#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 6.91 0.00 6.12 1.01 -1.26 -4.85 116.67 124.60 1ddb s ASP 2 Ca 0.00 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.57 1ddb s ASP 2 Cb 0.00 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1ddb s ASP 2 CO 0.00 -0.06 0.00 -1.54 0.21 0.00 0.00 175.17 173.78 1ddb n SER 3 N 0.26 0.00 0.00 0.27 3.41 -1.26 -5.01 113.62 111.29 1ddb n SER 3 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ddb n SER 3 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1ddb n SER 3 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ddb n GLU 4 N 0.00 0.00 0.00 4.33 1.02 -1.26 -4.83 120.64 119.90 1ddb n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ddb n GLU 4 Cb 0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1ddb n GLU 4 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ddb n VAL 5 N -2.44 0.00 -3.17 2.62 0.31 -1.26 -4.65 118.33 109.73 1ddb n VAL 5 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1ddb n VAL 5 Cb 0.47 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.41 1ddb n VAL 5 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ddb n SER 6 N 3.63 -6.96 -3.68 4.52 2.88 -1.26 -5.01 113.62 107.74 1ddb n SER 6 Ca 0.00 0.04 0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1ddb n SER 6 Cb 0.00 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 1ddb n SER 6 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ddb s ASN 7 N -2.49 -0.03 0.00 -3.46 2.47 -1.26 -5.19 114.94 104.98 1ddb s ASN 7 Ca 0.19 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.33 1ddb s ASN 7 Cb -0.04 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.90 1ddb s ASN 7 CO 0.81 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 174.54 1ddb n GLY 8 N -0.63 4.18 0.94 1.21 0.00 -1.26 -5.06 105.19 104.57 1ddb n GLY 8 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1ddb n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ddb n SER 9 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.15 113.62 111.70 1ddb n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 9 Cb 0.00 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1ddb n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 10 N 0.55 3.56 1.39 0.46 0.00 -1.26 -5.05 105.19 104.85 1ddb n GLY 10 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.62 0.00 0.99 7.99 -1.26 -4.99 117.00 118.11 1ddb n LEU 11 Ca 0.00 2.57 0.00 0.00 -0.01 0.00 0.00 56.01 58.57 1ddb n LEU 11 Cb 0.00 -2.63 0.00 0.00 -0.11 0.00 0.00 43.42 40.68 1ddb n LEU 11 CO 0.00 -0.46 0.00 0.61 -1.51 0.00 0.00 177.39 176.03 1ddb n GLY 12 N -2.11 1.40 0.95 -0.72 0.00 -1.26 -5.02 105.19 98.44 1ddb n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb n ALA 13 N 0.00 -1.46 -3.61 4.61 0.00 -1.26 -5.00 120.51 113.79 1ddb n ALA 13 Ca 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 1ddb n ALA 13 Cb 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 1ddb n ALA 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ddb s LYS 14 N -4.79 0.07 0.20 0.00 2.20 -1.26 -5.02 119.74 111.15 1ddb s LYS 14 Ca 0.00 0.35 -0.09 0.00 -0.36 0.00 0.00 55.97 55.87 1ddb s LYS 14 Cb 0.00 -0.80 0.14 0.00 -1.51 0.00 0.00 37.83 35.66 1ddb s LYS 14 CO 0.00 -0.46 1.77 0.45 -0.36 0.00 0.00 175.35 176.75 1ddb h HIS 15 N 8.36 1.13 -0.82 4.03 3.86 -2.01 -2.26 115.15 127.45 1ddb h HIS 15 Ca -0.14 -0.08 0.13 0.00 -1.16 0.00 0.00 60.37 59.11 1ddb h HIS 15 Cb 1.13 -0.34 -0.09 0.00 1.06 0.00 0.00 27.41 29.18 1ddb h HIS 15 CO 0.30 0.86 0.42 0.82 0.86 0.00 0.00 177.93 181.20 1ddb h ILE 16 N 1.08 0.79 -0.60 2.45 1.08 -2.00 -0.03 117.51 120.28 1ddb h ILE 16 Ca 0.25 -0.22 0.10 0.00 -0.39 0.00 0.00 64.86 64.59 1ddb h ILE 16 Cb 0.20 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 33.95 1ddb h ILE 16 CO -0.02 0.12 0.20 0.74 -0.69 0.00 0.00 178.15 178.50 1ddb h THR 17 N 0.65 0.75 -0.95 -0.27 2.02 -1.82 0.72 112.91 114.01 1ddb h THR 17 Ca 0.43 -0.13 0.19 0.00 0.77 0.00 0.00 66.41 67.67 1ddb h THR 17 Cb 0.54 0.34 -0.11 0.00 -1.74 0.00 0.00 68.15 67.18 1ddb h THR 17 CO -0.32 0.07 0.54 0.44 0.37 0.00 0.00 175.52 176.61 1ddb h ASP 18 N 0.37 0.65 0.33 4.18 3.32 -0.92 1.23 116.42 125.58 1ddb h ASP 18 Ca 0.30 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 1ddb h ASP 18 Cb 0.39 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1ddb h ASP 18 CO -0.32 0.21 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.15 1ddb h LEU 19 N 0.67 0.00 -0.59 1.55 -0.00 -0.67 -2.05 115.31 114.22 1ddb h LEU 19 Ca 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.40 1ddb h LEU 19 Cb 0.88 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.52 1ddb h LEU 19 CO -0.40 0.19 0.24 0.25 -0.00 0.00 0.00 178.44 178.71 1ddb h LEU 20 N 0.00 0.81 0.79 1.67 7.12 0.21 1.55 115.31 127.47 1ddb h LEU 20 Ca -0.00 -0.17 -0.04 0.00 0.13 0.00 0.00 57.88 57.80 1ddb h LEU 20 Cb 0.40 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1ddb h LEU 20 CO 0.02 0.75 -0.38 1.62 -0.13 0.00 0.00 178.44 180.32 1ddb h VAL 21 N 0.81 0.00 -0.27 1.05 3.04 -0.89 2.24 116.25 122.22 1ddb h VAL 21 Ca 0.20 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.82 1ddb h VAL 21 Cb 0.19 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.46 1ddb h VAL 21 CO -0.02 0.00 0.11 0.15 -1.01 0.00 0.00 177.57 176.80 1ddb h PHE 22 N -1.12 0.37 0.01 3.17 3.04 -1.45 -2.11 116.94 118.86 1ddb h PHE 22 Ca -0.11 -0.01 -0.23 0.00 3.98 0.00 0.00 57.97 61.60 1ddb h PHE 22 Cb 0.82 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.21 1ddb h PHE 22 CO 0.04 0.30 -0.97 0.78 -2.02 0.00 0.00 178.31 176.44 1ddb h GLY 23 N 0.53 0.48 0.19 2.40 0.00 0.24 -3.01 103.07 103.90 1ddb h GLY 23 Ca 0.10 -0.86 0.04 0.00 0.00 0.00 0.00 47.33 46.60 1ddb h GLY 23 CO -0.01 0.76 -0.37 -2.75 0.00 0.00 0.00 176.54 174.17 1ddb h PHE 24 N 0.24 -1.03 -0.65 5.60 3.04 0.44 0.63 116.94 125.22 1ddb h PHE 24 Ca -0.09 0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.92 1ddb h PHE 24 Cb 1.61 0.46 -0.04 0.00 2.56 0.00 0.00 35.95 40.54 1ddb h PHE 24 CO 0.06 -0.45 0.41 -0.07 -2.02 0.00 0.00 178.31 176.24 1ddb h LEU 25 N -0.50 0.67 -1.83 0.59 4.07 -1.62 -0.46 115.31 116.23 1ddb h LEU 25 Ca 0.06 -0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.19 1ddb h LEU 25 Cb 0.60 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 1ddb h LEU 25 CO -0.31 0.47 0.46 -0.61 -1.08 0.00 0.00 178.44 177.37 1ddb h GLN 26 N 0.81 0.16 0.00 1.13 4.15 -1.14 -3.14 115.11 117.07 1ddb h GLN 26 Ca 0.25 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1ddb h GLN 26 Cb -0.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1ddb h GLN 26 CO -0.09 0.10 0.00 0.45 -1.93 0.00 0.00 178.83 177.36 1ddb n SER 27 N -4.41 0.00 -1.92 -0.69 2.88 0.11 -4.86 113.62 104.73 1ddb n SER 27 Ca 0.13 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.68 1ddb n SER 27 Cb 0.62 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.80 0.00 -3.46 2.88 -1.18 -4.96 113.62 107.70 1ddb n SER 28 Ca 0.00 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 1ddb n SER 28 Cb 0.00 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.02 1.41 0.00 0.46 0.00 -1.19 -4.64 105.19 101.22 1ddb n GLY 29 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.36 0.11 0.21 0.00 2.01 -1.26 -5.00 115.64 112.07 1ddb s THR 31 Ca 0.00 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 1ddb s THR 31 Cb 0.00 -1.10 0.20 0.00 0.01 0.00 0.00 72.50 71.61 1ddb s THR 31 CO 0.00 -0.52 1.58 0.08 -0.69 0.00 0.00 174.62 175.07 1ddb h ARG 32 N 3.07 -0.09 -0.03 4.92 0.11 -1.93 1.56 114.38 121.99 1ddb h ARG 32 Ca -0.33 0.01 0.01 0.00 0.10 0.00 0.00 59.98 59.77 1ddb h ARG 32 Cb 1.20 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 1ddb h ARG 32 CO 0.51 -0.06 0.03 0.37 0.10 0.00 0.00 179.97 180.92 1ddb h GLN 33 N -0.09 0.00 0.32 0.08 4.15 -1.97 -2.38 115.11 115.22 1ddb h GLN 33 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 1ddb h GLN 33 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1ddb h GLN 33 CO -0.77 0.00 -0.15 1.49 -1.93 0.00 0.00 178.83 177.47 1ddb h GLU 34 N 0.00 -0.41 -1.11 1.69 4.57 0.18 -1.65 114.58 117.84 1ddb h GLU 34 Ca 0.02 0.03 0.31 0.00 -1.18 0.00 0.00 59.36 58.53 1ddb h GLU 34 Cb 0.07 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.69 1ddb h GLU 34 CO -0.00 -0.08 0.76 1.25 -1.18 0.00 0.00 179.01 179.76 1ddb h LEU 35 N -0.81 0.20 -0.02 1.64 6.46 -0.58 0.86 115.31 123.06 1ddb h LEU 35 Ca -0.04 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1ddb h LEU 35 Cb 0.52 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1ddb h LEU 35 CO 0.07 0.03 -0.04 -0.08 -0.62 0.00 0.00 178.44 177.80 1ddb h GLU 36 N 0.17 0.07 0.57 1.25 4.81 -1.27 1.67 114.58 121.84 1ddb h GLU 36 Ca 0.58 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 1ddb h GLU 36 Cb 1.93 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.32 1ddb h GLU 36 CO -0.15 0.59 -0.27 -0.24 -0.73 0.00 0.00 179.01 178.21 1ddb h VAL 37 N -0.45 0.36 -0.44 0.32 3.04 0.58 1.01 116.25 120.67 1ddb h VAL 37 Ca 0.00 -0.27 -0.04 0.00 -1.01 0.00 0.00 66.70 65.38 1ddb h VAL 37 Cb 0.58 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 1ddb h VAL 37 CO 0.01 0.04 0.11 -0.07 -1.01 0.00 0.00 177.57 176.64 1ddb h LEU 38 N -0.95 0.67 0.19 3.16 3.38 0.41 -3.08 115.31 119.09 1ddb h LEU 38 Ca -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1ddb h LEU 38 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ddb h LEU 38 CO 0.13 0.73 -0.10 1.23 0.09 0.00 0.00 178.44 180.52 1ddb h GLY 39 N 0.58 -0.27 -7.18 0.83 0.00 0.25 -3.40 103.07 93.88 1ddb h GLY 39 Ca 0.14 0.11 -0.57 0.00 0.00 0.00 0.00 47.33 47.01 1ddb h GLY 39 CO 0.00 -0.10 1.54 -2.13 0.00 0.00 0.00 176.54 175.85 1ddb n ARG 40 N -5.21 1.19 -3.50 4.80 0.63 0.35 -4.88 116.66 110.04 1ddb n ARG 40 Ca -0.09 0.23 -0.24 0.00 -0.92 0.00 0.00 57.85 56.83 1ddb n ARG 40 Cb 0.13 -2.88 -0.13 0.00 0.45 0.00 0.00 32.46 30.03 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ddb s GLU 41 N 7.18 0.22 -0.43 -0.14 2.56 -1.26 -4.89 118.70 121.94 1ddb s GLU 41 Ca 1.06 -0.31 -0.17 0.00 0.00 0.00 0.00 54.97 55.56 1ddb s GLU 41 Cb -0.55 -1.06 0.03 0.00 2.00 0.00 0.00 34.13 34.55 1ddb s GLU 41 CO 0.38 -0.96 0.45 -1.17 -0.56 0.00 0.00 175.26 173.40 1ddb s LEU 42 N 2.21 4.96 -0.88 2.70 0.20 -1.26 -5.00 118.68 121.60 1ddb s LEU 42 Ca 0.08 -0.77 -0.25 0.00 0.69 0.00 0.00 54.13 53.89 1ddb s LEU 42 Cb -0.15 -2.36 0.00 0.00 -0.43 0.00 0.00 46.19 43.25 1ddb s LEU 42 CO -0.31 -0.61 1.66 -2.16 -0.29 0.00 0.00 176.35 174.63 1ddb s PRO 43 N 2.12 3.03 -0.99 0.98 0.04 -1.26 -4.87 135.00 134.05 1ddb s PRO 43 Ca 0.11 -0.46 -0.24 0.00 0.04 0.00 0.00 61.00 60.46 1ddb s PRO 43 Cb -0.18 -4.95 -0.25 0.00 0.04 0.00 0.00 34.50 29.16 1ddb s PRO 43 CO 0.13 -2.68 2.52 0.28 0.04 0.00 0.00 177.00 177.28 1ddb n VAL 44 N 7.21 -0.00 -3.01 -0.36 0.31 -1.26 -2.64 118.33 118.58 1ddb n VAL 44 Ca 0.29 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ddb n VAL 44 Cb 0.49 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 1ddb n VAL 44 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ddb n GLN 45 N 7.58 -0.31 -1.14 5.55 7.27 -1.26 -4.65 117.38 130.42 1ddb n GLN 45 Ca 0.66 0.75 -0.28 0.00 0.07 0.00 0.00 57.00 58.20 1ddb n GLN 45 Cb 0.08 -0.90 -0.08 0.00 2.41 0.00 0.00 30.24 31.75 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 1.33 6.83 -1.50 1.69 0.00 -1.08 -4.88 120.51 122.90 1ddb n ALA 46 Ca 0.00 -2.77 -0.24 0.00 0.00 0.00 0.00 53.44 50.43 1ddb n ALA 46 Cb 0.43 -2.97 -0.21 0.00 0.00 0.00 0.00 19.45 16.70 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 3.26 0.13 0.00 0.00 9.36 -1.26 -4.01 117.16 124.63 1ddb n TYR 47 Ca 0.63 0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.89 1ddb n TYR 47 Cb 0.45 -0.83 0.00 0.00 -0.63 0.00 0.00 39.34 38.33 1ddb n TYR 47 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 1ddb n TRP 48 N 6.80 0.00 -4.19 2.98 4.27 -1.26 -5.16 117.44 120.88 1ddb n TRP 48 Ca 0.66 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.98 1ddb n TRP 48 Cb 0.15 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.00 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1ddb s GLU 49 N 0.00 2.26 0.00 -2.67 2.02 -1.26 -5.04 118.70 114.02 1ddb s GLU 49 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1ddb s GLU 49 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1ddb s GLU 49 CO 0.00 0.52 0.00 0.00 0.02 0.00 0.00 175.26 175.80 1ddb n ALA 50 N 0.63 0.00 -3.33 5.21 0.00 -1.26 -5.16 120.51 116.60 1ddb n ALA 50 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.34 1ddb n ALA 50 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1ddb n ALA 50 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ddb s ASP 51 N 0.00 -1.02 0.00 0.00 1.47 -1.26 -5.09 116.67 110.77 1ddb s ASP 51 Ca 0.00 0.96 0.00 0.00 1.18 0.00 0.00 52.55 54.69 1ddb s ASP 51 Cb 0.00 1.99 0.00 0.00 -0.34 0.00 0.00 42.92 44.57 1ddb s ASP 51 CO 0.00 -0.19 0.27 0.18 0.68 0.00 0.00 175.17 176.10 1ddb n LEU 52 N 5.36 0.00 -3.28 2.11 7.99 -1.26 -4.72 117.00 123.20 1ddb n LEU 52 Ca -0.06 0.27 0.03 0.00 -0.01 0.00 0.00 56.01 56.23 1ddb n LEU 52 Cb 0.51 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.80 1ddb n LEU 52 CO -0.02 0.00 0.41 -0.70 -1.51 0.00 0.00 177.39 175.57 1ddb s GLU 53 N -0.72 0.39 0.42 3.23 2.12 -1.26 -5.16 118.70 117.72 1ddb s GLU 53 Ca 0.00 0.80 -0.16 0.00 0.36 0.00 0.00 54.97 55.97 1ddb s GLU 53 Cb 0.00 0.46 -0.09 0.00 0.26 0.00 0.00 34.13 34.76 1ddb s GLU 53 CO 0.00 -0.31 0.87 0.16 -0.54 0.00 0.00 175.26 175.44 1ddb s ASP 54 N 2.79 6.74 0.04 -1.70 1.47 -1.26 -5.08 116.67 119.67 1ddb s ASP 54 Ca 0.05 1.45 0.00 0.00 1.18 0.00 0.00 52.55 55.23 1ddb s ASP 54 Cb -0.11 -2.45 -0.03 0.00 -0.34 0.00 0.00 42.92 39.99 1ddb s ASP 54 CO -0.17 -0.38 -0.04 -1.83 0.68 0.00 0.00 175.17 173.43 1ddb s GLU 55 N -3.47 0.46 -0.32 2.11 4.04 -1.26 -5.12 118.70 115.14 1ddb s GLU 55 Ca 0.57 -0.86 -0.05 0.00 0.04 0.00 0.00 54.97 54.67 1ddb s GLU 55 Cb -0.10 0.06 0.19 0.00 0.02 0.00 0.00 34.13 34.30 1ddb s GLU 55 CO 0.22 -0.05 0.92 -0.48 -1.84 0.00 0.00 175.26 174.03 1ddb s LEU 56 N -2.01 -0.72 -0.30 1.83 0.05 -1.26 -5.15 118.68 111.13 1ddb s LEU 56 Ca -0.07 -0.11 -0.16 0.00 0.05 0.00 0.00 54.13 53.84 1ddb s LEU 56 Cb -0.04 1.21 0.17 0.00 -2.05 0.00 0.00 46.19 45.48 1ddb s LEU 56 CO -0.04 -0.11 1.05 -1.58 -0.55 0.00 0.00 176.35 175.12 1ddb s GLN 57 N 2.48 0.26 0.00 1.48 -0.44 -1.26 -5.11 119.66 117.07 1ddb s GLN 57 Ca 0.19 0.57 0.00 0.00 -2.50 0.00 0.00 55.36 53.62 1ddb s GLN 57 Cb -0.02 0.26 0.00 0.00 -1.64 0.00 0.00 33.01 31.62 1ddb s GLN 57 CO -0.19 -0.08 0.00 0.25 0.50 0.00 0.00 175.29 175.78 1ddb n THR 58 N 4.46 0.00 0.10 -0.34 -2.24 -1.26 -5.07 114.28 109.94 1ddb n THR 58 Ca -0.12 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ddb n THR 58 Cb 0.54 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1ddb n THR 58 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ddb n ASP 59 N -1.06 -1.85 -0.06 3.42 2.03 -1.26 -5.16 116.55 112.61 1ddb n ASP 59 Ca 0.00 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1ddb n ASP 59 Cb 0.00 1.96 0.00 0.00 -0.72 0.00 0.00 41.12 42.36 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 -1.46 0.42 0.00 0.27 0.00 -1.26 -5.06 105.19 98.09 1ddb n GLY 60 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ddb n SER 61 N -0.05 0.00 -3.63 1.61 3.41 -1.26 -5.07 113.62 108.63 1ddb n SER 61 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1ddb n SER 61 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1ddb n SER 61 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1ddb s GLN 62 N -1.68 0.18 0.05 4.33 2.00 -1.26 -5.05 119.66 118.24 1ddb s GLN 62 Ca 0.00 0.32 -0.00 0.00 -2.00 0.00 0.00 55.36 53.68 1ddb s GLN 62 Cb 0.00 0.04 -0.04 0.00 0.80 0.00 0.00 33.01 33.82 1ddb s GLN 62 CO 0.00 -0.04 -0.04 0.00 -0.50 0.00 0.00 175.29 174.71 1ddb s ALA 63 N 1.21 0.54 0.02 1.58 0.00 -1.26 -4.56 121.76 119.28 1ddb s ALA 63 Ca -0.08 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.86 1ddb s ALA 63 Cb -0.03 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1ddb s ALA 63 CO -0.12 -0.28 -0.25 -1.54 0.00 0.00 0.00 175.76 173.57 1ddb s SER 64 N -2.59 3.22 0.08 0.00 1.04 -1.26 -4.97 113.70 109.22 1ddb s SER 64 Ca 0.03 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1ddb s SER 64 Cb 0.03 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1ddb s SER 64 CO -0.07 0.28 0.00 0.54 0.98 0.00 0.00 173.24 174.98 1ddb n ARG 65 N 2.01 0.00 -1.30 4.02 1.74 -1.26 -5.10 116.66 116.77 1ddb n ARG 65 Ca -0.17 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.41 1ddb n ARG 65 Cb 0.52 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.88 1ddb n ARG 65 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ddb n SER 66 N -2.69 0.43 -4.07 0.55 2.88 -1.26 -4.81 113.62 104.65 1ddb n SER 66 Ca 0.00 0.94 -0.33 0.00 -1.33 0.00 0.00 58.87 58.15 1ddb n SER 66 Cb 0.00 -0.73 0.09 0.00 -0.75 0.00 0.00 64.21 62.83 1ddb n SER 66 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1ddb n PHE 67 N 2.10 -1.40 -1.61 0.66 7.35 -1.26 -4.93 117.46 118.37 1ddb n PHE 67 Ca 0.20 0.43 -0.30 0.00 -0.76 0.00 0.00 57.45 57.02 1ddb n PHE 67 Cb 0.01 -1.45 0.10 0.00 0.35 0.00 0.00 39.48 38.49 1ddb n PHE 67 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ddb s ASN 68 N -1.38 4.38 0.27 -2.13 4.22 -1.26 -5.09 114.94 113.96 1ddb s ASN 68 Ca 0.42 1.18 0.02 0.00 -2.14 0.00 0.00 52.86 52.34 1ddb s ASN 68 Cb 0.01 -1.87 -0.05 0.00 1.28 0.00 0.00 41.25 40.62 1ddb s ASN 68 CO 0.61 -2.02 0.08 -1.58 -2.04 0.00 0.00 177.10 172.15 1ddb s GLN 69 N -5.23 1.47 0.15 3.55 0.74 -1.26 -5.05 119.66 114.02 1ddb s GLN 69 Ca 0.61 -1.80 -0.27 0.00 0.05 0.00 0.00 55.36 53.96 1ddb s GLN 69 Cb -0.14 -0.44 -0.04 0.00 1.10 0.00 0.00 33.01 33.49 1ddb s GLN 69 CO 0.53 -0.26 1.38 0.41 -0.55 0.00 0.00 175.29 176.80 1ddb n GLY 70 N -0.52 -2.28 3.20 2.59 0.00 -1.26 -2.78 105.19 104.14 1ddb n GLY 70 Ca -0.01 1.06 -0.41 0.00 0.00 0.00 0.00 46.02 46.66 1ddb n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ddb s ARG 71 N -5.48 3.13 0.32 1.61 3.00 -1.26 -5.06 118.95 115.21 1ddb s ARG 71 Ca -0.11 -2.60 -0.27 0.00 0.00 0.00 0.00 55.73 52.75 1ddb s ARG 71 Cb 0.11 -4.07 -0.13 0.00 0.00 0.00 0.00 34.95 30.85 1ddb s ARG 71 CO 0.56 -1.23 0.96 1.51 0.00 0.00 0.00 175.30 177.10 1ddb n ILE 72 N 3.54 2.06 -3.82 1.52 3.06 -1.12 -4.95 119.36 119.65 1ddb n ILE 72 Ca 0.12 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.51 1ddb n ILE 72 Cb 0.42 -0.97 -0.13 0.00 0.54 0.00 0.00 39.64 39.50 1ddb n ILE 72 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1ddb s GLU 73 N -1.63 2.98 0.99 9.51 1.03 -1.26 -5.06 118.70 125.26 1ddb s GLU 73 Ca 0.60 -0.91 -0.15 0.00 0.03 0.00 0.00 54.97 54.54 1ddb s GLU 73 Cb -0.67 -3.26 0.18 0.00 -0.80 0.00 0.00 34.13 29.59 1ddb s GLU 73 CO 0.59 -0.44 1.18 -1.25 -1.33 0.00 0.00 175.26 174.01 1ddb s PRO 74 N 1.44 0.51 0.05 -4.83 0.04 -1.26 -4.88 135.00 126.06 1ddb s PRO 74 Ca 0.01 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1ddb s PRO 74 Cb -0.17 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ddb s PRO 74 CO 0.00 -2.58 0.00 -0.25 0.04 0.00 0.00 177.00 174.21 1ddb n ASP 75 N -3.98 -3.97 0.00 6.66 8.00 -1.26 -5.07 116.55 116.93 1ddb n ASP 75 Ca 0.10 0.41 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1ddb n ASP 75 Cb 0.59 -2.14 0.00 0.00 -0.02 0.00 0.00 41.12 39.56 1ddb n ASP 75 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ddb n SER 76 N 0.53 0.00 -0.41 -2.24 3.41 -1.26 -5.16 113.62 108.49 1ddb n SER 76 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1ddb n SER 76 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ddb n SER 76 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ddb n GLU 77 N -0.10 -0.89 -1.70 4.33 2.13 -1.26 -5.06 120.64 118.09 1ddb n GLU 77 Ca 0.00 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1ddb n GLU 77 Cb 0.00 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.65 1ddb n GLU 77 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ddb n SER 78 N -2.97 -8.88 -2.65 4.31 7.64 -1.26 -5.05 113.62 104.77 1ddb n SER 78 Ca -0.01 1.26 -0.03 0.00 1.01 0.00 0.00 58.87 61.09 1ddb n SER 78 Cb 0.19 -4.70 0.09 0.00 -1.01 0.00 0.00 64.21 58.78 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 0.05 0.00 0.00 1.43 -0.06 -1.26 -4.99 117.38 112.55 1ddb n GLN 79 Ca 0.00 -0.50 0.00 0.00 -2.00 0.00 0.00 57.00 54.50 1ddb n GLN 79 Cb 0.00 -0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1ddb n GLN 79 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1ddb n GLU 80 N 1.12 0.00 -2.55 3.69 1.02 -1.26 -4.60 120.64 118.06 1ddb n GLU 80 Ca -0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 1ddb n GLU 80 Cb 0.74 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.15 1ddb n GLU 80 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ddb n GLU 81 N -1.56 3.40 0.07 3.49 4.71 -1.26 -4.67 120.64 124.82 1ddb n GLU 81 Ca 0.00 -4.52 0.07 0.00 -0.01 0.00 0.00 57.16 52.70 1ddb n GLU 81 Cb 0.00 -2.26 -0.04 0.00 -1.01 0.00 0.00 31.44 28.13 1ddb n GLU 81 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1ddb n ILE 82 N -0.41 0.82 -0.19 -3.67 -0.00 -1.26 -4.04 119.36 110.60 1ddb n ILE 82 Ca 0.39 -0.61 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 1ddb n ILE 82 Cb 0.53 -0.48 0.10 0.00 -0.00 0.00 0.00 39.64 39.80 1ddb n ILE 82 CO 0.00 0.00 0.00 -0.29 -0.00 0.00 0.00 176.55 176.26 1ddb h ILE 83 N 0.00 0.70 -0.62 7.28 2.10 -2.00 0.23 117.51 125.20 1ddb h ILE 83 Ca -0.07 -0.11 -0.01 0.00 1.08 0.00 0.00 64.86 65.75 1ddb h ILE 83 Cb 1.24 0.36 -0.03 0.00 -1.09 0.00 0.00 36.82 37.30 1ddb h ILE 83 CO 0.02 0.06 0.32 0.45 -1.08 0.00 0.00 178.15 177.92 1ddb h HIS 84 N 0.31 0.84 -0.12 2.19 3.86 -1.96 -1.48 115.15 118.79 1ddb h HIS 84 Ca 0.30 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.53 1ddb h HIS 84 Cb 0.42 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1ddb h HIS 84 CO -0.21 0.59 -0.11 -0.97 0.86 0.00 0.00 177.93 178.09 1ddb h ASN 85 N 0.86 -0.36 0.20 2.45 -1.24 -0.74 0.10 115.58 116.85 1ddb h ASN 85 Ca 0.22 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.28 1ddb h ASN 85 Cb 0.04 0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 1ddb h ASN 85 CO -0.03 -0.15 -0.12 0.16 -1.29 0.00 0.00 177.43 176.00 1ddb h ILE 86 N -0.13 0.82 0.24 2.57 3.07 -0.77 -2.05 117.51 121.27 1ddb h ILE 86 Ca 0.09 -0.45 0.01 0.00 1.55 0.00 0.00 64.86 66.06 1ddb h ILE 86 Cb 0.26 1.26 -0.03 0.00 -0.27 0.00 0.00 36.82 38.04 1ddb h ILE 86 CO -0.21 0.12 -0.33 0.00 -1.05 0.00 0.00 178.15 176.68 1ddb h ALA 87 N 1.88 -0.64 -0.70 0.16 0.00 0.23 0.13 119.26 120.32 1ddb h ALA 87 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ddb h ALA 87 Cb 0.25 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1ddb h ALA 87 CO 0.02 -0.90 0.25 0.07 0.00 0.00 0.00 179.25 178.68 1ddb h ARG 88 N -0.63 1.08 0.00 0.00 0.11 -1.05 -1.05 114.38 112.84 1ddb h ARG 88 Ca 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1ddb h ARG 88 Cb 0.60 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1ddb h ARG 88 CO -0.11 0.91 0.06 1.25 0.10 0.00 0.00 179.97 182.18 1ddb h HIS 89 N 1.02 0.00 0.26 4.08 2.76 -0.83 -2.61 115.15 119.83 1ddb h HIS 89 Ca 0.23 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1ddb h HIS 89 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1ddb h HIS 89 CO 0.02 0.00 -0.12 1.25 -1.30 0.00 0.00 177.93 177.78 1ddb h LEU 90 N 0.00 -0.29 -0.35 0.26 5.85 0.40 0.11 115.31 121.29 1ddb h LEU 90 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1ddb h LEU 90 Cb 0.13 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1ddb h LEU 90 CO 0.00 -0.20 -0.32 0.00 -0.34 0.00 0.00 178.44 177.58 1ddb h ALA 91 N -1.83 -0.22 -0.58 1.25 0.00 -1.57 0.80 119.26 117.12 1ddb h ALA 91 Ca -0.04 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1ddb h ALA 91 Cb 0.26 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1ddb h ALA 91 CO 0.06 -0.74 0.53 0.37 0.00 0.00 0.00 179.25 179.47 1ddb h GLN 92 N -0.28 0.00 -0.29 0.00 4.15 -1.50 0.77 115.11 117.96 1ddb h GLN 92 Ca 0.16 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.44 1ddb h GLN 92 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1ddb h GLN 92 CO -0.50 0.00 -0.37 0.97 -1.93 0.00 0.00 178.83 176.99 1ddb h ILE 93 N 0.00 1.29 0.42 2.39 6.09 0.33 0.13 117.51 128.16 1ddb h ILE 93 Ca 0.27 -1.53 -0.02 0.00 -1.37 0.00 0.00 64.86 62.21 1ddb h ILE 93 Cb 1.33 1.47 0.00 0.00 0.47 0.00 0.00 36.82 40.10 1ddb h ILE 93 CO -0.00 0.49 -0.20 1.23 -3.07 0.00 0.00 178.15 176.60 1ddb h GLY 94 N 0.99 -0.59 0.86 8.18 0.00 0.12 1.53 103.07 114.15 1ddb h GLY 94 Ca 0.05 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1ddb h GLY 94 CO 0.08 -0.22 0.03 -1.80 0.00 0.00 0.00 176.54 174.63 1ddb h ASP 95 N -0.71 0.09 -0.47 0.19 3.58 -1.48 -2.13 116.42 115.49 1ddb h ASP 95 Ca -0.06 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 1ddb h ASP 95 Cb 0.51 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1ddb h ASP 95 CO 0.10 0.22 0.29 -0.08 -2.88 0.00 0.00 179.24 176.89 1ddb h GLU 96 N -0.05 0.63 -0.56 0.28 4.81 -0.72 -1.63 114.58 117.34 1ddb h GLU 96 Ca 0.02 -0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.35 1ddb h GLU 96 Cb 0.16 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1ddb h GLU 96 CO -0.00 0.45 0.40 0.52 -0.73 0.00 0.00 179.01 179.65 1ddb h MET 97 N 0.63 0.04 -1.52 1.92 2.86 0.24 -1.48 114.93 117.61 1ddb h MET 97 Ca 0.17 -0.00 0.47 0.00 -2.06 0.00 0.00 59.70 58.28 1ddb h MET 97 Cb -0.02 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.54 1ddb h MET 97 CO -0.03 0.02 1.05 -3.47 1.06 0.00 0.00 176.91 175.54 1ddb n ASP 98 N -4.38 0.08 -0.15 1.22 2.03 -0.61 0.25 116.55 114.97 1ddb n ASP 98 Ca 0.10 1.01 -0.02 0.00 0.52 0.00 0.00 54.79 56.40 1ddb n ASP 98 Cb 0.61 -0.50 0.05 0.00 -0.72 0.00 0.00 41.12 40.56 1ddb n ASP 98 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ddb h HIS 99 N 0.00 -0.04 -2.16 -0.67 2.76 -1.45 -3.34 115.15 110.24 1ddb h HIS 99 Ca 0.80 0.04 -0.47 0.00 -2.20 0.00 0.00 60.37 58.54 1ddb h HIS 99 Cb 2.97 0.09 -0.34 0.00 1.55 0.00 0.00 27.41 31.69 1ddb h HIS 99 CO -0.00 -0.12 -0.80 1.21 -1.30 0.00 0.00 177.93 176.93 1ddb s ASN 100 N -5.25 1.52 -0.56 3.26 2.47 0.69 -5.00 114.94 112.06 1ddb s ASN 100 Ca -0.13 -2.17 0.04 0.00 0.42 0.00 0.00 52.86 51.02 1ddb s ASN 100 Cb 0.16 0.14 0.38 0.00 -1.45 0.00 0.00 41.25 40.47 1ddb s ASN 100 CO 0.72 -0.23 1.17 0.00 -3.72 0.00 0.00 177.10 175.04 1ddb n ILE 101 N 3.70 2.99 0.00 -5.21 3.06 -1.08 -4.68 119.36 118.14 1ddb n ILE 101 Ca 0.17 -5.21 0.00 0.00 -2.50 0.00 0.00 62.75 55.21 1ddb n ILE 101 Cb 0.44 -1.34 0.00 0.00 0.54 0.00 0.00 39.64 39.29 1ddb n ILE 101 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ddb n GLN 102 N -0.37 0.00 0.00 9.51 -0.00 -1.26 -3.78 117.38 121.48 1ddb n GLN 102 Ca 0.38 0.00 0.08 0.00 -0.00 0.00 0.00 57.00 57.45 1ddb n GLN 102 Cb 0.50 0.00 0.45 0.00 -0.00 0.00 0.00 30.24 31.19 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1ddb n PRO 103 N 0.00 0.75 0.00 2.61 -0.04 -1.26 -3.67 135.00 133.38 1ddb n PRO 103 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ddb n PRO 103 Cb 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1ddb n PRO 103 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ddb n THR 104 N -0.82 0.00 0.00 0.52 5.66 -1.26 -4.97 114.28 113.42 1ddb n THR 104 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1ddb n THR 104 Cb 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1ddb n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddb n LEU 105 N 0.00 0.00 0.00 1.09 -0.00 -1.24 -5.05 117.00 111.79 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ddb n LEU 105 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1ddb n LEU 105 CO 0.00 0.00 0.21 0.52 -0.00 0.00 0.00 177.39 178.12 1ddb n VAL 106 N -0.90 0.00 0.29 1.47 0.31 -1.26 -1.63 118.33 116.62 1ddb n VAL 106 Ca 0.00 0.81 0.18 0.00 -0.01 0.00 0.00 64.34 65.32 1ddb n VAL 106 Cb 0.00 -1.61 0.92 0.00 -0.91 0.00 0.00 33.84 32.23 1ddb n VAL 106 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1ddb h ARG 107 N 0.00 0.00 -0.63 5.55 2.43 -1.92 0.12 114.38 119.93 1ddb h ARG 107 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1ddb h ARG 107 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1ddb h ARG 107 CO 0.00 0.00 0.09 0.37 -1.51 0.00 0.00 179.97 178.92 1ddb h GLN 108 N 0.00 1.04 0.72 0.20 4.15 -1.74 0.16 115.11 119.64 1ddb h GLN 108 Ca 0.03 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.13 1ddb h GLN 108 Cb 0.50 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.08 1ddb h GLN 108 CO -0.00 0.97 -0.34 1.37 -1.93 0.00 0.00 178.83 178.90 1ddb h LEU 109 N 0.95 -0.82 -0.30 -2.39 8.10 0.21 0.45 115.31 121.52 1ddb h LEU 109 Ca 0.19 0.03 0.07 0.00 0.11 0.00 0.00 57.88 58.28 1ddb h LEU 109 Cb 0.44 0.21 -0.08 0.00 -0.44 0.00 0.00 40.66 40.79 1ddb h LEU 109 CO 0.01 -0.50 -0.27 0.00 -4.11 0.00 0.00 178.44 173.57 1ddb h ALA 110 N -1.39 -0.14 0.00 0.17 0.00 -1.54 1.10 119.26 117.46 1ddb h ALA 110 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ddb h ALA 110 Cb 0.74 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ddb h ALA 110 CO 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 178.72 1ddb h ALA 111 N 0.79 1.00 -0.25 0.00 0.00 -0.67 -2.12 119.26 118.00 1ddb h ALA 111 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ddb h ALA 111 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ddb h ALA 111 CO -0.44 0.00 0.10 -0.56 0.00 0.00 0.00 179.25 178.34 1ddb h GLN 112 N 0.00 0.38 -0.54 0.00 3.07 0.61 -2.97 115.11 115.67 1ddb h GLN 112 Ca 0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 1ddb h GLN 112 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 1ddb h GLN 112 CO 0.00 0.43 0.20 0.27 0.09 0.00 0.00 178.83 179.82 1ddb h PHE 113 N 0.25 0.84 -1.80 0.06 -5.15 -1.08 -3.42 116.94 106.64 1ddb h PHE 113 Ca 0.08 -0.07 -0.66 0.00 -0.20 0.00 0.00 57.97 57.12 1ddb h PHE 113 Cb 0.20 -0.25 0.01 0.00 0.22 0.00 0.00 35.95 36.13 1ddb h PHE 113 CO -0.00 0.69 1.07 -0.12 -2.00 0.00 0.00 178.31 177.95 1ddb n MET 114 N -4.50 1.76 0.00 6.09 1.56 -1.12 -4.90 117.12 116.01 1ddb n MET 114 Ca 0.02 0.64 0.00 0.00 -0.27 0.00 0.00 57.70 58.09 1ddb n MET 114 Cb 0.17 -2.47 0.00 0.00 2.15 0.00 0.00 33.22 33.07 1ddb n MET 114 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1ddb n ASN 115 N 6.61 0.00 -2.73 6.12 6.94 -1.26 -4.98 115.26 125.96 1ddb n ASN 115 Ca 0.26 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.73 1ddb n ASN 115 Cb 0.24 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.75 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ddb n GLY 116 N 0.00 0.54 0.63 4.83 0.00 -1.26 -4.93 105.19 105.00 1ddb n GLY 116 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.45 -0.11 0.00 1.61 7.64 -1.26 -5.01 113.62 116.95 1ddb n SER 117 Ca 0.06 -1.39 0.00 0.00 1.01 0.00 0.00 58.87 58.55 1ddb n SER 117 Cb 0.70 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.02 0.00 -2.97 -3.43 4.77 -1.26 -4.87 117.00 109.26 1ddb n LEU 118 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 1ddb n LEU 118 Cb 0.60 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1ddb n LEU 118 CO -0.02 0.00 -0.07 -0.24 -1.33 0.00 0.00 177.39 175.72 1ddb n SER 119 N 0.00 0.33 0.00 -1.43 2.88 -1.26 -4.91 113.62 109.22 1ddb n SER 119 Ca 0.00 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1ddb n SER 119 Cb 0.00 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1ddb n SER 119 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ddb n GLU 120 N 0.16 0.00 0.00 -1.46 2.13 -1.26 -4.13 120.64 116.08 1ddb n GLU 120 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1ddb n GLU 120 Cb 0.71 -3.50 0.00 0.00 0.27 0.00 0.00 31.44 28.93 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 -1.89 0.00 -1.91 5.31 1.02 -1.26 -5.06 120.64 116.85 1ddb n GLU 121 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1ddb n GLU 121 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ddb n ASP 122 N 0.00 0.97 0.00 1.62 2.03 -1.26 -5.05 116.55 114.86 1ddb n ASP 122 Ca 0.00 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.30 1ddb n ASP 122 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1ddb n ASP 122 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ddb n LYS 123 N 0.07 0.00 0.00 -0.67 4.01 -1.26 -4.48 118.16 115.84 1ddb n LYS 123 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1ddb n LYS 123 Cb 1.01 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.53 1ddb n LYS 123 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1ddb n ARG 124 N 0.00 0.00 0.01 1.97 0.63 -1.26 -3.86 116.66 114.15 1ddb n ARG 124 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 1ddb n ARG 124 Cb 0.00 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.05 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1ddb h ASN 125 N 0.00 0.54 -0.14 6.15 -0.73 -1.99 -2.92 115.58 116.48 1ddb h ASN 125 Ca 0.00 -0.22 0.03 0.00 1.87 0.00 0.00 56.30 57.98 1ddb h ASN 125 Cb 0.00 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 38.38 1ddb h ASN 125 CO 0.00 0.85 -0.52 0.00 -0.37 0.00 0.00 177.43 177.39 1ddb h LEU 127 N -0.56 -0.39 -1.70 0.00 -0.00 -1.88 0.77 115.31 111.55 1ddb h LEU 127 Ca 0.04 0.04 0.43 0.00 -0.00 0.00 0.00 57.88 58.39 1ddb h LEU 127 Cb 0.67 0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 41.38 1ddb h LEU 127 CO -0.44 -0.14 0.98 0.00 -0.00 0.00 0.00 178.44 178.85 1ddb h ALA 128 N -1.32 3.07 -0.70 0.17 0.00 -1.28 2.52 119.26 121.72 1ddb h ALA 128 Ca -0.00 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1ddb h ALA 128 Cb 0.19 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1ddb h ALA 128 CO -0.07 -1.59 0.46 -0.22 0.00 0.00 0.00 179.25 177.84 1ddb h LYS 129 N 0.08 0.50 -0.18 0.00 3.64 0.39 0.11 116.57 121.11 1ddb h LYS 129 Ca 0.77 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.92 1ddb h LYS 129 Cb 2.69 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 34.40 1ddb h LYS 129 CO -0.20 0.33 -0.67 0.00 -2.27 0.00 0.00 179.45 176.64 1ddb h ALA 130 N 1.65 0.47 -0.83 5.00 0.00 0.47 -2.73 119.26 123.30 1ddb h ALA 130 Ca 0.33 -0.56 0.19 0.00 0.00 0.00 0.00 54.91 54.87 1ddb h ALA 130 Cb 0.59 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 1ddb h ALA 130 CO -0.11 0.70 0.28 1.25 0.00 0.00 0.00 179.25 181.37 1ddb h LEU 131 N 0.51 0.16 0.49 0.00 7.12 -0.53 2.26 115.31 125.32 1ddb h LEU 131 Ca -0.02 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 1ddb h LEU 131 Cb 1.27 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.58 1ddb h LEU 131 CO 0.13 -0.03 -0.24 -0.78 -0.13 0.00 0.00 178.44 177.40 1ddb h ASP 132 N 0.33 -0.56 0.18 1.25 1.82 -1.40 1.18 116.42 119.21 1ddb h ASP 132 Ca 0.49 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.16 1ddb h ASP 132 Cb 0.90 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 41.02 1ddb h ASP 132 CO -0.53 -0.25 -0.44 -0.33 -1.61 0.00 0.00 179.24 176.08 1ddb h GLU 133 N -0.97 -0.65 -0.63 0.28 4.39 -1.04 0.34 114.58 116.29 1ddb h GLU 133 Ca -0.07 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1ddb h GLU 133 Cb 0.51 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1ddb h GLU 133 CO 0.11 -0.44 0.38 -0.24 -1.16 0.00 0.00 179.01 177.67 1ddb h VAL 134 N -0.68 1.06 -0.12 3.13 3.04 0.36 0.87 116.25 123.91 1ddb h VAL 134 Ca -0.02 -0.26 -0.06 0.00 -1.01 0.00 0.00 66.70 65.35 1ddb h VAL 134 Cb 0.65 0.25 -0.04 0.00 -2.01 0.00 0.00 31.29 30.14 1ddb h VAL 134 CO -0.20 0.14 0.08 1.17 -1.01 0.00 0.00 177.57 177.75 1ddb n LYS 135 N -4.73 1.19 -1.71 4.17 4.81 0.41 -3.07 118.16 119.22 1ddb n LYS 135 Ca 0.06 -0.39 -0.05 0.00 -0.87 0.00 0.00 58.31 57.07 1ddb n LYS 135 Cb 0.09 -1.19 0.02 0.00 0.02 0.00 0.00 35.03 33.97 1ddb n LYS 135 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ddb n THR 136 N 0.27 0.00 0.12 3.15 -2.24 0.11 -4.80 114.28 110.90 1ddb n THR 136 Ca 0.07 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1ddb n THR 136 Cb 0.63 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddb n ALA 137 N -0.66 2.10 -2.53 6.98 0.00 -0.87 -4.88 120.51 120.63 1ddb n ALA 137 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 1ddb n ALA 137 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -3.19 2.98 -1.56 0.00 -1.74 -1.23 -5.08 117.46 107.64 1ddb n PHE 138 Ca 0.00 -3.09 -0.31 0.00 -0.56 0.00 0.00 57.45 53.50 1ddb n PHE 138 Cb 0.00 -0.15 0.06 0.00 1.52 0.00 0.00 39.48 40.91 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 -3.45 2.65 0.00 3.97 0.04 -1.26 -4.45 135.00 132.50 1ddb s PRO 139 Ca 0.44 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1ddb s PRO 139 Cb 0.41 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1ddb s PRO 139 CO -0.14 -1.28 0.00 -2.13 0.04 0.00 0.00 177.00 173.49 1ddb n ARG 140 N -3.23 0.00 0.00 4.56 0.00 -1.26 -4.79 116.66 111.93 1ddb n ARG 140 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1ddb n ARG 140 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 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 -0.23 6.15 8.00 -1.26 -3.50 116.55 125.70 1ddb n ASP 141 Ca 0.00 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.67 1ddb n ASP 141 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.59 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ddb h MET 142 N 0.00 0.44 0.66 -1.24 1.85 -1.94 3.47 114.93 118.18 1ddb h MET 142 Ca 0.00 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 1ddb h MET 142 Cb 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 31.93 1ddb h MET 142 CO 0.00 0.29 -0.35 0.93 -0.40 0.00 0.00 176.91 177.38 1ddb h GLU 143 N 0.46 -0.90 0.05 0.39 5.08 -1.96 0.46 114.58 118.16 1ddb h GLU 143 Ca 0.45 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1ddb h GLU 143 Cb 1.03 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ddb h GLU 143 CO -0.17 -0.60 -0.03 -0.91 -1.00 0.00 0.00 179.01 176.30 1ddb h ASN 144 N -0.93 -0.06 -0.91 1.42 -0.26 -1.63 -3.19 115.58 110.02 1ddb h ASN 144 Ca -0.09 -0.58 0.14 0.00 -0.56 0.00 0.00 56.30 55.22 1ddb h ASN 144 Cb 0.73 0.02 -0.15 0.00 -1.06 0.00 0.00 38.32 37.85 1ddb h ASN 144 CO 0.13 0.66 -0.37 -0.78 -1.06 0.00 0.00 177.43 176.00 1ddb h ASP 145 N -0.90 -1.37 -0.66 5.81 1.82 0.64 3.33 116.42 125.10 1ddb h ASP 145 Ca -0.01 0.29 0.19 0.00 -0.39 0.00 0.00 57.03 57.12 1ddb h ASP 145 Cb 0.63 0.72 -0.03 0.00 0.68 0.00 0.00 39.33 41.33 1ddb h ASP 145 CO 0.01 -0.29 0.48 0.50 -1.61 0.00 0.00 179.24 178.33 1ddb h LYS 146 N -0.04 0.00 0.18 0.28 3.64 -0.96 -0.63 116.57 119.04 1ddb h LYS 146 Ca 0.32 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1ddb h LYS 146 Cb 0.59 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1ddb h LYS 146 CO -0.92 0.00 -0.36 0.00 -2.27 0.00 0.00 179.45 175.90 1ddb h ALA 147 N 1.66 -0.66 0.06 5.00 0.00 0.62 0.42 119.26 126.36 1ddb h ALA 147 Ca 0.31 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ddb h ALA 147 Cb 1.27 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 1ddb h ALA 147 CO -0.00 -0.92 -0.42 0.52 0.00 0.00 0.00 179.25 178.42 1ddb h MET 148 N -0.62 -0.59 -0.97 0.00 2.86 -0.88 -0.08 114.93 114.65 1ddb h MET 148 Ca 0.02 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 57.87 1ddb h MET 148 Cb 0.63 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.33 1ddb h MET 148 CO -0.17 -0.39 0.61 -0.07 1.06 0.00 0.00 176.91 177.94 1ddb h LEU 149 N -0.61 0.71 -2.05 1.22 4.07 -1.31 1.02 115.31 118.36 1ddb h LEU 149 Ca 0.03 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1ddb h LEU 149 Cb 0.66 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 1ddb h LEU 149 CO -0.28 0.29 -0.06 0.40 -1.08 0.00 0.00 178.44 177.71 1ddb h ILE 150 N 0.71 0.83 0.94 1.22 1.08 0.16 -2.43 117.51 120.03 1ddb h ILE 150 Ca 0.53 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.73 1ddb h ILE 150 Cb 0.88 1.13 0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1ddb h ILE 150 CO -0.30 0.06 -0.45 0.24 -0.69 0.00 0.00 178.15 177.01 1ddb h MET 151 N 0.00 -1.22 -0.70 2.37 2.86 0.24 0.29 114.93 118.77 1ddb h MET 151 Ca -0.00 0.08 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 1ddb h MET 151 Cb 0.12 0.28 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 1ddb h MET 151 CO 0.01 -0.81 0.33 0.00 1.06 0.00 0.00 176.91 177.49 1ddb h THR 152 N -1.31 0.81 -0.16 2.22 1.03 -1.39 0.67 112.91 114.77 1ddb h THR 152 Ca -0.13 -0.19 -0.05 0.00 -0.01 0.00 0.00 66.41 66.03 1ddb h THR 152 Cb 0.97 0.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 1ddb h THR 152 CO 0.21 0.10 -0.11 0.24 -0.01 0.00 0.00 175.52 175.96 1ddb h MET 153 N 0.56 0.25 0.06 0.00 2.07 -1.31 -2.83 114.93 113.73 1ddb h MET 153 Ca 0.35 -0.05 0.02 0.00 -2.07 0.00 0.00 59.70 57.95 1ddb h MET 153 Cb 0.40 -0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 30.05 1ddb h MET 153 CO -0.29 0.37 -0.26 1.25 1.07 0.00 0.00 176.91 179.05 1ddb h LEU 154 N 0.24 -0.76 -0.17 1.22 7.12 0.20 1.21 115.31 124.38 1ddb h LEU 154 Ca 0.05 0.10 0.05 0.00 0.13 0.00 0.00 57.88 58.20 1ddb h LEU 154 Cb 0.34 0.30 -0.07 0.00 -0.53 0.00 0.00 40.66 40.71 1ddb h LEU 154 CO 0.02 -0.34 -0.43 -0.07 -0.13 0.00 0.00 178.44 177.48 1ddb h LEU 155 N -0.44 -1.37 -0.14 2.25 4.07 -1.26 0.61 115.31 119.03 1ddb h LEU 155 Ca 0.05 0.18 0.03 0.00 0.08 0.00 0.00 57.88 58.22 1ddb h LEU 155 Cb 0.49 0.56 -0.04 0.00 1.08 0.00 0.00 40.66 42.76 1ddb h LEU 155 CO -0.19 -0.42 -0.08 0.00 -1.08 0.00 0.00 178.44 176.67 1ddb h ALA 156 N 0.12 0.04 -0.38 1.53 0.00 -1.36 6.73 119.26 125.95 1ddb h ALA 156 Ca 0.08 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1ddb h ALA 156 Cb 0.63 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1ddb h ALA 156 CO -0.43 -0.52 -0.33 -0.22 0.00 0.00 0.00 179.25 177.75 1ddb h LYS 157 N -0.07 -0.26 0.18 0.00 3.11 0.27 4.11 116.57 123.91 1ddb h LYS 157 Ca 0.08 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.93 1ddb h LYS 157 Cb 0.19 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1ddb h LYS 157 CO -0.18 -0.17 -0.09 0.87 -2.81 0.00 0.00 179.45 177.07 1ddb h LYS 158 N -0.27 -0.23 -0.78 1.90 6.56 0.77 -3.31 116.57 121.21 1ddb h LYS 158 Ca 0.16 0.02 0.18 0.00 -1.06 0.00 0.00 60.65 59.95 1ddb h LYS 158 Cb 0.54 0.05 -0.13 0.00 -0.57 0.00 0.00 32.23 32.13 1ddb h LYS 158 CO -0.52 -0.02 0.12 0.28 -2.06 0.00 0.00 179.45 177.25 1ddb h VAL 159 N -1.03 0.39 -0.66 0.50 2.07 1.42 5.85 116.25 124.80 1ddb h VAL 159 Ca -0.02 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1ddb h VAL 159 Cb 0.32 0.19 -0.12 0.00 -1.52 0.00 0.00 31.29 30.16 1ddb h VAL 159 CO 0.04 0.03 -0.21 0.00 0.02 0.00 0.00 177.57 177.46 1ddb n ALA 160 N -2.79 0.05 0.36 1.67 0.00 1.35 0.28 120.51 121.43 1ddb n ALA 160 Ca 0.16 0.69 0.04 0.00 0.00 0.00 0.00 53.44 54.33 1ddb n ALA 160 Cb 0.52 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 -5.02 0.64 -0.09 0.00 7.64 0.22 -4.38 113.62 112.61 1ddb n SER 161 Ca 0.09 -0.63 -0.18 0.00 1.01 0.00 0.00 58.87 59.15 1ddb n SER 161 Cb 0.30 1.04 -0.11 0.00 -1.01 0.00 0.00 64.21 64.43 1ddb n SER 161 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ddb h HIS 162 N 0.00 0.00 -3.12 1.43 6.17 1.56 -3.41 115.15 117.78 1ddb h HIS 162 Ca 0.00 0.00 -0.65 0.00 0.71 0.00 0.00 60.37 60.43 1ddb h HIS 162 Cb 0.22 0.00 -0.40 0.00 2.52 0.00 0.00 27.41 29.75 1ddb h HIS 162 CO 0.00 1.21 -0.41 0.00 0.71 0.00 0.00 177.93 179.43 1ddb n ALA 163 N -3.24 3.58 1.50 5.26 0.00 0.78 -4.87 120.51 123.52 1ddb n ALA 163 Ca -0.24 -4.57 0.11 0.00 0.00 0.00 0.00 53.44 48.74 1ddb n ALA 163 Cb 0.58 -1.24 0.67 0.00 0.00 0.00 0.00 19.45 19.46 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 2.00 0.75 0.01 0.00 -0.04 -1.19 -2.07 135.00 134.46 1ddb n PRO 164 Ca 0.21 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1ddb n PRO 164 Cb 0.36 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.97 0.51 -1.54 3.54 7.64 -1.26 -4.13 113.62 117.41 1ddb n SER 165 Ca 0.17 -0.31 -0.14 0.00 1.01 0.00 0.00 58.87 59.60 1ddb n SER 165 Cb 0.08 1.24 0.12 0.00 -1.01 0.00 0.00 64.21 64.64 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 -1.98 4.63 -0.15 -3.43 4.77 -0.88 -4.78 117.00 115.18 1ddb n LEU 166 Ca 0.00 -4.23 -0.06 0.00 -0.03 0.00 0.00 56.01 51.69 1ddb n LEU 166 Cb 0.46 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1ddb n LEU 166 CO 0.43 1.63 0.65 0.17 -1.33 0.00 0.00 177.39 178.94 1ddb h LEU 167 N 1.56 -1.06 -0.98 2.23 -0.00 -1.72 0.81 115.31 116.16 1ddb h LEU 167 Ca 0.29 0.20 0.12 0.00 -0.00 0.00 0.00 57.88 58.49 1ddb h LEU 167 Cb 1.41 0.52 -0.08 0.00 -0.00 0.00 0.00 40.66 42.50 1ddb h LEU 167 CO 0.61 -0.30 0.61 0.08 -0.00 0.00 0.00 178.44 179.44 1ddb h ARG 168 N -0.20 0.93 -0.45 0.17 0.11 -1.91 0.87 114.38 113.90 1ddb h ARG 168 Ca 0.20 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 60.13 1ddb h ARG 168 Cb 0.53 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 1ddb h ARG 168 CO -0.59 0.62 -0.11 -0.44 0.10 0.00 0.00 179.97 179.54 1ddb h ASP 169 N 0.96 0.82 -0.28 0.08 5.19 -0.67 -2.24 116.42 120.28 1ddb h ASP 169 Ca 0.49 -0.25 0.04 0.00 -0.62 0.00 0.00 57.03 56.68 1ddb h ASP 169 Cb 0.48 -0.22 -0.07 0.00 0.18 0.00 0.00 39.33 39.70 1ddb h ASP 169 CO -0.27 0.95 -0.53 0.58 -3.12 0.00 0.00 179.24 176.85 1ddb h VAL 170 N 0.74 0.00 -0.16 -1.35 2.07 0.29 0.67 116.25 118.52 1ddb h VAL 170 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1ddb h VAL 170 Cb 0.61 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1ddb h VAL 170 CO 0.04 0.00 0.05 -0.26 0.02 0.00 0.00 177.57 177.42 1ddb h PHE 171 N -0.46 0.08 -0.74 1.57 -1.00 -1.43 -0.96 116.94 114.00 1ddb h PHE 171 Ca 0.05 0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.05 1ddb h PHE 171 Cb 0.61 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 1ddb h PHE 171 CO -0.66 0.04 0.52 1.25 -1.61 0.00 0.00 178.31 177.85 1ddb h HIS 172 N 0.12 0.08 0.10 -0.55 2.76 -0.66 -1.71 115.15 115.28 1ddb h HIS 172 Ca 0.07 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1ddb h HIS 172 Cb 0.05 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1ddb h HIS 172 CO -0.12 0.03 -0.05 1.15 -1.30 0.00 0.00 177.93 177.64 1ddb h THR 173 N 0.06 0.00 -0.59 6.26 2.02 0.17 0.45 112.91 121.29 1ddb h THR 173 Ca 0.36 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.59 1ddb h THR 173 Cb 1.32 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.63 1ddb h THR 173 CO -0.03 0.00 -0.53 0.00 0.37 0.00 0.00 175.52 175.33 1ddb h THR 174 N -0.15 0.02 0.00 3.16 1.03 -1.22 2.40 112.91 118.16 1ddb h THR 174 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1ddb h THR 174 Cb 0.10 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.20 1ddb h THR 174 CO 0.02 0.00 0.00 0.52 -0.01 0.00 0.00 175.52 176.05 1ddb n VAL 175 N -5.36 0.00 -0.07 0.00 0.31 -0.69 -3.11 118.33 109.41 1ddb n VAL 175 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1ddb n VAL 175 Cb 0.33 -0.20 -0.05 0.00 -0.91 0.00 0.00 33.84 33.01 1ddb n VAL 175 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddb h ASN 176 N 0.00 0.00 0.57 4.52 7.08 0.89 -3.16 115.58 125.48 1ddb h ASN 176 Ca 0.00 -0.32 -0.03 0.00 -3.08 0.00 0.00 56.30 52.87 1ddb h ASN 176 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.25 1ddb h ASN 176 CO 0.00 0.85 -0.27 -0.26 -2.08 0.00 0.00 177.43 175.67 1ddb h PHE 177 N -1.00 -0.71 -0.52 4.14 -1.00 -1.37 0.32 116.94 116.81 1ddb h PHE 177 Ca -0.06 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.78 1ddb h PHE 177 Cb 0.59 0.23 -0.10 0.00 3.61 0.00 0.00 35.95 40.28 1ddb h PHE 177 CO 0.03 -0.43 -0.42 0.82 -1.61 0.00 0.00 178.31 176.69 1ddb h ILE 178 N -0.80 0.11 -0.75 -0.55 2.04 -1.76 16.88 117.51 132.68 1ddb h ILE 178 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1ddb h ILE 178 Cb 0.60 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1ddb h ILE 178 CO 0.13 0.00 0.49 -0.55 0.00 0.00 0.00 178.15 178.22 1ddb h ASN 179 N -0.26 0.81 -0.59 1.72 -1.07 -1.50 0.05 115.58 114.75 1ddb h ASN 179 Ca 0.17 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.52 1ddb h ASN 179 Cb 0.57 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1ddb h ASN 179 CO -0.64 0.57 0.00 1.67 0.07 0.00 0.00 177.43 179.10 1ddb n GLN 180 N -4.44 3.60 0.00 4.14 -0.06 0.20 -4.57 117.38 116.26 1ddb n GLN 180 Ca 0.09 -2.82 0.00 0.00 -2.00 0.00 0.00 57.00 52.27 1ddb n GLN 180 Cb 0.08 -1.83 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1ddb n ASN 181 N 0.94 0.00 -1.88 1.69 5.15 5.15 -4.90 115.26 121.42 1ddb n ASN 181 Ca 0.24 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 54.05 1ddb n ASN 181 Cb 0.85 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 40.22 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 5.73 -1.78 1.20 7.99 -1.26 -4.47 117.00 124.41 1ddb n LEU 182 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 56.01 52.97 1ddb n LEU 182 Cb 0.00 -0.76 0.00 0.00 -0.11 0.00 0.00 43.42 42.55 1ddb n LEU 182 CO 0.00 0.92 -0.02 0.33 -1.51 0.00 0.00 177.39 177.11 1ddb n PHE 183 N -0.62 0.00 -1.49 -1.77 7.35 -1.21 -4.29 117.46 115.42 1ddb n PHE 183 Ca 0.42 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1ddb n PHE 183 Cb 1.27 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 40.53 1ddb n PHE 183 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ddb n SER 184 N 1.85 -1.99 0.00 -2.13 2.88 -1.26 -4.83 113.62 108.14 1ddb n SER 184 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 184 Cb 0.02 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n TYR 185 N -1.25 0.00 -0.33 0.66 9.36 -1.26 -0.57 117.16 123.77 1ddb n TYR 185 Ca 0.00 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.45 1ddb n TYR 185 Cb 0.50 -0.15 0.46 0.00 -0.63 0.00 0.00 39.34 39.52 1ddb n TYR 185 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1ddb h VAL 186 N 0.00 0.27 -0.72 2.97 -1.51 -1.96 1.06 116.25 116.36 1ddb h VAL 186 Ca 0.00 -0.09 0.12 0.00 -1.23 0.00 0.00 66.70 65.49 1ddb h VAL 186 Cb 0.00 -0.03 -0.08 0.00 -2.13 0.00 0.00 31.29 29.05 1ddb h VAL 186 CO 0.00 0.05 0.31 -0.09 -1.23 0.00 0.00 177.57 176.61 1ddb h ARG 187 N 0.28 0.48 -0.39 5.19 2.43 -1.83 0.15 114.38 120.68 1ddb h ARG 187 Ca 0.72 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.84 1ddb h ARG 187 Cb 1.65 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 1ddb h ARG 187 CO -0.63 0.32 0.17 -0.91 -1.51 0.00 0.00 179.97 177.41 1ddb h ASN 188 N 0.50 0.53 0.05 -3.80 2.35 0.37 0.51 115.58 116.08 1ddb h ASN 188 Ca 0.37 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1ddb h ASN 188 Cb 0.49 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 1ddb h ASN 188 CO -0.34 0.54 -0.26 0.25 -1.65 0.00 0.00 177.43 175.97 1ddb h LEU 189 N 0.49 -0.74 -0.51 1.61 5.85 -0.33 0.31 115.31 121.99 1ddb h LEU 189 Ca 0.13 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ddb h LEU 189 Cb 0.16 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ddb h LEU 189 CO -0.01 -0.33 0.30 1.62 -0.34 0.00 0.00 178.44 179.68 1ddb h VAL 190 N -0.42 1.16 -0.67 1.05 3.04 -0.60 -1.78 116.25 118.02 1ddb h VAL 190 Ca 0.05 -0.35 0.11 0.00 -1.01 0.00 0.00 66.70 65.50 1ddb h VAL 190 Cb 0.48 0.48 -0.08 0.00 -2.01 0.00 0.00 31.29 30.16 1ddb h VAL 190 CO -0.19 0.16 0.25 -0.09 -1.01 0.00 0.00 177.57 176.68 1ddb h ARG 191 N 0.68 0.40 -0.45 4.17 1.12 0.79 -0.14 114.38 120.95 1ddb h ARG 191 Ca 0.18 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 1ddb h ARG 191 Cb -0.01 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 1ddb h ARG 191 CO -0.03 0.27 0.29 -0.97 -3.11 0.00 0.00 179.97 176.41 1ddb h ASN 192 N 0.41 0.52 -3.77 -3.80 -1.24 0.15 -3.35 115.58 104.50 1ddb h ASN 192 Ca 0.35 -0.02 -0.63 0.00 0.71 0.00 0.00 56.30 56.70 1ddb h ASN 192 Cb 0.47 -0.13 -0.40 0.00 0.73 0.00 0.00 38.32 38.99 1ddb h ASN 192 CO -0.35 0.39 -0.70 -0.70 -1.29 0.00 0.00 177.43 174.78 1ddb s GLU 193 N -6.12 1.46 -0.06 6.67 2.12 -0.16 -5.00 118.70 117.63 1ddb s GLU 193 Ca -0.13 -2.01 0.05 0.00 0.36 0.00 0.00 54.97 53.24 1ddb s GLU 193 Cb 0.11 -2.84 -0.00 0.00 0.26 0.00 0.00 34.13 31.66 1ddb s GLU 193 CO 0.73 -1.05 -0.21 1.41 -0.54 0.00 0.00 175.26 175.60 1ddb s MET 194 N 0.52 2.27 0.00 4.30 1.75 -0.66 -4.54 119.30 122.95 1ddb s MET 194 Ca 0.14 -0.75 0.00 0.00 -1.25 0.00 0.00 55.69 53.83 1ddb s MET 194 Cb -0.22 -1.89 0.00 0.00 2.84 0.00 0.00 34.83 35.55 1ddb s MET 194 CO -0.06 0.28 0.00 -0.40 -0.65 0.00 0.00 175.02 174.18