#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 1.54 -2.20 1.61 2.88 -1.26 -5.04 113.62 111.15 2dba n SER 2 Ca 0.00 0.27 -0.11 0.00 -1.33 0.00 0.00 58.87 57.70 2dba n SER 2 Cb 0.00 -0.64 0.04 0.00 -0.75 0.00 0.00 64.21 62.86 2dba n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dba n SER 3 N -3.99 -3.31 -3.89 -3.46 2.88 -1.26 -4.99 113.62 95.60 2dba n SER 3 Ca -0.42 -0.30 -0.25 0.00 -1.33 0.00 0.00 58.87 56.56 2dba n SER 3 Cb 0.80 -2.92 0.14 0.00 -0.75 0.00 0.00 64.21 61.47 2dba n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dba n GLY 4 N -1.20 -2.51 1.15 0.46 0.00 -1.26 -5.01 105.19 96.82 2dba n GLY 4 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2dba n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dba n SER 5 N -0.67 0.24 -2.66 1.61 7.64 -1.26 -5.17 113.62 113.35 2dba n SER 5 Ca 0.03 0.05 -0.01 0.00 1.01 0.00 0.00 58.87 59.94 2dba n SER 5 Cb 0.49 -0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.64 2dba n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dba n SER 6 N -2.76 -1.15 0.00 6.43 7.64 -1.26 -5.19 113.62 117.33 2dba n SER 6 Ca 0.00 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.32 2dba n SER 6 Cb 0.00 1.86 0.00 0.00 -1.01 0.00 0.00 64.21 65.06 2dba n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dba n GLY 7 N -0.53 3.84 3.27 0.23 0.00 -1.26 -5.15 105.19 105.59 2dba n GLY 7 Ca -0.01 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 2dba n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dba s MET 8 N 2.55 0.37 -0.15 1.61 1.00 -1.26 -5.15 119.30 118.28 2dba s MET 8 Ca 0.00 0.86 -0.02 0.00 0.00 0.00 0.00 55.69 56.53 2dba s MET 8 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 34.83 34.88 2dba s MET 8 CO 0.00 -0.19 -0.09 0.95 0.00 0.00 0.00 175.02 175.70 2dba s THR 9 N 1.74 3.39 -0.15 2.05 -4.23 -1.26 -5.11 115.64 112.08 2dba s THR 9 Ca -0.07 -0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2dba s THR 9 Cb -0.09 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2dba s THR 9 CO -0.13 0.50 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.63 2dba s VAL 10 N 0.45 2.82 0.28 2.29 1.01 -1.26 -5.12 120.40 120.87 2dba s VAL 10 Ca -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2dba s VAL 10 Cb -0.15 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2dba s VAL 10 CO 0.04 0.51 0.09 -0.44 0.00 0.00 0.00 175.10 175.30 2dba s SER 11 N 0.71 1.46 -0.41 3.32 0.01 -1.26 -5.13 113.70 112.41 2dba s SER 11 Ca -0.07 -1.40 -0.01 0.00 1.31 0.00 0.00 55.95 55.78 2dba s SER 11 Cb -0.15 0.13 0.20 0.00 0.21 0.00 0.00 66.02 66.41 2dba s SER 11 CO 0.02 -0.72 0.95 -0.83 0.41 0.00 0.00 173.24 173.06 2dba s GLY 12 N -3.36 -1.64 0.00 3.44 0.00 -1.26 -5.17 107.32 99.34 2dba s GLY 12 Ca 0.37 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.36 2dba s GLY 12 CO 0.14 4.06 0.00 -1.55 0.00 0.00 0.00 173.10 175.75 2dba n PRO 13 N 2.86 -0.42 -3.71 2.90 -0.04 -1.26 -5.10 135.00 130.23 2dba n PRO 13 Ca 0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2dba n PRO 13 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 2dba n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2dba s GLY 14 N -2.04 -0.35 -0.23 0.55 0.00 -1.26 -5.18 107.32 98.81 2dba s GLY 14 Ca 0.00 0.54 -0.27 0.00 0.00 0.00 0.00 44.72 44.99 2dba s GLY 14 CO 0.00 1.51 1.02 -1.08 0.00 0.00 0.00 173.10 174.55 2dba s THR 15 N -2.28 0.00 0.64 0.90 -1.32 -1.26 -5.18 115.64 107.14 2dba s THR 15 Ca 0.18 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.55 2dba s THR 15 Cb 0.04 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.19 2dba s THR 15 CO -0.03 0.00 0.57 -0.81 -2.21 0.00 0.00 174.62 172.14 2dba n PRO 16 N 1.54 -2.13 -4.16 7.08 -0.04 -1.26 -5.09 135.00 130.94 2dba n PRO 16 Ca -0.12 -0.91 -0.15 0.00 -0.04 0.00 0.00 63.50 62.28 2dba n PRO 16 Cb 0.57 -0.85 -0.13 0.00 -0.04 0.00 0.00 33.50 33.05 2dba n PRO 16 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dba s GLU 17 N -4.29 0.59 0.94 0.54 4.04 -1.26 -5.16 118.70 114.10 2dba s GLU 17 Ca 0.37 -0.58 -0.12 0.00 0.04 0.00 0.00 54.97 54.68 2dba s GLU 17 Cb -0.04 -0.47 0.15 0.00 0.02 0.00 0.00 34.13 33.79 2dba s GLU 17 CO 0.28 0.11 1.09 -1.25 -1.84 0.00 0.00 175.26 173.66 2dba s PRO 18 N -1.04 0.90 -0.09 -4.83 0.04 -1.26 -5.03 135.00 123.69 2dba s PRO 18 Ca -0.04 0.69 -0.13 0.00 0.04 0.00 0.00 61.00 61.56 2dba s PRO 18 Cb -0.07 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2dba s PRO 18 CO 0.00 -2.45 0.31 0.50 0.04 0.00 0.00 177.00 175.40 2dba s ARG 19 N -4.95 3.96 1.17 4.56 3.52 -1.26 -5.09 118.95 120.86 2dba s ARG 19 Ca 0.64 0.18 -0.18 0.00 -0.13 0.00 0.00 55.73 56.24 2dba s ARG 19 Cb -0.18 -3.30 0.27 0.00 -1.56 0.00 0.00 34.95 30.18 2dba s ARG 19 CO 0.57 0.52 1.11 -1.25 -0.81 0.00 0.00 175.30 175.43 2dba s PRO 20 N -0.41 -0.92 -0.30 5.12 0.04 -1.26 -5.08 135.00 132.18 2dba s PRO 20 Ca 0.19 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.24 2dba s PRO 20 Cb -0.14 -1.62 0.19 0.00 0.04 0.00 0.00 34.50 32.97 2dba s PRO 20 CO 0.08 -3.54 0.76 0.00 0.04 0.00 0.00 177.00 174.34 2dba s ALA 21 N -3.00 -2.79 -0.28 8.56 0.00 -1.26 -5.16 121.76 117.83 2dba s ALA 21 Ca 0.70 1.50 -0.25 0.00 0.00 0.00 0.00 51.96 53.90 2dba s ALA 21 Cb -0.11 -2.42 0.15 0.00 0.00 0.00 0.00 23.12 20.73 2dba s ALA 21 CO 0.56 -1.58 1.17 -0.08 0.00 0.00 0.00 175.76 175.83 2dba s THR 22 N 2.89 0.00 -0.01 0.00 -1.32 -1.26 -5.07 115.64 110.87 2dba s THR 22 Ca 0.14 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.37 2dba s THR 22 Cb -0.11 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.68 2dba s THR 22 CO -0.20 0.00 1.28 1.55 -2.21 0.00 0.00 174.62 175.04 2dba h PRO 23 N 3.74 0.05 -0.57 7.08 0.13 -2.09 -3.44 132.00 136.91 2dba h PRO 23 Ca -0.27 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 2dba h PRO 23 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 2dba h PRO 23 CO 0.14 0.52 -0.29 0.20 -0.23 0.00 0.00 178.00 178.34 2dba s GLY 24 N -3.21 -1.58 -0.27 1.56 0.00 -1.26 -5.13 107.32 97.42 2dba s GLY 24 Ca -0.16 0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 2dba s GLY 24 CO 0.69 4.01 0.04 0.00 0.00 0.00 0.00 173.10 177.84 2dba s ALA 25 N 1.08 3.00 -0.69 3.20 0.00 -1.26 -4.95 121.76 122.14 2dba s ALA 25 Ca 0.25 -1.33 0.08 0.00 0.00 0.00 0.00 51.96 50.95 2dba s ALA 25 Cb 0.06 -2.01 0.43 0.00 0.00 0.00 0.00 23.12 21.60 2dba s ALA 25 CO -0.09 -0.73 1.24 0.43 0.00 0.00 0.00 175.76 176.61 2dba n SER 26 N 4.85 0.20 -3.28 0.00 7.64 -1.26 -4.35 113.62 117.42 2dba n SER 26 Ca -0.16 0.59 -0.35 0.00 1.01 0.00 0.00 58.87 59.96 2dba n SER 26 Cb 0.49 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 2dba n SER 26 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dba n SER 27 N -1.77 -1.10 -0.30 6.43 7.64 -1.26 -4.02 113.62 119.24 2dba n SER 27 Ca -0.01 0.81 0.11 0.00 1.01 0.00 0.00 58.87 60.80 2dba n SER 27 Cb 0.02 -0.70 0.27 0.00 -1.01 0.00 0.00 64.21 62.79 2dba n SER 27 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2dba h VAL 28 N 0.68 0.53 -0.87 0.44 3.04 -1.88 0.42 116.25 118.61 2dba h VAL 28 Ca -0.22 -0.15 0.25 0.00 -1.01 0.00 0.00 66.70 65.58 2dba h VAL 28 Cb 1.08 0.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.39 2dba h VAL 28 CO 0.42 0.08 0.62 -0.33 -1.01 0.00 0.00 177.57 177.35 2dba h GLU 29 N 0.42 0.03 0.00 4.17 4.39 -1.92 -0.17 114.58 121.50 2dba h GLU 29 Ca 0.52 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2dba h GLU 29 Cb 0.93 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2dba h GLU 29 CO -0.49 0.02 -0.03 0.94 -1.16 0.00 0.00 179.01 178.29 2dba n GLN 30 N -4.29 0.03 -0.27 2.33 7.27 0.14 -4.23 117.38 118.34 2dba n GLN 30 Ca 0.18 0.25 0.31 0.00 0.07 0.00 0.00 57.00 57.81 2dba n GLN 30 Cb 0.92 -0.79 0.47 0.00 2.41 0.00 0.00 30.24 33.26 2dba n GLN 30 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 2dba n LEU 31 N -2.40 0.00 -0.31 1.69 -0.00 -0.55 -0.26 117.00 115.17 2dba n LEU 31 Ca -0.00 0.77 0.14 0.00 -0.00 0.00 0.00 56.01 56.92 2dba n LEU 31 Cb 0.02 -0.28 0.31 0.00 -0.00 0.00 0.00 43.42 43.46 2dba n LEU 31 CO 0.01 -0.77 0.93 -0.09 -0.00 0.00 0.00 177.39 177.46 2dba h ARG 32 N 0.00 0.16 -0.75 1.47 1.12 -1.20 0.47 114.38 115.66 2dba h ARG 32 Ca 0.54 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.45 2dba h ARG 32 Cb 2.99 -0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 32.86 2dba h ARG 32 CO -0.01 0.11 0.45 0.87 -3.11 0.00 0.00 179.97 178.28 2dba h LYS 33 N 0.17 0.82 -0.90 0.20 1.79 -0.89 -2.06 116.57 115.69 2dba h LYS 33 Ca 0.58 -0.05 0.24 0.00 -2.18 0.00 0.00 60.65 59.24 2dba h LYS 33 Cb 1.20 -0.18 -0.14 0.00 -1.58 0.00 0.00 32.23 31.53 2dba h LYS 33 CO -0.70 0.54 0.35 1.49 -1.08 0.00 0.00 179.45 180.05 2dba h GLU 34 N 0.84 0.29 0.66 3.15 4.57 -0.23 0.24 114.58 124.10 2dba h GLU 34 Ca 0.32 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.45 2dba h GLU 34 Cb 0.13 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2dba h GLU 34 CO -0.16 0.19 -0.31 0.78 -1.18 0.00 0.00 179.01 178.33 2dba h GLY 35 N 0.30 -0.92 0.30 1.92 0.00 -1.33 -2.92 103.07 100.42 2dba h GLY 35 Ca 0.58 0.34 0.01 0.00 0.00 0.00 0.00 47.33 48.27 2dba h GLY 35 CO -0.60 -0.33 -0.43 3.43 0.00 0.00 0.00 176.54 178.61 2dba h ASN 36 N -1.15 -1.26 -0.99 0.19 2.35 -1.29 -1.38 115.58 112.05 2dba h ASN 36 Ca -0.09 0.13 0.32 0.00 -0.55 0.00 0.00 56.30 56.11 2dba h ASN 36 Cb 0.67 0.47 -0.18 0.00 0.05 0.00 0.00 38.32 39.33 2dba h ASN 36 CO 0.15 -0.51 0.19 -0.33 -1.65 0.00 0.00 177.43 175.28 2dba h GLU 37 N -0.70 0.01 -0.07 0.81 5.08 -0.65 1.94 114.58 121.01 2dba h GLU 37 Ca 0.01 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2dba h GLU 37 Cb 0.70 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2dba h GLU 37 CO -0.22 0.01 -0.48 -0.07 -1.00 0.00 0.00 179.01 177.24 2dba h LEU 38 N 0.01 0.18 0.05 1.33 3.38 -1.13 -3.03 115.31 116.11 2dba h LEU 38 Ca 0.68 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.56 2dba h LEU 38 Cb 1.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2dba h LEU 38 CO -0.87 0.63 -0.02 0.15 0.09 0.00 0.00 178.44 178.42 2dba h PHE 39 N 0.13 -0.06 0.00 1.13 3.57 0.39 -0.93 116.94 121.18 2dba h PHE 39 Ca 0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2dba h PHE 39 Cb 0.90 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2dba h PHE 39 CO 0.01 0.43 0.00 0.36 -2.23 0.00 0.00 178.31 176.89 2dba n LYS 40 N -4.88 0.01 -0.01 1.11 2.85 0.40 -0.69 118.16 116.95 2dba n LYS 40 Ca -0.09 0.42 0.08 0.00 -1.05 0.00 0.00 58.31 57.67 2dba n LYS 40 Cb 0.26 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.02 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 1.59 2.34 3.53 0.00 0.00 0.13 -5.03 105.19 107.76 2dba n GLY 42 Ca -0.04 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2dba n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dba n ASP 43 N 0.18 0.81 0.03 1.61 -0.08 -0.46 -4.73 116.55 113.92 2dba n ASP 43 Ca 0.00 -0.79 -0.19 0.00 -1.51 0.00 0.00 54.79 52.30 2dba n ASP 43 Cb 0.00 -1.24 -0.14 0.00 2.34 0.00 0.00 41.12 42.08 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2dba h TYR 44 N 13.61 0.46 -1.07 -0.67 0.05 -1.93 -2.51 116.97 124.90 2dba h TYR 44 Ca -0.05 -0.33 0.30 0.00 0.05 0.00 0.00 58.73 58.71 2dba h TYR 44 Cb 1.14 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.81 2dba h TYR 44 CO 1.17 1.26 0.76 0.78 -1.05 0.00 0.00 178.16 181.08 2dba h GLY 45 N -0.47 0.23 0.00 3.88 0.00 -1.93 -2.03 103.07 102.75 2dba h GLY 45 Ca -0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 2dba h GLY 45 CO 0.13 -0.02 -1.05 0.61 0.00 0.00 0.00 176.54 176.20 2dba n GLY 46 N -1.70 -0.84 0.33 4.60 0.00 -1.24 -3.77 105.19 102.56 2dba n GLY 46 Ca 0.23 -0.04 0.28 0.00 0.00 0.00 0.00 46.02 46.49 2dba n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba h ALA 47 N -0.76 1.97 -0.35 4.61 0.00 -1.13 0.89 119.26 124.48 2dba h ALA 47 Ca -0.22 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2dba h ALA 47 Cb 0.99 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2dba h ALA 47 CO -0.13 -0.84 -0.13 1.25 0.00 0.00 0.00 179.25 179.40 2dba h LEU 48 N 0.05 0.73 -0.58 0.00 7.12 -1.57 -2.62 115.31 118.44 2dba h LEU 48 Ca 0.79 -0.39 0.09 0.00 0.13 0.00 0.00 57.88 58.50 2dba h LEU 48 Cb 1.99 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 41.85 2dba h LEU 48 CO -0.77 0.95 0.21 0.00 -0.13 0.00 0.00 178.44 178.70 2dba h ALA 49 N 0.80 0.74 -0.00 1.25 0.00 0.69 -0.87 119.26 121.86 2dba h ALA 49 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dba h ALA 49 Cb 0.66 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2dba h ALA 49 CO 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2dba h ALA 50 N 1.40 0.00 -0.81 0.00 0.00 -1.31 -2.75 119.26 115.79 2dba h ALA 50 Ca 0.29 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2dba h ALA 50 Cb 0.36 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2dba h ALA 50 CO -0.30 -0.42 0.53 1.88 0.00 0.00 0.00 179.25 180.94 2dba h TYR 51 N -0.15 0.69 0.43 0.00 0.05 -1.05 -2.27 116.97 114.67 2dba h TYR 51 Ca 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2dba h TYR 51 Cb 0.15 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 2dba h TYR 51 CO -0.03 0.28 -0.35 1.15 -1.05 0.00 0.00 178.16 178.17 2dba h THR 52 N 0.60 0.29 -0.36 -2.88 2.02 -0.87 -2.69 112.91 109.02 2dba h THR 52 Ca 0.40 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.64 2dba h THR 52 Cb 0.69 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 2dba h THR 52 CO -0.16 0.00 0.02 1.56 0.37 0.00 0.00 175.52 177.32 2dba h GLN 53 N -0.77 0.13 -0.77 6.66 4.20 -1.33 -1.71 115.11 121.51 2dba h GLN 53 Ca -0.04 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.81 2dba h GLN 53 Cb 0.67 -0.03 -0.14 0.00 0.30 0.00 0.00 27.48 28.28 2dba h GLN 53 CO -0.01 0.08 -0.27 0.00 -0.67 0.00 0.00 178.83 177.96 2dba h ALA 54 N 1.30 0.30 -0.61 3.87 0.00 -1.23 0.20 119.26 123.09 2dba h ALA 54 Ca 0.17 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2dba h ALA 54 Cb 0.23 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2dba h ALA 54 CO -0.27 -0.52 0.11 -0.07 0.00 0.00 0.00 179.25 178.50 2dba h LEU 55 N -0.05 0.96 -0.95 0.00 3.38 -1.11 -2.94 115.31 114.61 2dba h LEU 55 Ca 0.33 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.22 2dba h LEU 55 Cb 0.58 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.97 2dba h LEU 55 CO -0.81 0.98 0.54 1.23 0.09 0.00 0.00 178.44 180.47 2dba h GLY 56 N 0.91 1.64 -3.15 0.83 0.00 0.26 -3.41 103.07 100.15 2dba h GLY 56 Ca 0.19 -0.32 -0.48 0.00 0.00 0.00 0.00 47.33 46.72 2dba h GLY 56 CO 0.01 -0.06 0.39 1.08 0.00 0.00 0.00 176.54 177.96 2dba s LEU 57 N -10.33 4.35 -0.93 3.11 1.43 -0.68 -4.93 118.68 110.71 2dba s LEU 57 Ca -0.12 1.99 -0.25 0.00 -1.03 0.00 0.00 54.13 54.73 2dba s LEU 57 Cb 0.24 -3.96 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 2dba s LEU 57 CO 0.79 -0.19 2.04 1.51 0.23 0.00 0.00 176.35 180.73 2dba s ASP 58 N -1.42 4.83 0.44 2.29 -4.77 -1.26 -4.92 116.67 111.86 2dba s ASP 58 Ca 0.51 -0.69 0.08 0.00 -3.30 0.00 0.00 52.55 49.14 2dba s ASP 58 Cb -0.23 -2.56 -0.01 0.00 -1.09 0.00 0.00 42.92 39.03 2dba s ASP 58 CO 0.29 -3.07 0.42 0.00 0.70 0.00 0.00 175.17 173.51 2dba s ALA 59 N 11.33 4.18 0.90 2.11 0.00 -1.26 -5.08 121.76 133.93 2dba s ALA 59 Ca 0.74 -1.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 2dba s ALA 59 Cb -0.07 -1.05 0.05 0.00 0.00 0.00 0.00 23.12 22.05 2dba s ALA 59 CO 0.03 -0.29 0.66 0.25 0.00 0.00 0.00 175.76 176.41 2dba n THR 60 N -1.64 0.48 0.43 0.00 -2.24 -1.26 -4.79 114.28 105.26 2dba n THR 60 Ca 0.04 -0.18 0.10 0.00 -2.27 0.00 0.00 64.05 61.74 2dba n THR 60 Cb 0.62 -0.78 0.43 0.00 -2.10 0.00 0.00 70.33 68.50 2dba n THR 60 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dba n PRO 61 N -2.25 0.12 0.04 -0.78 -0.04 -1.26 -2.36 135.00 128.48 2dba n PRO 61 Ca 0.09 0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 63.91 2dba n PRO 61 Cb 0.52 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.03 0.54 4.15 -1.99 -3.35 115.11 114.50 2dba h GLN 62 Ca 0.00 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.16 2dba h GLN 62 Cb 0.32 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 2dba h GLN 62 CO 0.00 0.36 -1.35 -0.44 -1.93 0.00 0.00 178.83 175.47 2dba h ASP 63 N 0.00 0.11 -0.21 -0.69 3.32 -1.81 -3.22 116.42 113.92 2dba h ASP 63 Ca -0.14 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2dba h ASP 63 Cb 1.59 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 2dba h ASP 63 CO 0.05 1.13 0.12 1.56 -1.72 0.00 0.00 179.24 180.38 2dba h GLN 64 N 0.02 0.32 0.05 3.56 4.20 -1.63 -2.79 115.11 118.85 2dba h GLN 64 Ca -0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2dba h GLN 64 Cb 1.91 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.62 2dba h GLN 64 CO 0.13 0.25 -0.02 0.00 -0.67 0.00 0.00 178.83 178.51 2dba h ALA 65 N 1.81 -0.18 -1.69 3.87 0.00 -1.69 -2.46 119.26 118.92 2dba h ALA 65 Ca 0.09 -0.01 0.49 0.00 0.00 0.00 0.00 54.91 55.47 2dba h ALA 65 Cb 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2dba h ALA 65 CO -0.01 -0.17 1.23 1.55 0.00 0.00 0.00 179.25 181.84 2dba n VAL 66 N -2.88 0.00 -0.03 0.00 3.14 -1.22 0.16 118.33 117.51 2dba n VAL 66 Ca -0.01 1.28 -0.18 0.00 -2.96 0.00 0.00 64.34 62.47 2dba n VAL 66 Cb 0.03 -2.14 -0.13 0.00 -1.06 0.00 0.00 33.84 30.53 2dba n VAL 66 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2dba h LEU 67 N 0.00 0.21 -0.41 6.55 3.38 -1.57 -3.13 115.31 120.34 2dba h LEU 67 Ca 0.80 -0.89 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2dba h LEU 67 Cb 3.25 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 43.87 2dba h LEU 67 CO -0.01 1.29 -0.02 0.45 0.09 0.00 0.00 178.44 180.25 2dba h HIS 68 N -0.69 -0.06 0.00 1.13 3.86 0.21 0.28 115.15 119.88 2dba h HIS 68 Ca -0.14 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 2dba h HIS 68 Cb 1.37 0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.92 2dba h HIS 68 CO 0.20 -0.10 -0.09 0.07 0.86 0.00 0.00 177.93 178.87 2dba h ARG 69 N 0.09 0.00 0.01 2.45 -0.00 -1.42 -3.01 114.38 112.50 2dba h ARG 69 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.17 2dba h ARG 69 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 2dba h ARG 69 CO -0.35 0.09 -0.05 -0.97 -0.00 0.00 0.00 179.97 178.69 2dba h ASN 70 N 0.00 0.03 -0.93 0.08 -0.73 -0.72 -3.35 115.58 109.97 2dba h ASN 70 Ca -0.00 -0.97 0.18 0.00 1.87 0.00 0.00 56.30 57.38 2dba h ASN 70 Cb 0.36 -0.01 -0.17 0.00 0.27 0.00 0.00 38.32 38.77 2dba h ASN 70 CO 0.01 1.00 -0.25 0.03 -0.37 0.00 0.00 177.43 177.85 2dba h ARG 71 N -0.93 -0.01 -0.75 6.67 3.08 -0.45 0.39 114.38 122.38 2dba h ARG 71 Ca -0.01 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.21 2dba h ARG 71 Cb 1.02 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.94 2dba h ARG 71 CO 0.01 -0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.89 2dba h ALA 72 N 1.84 0.74 -0.08 0.04 0.00 -1.68 -2.27 119.26 117.84 2dba h ALA 72 Ca 0.43 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.60 2dba h ALA 72 Cb 0.67 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2dba h ALA 72 CO -0.96 -0.42 -0.20 0.00 0.00 0.00 0.00 179.25 177.67 2dba h ALA 73 N 1.70 -0.55 -0.98 0.00 0.00 -0.36 0.24 119.26 119.31 2dba h ALA 73 Ca 0.40 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.52 2dba h ALA 73 Cb 0.70 0.78 -0.18 0.00 0.00 0.00 0.00 17.79 19.08 2dba h ALA 73 CO -0.67 -0.63 -0.13 0.00 0.00 0.00 0.00 179.25 177.82 2dba h HIS 75 N 0.00 -0.44 -0.78 0.00 3.86 -1.05 -1.92 115.15 114.82 2dba h HIS 75 Ca 0.52 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.89 2dba h HIS 75 Cb 0.92 0.15 -0.14 0.00 1.06 0.00 0.00 27.41 29.40 2dba h HIS 75 CO -0.64 -0.27 -0.12 -0.07 0.86 0.00 0.00 177.93 177.69 2dba h LEU 76 N -0.45 -0.59 -1.42 2.43 3.38 0.16 0.82 115.31 119.64 2dba h LEU 76 Ca -0.04 0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2dba h LEU 76 Cb 0.36 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2dba h LEU 76 CO 0.05 -0.24 -0.15 0.11 0.09 0.00 0.00 178.44 178.30 2dba h LYS 77 N 0.03 0.19 -1.55 1.13 1.79 -1.13 -2.77 116.57 114.26 2dba h LYS 77 Ca 0.40 -0.04 -0.54 0.00 -2.18 0.00 0.00 60.65 58.28 2dba h LYS 77 Cb 0.65 -0.03 -0.21 0.00 -1.58 0.00 0.00 32.23 31.06 2dba h LYS 77 CO -0.76 0.35 0.66 1.28 -1.08 0.00 0.00 179.45 179.89 2dba n LEU 78 N -4.27 7.02 -4.05 2.94 4.77 0.26 -4.84 117.00 118.83 2dba n LEU 78 Ca -0.01 -4.02 -0.33 0.00 -0.03 0.00 0.00 56.01 51.62 2dba n LEU 78 Cb 0.27 -1.08 -0.07 0.00 -2.33 0.00 0.00 43.42 40.22 2dba n LEU 78 CO 0.38 1.50 -0.22 -0.62 -1.33 0.00 0.00 177.39 177.09 2dba n GLU 79 N -0.06 -0.82 -2.12 3.23 1.02 -1.04 -4.79 120.64 116.06 2dba n GLU 79 Ca 0.48 0.10 -0.25 0.00 -0.02 0.00 0.00 57.16 57.47 2dba n GLU 79 Cb 0.54 -3.65 0.02 0.00 -0.02 0.00 0.00 31.44 28.32 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 -2.08 4.94 -0.33 1.62 8.00 0.31 -4.81 116.55 124.19 2dba n ASP 80 Ca -0.02 -3.74 0.05 0.00 0.71 0.00 0.00 54.79 51.79 2dba n ASP 80 Cb 0.45 -0.39 0.24 0.00 -0.02 0.00 0.00 41.12 41.40 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 2.28 1.08 -0.41 1.24 -1.99 -1.83 -0.68 116.97 116.67 2dba h TYR 81 Ca 0.36 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.19 2dba h TYR 81 Cb 1.36 -0.35 -0.09 0.00 2.00 0.00 0.00 36.73 39.65 2dba h TYR 81 CO 0.85 0.51 -0.43 -0.44 -0.00 0.00 0.00 178.16 178.66 2dba h ASP 82 N 1.02 -1.42 0.47 3.88 3.32 -1.89 -0.29 116.42 121.50 2dba h ASP 82 Ca 0.43 0.22 -0.14 0.00 0.02 0.00 0.00 57.03 57.56 2dba h ASP 82 Cb 0.33 0.62 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2dba h ASP 82 CO -0.19 -0.37 -0.62 0.11 -1.72 0.00 0.00 179.24 176.45 2dba h LYS 83 N -0.33 0.14 0.14 3.56 1.57 -1.87 -3.28 116.57 116.50 2dba h LYS 83 Ca 0.14 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2dba h LYS 83 Cb 0.58 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2dba h LYS 83 CO -0.57 0.72 -0.41 0.00 -0.57 0.00 0.00 179.45 178.62 2dba h ALA 84 N 1.26 -0.74 -0.99 3.86 0.00 0.44 -2.43 119.26 120.66 2dba h ALA 84 Ca -0.01 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.99 2dba h ALA 84 Cb 1.12 0.68 -0.17 0.00 0.00 0.00 0.00 17.79 19.43 2dba h ALA 84 CO 0.09 -0.98 -0.36 -1.91 0.00 0.00 0.00 179.25 176.09 2dba n GLU 85 N -5.46 -0.20 0.06 0.00 0.00 -0.36 -1.63 120.64 113.04 2dba n GLU 85 Ca -0.07 1.52 -0.04 0.00 0.00 0.00 0.00 57.16 58.57 2dba n GLU 85 Cb 0.38 -2.27 -0.02 0.00 0.00 0.00 0.00 31.44 29.53 2dba n GLU 85 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2dba h THR 86 N 0.00 0.00 -0.84 6.31 2.02 -1.59 -2.20 112.91 116.61 2dba h THR 86 Ca 0.37 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.90 2dba h THR 86 Cb 0.62 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.88 2dba h THR 86 CO -0.99 0.00 0.45 -0.62 0.37 0.00 0.00 175.52 174.73 2dba n GLU 87 N -3.02 -0.05 0.00 6.66 -0.58 -0.68 0.13 120.64 123.11 2dba n GLU 87 Ca -0.03 1.16 -0.10 0.00 -0.42 0.00 0.00 57.16 57.78 2dba n GLU 87 Cb 0.10 -2.08 -0.04 0.00 -0.57 0.00 0.00 31.44 28.85 2dba n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dba h ALA 88 N 1.68 0.02 -0.13 0.62 0.00 -0.67 -1.77 119.26 119.00 2dba h ALA 88 Ca 0.71 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.60 2dba h ALA 88 Cb 1.87 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2dba h ALA 88 CO -0.65 -0.53 -0.19 0.66 0.00 0.00 0.00 179.25 178.54 2dba h SER 89 N -0.07 0.20 -0.20 0.00 4.64 0.13 -1.81 113.55 116.44 2dba h SER 89 Ca 0.06 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2dba h SER 89 Cb 0.17 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2dba h SER 89 CO -0.15 0.41 -0.02 0.11 -0.87 0.00 0.00 176.83 176.32 2dba h LYS 90 N 0.20 0.49 0.13 4.77 1.57 -0.54 -0.91 116.57 122.27 2dba h LYS 90 Ca 0.04 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 2dba h LYS 90 Cb 0.46 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.72 2dba h LYS 90 CO 0.03 0.53 -0.79 0.00 -0.57 0.00 0.00 179.45 178.65 2dba h ALA 91 N 1.52 -0.07 -0.44 3.86 0.00 -0.85 -2.91 119.26 120.37 2dba h ALA 91 Ca 0.10 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.34 2dba h ALA 91 Cb 0.34 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2dba h ALA 91 CO 0.01 0.38 0.28 0.82 0.00 0.00 0.00 179.25 180.74 2dba h ILE 92 N -0.34 1.09 -0.51 0.00 2.04 -1.23 -2.10 117.51 116.46 2dba h ILE 92 Ca -0.14 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 2dba h ILE 92 Cb 1.61 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2dba h ILE 92 CO 0.15 0.10 0.06 1.05 0.00 0.00 0.00 178.15 179.52 2dba h GLU 93 N 0.57 0.81 0.91 2.37 4.11 -1.29 1.31 114.58 123.37 2dba h GLU 93 Ca 0.17 -0.19 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 2dba h GLU 93 Cb -0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2dba h GLU 93 CO -0.05 0.78 -0.48 0.87 0.07 0.00 0.00 179.01 180.19 2dba h LYS 94 N 0.77 -1.23 0.00 1.06 1.79 -1.22 -3.35 116.57 114.39 2dba h LYS 94 Ca 0.16 0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 2dba h LYS 94 Cb 0.38 0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2dba h LYS 94 CO 0.01 -0.82 -0.08 0.22 -1.08 0.00 0.00 179.45 177.70 2dba h ASP 95 N -1.27 0.00 0.00 0.86 1.82 -1.38 -3.49 116.42 112.95 2dba h ASP 95 Ca -0.12 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2dba h ASP 95 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.00 2dba h ASP 95 CO 0.18 0.69 0.00 0.61 -1.61 0.00 0.00 179.24 179.11 2dba n GLY 96 N 1.71 0.75 0.56 -0.78 0.00 0.45 -4.90 105.19 102.98 2dba n GLY 96 Ca -0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.96 0.33 3.48 -0.02 0.00 -1.26 -5.06 105.19 100.70 2dba n GLY 97 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.31 4.49 0.00 1.61 -1.08 -1.26 -5.00 116.67 115.13 2dba s ASP 98 Ca 0.00 -0.17 0.16 0.00 -0.52 0.00 0.00 52.55 52.02 2dba s ASP 98 Cb 0.00 -1.56 -0.18 0.00 -1.46 0.00 0.00 42.92 39.72 2dba s ASP 98 CO 0.00 0.22 0.70 1.33 0.52 0.00 0.00 175.17 177.94 2dba n VAL 99 N 3.19 1.33 -0.31 1.11 0.24 -1.26 -4.17 118.33 118.46 2dba n VAL 99 Ca -0.18 -0.74 0.08 0.00 -2.04 0.00 0.00 64.34 61.47 2dba n VAL 99 Cb 0.53 -0.81 0.19 0.00 -1.47 0.00 0.00 33.84 32.28 2dba n VAL 99 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2dba h LYS 100 N 0.00 0.04 -0.01 7.34 1.79 -1.97 0.49 116.57 124.25 2dba h LYS 100 Ca -0.23 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2dba h LYS 100 Cb 1.77 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.41 2dba h LYS 100 CO 0.06 0.03 -0.00 0.00 -1.08 0.00 0.00 179.45 178.45 2dba h ALA 101 N 1.86 0.01 -0.64 3.86 0.00 -1.87 -2.89 119.26 119.59 2dba h ALA 101 Ca 0.48 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.28 2dba h ALA 101 Cb 0.87 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 2dba h ALA 101 CO -0.84 -0.27 -0.42 -0.07 0.00 0.00 0.00 179.25 177.65 2dba h LEU 102 N -0.39 -1.46 -1.04 0.00 3.38 -1.12 0.35 115.31 115.04 2dba h LEU 102 Ca 0.00 0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.31 2dba h LEU 102 Cb 0.42 0.68 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2dba h LEU 102 CO 0.00 -0.32 0.64 0.22 0.09 0.00 0.00 178.44 179.07 2dba h TYR 103 N -0.18 1.16 -0.34 1.13 3.20 -1.26 -2.04 116.97 118.64 2dba h TYR 103 Ca 0.21 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2dba h TYR 103 Cb 0.56 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2dba h TYR 103 CO -0.73 0.57 0.13 0.00 -1.64 0.00 0.00 178.16 176.49 2dba h ARG 104 N 1.11 0.51 -0.15 1.82 2.47 -0.27 -3.03 114.38 116.84 2dba h ARG 104 Ca 0.44 -0.10 0.05 0.00 -1.26 0.00 0.00 59.98 59.12 2dba h ARG 104 Cb 0.26 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.44 2dba h ARG 104 CO -0.19 0.51 -0.29 -0.09 0.56 0.00 0.00 179.97 180.47 2dba h ARG 105 N 0.39 -0.34 -0.67 0.04 2.43 0.12 -1.89 114.38 114.46 2dba h ARG 105 Ca 0.11 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.45 2dba h ARG 105 Cb 0.20 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 29.71 2dba h ARG 105 CO -0.01 -0.23 -0.05 0.66 -1.51 0.00 0.00 179.97 178.83 2dba h SER 106 N -0.36 -0.41 -0.91 -3.80 4.64 -1.42 0.54 113.55 111.83 2dba h SER 106 Ca 0.10 0.18 0.24 0.00 -0.47 0.00 0.00 61.79 61.84 2dba h SER 106 Cb 0.52 0.34 -0.05 0.00 -0.31 0.00 0.00 62.40 62.89 2dba h SER 106 CO -0.35 -0.17 0.63 1.56 -0.87 0.00 0.00 176.83 177.64 2dba h GLN 107 N 0.07 0.16 0.13 4.77 1.08 -1.23 -0.37 115.11 119.73 2dba h GLN 107 Ca 0.34 -0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 57.23 2dba h GLN 107 Cb 0.56 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2dba h GLN 107 CO -0.61 0.11 -1.55 0.00 -0.95 0.00 0.00 178.83 175.82 2dba h ALA 108 N 1.58 0.20 -0.48 3.87 0.00 0.09 -3.30 119.26 121.22 2dba h ALA 108 Ca 0.46 -1.13 0.08 0.00 0.00 0.00 0.00 54.91 54.31 2dba h ALA 108 Cb 1.52 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.75 2dba h ALA 108 CO -0.09 0.92 0.10 -0.07 0.00 0.00 0.00 179.25 180.11 2dba h LEU 109 N -0.19 0.01 0.47 0.00 3.38 0.65 0.38 115.31 120.02 2dba h LEU 109 Ca -0.33 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2dba h LEU 109 Cb 1.86 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 2dba h LEU 109 CO 0.08 0.04 -0.40 -0.33 0.09 0.00 0.00 178.44 177.92 2dba h GLU 110 N 0.23 -0.84 -0.79 1.13 5.08 -1.13 0.51 114.58 118.77 2dba h GLU 110 Ca 0.24 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 2dba h GLU 110 Cb 0.31 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2dba h GLU 110 CO -0.31 -0.56 0.40 -0.22 -1.00 0.00 0.00 179.01 177.33 2dba h LYS 111 N -0.87 0.61 0.00 2.33 1.63 -1.56 0.23 116.57 118.94 2dba h LYS 111 Ca -0.05 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2dba h LYS 111 Cb 0.75 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2dba h LYS 111 CO -0.02 0.40 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.27 2dba h LEU 112 N 0.63 0.00 0.00 5.20 3.38 -0.54 -3.45 115.31 120.53 2dba h LEU 112 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2dba h LEU 112 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2dba h LEU 112 CO -0.31 0.04 0.00 0.61 0.09 0.00 0.00 178.44 178.87 2dba n GLY 113 N -0.95 1.12 3.47 0.83 0.00 0.82 -5.05 105.19 105.43 2dba n GLY 113 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2dba n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dba s ARG 114 N -0.16 3.96 -0.09 1.61 0.52 0.17 -4.80 118.95 120.16 2dba s ARG 114 Ca 0.00 -2.34 -0.21 0.00 -0.52 0.00 0.00 55.73 52.66 2dba s ARG 114 Cb 0.00 -5.05 -0.18 0.00 0.52 0.00 0.00 34.95 30.25 2dba s ARG 114 CO 0.00 -1.79 0.76 -0.07 0.02 0.00 0.00 175.30 174.22 2dba h LEU 115 N 10.02 -0.07 -0.81 2.53 3.38 -1.83 -2.84 115.31 125.69 2dba h LEU 115 Ca 0.28 -0.54 0.20 0.00 0.09 0.00 0.00 57.88 57.90 2dba h LEU 115 Cb 0.91 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 2dba h LEU 115 CO 1.22 0.62 0.20 -0.78 0.09 0.00 0.00 178.44 179.79 2dba h ASP 116 N -0.89 -0.00 0.27 -0.43 3.58 -1.96 -1.19 116.42 115.79 2dba h ASP 116 Ca -0.01 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2dba h ASP 116 Cb 0.61 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2dba h ASP 116 CO 0.01 -0.10 -0.13 1.56 -2.88 0.00 0.00 179.24 177.71 2dba h GLN 117 N 0.24 -0.35 -0.78 0.28 1.08 -1.97 -3.03 115.11 110.58 2dba h GLN 117 Ca 0.48 0.02 0.21 0.00 -1.45 0.00 0.00 58.65 57.92 2dba h GLN 117 Cb 0.90 0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 28.27 2dba h GLN 117 CO -0.59 -0.11 0.01 0.00 -0.95 0.00 0.00 178.83 177.19 2dba n ALA 118 N -2.35 0.39 -0.22 3.87 0.00 -0.47 0.22 120.51 121.96 2dba n ALA 118 Ca -0.10 0.83 -0.07 0.00 0.00 0.00 0.00 53.44 54.11 2dba n ALA 118 Cb 0.22 -0.61 0.03 0.00 0.00 0.00 0.00 19.45 19.09 2dba n ALA 118 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dba h VAL 119 N 0.00 1.22 0.53 0.00 2.07 -1.40 -2.30 116.25 116.38 2dba h VAL 119 Ca 0.47 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2dba h VAL 119 Cb 0.97 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2dba h VAL 119 CO -0.73 0.26 -0.26 -0.07 0.02 0.00 0.00 177.57 176.79 2dba h LEU 120 N 0.84 -0.62 -1.57 2.57 3.38 0.27 0.13 115.31 120.32 2dba h LEU 120 Ca 0.21 0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.54 2dba h LEU 120 Cb 0.16 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 2dba h LEU 120 CO -0.02 -0.44 0.80 -0.78 0.09 0.00 0.00 178.44 178.09 2dba h ASP 121 N -0.72 0.26 -0.11 -0.43 1.82 -1.32 0.30 116.42 116.22 2dba h ASP 121 Ca -0.07 0.07 -0.13 0.00 -0.39 0.00 0.00 57.03 56.50 2dba h ASP 121 Cb 0.55 0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.61 2dba h ASP 121 CO 0.12 -0.01 -0.46 -0.07 -1.61 0.00 0.00 179.24 177.21 2dba h LEU 122 N 0.19 0.59 -0.99 2.28 3.38 -1.08 -3.11 115.31 116.57 2dba h LEU 122 Ca 0.66 -0.63 0.14 0.00 0.09 0.00 0.00 57.88 58.15 2dba h LEU 122 Cb 2.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2dba h LEU 122 CO -0.24 1.12 0.92 1.56 0.09 0.00 0.00 178.44 181.90 2dba h GLN 123 N 0.09 0.00 0.00 1.13 4.20 0.24 0.13 115.11 120.91 2dba h GLN 123 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2dba h GLN 123 Cb 1.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 2dba h GLN 123 CO 0.10 0.00 -0.32 0.00 -0.67 0.00 0.00 178.83 177.94 2dba h ARG 124 N 0.00 0.00 -0.11 1.46 3.08 -1.51 -3.20 114.38 114.10 2dba h ARG 124 Ca 0.23 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.32 2dba h ARG 124 Cb 2.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.13 2dba h ARG 124 CO -0.00 0.34 0.47 0.00 -1.07 0.00 0.00 179.97 179.70 2dba h VAL 126 N 0.00 1.34 0.07 0.00 2.07 -1.43 -3.10 116.25 115.19 2dba h VAL 126 Ca 0.05 -3.10 -0.27 0.00 0.82 0.00 0.00 66.70 64.20 2dba h VAL 126 Cb 0.99 2.68 0.03 0.00 -1.52 0.00 0.00 31.29 33.47 2dba h VAL 126 CO -0.00 0.78 -1.11 -1.28 0.02 0.00 0.00 177.57 175.98 2dba h SER 127 N 0.01 0.86 0.52 0.57 0.87 0.29 -3.23 113.55 113.43 2dba h SER 127 Ca -0.13 -0.79 -0.07 0.00 -1.23 0.00 0.00 61.79 59.57 2dba h SER 127 Cb 1.88 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 2dba h SER 127 CO 0.11 1.55 -0.33 -0.07 -0.53 0.00 0.00 176.83 177.57 2dba h LEU 128 N 0.27 0.00 -7.01 2.23 3.38 -1.39 -3.38 115.31 109.41 2dba h LEU 128 Ca -0.16 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.23 2dba h LEU 128 Cb 1.78 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.13 2dba h LEU 128 CO 0.21 0.33 -0.77 -1.61 0.09 0.00 0.00 178.44 176.70 2dba s GLU 129 N -4.00 0.76 0.27 1.13 0.41 -1.17 -4.98 118.70 111.11 2dba s GLU 129 Ca -0.02 -1.24 0.04 0.00 -0.41 0.00 0.00 54.97 53.34 2dba s GLU 129 Cb 0.13 -1.89 0.36 0.00 -1.78 0.00 0.00 34.13 30.95 2dba s GLU 129 CO 0.69 -1.06 1.65 -1.00 -0.49 0.00 0.00 175.26 175.05 2dba h PRO 130 N 7.70 0.30 0.01 0.39 0.13 -1.75 -3.20 132.00 135.58 2dba h PRO 130 Ca -0.09 -0.16 -0.20 0.00 -0.87 0.00 0.00 66.00 64.68 2dba h PRO 130 Cb 0.99 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.14 2dba h PRO 130 CO 0.45 0.70 -0.78 0.87 -0.23 0.00 0.00 178.00 179.00 2dba h LYS 131 N 0.24 0.52 -5.54 0.86 1.57 -1.94 -3.43 116.57 108.86 2dba h LYS 131 Ca 0.02 -0.57 -0.53 0.00 -1.87 0.00 0.00 60.65 57.69 2dba h LYS 131 Cb 0.90 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 2dba h LYS 131 CO 0.07 1.20 1.61 0.09 -0.57 0.00 0.00 179.45 181.85 2dba n ASN 132 N -4.07 1.66 0.12 0.86 5.03 -1.21 -4.78 115.26 112.86 2dba n ASN 132 Ca -0.11 -0.03 -0.21 0.00 0.87 0.00 0.00 54.58 55.09 2dba n ASN 132 Cb 0.76 -1.29 -0.14 0.00 -1.02 0.00 0.00 39.78 38.09 2dba n ASN 132 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2dba h LYS 133 N 15.24 0.50 -1.30 3.52 1.57 -1.87 -3.27 116.57 130.96 2dba h LYS 133 Ca -0.19 -0.77 0.38 0.00 -1.87 0.00 0.00 60.65 58.19 2dba h LYS 133 Cb 1.30 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.83 2dba h LYS 133 CO 1.19 1.36 1.16 0.28 -0.57 0.00 0.00 179.45 182.86 2dba h VAL 134 N 0.17 0.10 0.12 0.50 2.07 -1.98 1.64 116.25 118.87 2dba h VAL 134 Ca -0.20 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.02 2dba h VAL 134 Cb 2.02 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2dba h VAL 134 CO 0.24 0.00 -1.49 -0.26 0.02 0.00 0.00 177.57 176.08 2dba h PHE 135 N 0.00 0.47 -0.01 1.57 0.04 -1.92 -3.06 116.94 114.01 2dba h PHE 135 Ca 0.62 -0.34 -0.19 0.00 2.80 0.00 0.00 57.97 60.85 2dba h PHE 135 Cb 2.92 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 41.04 2dba h PHE 135 CO 0.00 1.37 -0.83 1.96 -0.60 0.00 0.00 178.31 180.21 2dba h GLN 136 N 0.07 0.24 -0.13 1.51 4.20 0.21 -2.80 115.11 118.42 2dba h GLN 136 Ca -0.23 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.09 2dba h GLN 136 Cb 2.01 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.85 2dba h GLN 136 CO 0.17 0.94 -0.58 1.05 -0.67 0.00 0.00 178.83 179.74 2dba h GLU 137 N 0.14 0.41 0.00 1.46 -0.00 -0.65 -2.91 114.58 113.04 2dba h GLU 137 Ca -0.04 -0.27 -0.09 0.00 -0.00 0.00 0.00 59.36 58.96 2dba h GLU 137 Cb 1.44 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 30.21 2dba h GLU 137 CO 0.13 0.87 -0.45 0.00 -0.00 0.00 0.00 179.01 179.56 2dba h ALA 138 N 1.07 0.91 0.32 1.06 0.00 -1.53 -1.30 119.26 119.79 2dba h ALA 138 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2dba h ALA 138 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dba h ALA 138 CO 0.10 0.56 -0.15 1.25 0.00 0.00 0.00 179.25 181.01 2dba h LEU 139 N 0.00 -0.36 -1.24 0.00 7.12 -1.35 -2.84 115.31 116.64 2dba h LEU 139 Ca -0.00 -0.17 -0.05 0.00 0.13 0.00 0.00 57.88 57.78 2dba h LEU 139 Cb 1.03 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 2dba h LEU 139 CO 0.06 0.09 -0.23 0.03 -0.13 0.00 0.00 178.44 178.25 2dba h ARG 140 N -0.94 0.00 -0.58 1.25 2.47 -1.59 0.34 114.38 115.34 2dba h ARG 140 Ca -0.04 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 2dba h ARG 140 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2dba h ARG 140 CO 0.07 0.23 0.04 -0.91 0.56 0.00 0.00 179.97 179.97 2dba h ASN 141 N 0.00 0.93 0.15 7.04 2.35 -1.25 -2.60 115.58 122.21 2dba h ASN 141 Ca -0.00 -0.23 -0.35 0.00 -0.55 0.00 0.00 56.30 55.17 2dba h ASN 141 Cb 0.69 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.75 2dba h ASN 141 CO 0.03 0.97 -2.18 2.30 -1.65 0.00 0.00 177.43 176.90 2dba n ILE 142 N -4.21 1.46 -0.36 2.81 -5.35 -1.07 -3.85 119.36 108.79 2dba n ILE 142 Ca 0.03 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 2dba n ILE 142 Cb 0.31 -0.67 0.14 0.00 -1.74 0.00 0.00 39.64 37.67 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 1.04 -5.75 7.28 0.87 -0.33 -3.44 113.55 113.23 2dba h SER 143 Ca -0.47 -0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 59.56 2dba h SER 143 Cb 2.17 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 63.86 2dba h SER 143 CO 0.04 0.71 -0.24 0.61 -0.53 0.00 0.00 176.83 177.42 2dba n GLY 144 N -1.36 2.70 3.56 5.77 0.00 -0.98 -5.02 105.19 109.85 2dba n GLY 144 Ca 0.13 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 43.60 2dba n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dba s PRO 145 N -4.13 2.55 0.13 1.61 0.04 -1.26 -4.83 135.00 129.10 2dba s PRO 145 Ca 0.31 -0.41 -0.25 0.00 0.04 0.00 0.00 61.00 60.69 2dba s PRO 145 Cb -0.02 -5.09 -0.04 0.00 0.04 0.00 0.00 34.50 29.39 2dba s PRO 145 CO 0.20 -3.46 1.63 1.03 0.04 0.00 0.00 177.00 176.45 2dba h SER 146 N 11.07 -0.76 -7.05 6.66 0.87 -1.90 -3.45 113.55 118.99 2dba h SER 146 Ca 0.11 0.11 -0.60 0.00 -1.23 0.00 0.00 61.79 60.18 2dba h SER 146 Cb 1.00 0.32 -0.30 0.00 -0.44 0.00 0.00 62.40 62.98 2dba h SER 146 CO 1.21 -0.32 -0.91 -1.54 -0.53 0.00 0.00 176.83 174.75 2dba n SER 147 N -5.37 -1.44 0.00 6.23 3.41 -1.26 -5.15 113.62 110.03 2dba n SER 147 Ca -0.04 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 2dba n SER 147 Cb 0.29 -1.91 0.00 0.00 -0.26 0.00 0.00 64.21 62.33 2dba n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49