Ca 0.34 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1ddb h LYS 157 Cb 0.40 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1ddb h LYS 157 CO -0.29 -0.31 -0.02 1.57 -3.45 0.00 0.00 179.45 176.94 1ddb h LYS 158 N -0.49 -0.06 -0.86 1.90 5.09 -0.09 -3.34 116.57 118.72 1ddb h LYS 158 Ca 0.06 0.00 0.16 0.00 0.09 0.00 0.00 60.65 60.97 1ddb h LYS 158 Cb 0.64 0.01 -0.16 0.00 0.10 0.00 0.00 32.23 32.83 1ddb h LYS 158 CO -0.49 0.28 -0.27 0.28 -2.09 0.00 0.00 179.45 177.15 1ddb h VAL 159 N -0.99 0.10 -0.59 0.07 2.07 1.03 14.66 116.25 132.59 1ddb h VAL 159 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1ddb h VAL 159 Cb 0.37 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.12 1ddb h VAL 159 CO 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.47 1ddb n ALA 160 N -3.41 0.16 0.04 1.67 0.00 0.65 0.20 120.51 119.82 1ddb n ALA 160 Ca 0.11 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1ddb n ALA 160 Cb 0.42 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 -4.94 0.07 -0.02 0.00 7.64 0.15 -4.42 113.62 112.10 1ddb n SER 161 Ca 0.10 -0.52 -0.21 0.00 1.01 0.00 0.00 58.87 59.25 1ddb n SER 161 Cb 0.32 1.00 -0.13 0.00 -1.01 0.00 0.00 64.21 64.38 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 0.32 -2.21 1.43 6.17 3.58 -3.40 115.15 121.04 1ddb h HIS 162 Ca 0.00 -0.23 -0.60 0.00 0.71 0.00 0.00 60.37 60.25 1ddb h HIS 162 Cb 0.02 -0.01 -0.42 0.00 2.52 0.00 0.00 27.41 29.52 1ddb h HIS 162 CO 0.00 1.55 -0.59 0.00 0.71 0.00 0.00 177.93 179.60 1ddb n ALA 163 N -3.07 4.20 -0.58 5.26 0.00 0.53 -4.84 120.51 122.00 1ddb n ALA 163 Ca -0.27 -4.77 -0.05 0.00 0.00 0.00 0.00 53.44 48.35 1ddb n ALA 163 Cb 0.85 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 1ddb n ALA 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ddb n PRO 164 N 0.65 1.17 0.00 0.00 -0.04 -1.15 -3.19 135.00 132.43 1ddb n PRO 164 Ca 0.30 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ddb n PRO 164 Cb 0.41 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1ddb n PRO 164 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ddb n SER 165 N 2.18 1.48 -3.06 3.54 7.64 -1.26 -4.79 113.62 119.35 1ddb n SER 165 Ca 0.18 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.70 1ddb n SER 165 Cb 0.55 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.77 1ddb n SER 165 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 166 N -2.76 6.64 -0.26 -3.43 4.77 -1.19 -4.82 117.00 115.94 1ddb n LEU 166 Ca 0.00 -5.17 -0.06 0.00 -0.03 0.00 0.00 56.01 50.75 1ddb n LEU 166 Cb 0.47 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1ddb n LEU 166 CO 0.00 2.00 0.58 0.17 -1.33 0.00 0.00 177.39 178.82 1ddb h LEU 167 N 3.29 -1.44 -0.87 2.23 -0.00 -1.87 0.88 115.31 117.53 1ddb h LEU 167 Ca 0.46 0.26 0.11 0.00 -0.00 0.00 0.00 57.88 58.71 1ddb h LEU 167 Cb 0.32 0.69 -0.08 0.00 -0.00 0.00 0.00 40.66 41.59 1ddb h LEU 167 CO 1.19 -0.31 0.51 0.08 -0.00 0.00 0.00 178.44 179.91 1ddb h ARG 168 N -0.14 0.79 -0.66 0.17 0.11 -1.87 0.70 114.38 113.48 1ddb h ARG 168 Ca 0.23 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 60.22 1ddb h ARG 168 Cb 0.56 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 1ddb h ARG 168 CO -0.78 0.52 0.22 0.22 0.10 0.00 0.00 179.97 180.25 1ddb h ASP 169 N 0.82 0.94 -0.52 0.08 1.82 0.01 -2.39 116.42 117.18 1ddb h ASP 169 Ca 0.43 -0.16 0.10 0.00 -0.39 0.00 0.00 57.03 57.01 1ddb h ASP 169 Cb 0.44 -0.24 -0.11 0.00 0.68 0.00 0.00 39.33 40.10 1ddb h ASP 169 CO -0.27 0.87 -0.32 1.62 -1.61 0.00 0.00 179.24 179.53 1ddb h VAL 170 N 0.98 0.21 -0.67 2.25 3.04 0.28 0.84 116.25 123.18 1ddb h VAL 170 Ca 0.22 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.89 1ddb h VAL 170 Cb 0.26 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 29.72 1ddb h VAL 170 CO -0.01 0.00 0.36 -0.26 -1.01 0.00 0.00 177.57 176.65 1ddb h PHE 171 N -0.19 0.93 -0.11 3.17 -1.00 -1.29 -1.58 116.94 116.86 1ddb h PHE 171 Ca 0.21 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 1ddb h PHE 171 Cb 0.54 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1ddb h PHE 171 CO -0.59 0.67 0.02 1.25 -1.61 0.00 0.00 178.31 178.05 1ddb h HIS 172 N 0.92 0.15 -0.03 -0.55 2.76 -0.31 -1.13 115.15 116.97 1ddb h HIS 172 Ca 0.23 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1ddb h HIS 172 Cb 0.06 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1ddb h HIS 172 CO -0.00 0.15 0.01 1.15 -1.30 0.00 0.00 177.93 177.93 1ddb h THR 173 N 0.15 1.20 0.68 6.26 2.02 0.16 0.58 112.91 123.96 1ddb h THR 173 Ca 0.04 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1ddb h THR 173 Cb 0.08 1.56 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1ddb h THR 173 CO -0.00 0.16 -0.32 0.00 0.37 0.00 0.00 175.52 175.73 1ddb h THR 174 N -0.20 0.00 0.00 3.16 1.03 -0.98 -2.00 112.91 113.92 1ddb h THR 174 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1ddb h THR 174 Cb 0.26 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.34 1ddb h THR 174 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 175.52 176.03 1ddb n VAL 175 N -4.57 0.00 0.08 0.00 0.31 -0.48 -3.04 118.33 110.63 1ddb n VAL 175 Ca -0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 1ddb n VAL 175 Cb 0.36 -0.43 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 1ddb n VAL 175 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1ddb h ASN 176 N 0.00 -0.24 -0.12 4.52 -1.24 0.96 -0.33 115.58 119.13 1ddb h ASN 176 Ca 0.00 -0.22 0.05 0.00 0.71 0.00 0.00 56.30 56.84 1ddb h ASN 176 Cb 0.00 0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.05 1ddb h ASN 176 CO 0.00 0.29 -0.35 -0.26 -1.29 0.00 0.00 177.43 175.82 1ddb h PHE 177 N -0.98 -0.97 -0.67 0.67 -1.00 -1.51 0.93 116.94 113.41 1ddb h PHE 177 Ca -0.03 0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.81 1ddb h PHE 177 Cb 0.44 0.44 -0.04 0.00 3.61 0.00 0.00 35.95 40.41 1ddb h PHE 177 CO 0.05 -0.42 0.44 0.82 -1.61 0.00 0.00 178.31 177.59 1ddb h ILE 178 N -0.43 1.14 -0.80 -0.55 5.03 -1.71 2.45 117.51 122.65 1ddb h ILE 178 Ca 0.09 -0.30 0.02 0.00 -0.12 0.00 0.00 64.86 64.55 1ddb h ILE 178 Cb 0.57 0.19 -0.04 0.00 -3.03 0.00 0.00 36.82 34.50 1ddb h ILE 178 CO -0.36 0.16 0.53 -1.13 -0.68 0.00 0.00 178.15 176.67 1ddb h ASN 179 N 0.88 0.89 0.01 1.72 -0.73 0.17 0.20 115.58 118.71 1ddb h ASN 179 Ca 0.26 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.41 1ddb h ASN 179 Cb -0.06 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.32 1ddb h ASN 179 CO -0.07 0.63 -0.07 0.00 -0.37 0.00 0.00 177.43 177.55 1ddb n GLN 180 N -4.43 1.79 0.00 6.67 1.13 0.31 -4.71 117.38 118.14 1ddb n GLN 180 Ca 0.09 -1.29 0.00 0.00 -1.94 0.00 0.00 57.00 53.86 1ddb n GLN 180 Cb 0.06 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.94 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ddb n ASN 181 N 0.52 0.00 -2.27 1.08 4.05 0.81 -4.94 115.26 114.52 1ddb n ASN 181 Ca 0.15 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.91 1ddb n ASN 181 Cb 0.46 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.51 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ddb n LEU 182 N 0.00 7.06 -0.40 1.20 4.77 -1.25 -4.95 117.00 123.42 1ddb n LEU 182 Ca 0.00 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.02 1ddb n LEU 182 Cb 0.00 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1ddb n LEU 182 CO 0.00 1.46 -0.00 0.33 -1.33 0.00 0.00 177.39 177.84 1ddb n PHE 183 N -0.14 0.00 -0.35 -1.77 7.35 -1.02 -4.58 117.46 116.94 1ddb n PHE 183 Ca 0.48 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1ddb n PHE 183 Cb 0.56 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.27 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 1.20 -0.47 -3.81 -2.13 7.64 -1.26 -4.98 113.62 109.82 1ddb n SER 184 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1ddb n SER 184 Cb 0.00 -0.24 0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n TYR 185 N 0.07 -4.90 -0.40 1.43 9.36 -1.26 -4.17 117.16 117.29 1ddb n TYR 185 Ca 0.00 -0.02 0.37 0.00 3.32 0.00 0.00 57.90 61.57 1ddb n TYR 185 Cb 0.00 -1.36 0.73 0.00 -0.63 0.00 0.00 39.34 38.08 1ddb n TYR 185 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ddb h VAL 186 N -0.95 0.32 -0.08 2.97 2.07 -1.95 0.34 116.25 118.98 1ddb h VAL 186 Ca -0.42 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1ddb h VAL 186 Cb 1.24 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1ddb h VAL 186 CO 0.22 0.01 -0.25 0.03 0.02 0.00 0.00 177.57 177.60 1ddb h ARG 187 N 0.05 -0.33 -0.61 1.57 2.47 -1.98 0.37 114.38 115.92 1ddb h ARG 187 Ca 0.66 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.39 1ddb h ARG 187 Cb 2.48 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 30.85 1ddb h ARG 187 CO -0.08 -0.22 0.34 -0.97 0.56 0.00 0.00 179.97 179.60 1ddb h ASN 188 N -0.34 0.77 -0.52 7.04 -1.24 -0.55 -2.03 115.58 118.71 1ddb h ASN 188 Ca 0.08 -0.09 0.08 0.00 0.71 0.00 0.00 56.30 57.08 1ddb h ASN 188 Cb 0.46 -0.20 -0.07 0.00 0.73 0.00 0.00 38.32 39.25 1ddb h ASN 188 CO -0.27 0.64 0.14 -0.07 -1.29 0.00 0.00 177.43 176.58 1ddb h LEU 189 N 0.83 0.09 -0.60 0.34 -0.00 -0.78 0.24 115.31 115.43 1ddb h LEU 189 Ca 0.22 0.08 0.06 0.00 -0.00 0.00 0.00 57.88 58.24 1ddb h LEU 189 Cb 0.04 0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 40.74 1ddb h LEU 189 CO -0.03 0.07 0.30 0.58 -0.00 0.00 0.00 178.44 179.36 1ddb h VAL 190 N 0.30 0.92 -0.49 1.22 2.07 0.26 0.69 116.25 121.21 1ddb h VAL 190 Ca 0.26 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1ddb h VAL 190 Cb 0.33 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1ddb h VAL 190 CO -0.30 0.10 0.28 -0.09 0.02 0.00 0.00 177.57 177.58 1ddb h ARG 191 N 0.56 0.67 0.01 1.57 9.65 -0.36 -2.78 114.38 123.70 1ddb h ARG 191 Ca 0.28 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1ddb h ARG 191 Cb 0.22 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 1ddb h ARG 191 CO -0.20 0.51 -0.13 -0.97 2.80 0.00 0.00 179.97 181.98 1ddb h ASN 192 N 0.65 -0.36 -3.36 -3.80 -1.24 0.44 -3.41 115.58 104.50 1ddb h ASN 192 Ca 0.17 0.05 -0.51 0.00 0.71 0.00 0.00 56.30 56.73 1ddb h ASN 192 Cb 0.02 0.15 -0.34 0.00 0.73 0.00 0.00 38.32 38.88 1ddb h ASN 192 CO -0.03 -0.18 -0.81 -1.61 -1.29 0.00 0.00 177.43 173.51 1ddb s GLU 193 N -6.15 1.59 -0.01 6.67 0.41 0.14 -5.06 118.70 116.29 1ddb s GLU 193 Ca -0.14 -0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 53.96 1ddb s GLU 193 Cb 0.08 -1.41 -0.06 0.00 -1.78 0.00 0.00 34.13 30.97 1ddb s GLU 193 CO 0.66 -0.06 0.65 0.52 -0.49 0.00 0.00 175.26 176.55 1ddb h MET 194 N 7.30 -0.37 0.00 1.61 2.86 -1.79 -3.37 114.93 121.17 1ddb h MET 194 Ca -0.31 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1ddb h MET 194 Cb 1.17 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1ddb h MET 194 CO 0.46 -0.25 0.00 -0.25 1.06 0.00 0.00 176.91 177.93