#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dba n SER 2 N 0.00 -3.36 -3.39 1.61 2.88 -1.26 -4.93 113.62 105.18 2dba n SER 2 Ca 0.00 -0.92 -0.12 0.00 -1.33 0.00 0.00 58.87 56.50 2dba n SER 2 Cb 0.00 -3.27 -0.03 0.00 -0.75 0.00 0.00 64.21 60.16 2dba n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dba s SER 3 N -3.49 0.43 0.31 -3.46 0.15 -1.26 -5.18 113.70 101.19 2dba s SER 3 Ca 0.58 -1.25 0.10 0.00 0.70 0.00 0.00 55.95 56.08 2dba s SER 3 Cb -0.31 0.69 -0.06 0.00 -1.71 0.00 0.00 66.02 64.63 2dba s SER 3 CO 0.88 -1.34 -0.13 -0.83 1.20 0.00 0.00 173.24 173.02 2dba s GLY 4 N -3.14 2.04 0.46 9.45 0.00 -1.26 -5.16 107.32 109.71 2dba s GLY 4 Ca 0.25 -1.99 0.03 0.00 0.00 0.00 0.00 44.72 43.00 2dba s GLY 4 CO 0.15 -1.99 0.06 -1.35 0.00 0.00 0.00 173.10 169.97 2dba s SER 5 N -3.55 3.50 -0.09 1.64 1.04 -1.26 -5.16 113.70 109.83 2dba s SER 5 Ca 0.31 -1.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.07 2dba s SER 5 Cb -0.00 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.61 2dba s SER 5 CO 0.15 -0.86 0.17 -0.55 0.98 0.00 0.00 173.24 173.14 2dba s SER 6 N -3.74 0.53 1.01 7.02 0.15 -1.26 -5.16 113.70 112.26 2dba s SER 6 Ca 0.16 0.36 -0.13 0.00 0.70 0.00 0.00 55.95 57.03 2dba s SER 6 Cb 0.03 0.30 0.20 0.00 -1.71 0.00 0.00 66.02 64.83 2dba s SER 6 CO 0.09 -0.22 1.11 -0.83 1.20 0.00 0.00 173.24 174.59 2dba s GLY 7 N 2.07 1.57 -0.14 9.45 0.00 -1.26 -5.08 107.32 113.93 2dba s GLY 7 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 2dba s GLY 7 CO -0.06 0.13 0.97 -0.29 0.00 0.00 0.00 173.10 173.85 2dba s MET 8 N -5.12 0.64 0.13 2.90 -2.45 -1.26 -5.18 119.30 108.96 2dba s MET 8 Ca 0.66 0.10 0.04 0.00 -1.25 0.00 0.00 55.69 55.24 2dba s MET 8 Cb -0.16 0.30 -0.04 0.00 1.25 0.00 0.00 34.83 36.18 2dba s MET 8 CO 0.56 -0.21 -0.10 -0.08 1.05 0.00 0.00 175.02 176.24 2dba s THR 9 N -1.36 1.11 -0.05 10.11 -1.32 -1.26 -5.16 115.64 117.70 2dba s THR 9 Ca -0.01 -1.95 0.04 0.00 -1.21 0.00 0.00 61.69 58.56 2dba s THR 9 Cb -0.00 -1.72 -0.00 0.00 -1.51 0.00 0.00 72.50 69.26 2dba s THR 9 CO 0.01 -0.70 -0.19 0.68 -2.21 0.00 0.00 174.62 172.21 2dba s VAL 10 N -3.10 1.59 -0.05 5.08 -7.23 -1.26 -5.13 120.40 110.29 2dba s VAL 10 Ca 0.14 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.57 2dba s VAL 10 Cb 0.01 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 2dba s VAL 10 CO 0.00 0.45 -0.23 -0.55 -0.31 0.00 0.00 175.10 174.46 2dba s SER 11 N 0.09 3.22 0.29 4.85 0.15 -1.26 -5.12 113.70 115.92 2dba s SER 11 Ca -0.06 -0.46 -0.28 0.00 0.70 0.00 0.00 55.95 55.84 2dba s SER 11 Cb -0.13 -0.78 -0.09 0.00 -1.71 0.00 0.00 66.02 63.30 2dba s SER 11 CO 0.03 0.27 0.99 -0.83 1.20 0.00 0.00 173.24 174.90 2dba s GLY 12 N -0.29 2.99 0.28 9.45 0.00 -1.26 -4.96 107.32 113.53 2dba s GLY 12 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 44.72 45.45 2dba s GLY 12 CO 0.03 1.20 1.66 -0.56 0.00 0.00 0.00 173.10 175.42 2dba h PRO 13 N 3.66 0.24 0.00 2.90 0.13 -2.08 -3.47 132.00 133.38 2dba h PRO 13 Ca -0.46 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2dba h PRO 13 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dba h PRO 13 CO 0.66 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 2dba n GLY 14 N -0.06 3.68 3.50 1.56 0.00 -1.26 -5.18 105.19 107.43 2dba n GLY 14 Ca -0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2dba n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dba s THR 15 N -0.58 0.01 0.23 2.61 -1.32 -1.26 -5.15 115.64 110.17 2dba s THR 15 Ca 0.00 -0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.14 2dba s THR 15 Cb 0.00 -0.88 -0.09 0.00 -1.51 0.00 0.00 72.50 70.02 2dba s THR 15 CO 0.00 -0.02 1.28 -2.16 -2.21 0.00 0.00 174.62 171.51 2dba s PRO 16 N -0.24 4.41 0.07 7.08 0.04 -1.26 -5.03 135.00 140.07 2dba s PRO 16 Ca -0.04 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 2dba s PRO 16 Cb -0.03 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.39 2dba s PRO 16 CO 0.04 -0.19 0.57 -1.21 0.04 0.00 0.00 177.00 176.25 2dba s GLU 17 N -0.55 1.12 0.55 4.56 8.01 -1.26 -5.16 118.70 125.97 2dba s GLU 17 Ca 0.54 -0.23 -0.19 0.00 0.01 0.00 0.00 54.97 55.10 2dba s GLU 17 Cb -0.36 0.51 -0.05 0.00 -4.31 0.00 0.00 34.13 29.92 2dba s GLU 17 CO 0.41 -0.43 1.13 -1.25 0.01 0.00 0.00 175.26 175.13 2dba s PRO 18 N -2.67 3.32 -0.18 0.39 0.04 -1.26 -4.88 135.00 129.76 2dba s PRO 18 Ca -0.04 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 2dba s PRO 18 Cb -0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2dba s PRO 18 CO -0.03 -0.88 0.35 0.50 0.04 0.00 0.00 177.00 176.98 2dba s ARG 19 N -3.35 4.22 0.00 4.56 3.52 -1.26 -5.09 118.95 121.56 2dba s ARG 19 Ca 0.72 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 2dba s ARG 19 Cb -0.24 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 2dba s ARG 19 CO 0.28 0.10 0.00 -0.35 -0.81 0.00 0.00 175.30 174.52 2dba n PRO 20 N 4.03 -0.52 -1.80 5.12 -0.04 -1.26 -4.95 135.00 135.57 2dba n PRO 20 Ca -0.10 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.96 2dba n PRO 20 Cb 0.51 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 2dba n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dba s ALA 21 N -2.98 3.32 -0.59 0.55 0.00 -1.26 -4.79 121.76 116.01 2dba s ALA 21 Ca 0.00 1.49 -0.34 0.00 0.00 0.00 0.00 51.96 53.11 2dba s ALA 21 Cb 0.00 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 2dba s ALA 21 CO 0.00 -1.16 2.37 2.41 0.00 0.00 0.00 175.76 179.38 2dba n THR 22 N -0.04 0.05 -0.08 0.00 -1.04 -1.26 -4.80 114.28 107.11 2dba n THR 22 Ca 0.04 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 61.70 2dba n THR 22 Cb 0.41 -1.33 0.02 0.00 -1.82 0.00 0.00 70.33 67.62 2dba n THR 22 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2dba h PRO 23 N 13.03 0.80 0.00 -2.82 0.13 -1.93 -3.49 132.00 137.72 2dba h PRO 23 Ca -0.17 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2dba h PRO 23 Cb 1.32 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2dba h PRO 23 CO 1.16 1.05 0.00 0.41 -0.23 0.00 0.00 178.00 180.40 2dba n GLY 24 N 0.09 3.45 2.57 1.56 0.00 -1.26 -5.03 105.19 106.57 2dba n GLY 24 Ca -0.02 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2dba n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba n ALA 25 N -3.00 6.05 -3.91 4.61 0.00 -1.26 -4.92 120.51 118.08 2dba n ALA 25 Ca 0.00 -3.94 -0.33 0.00 0.00 0.00 0.00 53.44 49.17 2dba n ALA 25 Cb 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 2dba n ALA 25 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dba s SER 26 N -2.02 4.81 -0.18 0.00 1.04 -1.26 -4.52 113.70 111.59 2dba s SER 26 Ca 0.55 -1.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.13 2dba s SER 26 Cb 0.45 -1.67 0.08 0.00 0.10 0.00 0.00 66.02 64.98 2dba s SER 26 CO -0.21 -0.34 0.38 -0.44 0.98 0.00 0.00 173.24 173.60 2dba s SER 27 N 1.20 -0.16 0.60 7.02 0.01 -1.26 -4.94 113.70 116.18 2dba s SER 27 Ca 0.03 0.88 0.30 0.00 1.31 0.00 0.00 55.95 58.46 2dba s SER 27 Cb -0.20 1.10 1.03 0.00 0.21 0.00 0.00 66.02 68.16 2dba s SER 27 CO -0.05 -0.23 1.34 1.62 0.41 0.00 0.00 173.24 176.33 2dba h VAL 28 N 6.10 0.00 0.11 3.43 3.04 -1.89 1.35 116.25 128.40 2dba h VAL 28 Ca -0.19 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.32 2dba h VAL 28 Cb 1.12 0.00 0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2dba h VAL 28 CO 0.15 0.00 -0.85 -0.08 -1.01 0.00 0.00 177.57 175.79 2dba h GLU 29 N 0.00 0.24 0.00 4.17 4.81 -1.94 -3.27 114.58 118.59 2dba h GLU 29 Ca 0.56 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2dba h GLU 29 Cb 3.06 0.15 0.00 0.00 0.63 0.00 0.00 28.75 32.59 2dba h GLU 29 CO -0.01 1.20 -0.12 0.37 -0.73 0.00 0.00 179.01 179.72 2dba h GLN 30 N -0.46 0.00 -1.60 1.92 5.75 0.11 -3.35 115.11 117.48 2dba h GLN 30 Ca -0.16 0.00 0.47 0.00 -0.15 0.00 0.00 58.65 58.80 2dba h GLN 30 Cb 1.58 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.06 2dba h GLN 30 CO 0.10 0.00 1.28 1.37 -2.65 0.00 0.00 178.83 178.94 2dba h LEU 31 N -0.49 0.00 -0.97 -2.39 8.10 -0.37 -0.63 115.31 118.55 2dba h LEU 31 Ca 0.00 0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.13 2dba h LEU 31 Cb 0.12 0.00 -0.15 0.00 -0.44 0.00 0.00 40.66 40.19 2dba h LEU 31 CO 0.00 0.00 -0.42 -0.09 -4.11 0.00 0.00 178.44 173.82 2dba h ARG 32 N 0.00 -0.01 -0.84 0.17 2.43 -1.64 0.59 114.38 115.08 2dba h ARG 32 Ca 0.76 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 60.14 2dba h ARG 32 Cb 3.32 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 32.74 2dba h ARG 32 CO -0.01 -0.01 0.24 0.87 -1.51 0.00 0.00 179.97 179.55 2dba h LYS 33 N -0.01 0.25 -0.98 0.20 1.57 -1.35 0.12 116.57 116.37 2dba h LYS 33 Ca 0.31 -0.02 0.35 0.00 -1.87 0.00 0.00 60.65 59.42 2dba h LYS 33 Cb 0.56 -0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.65 2dba h LYS 33 CO -0.96 0.17 0.41 1.49 -0.57 0.00 0.00 179.45 179.98 2dba h GLU 34 N 0.26 0.10 0.33 3.15 4.57 0.02 0.22 114.58 123.22 2dba h GLU 34 Ca 0.51 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.66 2dba h GLU 34 Cb 0.96 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2dba h GLU 34 CO -0.59 0.07 -0.16 0.78 -1.18 0.00 0.00 179.01 177.93 2dba h GLY 35 N 0.10 -0.46 -0.08 1.92 0.00 -0.77 -2.84 103.07 100.95 2dba h GLY 35 Ca 0.74 0.17 0.13 0.00 0.00 0.00 0.00 47.33 48.37 2dba h GLY 35 CO -0.75 -0.17 0.01 3.43 0.00 0.00 0.00 176.54 179.07 2dba h ASN 36 N -0.57 -0.26 -1.01 0.19 2.35 -1.34 0.17 115.58 115.12 2dba h ASN 36 Ca -0.04 0.15 0.23 0.00 -0.55 0.00 0.00 56.30 56.09 2dba h ASN 36 Cb 0.33 0.27 -0.11 0.00 0.05 0.00 0.00 38.32 38.87 2dba h ASN 36 CO 0.07 -0.11 0.62 -0.33 -1.65 0.00 0.00 177.43 176.03 2dba h GLU 37 N 0.13 0.55 0.00 0.81 5.08 -0.66 0.84 114.58 121.34 2dba h GLU 37 Ca 0.33 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2dba h GLU 37 Cb 0.54 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2dba h GLU 37 CO -0.53 0.37 0.00 -0.07 -1.00 0.00 0.00 179.01 177.77 2dba h LEU 38 N 0.57 0.00 0.04 1.33 3.38 -0.45 -3.28 115.31 116.89 2dba h LEU 38 Ca 0.60 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.52 2dba h LEU 38 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2dba h LEU 38 CO -0.38 0.00 -0.24 0.15 0.09 0.00 0.00 178.44 178.06 2dba h PHE 39 N 0.00 0.17 0.00 1.13 3.57 0.16 -0.74 116.94 121.23 2dba h PHE 39 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2dba h PHE 39 Cb 0.89 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2dba h PHE 39 CO 0.00 1.07 0.00 0.36 -2.23 0.00 0.00 178.31 177.51 2dba n LYS 40 N -4.48 0.00 -0.01 1.11 2.85 -0.03 -0.59 118.16 117.01 2dba n LYS 40 Ca -0.11 0.46 0.08 0.00 -1.05 0.00 0.00 58.31 57.69 2dba n LYS 40 Cb 0.57 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.33 2dba n LYS 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dba n GLY 42 N 1.60 2.32 3.52 0.00 0.00 0.24 -5.03 105.19 107.85 2dba n GLY 42 Ca -0.02 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2dba n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dba n ASP 43 N 0.20 0.45 -0.04 1.61 9.92 -0.32 -4.75 116.55 123.63 2dba n ASP 43 Ca 0.00 -0.35 -0.16 0.00 -0.53 0.00 0.00 54.79 53.76 2dba n ASP 43 Cb 0.00 -1.05 -0.13 0.00 -0.64 0.00 0.00 41.12 39.30 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2dba h TYR 44 N 13.41 0.13 -1.01 1.24 0.05 -1.94 -2.52 116.97 126.34 2dba h TYR 44 Ca -0.06 -0.10 0.27 0.00 0.05 0.00 0.00 58.73 58.89 2dba h TYR 44 Cb 1.22 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.89 2dba h TYR 44 CO 1.15 1.09 0.68 0.78 -1.05 0.00 0.00 178.16 180.82 2dba h GLY 45 N -0.84 0.63 0.00 3.88 0.00 -1.96 -2.22 103.07 102.56 2dba h GLY 45 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2dba h GLY 45 CO 0.03 -0.05 -0.33 -1.33 0.00 0.00 0.00 176.54 174.86 2dba h GLY 46 N 0.23 0.00 -1.19 4.60 0.00 -1.94 -3.17 103.07 101.60 2dba h GLY 46 Ca 0.52 0.00 0.42 0.00 0.00 0.00 0.00 47.33 48.28 2dba h GLY 46 CO -0.15 0.00 0.75 0.00 0.00 0.00 0.00 176.54 177.14 2dba n ALA 47 N -3.30 1.18 -0.02 3.60 0.00 -0.95 0.13 120.51 121.15 2dba n ALA 47 Ca -0.05 0.80 -0.15 0.00 0.00 0.00 0.00 53.44 54.04 2dba n ALA 47 Cb 0.18 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 2dba n ALA 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dba h LEU 48 N 0.00 0.27 -0.97 0.00 7.12 -1.56 -3.17 115.31 117.01 2dba h LEU 48 Ca 0.79 -0.76 0.23 0.00 0.13 0.00 0.00 57.88 58.26 2dba h LEU 48 Cb 2.47 -0.08 -0.12 0.00 -0.53 0.00 0.00 40.66 42.40 2dba h LEU 48 CO -0.46 1.00 0.54 0.00 -0.13 0.00 0.00 178.44 179.39 2dba h ALA 49 N 0.28 1.66 0.11 1.25 0.00 0.11 -0.78 119.26 121.89 2dba h ALA 49 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dba h ALA 49 Cb 1.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2dba h ALA 49 CO 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 179.25 179.00 2dba h ALA 50 N 1.71 -0.15 -0.62 0.00 0.00 -1.41 -2.69 119.26 116.10 2dba h ALA 50 Ca 0.61 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.57 2dba h ALA 50 Cb 1.12 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2dba h ALA 50 CO -0.47 -0.49 0.44 1.88 0.00 0.00 0.00 179.25 180.61 2dba h TYR 51 N -0.33 0.08 0.73 0.00 0.05 -1.14 -2.16 116.97 114.20 2dba h TYR 51 Ca -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2dba h TYR 51 Cb 0.27 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 37.99 2dba h TYR 51 CO -0.01 0.03 -0.35 1.15 -1.05 0.00 0.00 178.16 177.93 2dba h THR 52 N 0.07 0.25 -0.02 -2.88 2.02 -0.99 -2.70 112.91 108.67 2dba h THR 52 Ca 0.30 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.43 2dba h THR 52 Cb 1.09 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 2dba h THR 52 CO -0.02 0.01 -0.31 1.56 0.37 0.00 0.00 175.52 177.12 2dba h GLN 53 N -1.04 -0.44 -0.86 6.66 4.20 -1.33 -0.45 115.11 121.85 2dba h GLN 53 Ca -0.10 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.75 2dba h GLN 53 Cb 0.76 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.51 2dba h GLN 53 CO 0.16 -0.29 -0.48 0.00 -0.67 0.00 0.00 178.83 177.55 2dba h ALA 54 N 0.30 -0.26 -0.81 3.87 0.00 -1.49 0.27 119.26 121.14 2dba h ALA 54 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dba h ALA 54 Cb 0.55 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 2dba h ALA 54 CO -0.27 -0.82 0.51 -0.07 0.00 0.00 0.00 179.25 178.60 2dba h LEU 55 N -0.08 0.96 -1.22 0.00 3.38 -1.12 -2.44 115.31 114.78 2dba h LEU 55 Ca 0.22 -0.05 0.28 0.00 0.09 0.00 0.00 57.88 58.43 2dba h LEU 55 Cb 0.52 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 2dba h LEU 55 CO -0.88 0.72 0.66 1.23 0.09 0.00 0.00 178.44 180.26 2dba h GLY 56 N 1.11 1.52 -2.54 0.83 0.00 0.12 -3.41 103.07 100.71 2dba h GLY 56 Ca 0.29 -0.23 -0.46 0.00 0.00 0.00 0.00 47.33 46.93 2dba h GLY 56 CO -0.06 -0.24 0.37 1.08 0.00 0.00 0.00 176.54 177.69 2dba s LEU 57 N -9.92 4.11 -0.99 3.11 1.43 -0.89 -4.93 118.68 110.60 2dba s LEU 57 Ca -0.09 1.85 -0.24 0.00 -1.03 0.00 0.00 54.13 54.62 2dba s LEU 57 Cb 0.27 -4.29 -0.07 0.00 0.03 0.00 0.00 46.19 42.13 2dba s LEU 57 CO 0.80 -0.35 1.98 -1.81 0.23 0.00 0.00 176.35 177.20 2dba s ASP 58 N -1.82 4.97 0.30 2.29 1.01 -1.26 -4.93 116.67 117.23 2dba s ASP 58 Ca 0.58 -0.97 0.07 0.00 0.71 0.00 0.00 52.55 52.94 2dba s ASP 58 Cb -0.16 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 2dba s ASP 58 CO 0.21 -2.99 0.33 0.00 0.21 0.00 0.00 175.17 172.92 2dba s ALA 59 N 10.91 3.90 0.83 5.23 0.00 -1.26 -5.10 121.76 136.26 2dba s ALA 59 Ca 0.71 -1.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 2dba s ALA 59 Cb -0.05 -1.42 0.09 0.00 0.00 0.00 0.00 23.12 21.74 2dba s ALA 59 CO 0.05 0.09 1.11 0.95 0.00 0.00 0.00 175.76 177.96 2dba s THR 60 N -2.18 2.88 -0.84 0.00 -4.23 -1.26 -4.84 115.64 105.17 2dba s THR 60 Ca 0.39 0.29 0.17 0.00 -1.18 0.00 0.00 61.69 61.36 2dba s THR 60 Cb -0.08 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.29 2dba s THR 60 CO 0.28 -0.38 1.53 -0.81 -0.54 0.00 0.00 174.62 174.71 2dba n PRO 61 N -3.78 0.06 0.07 3.99 -0.04 -1.26 -2.31 135.00 131.73 2dba n PRO 61 Ca 0.10 0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.84 2dba n PRO 61 Cb 0.53 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 2dba n PRO 61 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2dba h GLN 62 N 0.00 0.00 0.06 0.54 5.75 -1.92 -3.31 115.11 116.22 2dba h GLN 62 Ca 0.00 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.23 2dba h GLN 62 Cb 0.28 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 2dba h GLN 62 CO 0.00 0.63 -1.46 0.22 -2.65 0.00 0.00 178.83 175.57 2dba h ASP 63 N 0.00 0.19 -0.44 -0.69 3.58 -1.84 -3.38 116.42 113.84 2dba h ASP 63 Ca -0.08 -0.72 0.05 0.00 0.42 0.00 0.00 57.03 56.70 2dba h ASP 63 Cb 1.65 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.55 2dba h ASP 63 CO 0.09 1.61 -0.52 1.56 -2.88 0.00 0.00 179.24 179.10 2dba h GLN 64 N -0.56 -0.31 -0.95 0.28 4.20 -1.62 0.45 115.11 116.61 2dba h GLN 64 Ca -0.35 0.02 0.28 0.00 0.06 0.00 0.00 58.65 58.66 2dba h GLN 64 Cb 1.59 0.07 -0.18 0.00 0.30 0.00 0.00 27.48 29.27 2dba h GLN 64 CO -0.07 -0.21 0.07 0.00 -0.67 0.00 0.00 178.83 177.96 2dba n ALA 65 N -3.07 0.53 -0.17 3.87 0.00 -1.25 0.21 120.51 120.64 2dba n ALA 65 Ca -0.03 1.01 -0.01 0.00 0.00 0.00 0.00 53.44 54.42 2dba n ALA 65 Cb 0.30 -0.77 0.24 0.00 0.00 0.00 0.00 19.45 19.22 2dba n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dba h VAL 66 N 0.00 1.20 0.01 0.00 2.07 -1.10 -2.02 116.25 116.40 2dba h VAL 66 Ca 0.60 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2dba h VAL 66 Cb 1.28 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2dba h VAL 66 CO -0.88 0.23 -0.00 -0.07 0.02 0.00 0.00 177.57 176.87 2dba h LEU 67 N 0.90 -0.01 -0.57 2.57 3.38 0.30 -2.78 115.31 119.10 2dba h LEU 67 Ca 0.23 -0.74 0.12 0.00 0.09 0.00 0.00 57.88 57.57 2dba h LEU 67 Cb 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 2dba h LEU 67 CO -0.03 0.74 -0.08 0.45 0.09 0.00 0.00 178.44 179.61 2dba h HIS 68 N -0.76 -0.19 0.00 1.13 3.86 -0.41 0.37 115.15 119.15 2dba h HIS 68 Ca -0.00 0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 2dba h HIS 68 Cb 0.74 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 2dba h HIS 68 CO 0.19 -0.20 -0.22 0.07 0.86 0.00 0.00 177.93 178.63 2dba h ARG 69 N 0.05 0.00 -0.03 2.45 0.11 -1.46 -2.41 114.38 113.09 2dba h ARG 69 Ca 0.28 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.19 2dba h ARG 69 Cb 0.44 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 2dba h ARG 69 CO -0.54 0.22 -0.75 -0.91 0.10 0.00 0.00 179.97 178.08 2dba h ASN 70 N 0.00 0.25 -0.32 0.08 4.21 -0.09 -3.23 115.58 116.49 2dba h ASN 70 Ca -0.00 -0.18 -0.16 0.00 1.21 0.00 0.00 56.30 57.17 2dba h ASN 70 Cb 0.47 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.59 2dba h ASN 70 CO 0.03 0.91 -0.43 0.03 -1.29 0.00 0.00 177.43 176.68 2dba h ARG 71 N 0.13 0.85 -0.97 0.81 3.08 -0.42 -3.01 114.38 114.85 2dba h ARG 71 Ca -0.03 -0.49 0.28 0.00 0.07 0.00 0.00 59.98 59.82 2dba h ARG 71 Cb 1.33 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.37 2dba h ARG 71 CO 0.11 1.13 0.71 0.00 -1.07 0.00 0.00 179.97 180.86 2dba h ALA 72 N 0.71 2.91 0.41 0.04 0.00 -1.50 -2.14 119.26 119.69 2dba h ALA 72 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dba h ALA 72 Cb 1.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2dba h ALA 72 CO 0.10 -1.21 -0.20 0.00 0.00 0.00 0.00 179.25 177.94 2dba h ALA 73 N 1.49 -0.84 -0.66 0.00 0.00 -1.63 -2.86 119.26 114.76 2dba h ALA 73 Ca 0.46 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2dba h ALA 73 Cb 1.88 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 19.77 2dba h ALA 73 CO -0.00 -0.80 -0.40 0.00 0.00 0.00 0.00 179.25 178.04 2dba h HIS 75 N -0.16 -1.48 -1.39 0.00 3.86 -1.55 0.43 115.15 114.86 2dba h HIS 75 Ca 0.22 0.08 0.46 0.00 -1.16 0.00 0.00 60.37 59.97 2dba h HIS 75 Cb 0.56 0.71 -0.13 0.00 1.06 0.00 0.00 27.41 29.61 2dba h HIS 75 CO -0.73 -0.39 0.91 -0.07 0.86 0.00 0.00 177.93 178.51 2dba h LEU 76 N -0.26 0.21 0.05 2.43 3.38 -1.06 1.82 115.31 121.89 2dba h LEU 76 Ca 0.08 0.13 -0.25 0.00 0.09 0.00 0.00 57.88 57.93 2dba h LEU 76 Cb 0.47 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2dba h LEU 76 CO -0.57 -0.19 -1.17 0.11 0.09 0.00 0.00 178.44 176.71 2dba h LYS 77 N 0.06 0.11 -1.44 1.13 1.79 -0.02 -3.31 116.57 114.89 2dba h LYS 77 Ca 0.84 -0.20 -0.55 0.00 -2.18 0.00 0.00 60.65 58.57 2dba h LYS 77 Cb 2.74 0.07 -0.22 0.00 -1.58 0.00 0.00 32.23 33.24 2dba h LYS 77 CO -0.39 1.05 0.69 1.28 -1.08 0.00 0.00 179.45 181.00 2dba n LEU 78 N -3.40 7.12 -4.31 2.94 4.77 0.60 -4.85 117.00 119.88 2dba n LEU 78 Ca -0.05 -4.01 -0.34 0.00 -0.03 0.00 0.00 56.01 51.58 2dba n LEU 78 Cb 0.98 -1.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2dba n LEU 78 CO 0.50 1.46 -0.31 -0.62 -1.33 0.00 0.00 177.39 177.09 2dba n GLU 79 N -0.21 -1.50 -1.88 3.23 1.02 -0.90 -4.83 120.64 115.57 2dba n GLU 79 Ca 0.49 0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 57.68 2dba n GLU 79 Cb 0.56 -4.18 0.06 0.00 -0.02 0.00 0.00 31.44 27.86 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dba n ASP 80 N -2.77 3.67 -0.36 1.62 8.00 -0.06 -4.83 116.55 121.81 2dba n ASP 80 Ca -0.17 -3.43 0.09 0.00 0.71 0.00 0.00 54.79 51.99 2dba n ASP 80 Cb 0.61 -0.39 0.26 0.00 -0.02 0.00 0.00 41.12 41.58 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 81 N 1.99 1.12 -0.40 1.24 -1.99 -1.84 -1.66 116.97 115.43 2dba h TYR 81 Ca 0.20 0.03 0.06 0.00 2.00 0.00 0.00 58.73 61.02 2dba h TYR 81 Cb 1.42 -0.35 -0.08 0.00 2.00 0.00 0.00 36.73 39.71 2dba h TYR 81 CO 0.75 0.39 -0.52 0.22 -0.00 0.00 0.00 178.16 179.00 2dba h ASP 82 N 0.93 -1.74 -0.44 3.88 1.82 -1.93 -1.57 116.42 117.37 2dba h ASP 82 Ca 0.52 0.24 -0.05 0.00 -0.39 0.00 0.00 57.03 57.35 2dba h ASP 82 Cb 0.60 0.73 -0.02 0.00 0.68 0.00 0.00 39.33 41.32 2dba h ASP 82 CO -0.29 -0.40 0.09 0.11 -1.61 0.00 0.00 179.24 177.14 2dba h LYS 83 N -0.38 0.71 -0.88 0.28 1.57 -1.85 -3.02 116.57 113.00 2dba h LYS 83 Ca 0.09 -0.18 0.29 0.00 -1.87 0.00 0.00 60.65 58.98 2dba h LYS 83 Cb 0.60 -0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.66 2dba h LYS 83 CO -0.59 0.72 0.19 0.00 -0.57 0.00 0.00 179.45 179.20 2dba n ALA 84 N -2.37 0.62 0.38 3.86 0.00 -0.62 0.04 120.51 122.42 2dba n ALA 84 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 53.44 54.19 2dba n ALA 84 Cb 0.22 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 2dba n ALA 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dba h GLU 85 N 0.00 -0.92 0.23 0.00 4.81 -1.33 -2.36 114.58 115.00 2dba h GLU 85 Ca 0.61 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.92 2dba h GLU 85 Cb 1.42 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.98 2dba h GLU 85 CO -0.77 -0.60 -0.42 1.15 -0.73 0.00 0.00 179.01 177.64 2dba h THR 86 N -1.02 0.16 -0.73 0.32 2.02 -0.48 -2.81 112.91 110.37 2dba h THR 86 Ca -0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.17 2dba h THR 86 Cb 0.75 0.16 -0.11 0.00 -1.74 0.00 0.00 68.15 67.21 2dba h THR 86 CO 0.16 0.00 -0.51 -0.33 0.37 0.00 0.00 175.52 175.21 2dba h GLU 87 N -0.72 -0.16 -0.88 6.66 4.39 -1.01 0.83 114.58 123.69 2dba h GLU 87 Ca -0.00 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.88 2dba h GLU 87 Cb 0.70 0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 29.22 2dba h GLU 87 CO -0.18 -0.11 -0.24 0.00 -1.16 0.00 0.00 179.01 177.32 2dba h ALA 88 N 0.51 0.50 -0.61 3.43 0.00 -1.17 0.40 119.26 122.32 2dba h ALA 88 Ca 0.17 0.33 0.07 0.00 0.00 0.00 0.00 54.91 55.47 2dba h ALA 88 Cb 0.52 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2dba h ALA 88 CO -0.79 -0.43 0.30 0.77 0.00 0.00 0.00 179.25 179.10 2dba h SER 89 N -0.01 0.41 0.12 0.00 0.02 -0.65 0.83 113.55 114.28 2dba h SER 89 Ca 0.41 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2dba h SER 89 Cb 0.64 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 2dba h SER 89 CO -0.90 0.27 -0.01 0.11 -1.14 0.00 0.00 176.83 175.15 2dba h LYS 90 N 0.56 0.00 -0.00 3.45 1.57 0.46 0.10 116.57 122.71 2dba h LYS 90 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2dba h LYS 90 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2dba h LYS 90 CO -0.21 0.01 -0.48 0.00 -0.57 0.00 0.00 179.45 178.20 2dba n ALA 91 N -2.14 3.54 -0.05 3.86 0.00 0.22 -4.13 120.51 121.81 2dba n ALA 91 Ca -0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 2dba n ALA 91 Cb 0.11 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 2dba n ALA 91 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dba n ILE 92 N -1.13 1.67 -0.03 0.00 5.41 0.31 -4.39 119.36 121.21 2dba n ILE 92 Ca 0.08 -0.47 -0.09 0.00 1.00 0.00 0.00 62.75 63.27 2dba n ILE 92 Cb 0.35 -1.79 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 2dba n ILE 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2dba h GLU 93 N -0.27 -0.21 0.00 0.38 4.11 -1.60 1.10 114.58 118.08 2dba h GLU 93 Ca -0.44 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2dba h GLU 93 Cb 1.81 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2dba h GLU 93 CO -0.04 -0.14 0.00 1.63 0.07 0.00 0.00 179.01 180.53 2dba n LYS 94 N -5.34 0.00 0.01 1.06 4.01 -1.26 -3.40 118.16 113.24 2dba n LYS 94 Ca -0.02 0.81 -0.02 0.00 -0.51 0.00 0.00 58.31 58.57 2dba n LYS 94 Cb 0.26 -1.24 -0.01 0.00 -0.51 0.00 0.00 35.03 33.53 2dba n LYS 94 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2dba h ASP 95 N 0.00 -0.10 0.00 4.39 1.82 -1.74 -3.48 116.42 117.30 2dba h ASP 95 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2dba h ASP 95 Cb 0.00 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2dba h ASP 95 CO 0.00 0.30 0.00 0.61 -1.61 0.00 0.00 179.24 178.54 2dba n GLY 96 N 1.45 3.48 2.53 -0.78 0.00 0.38 -4.91 105.19 107.33 2dba n GLY 96 Ca -0.02 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 2dba n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dba n GLY 97 N 0.00 5.95 3.59 -0.02 0.00 -1.26 -4.87 105.19 108.57 2dba n GLY 97 Ca 0.00 -2.71 -0.38 0.00 0.00 0.00 0.00 46.02 42.92 2dba n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dba s ASP 98 N -3.12 6.05 0.13 1.61 2.15 -1.26 -4.95 116.67 117.29 2dba s ASP 98 Ca 0.49 -0.01 0.15 0.00 0.43 0.00 0.00 52.55 53.61 2dba s ASP 98 Cb 0.41 -2.13 -0.08 0.00 -0.30 0.00 0.00 42.92 40.81 2dba s ASP 98 CO -0.22 -0.08 1.06 -0.37 -0.17 0.00 0.00 175.17 175.39 2dba h VAL 99 N 5.38 0.76 -0.85 1.11 -1.51 -1.95 -3.28 116.25 115.92 2dba h VAL 99 Ca -0.34 -2.26 0.15 0.00 -1.23 0.00 0.00 66.70 63.02 2dba h VAL 99 Cb 1.18 2.27 -0.10 0.00 -2.13 0.00 0.00 31.29 32.51 2dba h VAL 99 CO 0.57 0.44 0.42 0.11 -1.23 0.00 0.00 177.57 177.88 2dba h LYS 100 N 0.00 0.57 0.12 5.19 1.79 -1.99 -0.91 116.57 121.34 2dba h LYS 100 Ca -0.10 -0.03 -0.29 0.00 -2.18 0.00 0.00 60.65 58.04 2dba h LYS 100 Cb 1.57 -0.13 0.02 0.00 -1.58 0.00 0.00 32.23 32.11 2dba h LYS 100 CO 0.06 0.38 -1.23 0.00 -1.08 0.00 0.00 179.45 177.58 2dba h ALA 101 N 1.57 0.04 0.20 3.86 0.00 -1.92 -3.32 119.26 119.70 2dba h ALA 101 Ca 0.47 -0.79 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2dba h ALA 101 Cb 0.70 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2dba h ALA 101 CO -0.38 0.74 -0.43 -0.07 0.00 0.00 0.00 179.25 179.11 2dba h LEU 102 N 0.24 -1.26 -1.43 0.00 3.38 -1.33 -0.74 115.31 114.17 2dba h LEU 102 Ca -0.17 0.13 0.33 0.00 0.09 0.00 0.00 57.88 58.26 2dba h LEU 102 Cb 1.90 0.46 -0.10 0.00 0.09 0.00 0.00 40.66 43.01 2dba h LEU 102 CO 0.23 -0.52 0.75 0.22 0.09 0.00 0.00 178.44 179.20 2dba h TYR 103 N -0.72 0.56 -0.15 1.13 3.20 -1.34 0.25 116.97 119.90 2dba h TYR 103 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 2dba h TYR 103 Cb 0.71 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.83 2dba h TYR 103 CO -0.34 -0.03 -0.26 0.00 -1.64 0.00 0.00 178.16 175.89 2dba h ARG 104 N 0.26 0.44 -0.33 1.82 3.08 -1.30 -3.27 114.38 115.07 2dba h ARG 104 Ca 0.67 -0.27 0.07 0.00 0.07 0.00 0.00 59.98 60.52 2dba h ARG 104 Cb 1.93 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.92 2dba h ARG 104 CO -0.31 0.87 -0.24 -0.09 -1.07 0.00 0.00 179.97 179.13 2dba h ARG 105 N 0.05 -0.19 -0.74 0.04 2.43 0.85 -1.62 114.38 115.20 2dba h ARG 105 Ca 0.01 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.34 2dba h ARG 105 Cb 0.84 0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.30 2dba h ARG 105 CO 0.06 -0.13 -0.19 0.66 -1.51 0.00 0.00 179.97 178.86 2dba h SER 106 N -0.20 -0.71 -0.90 -3.80 4.64 -1.50 -0.15 113.55 110.92 2dba h SER 106 Ca 0.17 0.22 0.16 0.00 -0.47 0.00 0.00 61.79 61.87 2dba h SER 106 Cb 0.46 0.46 -0.16 0.00 -0.31 0.00 0.00 62.40 62.86 2dba h SER 106 CO -0.45 -0.25 -0.29 0.00 -0.87 0.00 0.00 176.83 174.97 2dba n GLN 107 N -5.49 -0.15 0.22 4.77 6.02 -0.61 -0.78 117.38 121.36 2dba n GLN 107 Ca 0.10 1.40 -0.14 0.00 -0.01 0.00 0.00 57.00 58.35 2dba n GLN 107 Cb 0.38 -2.08 -0.08 0.00 1.02 0.00 0.00 30.24 29.48 2dba n GLN 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dba h ALA 108 N 1.51 -0.57 -1.00 -1.58 0.00 -1.09 -2.78 119.26 113.76 2dba h ALA 108 Ca 0.37 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.27 2dba h ALA 108 Cb 0.60 0.22 -0.17 0.00 0.00 0.00 0.00 17.79 18.43 2dba h ALA 108 CO -0.91 -0.67 -0.33 1.28 0.00 0.00 0.00 179.25 178.62 2dba n LEU 109 N -5.22 -0.53 0.14 0.00 4.77 0.04 0.21 117.00 116.42 2dba n LEU 109 Ca -0.10 1.73 0.05 0.00 -0.03 0.00 0.00 56.01 57.66 2dba n LEU 109 Cb 0.29 -0.45 0.50 0.00 -2.33 0.00 0.00 43.42 41.44 2dba n LEU 109 CO 0.30 -1.59 1.04 -0.33 -1.33 0.00 0.00 177.39 175.48 2dba h GLU 110 N 0.00 0.22 -0.15 3.23 4.39 -1.07 -1.35 114.58 119.85 2dba h GLU 110 Ca 0.40 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.87 2dba h GLU 110 Cb 0.65 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2dba h GLU 110 CO -1.00 0.21 -0.74 0.87 -1.16 0.00 0.00 179.01 177.19 2dba h LYS 111 N 0.22 0.71 -0.05 2.33 1.79 0.27 -2.95 116.57 118.90 2dba h LYS 111 Ca 0.06 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2dba h LYS 111 Cb 0.10 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2dba h LYS 111 CO -0.00 1.18 0.00 1.28 -1.08 0.00 0.00 179.45 180.82 2dba n LEU 112 N -3.92 0.55 0.00 2.94 4.77 0.88 -4.91 117.00 117.31 2dba n LEU 112 Ca -0.06 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2dba n LEU 112 Cb 0.72 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2dba n LEU 112 CO 0.51 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2dba n GLY 113 N 0.93 2.37 3.51 -0.72 0.00 -0.57 -4.95 105.19 105.77 2dba n GLY 113 Ca 0.16 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2dba n GLY 113 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dba n ARG 114 N 0.00 0.14 -0.02 1.61 1.85 -0.95 -4.65 116.66 114.64 2dba n ARG 114 Ca 0.00 -0.20 -0.21 0.00 -1.00 0.00 0.00 57.85 56.44 2dba n ARG 114 Cb 0.00 -1.69 -0.14 0.00 -1.05 0.00 0.00 32.46 29.59 2dba n ARG 114 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2dba n LEU 115 N 8.95 2.67 -0.24 2.89 4.77 -1.26 -3.77 117.00 131.00 2dba n LEU 115 Ca 0.63 0.16 0.32 0.00 -0.03 0.00 0.00 56.01 57.09 2dba n LEU 115 Cb 0.21 -1.09 0.73 0.00 -2.33 0.00 0.00 43.42 40.94 2dba n LEU 115 CO 0.96 0.85 1.29 0.44 -1.33 0.00 0.00 177.39 179.60 2dba h ASP 116 N 0.03 0.00 0.04 -1.43 3.32 -1.97 -0.02 116.42 116.39 2dba h ASP 116 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 2dba h ASP 116 Cb 1.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.54 2dba h ASP 116 CO 0.05 0.00 -0.45 1.56 -1.72 0.00 0.00 179.24 178.68 2dba h GLN 117 N 0.00 0.08 -0.96 3.56 7.50 -1.95 -3.29 115.11 120.05 2dba h GLN 117 Ca 0.49 -0.14 0.30 0.00 0.50 0.00 0.00 58.65 59.80 2dba h GLN 117 Cb 2.08 0.05 -0.17 0.00 0.05 0.00 0.00 27.48 29.50 2dba h GLN 117 CO -0.01 1.06 0.25 0.00 -1.50 0.00 0.00 178.83 178.64 2dba h ALA 118 N -0.06 1.49 -0.45 3.87 0.00 -1.09 0.58 119.26 123.60 2dba h ALA 118 Ca -0.10 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2dba h ALA 118 Cb 1.23 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2dba h ALA 118 CO 0.01 -0.62 0.15 0.28 0.00 0.00 0.00 179.25 179.06 2dba h VAL 119 N 0.10 1.22 0.00 0.00 2.07 -1.62 0.94 116.25 118.96 2dba h VAL 119 Ca 0.65 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2dba h VAL 119 Cb 1.46 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2dba h VAL 119 CO -0.78 0.25 -0.17 -0.07 0.02 0.00 0.00 177.57 176.83 2dba h LEU 120 N 0.58 0.00 0.06 2.57 3.38 -0.01 0.25 115.31 122.14 2dba h LEU 120 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2dba h LEU 120 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2dba h LEU 120 CO -0.01 0.17 -0.55 0.44 0.09 0.00 0.00 178.44 178.58 2dba h ASP 121 N 0.00 0.20 0.19 -0.43 3.32 -0.48 -3.37 116.42 115.84 2dba h ASP 121 Ca -0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 57.03 56.12 2dba h ASP 121 Cb 0.36 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2dba h ASP 121 CO 0.02 1.25 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.63 2dba h LEU 122 N -0.71 -0.21 -1.50 1.55 3.38 -0.68 -2.70 115.31 114.44 2dba h LEU 122 Ca -0.11 -0.14 0.43 0.00 0.09 0.00 0.00 57.88 58.15 2dba h LEU 122 Cb 1.33 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 2dba h LEU 122 CO 0.04 0.01 1.21 0.00 0.09 0.00 0.00 178.44 179.79 2dba n GLN 123 N -5.12 0.00 -0.01 1.13 6.02 0.06 0.22 117.38 119.70 2dba n GLN 123 Ca -0.09 0.94 -0.17 0.00 -0.01 0.00 0.00 57.00 57.68 2dba n GLN 123 Cb 0.19 -2.23 -0.11 0.00 1.02 0.00 0.00 30.24 29.10 2dba n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dba h ARG 124 N 0.00 0.37 -0.82 -1.09 3.08 -1.63 -3.09 114.38 111.19 2dba h ARG 124 Ca 0.71 -0.38 0.13 0.00 0.07 0.00 0.00 59.98 60.51 2dba h ARG 124 Cb 3.13 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 33.20 2dba h ARG 124 CO -0.01 1.06 0.43 0.00 -1.07 0.00 0.00 179.97 180.38 2dba h VAL 126 N 0.66 1.26 -0.26 0.00 2.07 -1.55 0.42 116.25 118.84 2dba h VAL 126 Ca 0.43 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2dba h VAL 126 Cb 0.54 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2dba h VAL 126 CO -0.32 0.36 -0.01 -1.28 0.02 0.00 0.00 177.57 176.34 2dba h SER 127 N 1.14 0.46 0.56 0.57 0.87 -1.07 -2.79 113.55 113.30 2dba h SER 127 Ca 0.25 -0.31 -0.14 0.00 -1.23 0.00 0.00 61.79 60.35 2dba h SER 127 Cb 0.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2dba h SER 127 CO -0.01 0.67 -0.65 -0.07 -0.53 0.00 0.00 176.83 176.24 2dba h LEU 128 N 0.25 0.09 -7.08 2.23 3.38 -0.87 -3.38 115.31 109.93 2dba h LEU 128 Ca 0.07 -0.06 -0.62 0.00 0.09 0.00 0.00 57.88 57.37 2dba h LEU 128 Cb 0.43 -0.03 -0.41 0.00 0.09 0.00 0.00 40.66 40.75 2dba h LEU 128 CO 0.01 0.71 -0.69 -1.61 0.09 0.00 0.00 178.44 176.95 2dba s GLU 129 N -3.59 1.69 0.00 1.13 0.41 0.14 -4.94 118.70 113.55 2dba s GLU 129 Ca -0.02 -2.45 0.14 0.00 -0.41 0.00 0.00 54.97 52.23 2dba s GLU 129 Cb 0.12 -2.77 0.61 0.00 -1.78 0.00 0.00 34.13 30.31 2dba s GLU 129 CO 0.78 -1.18 1.45 -0.35 -0.49 0.00 0.00 175.26 175.47 2dba n PRO 130 N 3.07 0.01 -0.12 0.39 -0.04 -1.06 -3.44 135.00 133.80 2dba n PRO 130 Ca 0.11 0.25 -0.23 0.00 -0.04 0.00 0.00 63.50 63.59 2dba n PRO 130 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 2dba n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dba n LYS 131 N -1.49 0.56 -1.51 0.54 5.02 -1.26 -4.88 118.16 115.13 2dba n LYS 131 Ca 0.04 0.24 -0.33 0.00 -2.02 0.00 0.00 58.31 56.24 2dba n LYS 131 Cb 0.16 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.58 2dba n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dba n ASN 132 N -4.28 0.23 0.27 4.39 4.13 -1.22 -4.71 115.26 114.07 2dba n ASN 132 Ca -0.42 -0.27 0.17 0.00 1.68 0.00 0.00 54.58 55.74 2dba n ASN 132 Cb 0.77 -0.97 0.61 0.00 -1.54 0.00 0.00 39.78 38.65 2dba n ASN 132 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2dba h LYS 133 N 12.92 0.00 -0.01 3.52 3.64 -1.90 -2.90 116.57 131.84 2dba h LYS 133 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2dba h LYS 133 Cb 1.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2dba h LYS 133 CO 1.39 0.00 0.04 -0.39 -2.27 0.00 0.00 179.45 178.22 2dba h VAL 134 N 0.00 0.18 0.05 2.00 -1.51 -1.97 -1.45 116.25 113.55 2dba h VAL 134 Ca -0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.21 2dba h VAL 134 Cb 0.58 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 2dba h VAL 134 CO 0.00 0.00 -1.43 -0.26 -1.23 0.00 0.00 177.57 174.65 2dba h PHE 135 N 0.00 0.21 0.00 5.19 0.04 -1.89 -3.03 116.94 117.46 2dba h PHE 135 Ca 0.01 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 2dba h PHE 135 Cb 0.09 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 2dba h PHE 135 CO 0.00 1.56 -0.01 1.96 -0.60 0.00 0.00 178.31 181.22 2dba h GLN 136 N -0.59 0.00 0.08 1.51 4.20 -1.53 -1.73 115.11 117.04 2dba h GLN 136 Ca -0.35 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.07 2dba h GLN 136 Cb 1.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.33 2dba h GLN 136 CO -0.07 0.01 -1.55 1.05 -0.67 0.00 0.00 178.83 177.59 2dba h GLU 137 N 0.00 0.16 0.00 1.46 4.11 -1.42 -3.30 114.58 115.59 2dba h GLU 137 Ca -0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2dba h GLU 137 Cb 0.01 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2dba h GLU 137 CO 0.00 0.96 0.00 0.00 0.07 0.00 0.00 179.01 180.04 2dba n ALA 138 N -2.63 1.48 -0.06 1.06 0.00 -0.68 -2.28 120.51 117.40 2dba n ALA 138 Ca -0.16 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 2dba n ALA 138 Cb 1.03 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 2dba n ALA 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dba h LEU 139 N 0.00 0.00 -0.03 0.00 7.12 -1.55 -3.31 115.31 117.54 2dba h LEU 139 Ca 0.00 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.88 2dba h LEU 139 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 2dba h LEU 139 CO 0.00 0.60 0.00 0.54 -0.13 0.00 0.00 178.44 179.45 2dba n ARG 140 N -4.74 0.00 0.14 1.25 1.74 -1.19 -0.11 116.66 113.76 2dba n ARG 140 Ca -0.02 0.39 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 2dba n ARG 140 Cb 0.09 -1.51 0.25 0.00 -1.02 0.00 0.00 32.46 30.27 2dba n ARG 140 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2dba h ASN 141 N 0.00 0.00 0.00 0.55 4.21 -1.55 -3.15 115.58 115.65 2dba h ASN 141 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 2dba h ASN 141 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2dba h ASN 141 CO 0.00 0.01 -0.95 2.30 -1.29 0.00 0.00 177.43 177.50 2dba n ILE 142 N -2.61 0.00 0.09 2.81 -5.35 -0.35 -4.69 119.36 109.25 2dba n ILE 142 Ca 0.04 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.47 2dba n ILE 142 Cb 0.48 -0.67 0.13 0.00 -1.74 0.00 0.00 39.64 37.84 2dba n ILE 142 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2dba h SER 143 N 0.00 0.27 -4.08 7.28 0.87 -0.66 -3.45 113.55 113.78 2dba h SER 143 Ca 0.00 -0.15 -0.53 0.00 -1.23 0.00 0.00 61.79 59.89 2dba h SER 143 Cb 0.77 -0.08 0.10 0.00 -0.44 0.00 0.00 62.40 62.76 2dba h SER 143 CO 0.00 0.79 0.49 -0.83 -0.53 0.00 0.00 176.83 176.75 2dba s GLY 144 N -4.32 2.76 -0.08 5.77 0.00 -1.19 -4.94 107.32 105.32 2dba s GLY 144 Ca -0.04 1.02 -0.30 0.00 0.00 0.00 0.00 44.72 45.41 2dba s GLY 144 CO 0.80 1.44 1.51 2.56 0.00 0.00 0.00 173.10 179.40 2dba s PRO 145 N -3.18 4.21 0.25 2.90 0.04 -1.26 -4.91 135.00 133.05 2dba s PRO 145 Ca 0.74 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.74 2dba s PRO 145 Cb -0.31 -3.87 0.48 0.00 0.04 0.00 0.00 34.50 30.85 2dba s PRO 145 CO 0.34 -0.77 1.65 1.03 0.04 0.00 0.00 177.00 179.29 2dba h SER 146 N 8.92 -0.20 -2.70 6.66 0.87 -1.92 -3.37 113.55 121.82 2dba h SER 146 Ca -0.35 0.18 -0.57 0.00 -1.23 0.00 0.00 61.79 59.82 2dba h SER 146 Cb 1.16 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 63.38 2dba h SER 146 CO 0.95 -0.14 1.21 -0.55 -0.53 0.00 0.00 176.83 177.77 2dba s SER 147 N -5.19 6.14 0.00 6.23 0.15 -1.26 -5.27 113.70 114.50 2dba s SER 147 Ca -0.13 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.03 2dba s SER 147 Cb 0.22 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2dba s SER 147 CO 0.76 -1.48 0.00 0.61 1.20 0.00 0.00 173.24 174.33