#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dba s SER 2 N 0.00 -0.91 -0.19 1.61 1.04 -1.26 -5.16 113.70 108.83 2dba s SER 2 Ca 0.00 1.42 -0.30 0.00 0.48 0.00 0.00 55.95 57.56 2dba s SER 2 Cb 0.00 1.67 0.14 0.00 0.10 0.00 0.00 66.02 67.93 2dba s SER 2 CO 0.00 -0.23 1.09 -0.44 0.98 0.00 0.00 173.24 174.64 2dba s SER 3 N 2.19 -0.29 -0.30 7.02 0.01 -1.26 -5.16 113.70 115.92 2dba s SER 3 Ca -0.08 0.32 -0.18 0.00 1.31 0.00 0.00 55.95 57.33 2dba s SER 3 Cb -0.09 0.24 0.17 0.00 0.21 0.00 0.00 66.02 66.56 2dba s SER 3 CO -0.18 -0.26 1.22 -0.83 0.41 0.00 0.00 173.24 173.59 2dba s GLY 4 N -1.05 -0.10 0.00 3.44 0.00 -1.26 -5.17 107.32 103.18 2dba s GLY 4 Ca 0.01 3.12 -0.03 0.00 0.00 0.00 0.00 44.72 47.82 2dba s GLY 4 CO -0.01 3.97 0.05 -0.56 0.00 0.00 0.00 173.10 176.55 2dba s SER 5 N 2.99 0.09 -0.29 1.64 0.01 -1.26 -5.15 113.70 111.73 2dba s SER 5 Ca -0.09 -0.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.74 2dba s SER 5 Cb -0.09 0.14 0.15 0.00 0.21 0.00 0.00 66.02 66.44 2dba s SER 5 CO -0.07 -0.25 1.06 -0.94 0.41 0.00 0.00 173.24 173.44 2dba s SER 6 N -1.05 -0.40 -0.31 2.44 1.04 -1.26 -5.13 113.70 109.03 2dba s SER 6 Ca -0.11 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 56.86 2dba s SER 6 Cb -0.07 1.06 0.19 0.00 0.10 0.00 0.00 66.02 67.30 2dba s SER 6 CO 0.00 -0.11 1.13 -0.83 0.98 0.00 0.00 173.24 174.41 2dba s GLY 7 N 1.04 -1.52 0.22 7.32 0.00 -1.26 -5.18 107.32 107.94 2dba s GLY 7 Ca -0.06 1.56 -0.12 0.00 0.00 0.00 0.00 44.72 46.10 2dba s GLY 7 CO -0.13 4.40 0.42 1.06 0.00 0.00 0.00 173.10 178.86 2dba s MET 8 N 2.09 1.42 -0.19 2.90 1.00 -1.26 -5.18 119.30 120.08 2dba s MET 8 Ca 0.16 -1.20 -0.28 0.00 0.00 0.00 0.00 55.69 54.37 2dba s MET 8 Cb 0.04 0.45 0.10 0.00 0.00 0.00 0.00 34.83 35.42 2dba s MET 8 CO -0.17 -0.57 0.90 -0.08 0.00 0.00 0.00 175.02 175.10 2dba s THR 9 N -3.99 0.00 -0.08 2.05 -1.32 -1.26 -5.16 115.64 105.88 2dba s THR 9 Ca 0.20 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.70 2dba s THR 9 Cb 0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 2dba s THR 9 CO 0.05 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.66 2dba s VAL 10 N -0.51 1.13 0.15 5.08 1.01 -1.26 -5.14 120.40 120.87 2dba s VAL 10 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2dba s VAL 10 Cb -0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2dba s VAL 10 CO 0.01 0.36 0.07 -0.44 0.00 0.00 0.00 175.10 175.11 2dba s SER 11 N 0.91 0.32 0.00 3.32 0.01 -1.26 -5.12 113.70 111.88 2dba s SER 11 Ca -0.10 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2dba s SER 11 Cb -0.15 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2dba s SER 11 CO 0.01 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2dba n GLY 12 N -0.15 -1.36 3.64 3.44 0.00 -1.26 -5.17 105.19 104.32 2dba n GLY 12 Ca -0.03 0.73 -0.29 0.00 0.00 0.00 0.00 46.02 46.42 2dba n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dba s PRO 13 N 0.00 -0.27 -0.15 1.61 0.04 -1.26 -5.09 135.00 129.88 2dba s PRO 13 Ca 0.00 0.28 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 2dba s PRO 13 Cb 0.00 -1.68 0.12 0.00 0.04 0.00 0.00 34.50 32.98 2dba s PRO 13 CO 0.00 -3.15 0.94 0.20 0.04 0.00 0.00 177.00 175.03 2dba s GLY 14 N -3.61 -0.32 -0.28 0.56 0.00 -1.26 -5.17 107.32 97.24 2dba s GLY 14 Ca 0.68 1.93 -0.18 0.00 0.00 0.00 0.00 44.72 47.15 2dba s GLY 14 CO 0.57 1.06 0.72 -1.59 0.00 0.00 0.00 173.10 173.86 2dba s THR 15 N -1.05 0.00 1.24 0.90 2.01 -1.26 -5.18 115.64 112.30 2dba s THR 15 Ca -0.03 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 2dba s THR 15 Cb -0.01 -1.00 0.30 0.00 0.01 0.00 0.00 72.50 71.81 2dba s THR 15 CO 0.03 0.00 1.11 -2.16 -0.69 0.00 0.00 174.62 172.91 2dba s PRO 16 N 1.39 -1.53 0.02 4.92 0.04 -1.26 -5.09 135.00 133.49 2dba s PRO 16 Ca -0.08 -0.17 0.02 0.00 0.04 0.00 0.00 61.00 60.81 2dba s PRO 16 Cb -0.05 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.91 2dba s PRO 16 CO -0.16 -3.89 -0.08 -1.83 0.04 0.00 0.00 177.00 171.08 2dba s GLU 17 N -5.49 0.58 0.99 4.56 1.03 -1.26 -5.16 118.70 113.95 2dba s GLU 17 Ca 0.72 -0.47 -0.12 0.00 0.03 0.00 0.00 54.97 55.13 2dba s GLU 17 Cb -0.08 -0.50 0.18 0.00 -0.80 0.00 0.00 34.13 32.94 2dba s GLU 17 CO 0.56 0.12 1.09 -1.25 -1.33 0.00 0.00 175.26 174.45 2dba s PRO 18 N -0.74 0.50 -0.08 -4.83 0.04 -1.26 -5.09 135.00 123.55 2dba s PRO 18 Ca -0.02 0.55 -0.13 0.00 0.04 0.00 0.00 61.00 61.44 2dba s PRO 18 Cb -0.06 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2dba s PRO 18 CO 0.00 -2.69 0.33 1.03 0.04 0.00 0.00 177.00 175.71 2dba s ARG 19 N -4.96 0.51 0.31 4.56 0.52 -1.26 -5.15 118.95 113.49 2dba s ARG 19 Ca 0.65 0.19 -0.29 0.00 -0.52 0.00 0.00 55.73 55.76 2dba s ARG 19 Cb -0.19 0.24 -0.10 0.00 0.52 0.00 0.00 34.95 35.42 2dba s ARG 19 CO 0.58 -0.11 1.23 -1.25 0.02 0.00 0.00 175.30 175.77 2dba s PRO 20 N -0.47 4.46 0.29 3.54 0.04 -1.26 -5.04 135.00 136.57 2dba s PRO 20 Ca -0.06 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 2dba s PRO 20 Cb -0.04 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 2dba s PRO 20 CO 0.02 -0.03 0.38 0.00 0.04 0.00 0.00 177.00 177.41 2dba s ALA 21 N -1.15 0.78 0.22 8.56 0.00 -1.26 -5.13 121.76 123.78 2dba s ALA 21 Ca 0.47 -1.49 -0.22 0.00 0.00 0.00 0.00 51.96 50.72 2dba s ALA 21 Cb -0.37 1.23 -0.14 0.00 0.00 0.00 0.00 23.12 23.84 2dba s ALA 21 CO 0.48 -0.75 0.34 -2.37 0.00 0.00 0.00 175.76 173.46 2dba n THR 22 N -0.47 1.36 -1.18 0.00 5.66 -1.26 -4.90 114.28 113.48 2dba n THR 22 Ca 0.01 -0.42 -0.29 0.00 -3.05 0.00 0.00 64.05 60.30 2dba n THR 22 Cb 0.63 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.57 2dba n THR 22 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2dba s PRO 23 N -0.84 0.75 -0.43 1.09 0.04 -1.26 -4.32 135.00 130.03 2dba s PRO 23 Ca 0.53 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 2dba s PRO 23 Cb -0.71 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2dba s PRO 23 CO 0.49 -2.54 0.37 0.41 0.04 0.00 0.00 177.00 175.77 2dba n GLY 24 N -1.11 0.43 3.14 0.56 0.00 -1.26 -5.03 105.19 101.93 2dba n GLY 24 Ca 0.06 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2dba n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba s ALA 25 N -3.10 2.71 -0.08 4.61 0.00 -1.26 -4.99 121.76 119.63 2dba s ALA 25 Ca 0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 51.96 50.39 2dba s ALA 25 Cb -0.07 -1.77 -0.10 0.00 0.00 0.00 0.00 23.12 21.18 2dba s ALA 25 CO 0.23 -1.15 2.86 0.43 0.00 0.00 0.00 175.76 178.14 2dba n SER 26 N 4.57 5.54 -4.72 0.00 7.64 -1.26 -3.41 113.62 121.98 2dba n SER 26 Ca -0.14 -2.60 -0.39 0.00 1.01 0.00 0.00 58.87 56.75 2dba n SER 26 Cb 0.44 -1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.31 2dba n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dba s SER 27 N 1.63 6.85 0.39 6.43 0.01 -1.26 -4.73 113.70 123.02 2dba s SER 27 Ca 0.42 1.02 0.27 0.00 1.31 0.00 0.00 55.95 58.97 2dba s SER 27 Cb 0.22 -2.36 1.34 0.00 0.21 0.00 0.00 66.02 65.43 2dba s SER 27 CO -0.03 -0.07 1.44 0.55 0.41 0.00 0.00 173.24 175.54 2dba n VAL 28 N 3.76 -0.28 -0.04 3.43 3.14 -1.26 0.17 118.33 127.25 2dba n VAL 28 Ca -0.04 1.72 -0.14 0.00 -2.96 0.00 0.00 64.34 62.93 2dba n VAL 28 Cb 0.51 -2.82 -0.08 0.00 -1.06 0.00 0.00 33.84 30.40 2dba n VAL 28 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2dba h GLU 29 N 0.00 0.31 0.00 1.45 -0.00 -1.94 -3.11 114.58 111.29 2dba h GLU 29 Ca 0.80 -0.18 0.00 0.00 -0.00 0.00 0.00 59.36 59.98 2dba h GLU 29 Cb 2.46 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 31.22 2dba h GLU 29 CO -0.51 0.76 -0.12 0.37 -0.00 0.00 0.00 179.01 179.50 2dba h GLN 30 N -0.12 0.00 -1.26 1.06 4.15 0.10 -3.35 115.11 115.70 2dba h GLN 30 Ca 0.01 0.00 0.42 0.00 0.77 0.00 0.00 58.65 59.85 2dba h GLN 30 Cb 0.73 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.31 2dba h GLN 30 CO 0.04 0.00 0.84 1.47 -1.93 0.00 0.00 178.83 179.25 2dba n LEU 31 N -4.19 0.13 -0.27 -2.39 -0.00 0.46 -0.78 117.00 109.97 2dba n LEU 31 Ca -0.02 1.07 -0.00 0.00 -0.00 0.00 0.00 56.01 57.07 2dba n LEU 31 Cb 0.06 -0.53 0.04 0.00 -0.00 0.00 0.00 43.42 42.99 2dba n LEU 31 CO 0.03 -1.15 0.42 -1.14 -0.00 0.00 0.00 177.39 175.55 2dba n ARG 32 N -4.18 -0.15 -0.27 1.47 0.63 -1.17 0.22 116.66 113.20 2dba n ARG 32 Ca 0.34 1.09 0.08 0.00 -0.92 0.00 0.00 57.85 58.44 2dba n ARG 32 Cb 1.39 -1.62 0.23 0.00 0.45 0.00 0.00 32.46 32.91 2dba n ARG 32 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2dba h LYS 33 N 0.00 0.32 -0.98 -0.14 6.56 -1.21 0.38 116.57 121.50 2dba h LYS 33 Ca 0.26 -0.02 0.34 0.00 -1.06 0.00 0.00 60.65 60.17 2dba h LYS 33 Cb 0.44 -0.07 -0.17 0.00 -0.57 0.00 0.00 32.23 31.86 2dba h LYS 33 CO -0.71 0.21 0.39 1.49 -2.06 0.00 0.00 179.45 178.78 2dba h GLU 34 N 0.33 0.11 0.47 3.15 4.81 0.24 0.42 114.58 124.11 2dba h GLU 34 Ca 0.47 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2dba h GLU 34 Cb 0.82 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2dba h GLU 34 CO -0.51 0.07 -0.22 0.78 -0.73 0.00 0.00 179.01 178.40 2dba h GLY 35 N 0.12 -0.65 0.30 1.92 0.00 -0.94 -3.08 103.07 100.73 2dba h GLY 35 Ca 0.72 0.24 0.03 0.00 0.00 0.00 0.00 47.33 48.32 2dba h GLY 35 CO -0.74 -0.24 -0.36 3.43 0.00 0.00 0.00 176.54 178.63 2dba h ASN 36 N -1.12 -1.07 -0.95 0.19 2.35 -1.17 0.13 115.58 113.93 2dba h ASN 36 Ca -0.06 0.13 0.21 0.00 -0.55 0.00 0.00 56.30 56.03 2dba h ASN 36 Cb 0.48 0.41 -0.18 0.00 0.05 0.00 0.00 38.32 39.09 2dba h ASN 36 CO 0.11 -0.43 -0.15 -0.33 -1.65 0.00 0.00 177.43 174.97 2dba h GLU 37 N -0.55 0.01 -0.41 0.81 5.08 -0.35 0.71 114.58 119.88 2dba h GLU 37 Ca 0.04 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2dba h GLU 37 Cb 0.61 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2dba h GLU 37 CO -0.25 0.01 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.39 2dba h LEU 38 N 0.01 0.94 0.54 1.33 3.38 -1.29 -2.82 115.31 117.40 2dba h LEU 38 Ca 0.49 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2dba h LEU 38 Cb 0.85 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2dba h LEU 38 CO -0.95 1.16 -0.34 0.15 0.09 0.00 0.00 178.44 178.56 2dba h PHE 39 N 0.76 -0.89 0.00 1.13 3.57 0.23 0.20 116.94 121.94 2dba h PHE 39 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2dba h PHE 39 Cb 0.87 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2dba h PHE 39 CO 0.05 -0.51 0.00 0.36 -2.23 0.00 0.00 178.31 175.98 2dba n LYS 40 N -5.47 0.10 -0.00 1.11 2.85 0.38 -0.85 118.16 116.27 2dba n LYS 40 Ca -0.12 0.22 0.08 0.00 -1.05 0.00 0.00 58.31 57.44 2dba n LYS 40 Cb 0.37 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.15 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 1.41 2.55 3.56 0.00 0.00 0.06 -5.00 105.19 107.77 2dba n GLY 42 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2dba n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dba s ASP 43 N -1.30 5.69 -0.10 1.61 1.11 0.50 -4.75 116.67 119.43 2dba s ASP 43 Ca 0.00 -1.23 -0.26 0.00 0.18 0.00 0.00 52.55 51.24 2dba s ASP 43 Cb 0.00 -2.57 -0.27 0.00 1.07 0.00 0.00 42.92 41.15 2dba s ASP 43 CO 0.00 -2.28 0.84 1.88 1.18 0.00 0.00 175.17 176.80 2dba h TYR 44 N 10.25 0.19 -1.22 4.23 -1.99 -1.90 -1.96 116.97 124.57 2dba h TYR 44 Ca 0.18 -0.13 0.35 0.00 2.00 0.00 0.00 58.73 61.12 2dba h TYR 44 Cb 0.98 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 39.63 2dba h TYR 44 CO 1.26 1.08 0.84 0.78 -0.00 0.00 0.00 178.16 182.12 2dba h GLY 45 N -0.75 0.47 0.40 3.88 0.00 -1.97 -0.79 103.07 104.31 2dba h GLY 45 Ca -0.05 -0.07 -0.37 0.00 0.00 0.00 0.00 47.33 46.85 2dba h GLY 45 CO 0.05 -0.08 -2.16 0.61 0.00 0.00 0.00 176.54 174.96 2dba n GLY 46 N -1.67 -0.54 0.37 4.60 0.00 -1.24 -4.00 105.19 102.71 2dba n GLY 46 Ca 0.28 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 0.15 1.64 -0.58 4.61 0.00 -0.39 -1.20 119.26 123.48 2dba h ALA 47 Ca -0.47 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2dba h ALA 47 Cb 2.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2dba h ALA 47 CO 0.02 0.15 -0.06 1.25 0.00 0.00 0.00 179.25 180.61 2dba h LEU 48 N 0.89 1.05 -0.44 0.00 7.12 -1.39 -2.96 115.31 119.59 2dba h LEU 48 Ca 0.45 -0.33 0.06 0.00 0.13 0.00 0.00 57.88 58.19 2dba h LEU 48 Cb 0.49 -0.29 -0.05 0.00 -0.53 0.00 0.00 40.66 40.28 2dba h LEU 48 CO -0.21 1.13 0.13 0.00 -0.13 0.00 0.00 178.44 179.36 2dba h ALA 49 N 0.96 0.51 -0.22 1.25 0.00 -1.36 -1.89 119.26 118.50 2dba h ALA 49 Ca 0.16 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2dba h ALA 49 Cb 0.63 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2dba h ALA 49 CO 0.04 -0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.09 2dba h ALA 50 N 1.30 0.24 -0.94 0.00 0.00 -1.39 -2.27 119.26 116.20 2dba h ALA 50 Ca 0.21 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.26 2dba h ALA 50 Cb 0.22 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2dba h ALA 50 CO -0.23 -0.35 0.58 1.88 0.00 0.00 0.00 179.25 181.12 2dba h TYR 51 N 0.17 1.04 -0.11 0.00 0.05 -1.28 -2.08 116.97 114.77 2dba h TYR 51 Ca 0.10 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.94 2dba h TYR 51 Cb 0.08 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 2dba h TYR 51 CO -0.13 0.42 -0.09 1.15 -1.05 0.00 0.00 178.16 178.46 2dba h THR 52 N 0.93 0.74 0.31 -2.88 2.02 -0.77 -2.91 112.91 110.34 2dba h THR 52 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.64 2dba h THR 52 Cb 0.45 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2dba h THR 52 CO -0.26 0.00 -0.50 1.56 0.37 0.00 0.00 175.52 176.69 2dba h GLN 53 N -0.10 -0.84 -0.86 6.66 4.20 -1.13 -0.90 115.11 122.14 2dba h GLN 53 Ca 0.07 0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.97 2dba h GLN 53 Cb 0.21 0.19 -0.13 0.00 0.30 0.00 0.00 27.48 28.05 2dba h GLN 53 CO -0.17 -0.56 -0.35 0.00 -0.67 0.00 0.00 178.83 177.08 2dba n ALA 54 N -2.86 -0.15 -0.16 3.87 0.00 -1.03 0.17 120.51 120.34 2dba n ALA 54 Ca -0.10 0.84 -0.03 0.00 0.00 0.00 0.00 53.44 54.15 2dba n ALA 54 Cb 0.43 -0.35 0.18 0.00 0.00 0.00 0.00 19.45 19.71 2dba n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dba h LEU 55 N 0.00 0.83 -1.35 0.00 3.38 -1.28 -2.58 115.31 114.30 2dba h LEU 55 Ca 0.28 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2dba h LEU 55 Cb 0.49 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2dba h LEU 55 CO -0.85 0.77 0.53 1.23 0.09 0.00 0.00 178.44 180.21 2dba h GLY 56 N 1.00 1.06 -2.58 0.83 0.00 0.31 -3.42 103.07 100.25 2dba h GLY 56 Ca 0.20 -0.29 -0.46 0.00 0.00 0.00 0.00 47.33 46.78 2dba h GLY 56 CO -0.01 0.14 0.36 1.08 0.00 0.00 0.00 176.54 178.11 2dba s LEU 57 N -9.72 4.14 -1.14 3.11 1.43 -0.64 -4.92 118.68 110.94 2dba s LEU 57 Ca -0.10 1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.59 2dba s LEU 57 Cb 0.21 -4.26 -0.12 0.00 0.03 0.00 0.00 46.19 42.05 2dba s LEU 57 CO 0.78 -0.28 1.96 -0.67 0.23 0.00 0.00 176.35 178.37 2dba n ASP 58 N -0.05 2.74 -4.95 2.29 2.03 -1.26 -4.91 116.55 112.44 2dba n ASP 58 Ca 0.05 -2.66 -0.23 0.00 0.52 0.00 0.00 54.79 52.46 2dba n ASP 58 Cb 0.52 -1.69 -0.01 0.00 -0.72 0.00 0.00 41.12 39.21 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dba s ALA 59 N 11.73 3.74 0.89 -1.67 0.00 -1.26 -5.06 121.76 130.13 2dba s ALA 59 Ca 0.70 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 2dba s ALA 59 Cb -0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.98 2dba s ALA 59 CO 0.15 -0.04 -0.14 0.25 0.00 0.00 0.00 175.76 175.98 2dba n THR 60 N -1.78 0.29 0.45 0.00 -2.24 -1.26 -4.68 114.28 105.06 2dba n THR 60 Ca -0.04 -0.39 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 2dba n THR 60 Cb 0.56 -0.32 0.38 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.55 0.08 -0.03 -0.78 -0.04 -1.26 -2.36 135.00 131.15 2dba n PRO 61 Ca 0.04 0.32 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 2dba n PRO 61 Cb 0.53 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2dba n PRO 61 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dba n GLN 62 N -1.79 0.65 0.11 0.54 7.27 -1.26 -4.26 117.38 118.63 2dba n GLN 62 Ca 0.03 0.13 -0.18 0.00 0.07 0.00 0.00 57.00 57.05 2dba n GLN 62 Cb 0.19 -1.69 -0.14 0.00 2.41 0.00 0.00 30.24 31.01 2dba n GLN 62 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2dba h ASP 63 N 0.00 0.54 -0.60 1.69 3.32 -1.81 -3.25 116.42 116.33 2dba h ASP 63 Ca -0.30 -0.57 0.15 0.00 0.02 0.00 0.00 57.03 56.33 2dba h ASP 63 Cb 1.84 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 41.19 2dba h ASP 63 CO 0.05 1.44 0.42 1.56 -1.72 0.00 0.00 179.24 180.98 2dba h GLN 64 N 0.11 0.11 0.00 3.56 4.20 -1.65 -2.37 115.11 119.07 2dba h GLN 64 Ca -0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2dba h GLN 64 Cb 2.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2dba h GLN 64 CO 0.22 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.46 2dba n ALA 65 N -2.61 -0.10 -0.60 3.87 0.00 -1.23 -2.54 120.51 117.30 2dba n ALA 65 Ca 0.11 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.00 2dba n ALA 65 Cb 0.59 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.73 2dba n ALA 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2dba n VAL 66 N -1.94 0.00 0.01 0.00 3.14 -1.17 0.22 118.33 118.59 2dba n VAL 66 Ca 0.00 1.26 -0.18 0.00 -2.96 0.00 0.00 64.34 62.47 2dba n VAL 66 Cb 0.00 -2.11 -0.12 0.00 -1.06 0.00 0.00 33.84 30.55 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 0.44 0.17 6.55 3.38 -1.50 -3.20 115.31 121.14 2dba h LEU 67 Ca 0.80 -0.83 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dba h LEU 67 Cb 3.22 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 43.79 2dba h LEU 67 CO -0.01 1.21 -0.42 0.45 0.09 0.00 0.00 178.44 179.77 2dba h HIS 68 N -0.29 -1.16 -0.59 1.13 3.86 0.30 0.21 115.15 118.61 2dba h HIS 68 Ca -0.08 0.03 0.17 0.00 -1.16 0.00 0.00 60.37 59.32 2dba h HIS 68 Cb 1.33 0.49 -0.02 0.00 1.06 0.00 0.00 27.41 30.27 2dba h HIS 68 CO 0.17 -0.52 0.50 0.07 0.86 0.00 0.00 177.93 179.01 2dba h ARG 69 N -0.68 0.00 0.01 2.45 0.11 -1.60 -1.15 114.38 113.52 2dba h ARG 69 Ca 0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 2dba h ARG 69 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2dba h ARG 69 CO -0.21 0.00 -0.08 -0.91 0.10 0.00 0.00 179.97 178.87 2dba h ASN 70 N 0.00 0.05 -0.68 0.08 2.35 -1.03 -3.33 115.58 113.02 2dba h ASN 70 Ca 0.28 -0.93 0.15 0.00 -0.55 0.00 0.00 56.30 55.25 2dba h ASN 70 Cb 1.28 -0.02 -0.11 0.00 0.05 0.00 0.00 38.32 39.53 2dba h ASN 70 CO -0.00 0.97 0.08 0.03 -1.65 0.00 0.00 177.43 176.86 2dba h ARG 71 N -0.87 0.17 -0.61 0.81 2.47 0.57 -0.75 114.38 116.17 2dba h ARG 71 Ca -0.01 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.82 2dba h ARG 71 Cb 0.99 -0.04 -0.11 0.00 -1.65 0.00 0.00 29.97 29.16 2dba h ARG 71 CO 0.01 0.11 -0.13 0.00 0.56 0.00 0.00 179.97 180.53 2dba h ALA 72 N 1.60 0.44 -0.24 0.04 0.00 -1.55 -2.57 119.26 116.98 2dba h ALA 72 Ca 0.37 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.53 2dba h ALA 72 Cb 0.62 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2dba h ALA 72 CO -0.53 -0.42 -0.16 0.00 0.00 0.00 0.00 179.25 178.13 2dba h ALA 73 N 1.60 -0.20 -0.86 0.00 0.00 -1.23 0.85 119.26 119.43 2dba h ALA 73 Ca 0.30 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.39 2dba h ALA 73 Cb 0.46 1.05 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 2dba h ALA 73 CO -0.61 -0.31 -0.31 0.00 0.00 0.00 0.00 179.25 178.02 2dba h HIS 75 N -0.04 -0.65 -1.61 0.00 3.86 -0.89 0.37 115.15 116.19 2dba h HIS 75 Ca 0.35 0.01 0.51 0.00 -1.16 0.00 0.00 60.37 60.08 2dba h HIS 75 Cb 0.61 0.26 -0.11 0.00 1.06 0.00 0.00 27.41 29.23 2dba h HIS 75 CO -0.74 -0.29 1.10 -0.07 0.86 0.00 0.00 177.93 178.79 2dba h LEU 76 N -0.41 0.12 0.23 2.43 3.38 -0.04 1.33 115.31 122.35 2dba h LEU 76 Ca -0.02 0.09 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 2dba h LEU 76 Cb 0.37 0.09 0.03 0.00 0.09 0.00 0.00 40.66 41.24 2dba h LEU 76 CO -0.06 -0.14 -1.52 0.11 0.09 0.00 0.00 178.44 176.92 2dba h LYS 77 N 0.01 0.49 -1.84 1.13 1.79 -0.28 -3.33 116.57 114.54 2dba h LYS 77 Ca 0.89 -0.84 -0.41 0.00 -2.18 0.00 0.00 60.65 58.11 2dba h LYS 77 Cb 3.17 0.31 -0.15 0.00 -1.58 0.00 0.00 32.23 33.98 2dba h LYS 77 CO -0.26 1.40 0.33 1.28 -1.08 0.00 0.00 179.45 181.12 2dba n LEU 78 N -3.67 6.36 -4.06 2.94 4.77 0.45 -4.82 117.00 118.97 2dba n LEU 78 Ca -0.18 -3.72 -0.33 0.00 -0.03 0.00 0.00 56.01 51.75 2dba n LEU 78 Cb 1.10 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2dba n LEU 78 CO 0.58 1.55 -0.30 -0.62 -1.33 0.00 0.00 177.39 177.28 2dba n GLU 79 N 0.84 -0.67 -1.65 3.23 4.71 -1.01 -4.82 120.64 121.26 2dba n GLU 79 Ca 0.42 0.03 -0.00 0.00 -0.01 0.00 0.00 57.16 57.60 2dba n GLU 79 Cb 0.59 -2.59 0.07 0.00 -1.01 0.00 0.00 31.44 28.50 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2dba n ASP 80 N -2.12 1.82 -0.25 1.62 8.00 -0.49 -4.89 116.55 120.24 2dba n ASP 80 Ca -0.20 -2.70 0.06 0.00 0.71 0.00 0.00 54.79 52.65 2dba n ASP 80 Cb 0.55 -0.40 0.17 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.51 0.07 -0.64 1.24 -1.99 -1.84 -1.87 116.97 113.46 2dba h TYR 81 Ca -0.07 0.05 0.06 0.00 2.00 0.00 0.00 58.73 60.76 2dba h TYR 81 Cb 1.49 0.09 -0.08 0.00 2.00 0.00 0.00 36.73 40.24 2dba h TYR 81 CO 0.48 -0.20 -0.37 -0.25 -0.00 0.00 0.00 178.16 177.82 2dba n ASP 82 N -5.28 -0.67 -0.00 3.88 8.00 -1.26 -0.38 116.55 120.82 2dba n ASP 82 Ca 0.14 1.35 -0.12 0.00 0.71 0.00 0.00 54.79 56.87 2dba n ASP 82 Cb 0.48 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 2dba n ASP 82 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dba h LYS 83 N 0.00 0.09 -0.87 -1.24 1.57 -1.79 -3.12 116.57 111.21 2dba h LYS 83 Ca 0.10 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.02 2dba h LYS 83 Cb 0.26 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.40 2dba h LYS 83 CO -0.60 0.25 -0.31 0.00 -0.57 0.00 0.00 179.45 178.22 2dba h ALA 84 N 0.84 0.28 -0.86 3.86 0.00 -0.20 0.31 119.26 123.49 2dba h ALA 84 Ca 0.02 0.28 0.20 0.00 0.00 0.00 0.00 54.91 55.41 2dba h ALA 84 Cb 0.20 0.83 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 2dba h ALA 84 CO -0.00 -0.55 -0.03 1.49 0.00 0.00 0.00 179.25 180.16 2dba h GLU 85 N -0.04 0.05 -0.09 0.00 4.22 -0.64 0.56 114.58 118.64 2dba h GLU 85 Ca 0.35 -0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.63 2dba h GLU 85 Cb 0.61 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2dba h GLU 85 CO -0.89 0.04 -0.63 1.15 -2.18 0.00 0.00 179.01 176.49 2dba h THR 86 N 0.06 1.37 0.00 0.32 2.02 -0.56 -2.27 112.91 113.86 2dba h THR 86 Ca 0.47 -2.00 -0.04 0.00 0.77 0.00 0.00 66.41 65.61 2dba h THR 86 Cb 0.86 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2dba h THR 86 CO -0.80 0.60 -0.18 -0.33 0.37 0.00 0.00 175.52 175.18 2dba h GLU 87 N 0.25 0.00 0.09 6.66 5.08 0.18 -1.71 114.58 125.13 2dba h GLU 87 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 2dba h GLU 87 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2dba h GLU 87 CO 0.11 0.18 -1.03 0.00 -1.00 0.00 0.00 179.01 177.27 2dba h ALA 88 N 1.82 0.10 0.00 3.43 0.00 -0.65 -2.91 119.26 121.06 2dba h ALA 88 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2dba h ALA 88 Cb 0.39 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dba h ALA 88 CO 0.02 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.51 2dba h SER 89 N -0.53 0.00 0.34 0.00 4.64 -1.29 -1.67 113.55 115.04 2dba h SER 89 Ca -0.23 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.78 2dba h SER 89 Cb 1.55 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.59 2dba h SER 89 CO 0.03 0.00 -1.88 2.29 -0.87 0.00 0.00 176.83 176.40 2dba n LYS 90 N -2.62 0.66 0.16 4.77 2.85 -0.65 -3.58 118.16 119.74 2dba n LYS 90 Ca -0.00 0.24 0.04 0.00 -1.05 0.00 0.00 58.31 57.53 2dba n LYS 90 Cb 0.15 -1.73 0.18 0.00 -0.65 0.00 0.00 35.03 32.98 2dba n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dba h ALA 91 N 0.83 0.81 0.14 0.58 0.00 -1.17 -3.14 119.26 117.33 2dba h ALA 91 Ca -0.36 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2dba h ALA 91 Cb 2.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2dba h ALA 91 CO 0.07 0.59 -0.07 0.82 0.00 0.00 0.00 179.25 180.66 2dba h ILE 92 N 0.00 0.58 -0.99 0.00 2.04 -1.48 -2.86 117.51 114.80 2dba h ILE 92 Ca -0.00 -1.16 0.24 0.00 1.00 0.00 0.00 64.86 64.93 2dba h ILE 92 Cb 1.16 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 2dba h ILE 92 CO 0.06 0.17 0.65 1.05 0.00 0.00 0.00 178.15 180.08 2dba h GLU 93 N -0.97 0.39 0.49 2.37 4.11 -1.67 0.89 114.58 120.19 2dba h GLU 93 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2dba h GLU 93 Cb 0.43 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2dba h GLU 93 CO 0.03 0.26 -0.23 0.87 0.07 0.00 0.00 179.01 180.00 2dba h LYS 94 N 0.40 -0.63 0.12 1.06 1.79 -1.61 -3.38 116.57 114.32 2dba h LYS 94 Ca 0.55 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 59.05 2dba h LYS 94 Cb 1.39 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.18 2dba h LYS 94 CO -0.24 -0.33 -0.06 -0.44 -1.08 0.00 0.00 179.45 177.30 2dba h ASP 95 N -1.00 -0.14 0.00 0.86 3.32 -1.07 -3.49 116.42 114.90 2dba h ASP 95 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2dba h ASP 95 Cb 0.60 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2dba h ASP 95 CO 0.11 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 2dba n GLY 96 N 0.80 1.00 0.00 2.75 0.00 0.30 -4.90 105.19 105.14 2dba n GLY 96 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.47 0.00 2.96 -0.02 0.00 -1.26 -5.09 105.19 100.30 2dba n GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2dba n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dba s ASP 98 N 0.00 4.43 0.40 1.61 1.11 -1.26 -4.94 116.67 118.01 2dba s ASP 98 Ca 0.00 -3.06 0.10 0.00 0.18 0.00 0.00 52.55 49.77 2dba s ASP 98 Cb 0.00 -1.66 0.89 0.00 1.07 0.00 0.00 42.92 43.22 2dba s ASP 98 CO 0.00 -0.23 1.96 -0.37 1.18 0.00 0.00 175.17 177.71 2dba h VAL 99 N 5.39 0.94 -1.14 -1.27 -1.51 -1.97 -2.16 116.25 114.53 2dba h VAL 99 Ca -0.06 -0.20 0.43 0.00 -1.23 0.00 0.00 66.70 65.65 2dba h VAL 99 Cb 0.89 0.31 -0.16 0.00 -2.13 0.00 0.00 31.29 30.20 2dba h VAL 99 CO 0.69 0.11 0.68 0.29 -1.23 0.00 0.00 177.57 178.11 2dba n LYS 100 N -4.48 -0.05 -0.02 5.19 4.76 -1.26 0.35 118.16 122.65 2dba n LYS 100 Ca 0.11 1.28 -0.13 0.00 -2.87 0.00 0.00 58.31 56.70 2dba n LYS 100 Cb 0.33 -2.39 -0.10 0.00 -1.84 0.00 0.00 35.03 31.02 2dba n LYS 100 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dba h ALA 101 N 1.75 -0.04 -1.00 7.82 0.00 -1.75 -3.19 119.26 122.84 2dba h ALA 101 Ca 0.84 -0.33 0.19 0.00 0.00 0.00 0.00 54.91 55.61 2dba h ALA 101 Cb 2.45 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 20.07 2dba h ALA 101 CO -0.61 -0.16 -0.27 1.28 0.00 0.00 0.00 179.25 179.49 2dba n LEU 102 N -4.77 -0.40 -0.19 0.00 4.77 0.16 0.74 117.00 117.30 2dba n LEU 102 Ca -0.09 1.72 -0.06 0.00 -0.03 0.00 0.00 56.01 57.56 2dba n LEU 102 Cb 0.33 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2dba n LEU 102 CO 0.31 -1.64 1.10 0.22 -1.33 0.00 0.00 177.39 176.05 2dba h TYR 103 N 0.00 0.67 -0.80 -1.77 3.20 -1.54 -2.20 116.97 114.54 2dba h TYR 103 Ca 0.46 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.34 2dba h TYR 103 Cb 0.71 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 2dba h TYR 103 CO -0.79 0.41 0.47 0.00 -1.64 0.00 0.00 178.16 176.62 2dba h ARG 104 N 0.72 1.09 0.67 1.82 2.47 0.34 -2.93 114.38 118.56 2dba h ARG 104 Ca 0.21 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 2dba h ARG 104 Cb -0.05 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.05 2dba h ARG 104 CO -0.06 0.78 -0.32 -0.09 0.56 0.00 0.00 179.97 180.83 2dba h ARG 105 N 1.11 -0.87 -0.82 0.04 2.43 -0.19 -2.98 114.38 113.10 2dba h ARG 105 Ca 0.29 0.06 0.19 0.00 -0.81 0.00 0.00 59.98 59.71 2dba h ARG 105 Cb -0.03 0.20 -0.15 0.00 -0.42 0.00 0.00 29.97 29.58 2dba h ARG 105 CO -0.05 -0.57 -0.01 0.66 -1.51 0.00 0.00 179.97 178.48 2dba h SER 106 N -0.94 -0.42 -0.97 -3.80 4.64 -1.29 0.31 113.55 111.08 2dba h SER 106 Ca -0.09 0.22 0.31 0.00 -0.47 0.00 0.00 61.79 61.76 2dba h SER 106 Cb 0.70 0.39 -0.16 0.00 -0.31 0.00 0.00 62.40 63.03 2dba h SER 106 CO 0.15 -0.22 0.38 1.56 -0.87 0.00 0.00 176.83 177.83 2dba h GLN 107 N 0.08 0.16 0.24 4.77 1.08 -1.36 -1.00 115.11 119.08 2dba h GLN 107 Ca 0.45 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.63 2dba h GLN 107 Cb 0.81 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2dba h GLN 107 CO -0.74 0.10 -0.12 0.00 -0.95 0.00 0.00 178.83 177.12 2dba h ALA 108 N 1.89 -0.32 -0.84 3.87 0.00 -0.44 -3.23 119.26 120.18 2dba h ALA 108 Ca 0.69 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.60 2dba h ALA 108 Cb 1.59 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 19.35 2dba h ALA 108 CO -0.71 -0.34 -0.23 1.28 0.00 0.00 0.00 179.25 179.24 2dba n LEU 109 N -4.99 -0.35 -0.14 0.00 4.77 -0.47 0.13 117.00 115.96 2dba n LEU 109 Ca -0.06 1.46 -0.04 0.00 -0.03 0.00 0.00 56.01 57.33 2dba n LEU 109 Cb 0.22 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2dba n LEU 109 CO 0.19 -1.38 0.93 -0.33 -1.33 0.00 0.00 177.39 175.47 2dba h GLU 110 N 0.00 0.27 0.00 3.23 5.08 -1.18 0.51 114.58 122.50 2dba h GLU 110 Ca 0.39 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 2dba h GLU 110 Cb 0.60 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2dba h GLU 110 CO -0.86 0.18 -0.19 0.87 -1.00 0.00 0.00 179.01 178.00 2dba h LYS 111 N 0.28 0.00 -0.13 2.33 6.56 0.11 -1.72 116.57 124.00 2dba h LYS 111 Ca 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 2dba h LYS 111 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 2dba h LYS 111 CO -0.25 0.19 0.00 1.28 -2.06 0.00 0.00 179.45 178.61 2dba n LEU 112 N -3.62 1.00 0.00 2.94 4.77 0.59 -4.86 117.00 117.82 2dba n LEU 112 Ca -0.01 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2dba n LEU 112 Cb 0.33 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2dba n LEU 112 CO 0.32 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2dba n GLY 113 N 0.93 0.95 3.41 -0.72 0.00 -0.65 -4.99 105.19 104.12 2dba n GLY 113 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.41 3.97 -0.01 1.61 0.52 0.16 -4.79 118.95 120.00 2dba s ARG 114 Ca 0.00 -2.59 -0.11 0.00 -0.52 0.00 0.00 55.73 52.51 2dba s ARG 114 Cb 0.00 -4.82 -0.32 0.00 0.52 0.00 0.00 34.95 30.33 2dba s ARG 114 CO 0.00 -1.56 0.82 -0.07 0.02 0.00 0.00 175.30 174.51 2dba h LEU 115 N 8.77 0.66 -1.05 2.53 3.38 -1.83 -2.99 115.31 124.78 2dba h LEU 115 Ca 0.22 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 2dba h LEU 115 Cb 0.92 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2dba h LEU 115 CO 1.09 1.71 0.37 0.44 0.09 0.00 0.00 178.44 182.14 2dba h ASP 116 N 0.12 0.94 0.10 -0.43 5.19 -1.96 -3.04 116.42 117.34 2dba h ASP 116 Ca -0.30 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.02 2dba h ASP 116 Cb 2.11 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 41.38 2dba h ASP 116 CO 0.21 0.78 -0.05 1.56 -3.12 0.00 0.00 179.24 178.62 2dba h GLN 117 N 1.04 -0.13 -0.98 3.56 7.50 -1.96 -3.11 115.11 121.02 2dba h GLN 117 Ca 0.26 0.01 0.36 0.00 0.50 0.00 0.00 58.65 59.78 2dba h GLN 117 Cb 0.08 0.03 -0.18 0.00 0.05 0.00 0.00 27.48 27.46 2dba h GLN 117 CO -0.04 0.29 0.34 0.00 -1.50 0.00 0.00 178.83 177.92 2dba n ALA 118 N -2.41 0.82 0.04 3.87 0.00 -1.15 0.35 120.51 122.02 2dba n ALA 118 Ca -0.09 1.02 -0.13 0.00 0.00 0.00 0.00 53.44 54.25 2dba n ALA 118 Cb 0.25 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 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 1.13 0.58 0.00 2.07 -1.52 -2.07 116.25 116.44 2dba h VAL 119 Ca 0.74 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2dba h VAL 119 Cb 1.84 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2dba h VAL 119 CO -0.82 0.16 -0.43 -0.07 0.02 0.00 0.00 177.57 176.43 2dba h LEU 120 N -0.36 -1.12 -1.85 2.57 3.38 -0.04 0.24 115.31 118.13 2dba h LEU 120 Ca -0.01 0.07 0.28 0.00 0.09 0.00 0.00 57.88 58.32 2dba h LEU 120 Cb 0.32 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2dba h LEU 120 CO 0.01 -0.62 0.72 -0.78 0.09 0.00 0.00 178.44 177.86 2dba h ASP 121 N -0.97 0.11 -0.00 -0.43 3.58 -1.09 -0.46 116.42 117.16 2dba h ASP 121 Ca -0.08 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2dba h ASP 121 Cb 0.80 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2dba h ASP 121 CO 0.03 0.03 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.29 2dba h LEU 122 N 0.10 0.06 -1.16 2.28 3.38 -0.62 -3.21 115.31 116.14 2dba h LEU 122 Ca 0.51 -0.75 0.34 0.00 0.09 0.00 0.00 57.88 58.07 2dba h LEU 122 Cb 1.81 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.50 2dba h LEU 122 CO -0.07 0.80 1.20 0.00 0.09 0.00 0.00 178.44 180.45 2dba n GLN 123 N -4.68 0.01 -0.02 1.13 6.02 0.78 0.69 117.38 121.32 2dba n GLN 123 Ca -0.09 0.98 -0.08 0.00 -0.01 0.00 0.00 57.00 57.79 2dba n GLN 123 Cb 0.40 -2.39 -0.07 0.00 1.02 0.00 0.00 30.24 29.19 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 -0.07 -0.32 -1.09 3.08 -1.55 -3.15 114.38 111.28 2dba h ARG 124 Ca 0.55 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.70 2dba h ARG 124 Cb 2.94 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 33.00 2dba h ARG 124 CO -0.01 0.41 0.68 0.00 -1.07 0.00 0.00 179.97 179.99 2dba h VAL 126 N 0.00 1.22 0.67 0.00 2.07 -1.52 -2.97 116.25 115.72 2dba h VAL 126 Ca 0.15 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 64.99 2dba h VAL 126 Cb 1.51 3.00 0.01 0.00 -1.52 0.00 0.00 31.29 34.28 2dba h VAL 126 CO -0.00 0.81 -0.32 -1.28 0.02 0.00 0.00 177.57 176.80 2dba h SER 127 N 0.10 -0.76 -1.00 0.57 0.87 0.16 -2.47 113.55 111.02 2dba h SER 127 Ca -0.27 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.36 2dba h SER 127 Cb 2.13 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 64.22 2dba h SER 127 CO 0.25 -0.55 0.65 -0.07 -0.53 0.00 0.00 176.83 176.58 2dba h LEU 128 N -0.91 1.06 -7.31 2.23 3.38 -1.63 -3.30 115.31 108.84 2dba h LEU 128 Ca -0.09 -0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.23 2dba h LEU 128 Cb 0.69 -0.23 -0.40 0.00 0.09 0.00 0.00 40.66 40.81 2dba h LEU 128 CO 0.15 0.71 -0.51 -1.61 0.09 0.00 0.00 178.44 177.26 2dba s GLU 129 N -6.05 2.36 0.52 1.13 0.41 -1.10 -4.91 118.70 111.07 2dba s GLU 129 Ca -0.12 -2.92 0.31 0.00 -0.41 0.00 0.00 54.97 51.83 2dba s GLU 129 Cb 0.20 -3.48 1.29 0.00 -1.78 0.00 0.00 34.13 30.35 2dba s GLU 129 CO 0.81 -1.19 1.96 -1.00 -0.49 0.00 0.00 175.26 175.35 2dba h PRO 130 N 6.17 0.00 0.00 0.39 0.13 -1.54 -3.29 132.00 133.86 2dba h PRO 130 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2dba h PRO 130 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2dba h PRO 130 CO 0.72 0.07 -0.19 0.87 -0.23 0.00 0.00 178.00 179.25 2dba h LYS 131 N 0.00 0.00 -4.33 0.86 6.56 -1.91 -3.46 116.57 114.28 2dba h LYS 131 Ca -0.00 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.95 2dba h LYS 131 Cb 0.55 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.21 2dba h LYS 131 CO 0.01 0.08 0.50 -1.71 -2.06 0.00 0.00 179.45 176.27 2dba n ASN 132 N -4.71 0.87 0.02 0.86 2.85 -1.24 -4.82 115.26 109.09 2dba n ASN 132 Ca -0.04 0.86 0.00 0.00 -0.11 0.00 0.00 54.58 55.30 2dba n ASN 132 Cb 0.12 -0.64 -0.09 0.00 1.24 0.00 0.00 39.78 40.42 2dba n ASN 132 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2dba n LYS 133 N 2.88 0.63 0.12 1.20 4.01 -1.26 -4.03 118.16 121.71 2dba n LYS 133 Ca 0.22 0.17 0.19 0.00 -0.51 0.00 0.00 58.31 58.38 2dba n LYS 133 Cb -0.04 -1.76 0.76 0.00 -0.51 0.00 0.00 35.03 33.48 2dba n LYS 133 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2dba h VAL 134 N 0.00 0.52 0.00 -0.18 2.07 -1.99 0.62 116.25 117.30 2dba h VAL 134 Ca -0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2dba h VAL 134 Cb 1.58 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2dba h VAL 134 CO 0.04 0.00 -0.00 -0.26 0.02 0.00 0.00 177.57 177.37 2dba h PHE 135 N 0.00 -0.00 -0.85 1.57 0.04 -1.95 -2.75 116.94 112.99 2dba h PHE 135 Ca 0.16 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 2dba h PHE 135 Cb 0.79 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.90 2dba h PHE 135 CO 0.00 0.91 0.49 1.96 -0.60 0.00 0.00 178.31 181.07 2dba h GLN 136 N -0.93 1.18 -0.36 1.51 4.20 -1.52 -0.74 115.11 118.45 2dba h GLN 136 Ca -0.00 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 2dba h GLN 136 Cb 0.91 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 2dba h GLN 136 CO 0.00 0.85 -0.11 1.05 -0.67 0.00 0.00 178.83 179.95 2dba h GLU 137 N 1.18 0.62 -0.27 1.46 -0.00 -1.02 -2.67 114.58 113.88 2dba h GLU 137 Ca 0.30 -0.19 -0.15 0.00 -0.00 0.00 0.00 59.36 59.32 2dba h GLU 137 Cb 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 28.69 2dba h GLU 137 CO -0.05 0.73 -0.42 0.00 -0.00 0.00 0.00 179.01 179.27 2dba h ALA 138 N 1.31 0.42 -0.05 1.06 0.00 -1.11 -2.12 119.26 118.76 2dba h ALA 138 Ca 0.10 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2dba h ALA 138 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2dba h ALA 138 CO 0.03 0.53 -0.08 1.25 0.00 0.00 0.00 179.25 180.99 2dba h LEU 139 N 0.51 -0.23 -1.44 0.00 7.12 -0.99 -1.20 115.31 119.08 2dba h LEU 139 Ca 0.02 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2dba h LEU 139 Cb 1.01 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 2dba h LEU 139 CO 0.10 -0.11 0.00 0.03 -0.13 0.00 0.00 178.44 178.33 2dba h ARG 140 N -0.11 0.00 0.00 1.25 2.47 -1.52 0.27 114.38 116.73 2dba h ARG 140 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2dba h ARG 140 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2dba h ARG 140 CO -0.11 0.00 0.00 -0.91 0.56 0.00 0.00 179.97 179.51 2dba h ASN 141 N 0.00 0.00 0.00 7.04 2.35 -0.51 -2.70 115.58 121.76 2dba h ASN 141 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2dba h ASN 141 Cb 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2dba h ASN 141 CO 0.00 0.00 -1.29 2.30 -1.65 0.00 0.00 177.43 176.79 2dba n ILE 142 N -3.09 0.20 0.02 2.81 -5.35 -0.89 -4.64 119.36 108.42 2dba n ILE 142 Ca 0.02 -0.17 -0.09 0.00 -0.27 0.00 0.00 62.75 62.23 2dba n ILE 142 Cb 0.38 -0.39 0.05 0.00 -1.74 0.00 0.00 39.64 37.95 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 0.58 -5.00 7.28 0.87 -0.55 -3.50 113.55 113.23 2dba h SER 143 Ca -0.08 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2dba h SER 143 Cb 0.89 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2dba h SER 143 CO 0.00 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.95 2dba n GLY 144 N 0.31 -0.63 3.77 5.77 0.00 -1.02 -5.04 105.19 108.35 2dba n GLY 144 Ca -0.03 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.21 3.39 -0.24 1.61 0.04 -1.26 -4.79 135.00 133.53 2dba s PRO 145 Ca 0.00 1.62 -0.40 0.00 0.04 0.00 0.00 61.00 62.26 2dba s PRO 145 Cb 0.00 -2.03 -0.18 0.00 0.04 0.00 0.00 34.50 32.32 2dba s PRO 145 CO 0.00 -0.82 1.24 0.45 0.04 0.00 0.00 177.00 177.91 2dba n SER 146 N -1.24 0.59 -0.22 6.66 2.88 -1.26 -4.82 113.62 116.20 2dba n SER 146 Ca 0.11 1.08 -0.07 0.00 -1.33 0.00 0.00 58.87 58.66 2dba n SER 146 Cb 0.51 -0.83 0.06 0.00 -0.75 0.00 0.00 64.21 63.20 2dba n SER 146 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dba h SER 147 N 3.74 1.03 0.00 -3.46 4.64 -1.98 -3.56 113.55 113.96 2dba h SER 147 Ca -0.44 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2dba h SER 147 Cb 1.29 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2dba h SER 147 CO 0.76 1.02 0.00 0.61 -0.87 0.00 0.00 176.83 178.35