#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 -0.43 0.31 1.61 1.04 -1.26 -5.19 113.70 109.78 2dba s SER 2 Ca 0.00 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.36 2dba s SER 2 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 2dba s SER 2 CO 0.00 -0.78 0.43 -0.44 0.98 0.00 0.00 173.24 173.43 2dba s SER 3 N -2.61 0.67 0.00 7.02 0.01 -1.26 -5.13 113.70 112.40 2dba s SER 3 Ca 0.04 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.92 2dba s SER 3 Cb -0.01 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2dba s SER 3 CO -0.10 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 172.95 2dba n GLY 4 N -0.50 0.20 3.08 3.44 0.00 -1.26 -5.04 105.19 105.11 2dba n GLY 4 Ca 0.01 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 2dba n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dba n SER 5 N 0.00 -4.09 -4.80 1.61 2.88 -1.26 -5.01 113.62 102.96 2dba n SER 5 Ca 0.00 -0.46 -0.29 0.00 -1.33 0.00 0.00 58.87 56.79 2dba n SER 5 Cb 0.00 -4.15 0.12 0.00 -0.75 0.00 0.00 64.21 59.43 2dba n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dba s SER 6 N -3.60 3.93 0.13 -3.46 1.04 -1.26 -5.10 113.70 105.39 2dba s SER 6 Ca 0.28 0.85 -0.21 0.00 0.48 0.00 0.00 55.95 57.34 2dba s SER 6 Cb -0.12 -1.36 0.06 0.00 0.10 0.00 0.00 66.02 64.70 2dba s SER 6 CO 0.58 -2.28 0.54 -0.83 0.98 0.00 0.00 173.24 172.24 2dba s GLY 7 N -4.32 -0.51 -0.16 7.32 0.00 -1.26 -5.15 107.32 103.25 2dba s GLY 7 Ca 0.63 0.38 -0.04 0.00 0.00 0.00 0.00 44.72 45.70 2dba s GLY 7 CO 0.51 0.07 0.19 1.06 0.00 0.00 0.00 173.10 174.94 2dba s MET 8 N -3.55 0.12 0.17 2.90 1.00 -1.26 -5.15 119.30 113.53 2dba s MET 8 Ca 0.00 0.33 0.09 0.00 0.00 0.00 0.00 55.69 56.11 2dba s MET 8 Cb -0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 34.83 33.89 2dba s MET 8 CO -0.11 -0.52 -0.19 0.95 0.00 0.00 0.00 175.02 175.15 2dba s THR 9 N 2.30 1.87 -0.20 2.05 -4.23 -1.26 -5.13 115.64 111.05 2dba s THR 9 Ca 0.05 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 2dba s THR 9 Cb -0.14 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.88 2dba s THR 9 CO -0.09 -0.29 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.00 2dba s VAL 10 N -2.00 0.93 0.31 2.29 1.01 -1.26 -5.13 120.40 116.55 2dba s VAL 10 Ca 0.16 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.46 2dba s VAL 10 Cb -0.06 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 2dba s VAL 10 CO 0.07 -0.10 -0.05 -0.94 0.00 0.00 0.00 175.10 174.07 2dba s SER 11 N 1.68 3.02 0.04 3.32 1.04 -1.26 -5.15 113.70 116.39 2dba s SER 11 Ca -0.02 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.24 2dba s SER 11 Cb -0.17 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 2dba s SER 11 CO -0.07 -0.34 -0.09 -0.83 0.98 0.00 0.00 173.24 172.89 2dba s GLY 12 N -3.50 1.75 0.91 7.32 0.00 -1.26 -5.13 107.32 107.41 2dba s GLY 12 Ca 0.31 -1.11 -0.15 0.00 0.00 0.00 0.00 44.72 43.77 2dba s GLY 12 CO 0.14 -1.01 0.80 -1.55 0.00 0.00 0.00 173.10 171.48 2dba n PRO 13 N 1.27 -2.61 -3.25 2.90 -0.04 -1.26 -4.96 135.00 127.05 2dba n PRO 13 Ca -0.15 -1.29 -0.45 0.00 -0.04 0.00 0.00 63.50 61.58 2dba n PRO 13 Cb 0.52 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2dba n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dba n GLY 14 N -2.89 4.24 3.58 0.55 0.00 -1.26 -5.01 105.19 104.40 2dba n GLY 14 Ca 0.11 -2.53 -0.33 0.00 0.00 0.00 0.00 46.02 43.28 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 -1.12 3.64 -0.32 2.61 -1.32 -1.26 -5.07 115.64 112.79 2dba s THR 15 Ca 0.32 -0.65 -0.29 0.00 -1.21 0.00 0.00 61.69 59.87 2dba s THR 15 Cb -0.07 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.37 2dba s THR 15 CO -0.05 0.49 1.68 -2.16 -2.21 0.00 0.00 174.62 172.37 2dba s PRO 16 N -1.12 3.48 -0.23 7.08 0.04 -1.26 -4.93 135.00 138.05 2dba s PRO 16 Ca 0.15 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 2dba s PRO 16 Cb -0.11 -4.13 0.16 0.00 0.04 0.00 0.00 34.50 30.47 2dba s PRO 16 CO 0.04 -1.68 1.22 -1.83 0.04 0.00 0.00 177.00 174.79 2dba s GLU 17 N 5.30 0.27 0.53 4.56 -1.05 -1.26 -5.16 118.70 121.89 2dba s GLU 17 Ca 0.74 0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 55.41 2dba s GLU 17 Cb -0.21 0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.54 2dba s GLU 17 CO 0.33 -0.09 1.13 -1.25 0.95 0.00 0.00 175.26 176.33 2dba s PRO 18 N -1.18 3.42 -0.03 -4.83 0.04 -1.26 -5.05 135.00 126.12 2dba s PRO 18 Ca 0.05 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 2dba s PRO 18 Cb -0.01 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2dba s PRO 18 CO -0.04 -0.80 0.08 -0.98 0.04 0.00 0.00 177.00 175.29 2dba s ARG 19 N -3.20 3.10 0.70 4.56 1.04 -1.26 -5.10 118.95 118.79 2dba s ARG 19 Ca 0.71 -0.43 -0.13 0.00 -1.04 0.00 0.00 55.73 54.84 2dba s ARG 19 Cb -0.24 -2.89 0.02 0.00 -2.04 0.00 0.00 34.95 29.80 2dba s ARG 19 CO 0.28 0.67 1.10 -1.25 -0.04 0.00 0.00 175.30 176.06 2dba s PRO 20 N -1.52 2.60 0.40 3.89 0.04 -1.26 -5.07 135.00 134.08 2dba s PRO 20 Ca 0.20 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2dba s PRO 20 Cb -0.12 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2dba s PRO 20 CO 0.11 -1.39 0.12 0.00 0.04 0.00 0.00 177.00 175.88 2dba s ALA 21 N -2.55 2.88 -0.04 8.56 0.00 -1.26 -5.16 121.76 124.19 2dba s ALA 21 Ca 0.65 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2dba s ALA 21 Cb -0.19 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2dba s ALA 21 CO 0.47 -0.34 -0.13 -0.08 0.00 0.00 0.00 175.76 175.68 2dba s THR 22 N -3.22 3.16 0.31 0.00 -1.32 -1.26 -5.11 115.64 108.20 2dba s THR 22 Ca 0.25 -0.73 -0.29 0.00 -1.21 0.00 0.00 61.69 59.71 2dba s THR 22 Cb 0.03 -2.26 -0.10 0.00 -1.51 0.00 0.00 72.50 68.66 2dba s THR 22 CO 0.14 0.56 1.23 -2.16 -2.21 0.00 0.00 174.62 172.19 2dba s PRO 23 N -0.84 4.46 0.00 7.08 0.04 -1.26 -5.00 135.00 139.49 2dba s PRO 23 Ca 0.12 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2dba s PRO 23 Cb -0.11 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2dba s PRO 23 CO 0.01 -0.04 0.27 0.41 0.04 0.00 0.00 177.00 177.69 2dba n GLY 24 N 1.01 -1.04 4.28 0.56 0.00 -1.26 -4.90 105.19 103.85 2dba n GLY 24 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.95 -1.92 -3.70 4.61 0.00 -1.26 -4.87 120.51 111.43 2dba n ALA 25 Ca 0.00 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.69 2dba n ALA 25 Cb 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 2dba n ALA 25 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dba s SER 26 N -4.26 5.56 -0.10 0.00 0.01 -1.26 -4.44 113.70 109.21 2dba s SER 26 Ca 0.06 -3.38 -0.01 0.00 1.31 0.00 0.00 55.95 53.94 2dba s SER 26 Cb -0.04 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 2dba s SER 26 CO 0.97 -0.25 -0.07 -0.55 0.41 0.00 0.00 173.24 173.76 2dba s SER 27 N 0.07 4.61 0.48 2.44 0.15 -1.26 -4.81 113.70 115.38 2dba s SER 27 Ca 0.23 -0.09 0.35 0.00 0.70 0.00 0.00 55.95 57.14 2dba s SER 27 Cb -0.12 -1.39 1.49 0.00 -1.71 0.00 0.00 66.02 64.29 2dba s SER 27 CO -0.09 0.29 1.65 1.62 1.20 0.00 0.00 173.24 177.90 2dba h VAL 28 N 4.63 0.16 0.19 4.45 3.04 -1.90 1.90 116.25 128.73 2dba h VAL 28 Ca -0.41 -0.03 -0.29 0.00 -1.01 0.00 0.00 66.70 64.96 2dba h VAL 28 Cb 1.18 0.08 0.02 0.00 -2.01 0.00 0.00 31.29 30.56 2dba h VAL 28 CO 0.56 0.01 -1.33 -0.08 -1.01 0.00 0.00 177.57 175.72 2dba h GLU 29 N 0.08 0.41 0.00 4.17 4.81 -1.94 -3.24 114.58 118.87 2dba h GLU 29 Ca 0.80 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2dba h GLU 29 Cb 2.73 0.26 0.00 0.00 0.63 0.00 0.00 28.75 32.37 2dba h GLU 29 CO -0.26 1.33 -0.09 0.37 -0.73 0.00 0.00 179.01 179.64 2dba h GLN 30 N -0.07 0.00 -1.40 1.92 4.15 -0.25 -3.34 115.11 116.12 2dba h GLN 30 Ca -0.25 0.00 0.40 0.00 0.77 0.00 0.00 58.65 59.58 2dba h GLN 30 Cb 1.95 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.59 2dba h GLN 30 CO 0.19 0.00 1.16 1.37 -1.93 0.00 0.00 178.83 179.62 2dba h LEU 31 N -0.55 0.00 -0.94 -2.39 8.10 0.24 -0.44 115.31 119.33 2dba h LEU 31 Ca 0.00 0.00 0.27 0.00 0.11 0.00 0.00 57.88 58.26 2dba h LEU 31 Cb 0.09 0.00 -0.17 0.00 -0.44 0.00 0.00 40.66 40.13 2dba h LEU 31 CO 0.00 0.00 0.06 -1.14 -4.11 0.00 0.00 178.44 173.25 2dba n ARG 32 N -3.76 -0.07 -0.33 0.17 0.63 -1.22 0.19 116.66 112.26 2dba n ARG 32 Ca 0.31 1.40 0.04 0.00 -0.92 0.00 0.00 57.85 58.68 2dba n ARG 32 Cb 1.59 -2.25 0.19 0.00 0.45 0.00 0.00 32.46 32.44 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 0.91 -1.04 -0.14 1.79 -1.32 -1.22 116.57 115.55 2dba h LYS 33 Ca 0.59 -0.05 0.28 0.00 -2.18 0.00 0.00 60.65 59.29 2dba h LYS 33 Cb 1.26 -0.21 -0.12 0.00 -1.58 0.00 0.00 32.23 31.59 2dba h LYS 33 CO -0.87 0.60 0.63 1.49 -1.08 0.00 0.00 179.45 180.22 2dba h GLU 34 N 0.94 0.43 0.39 3.15 4.57 0.18 0.36 114.58 124.60 2dba h GLU 34 Ca 0.43 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.57 2dba h GLU 34 Cb 0.36 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2dba h GLU 34 CO -0.23 0.28 -0.19 0.78 -1.18 0.00 0.00 179.01 178.47 2dba h GLY 35 N 0.44 -0.55 0.49 1.92 0.00 -1.22 -2.80 103.07 101.36 2dba h GLY 35 Ca 0.66 0.20 0.03 0.00 0.00 0.00 0.00 47.33 48.23 2dba h GLY 35 CO -0.44 -0.20 -0.20 3.43 0.00 0.00 0.00 176.54 179.12 2dba h ASN 36 N -0.79 -0.60 -1.01 0.19 2.35 -1.40 -0.92 115.58 113.40 2dba h ASN 36 Ca -0.05 0.09 0.30 0.00 -0.55 0.00 0.00 56.30 56.08 2dba h ASN 36 Cb 0.40 0.25 -0.14 0.00 0.05 0.00 0.00 38.32 38.89 2dba h ASN 36 CO 0.09 -0.27 0.58 -0.33 -1.65 0.00 0.00 177.43 175.85 2dba h GLU 37 N -0.31 0.39 -0.04 0.81 3.07 -0.42 0.72 114.58 118.81 2dba h GLU 37 Ca 0.07 -0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.72 2dba h GLU 37 Cb 0.40 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2dba h GLU 37 CO -0.20 0.26 -0.76 -0.07 -1.40 0.00 0.00 179.01 176.84 2dba h LEU 38 N 0.41 0.34 0.05 1.33 3.38 -1.01 -3.16 115.31 116.65 2dba h LEU 38 Ca 0.71 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 2dba h LEU 38 Cb 1.54 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2dba h LEU 38 CO -0.56 0.98 -0.02 0.15 0.09 0.00 0.00 178.44 179.07 2dba h PHE 39 N 0.18 -0.06 0.00 1.13 3.57 0.16 -0.46 116.94 121.46 2dba h PHE 39 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2dba h PHE 39 Cb 1.34 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.10 2dba h PHE 39 CO 0.03 0.34 0.00 0.36 -2.23 0.00 0.00 178.31 176.82 2dba n LYS 40 N -4.92 0.00 -0.03 1.11 2.85 0.45 -0.75 118.16 116.87 2dba n LYS 40 Ca -0.08 0.44 0.04 0.00 -1.05 0.00 0.00 58.31 57.66 2dba n LYS 40 Cb 0.23 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.98 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 1.67 1.27 3.55 0.00 0.00 0.07 -5.03 105.19 106.72 2dba n GLY 42 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.72 -0.01 1.61 -0.08 -0.32 -4.74 116.55 114.73 2dba n ASP 43 Ca 0.00 -1.15 -0.17 0.00 -1.51 0.00 0.00 54.79 51.96 2dba n ASP 43 Cb 0.00 -1.56 -0.14 0.00 2.34 0.00 0.00 41.12 41.76 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 14.37 0.28 -1.14 -0.67 0.05 -1.93 -2.47 116.97 125.46 2dba h TYR 44 Ca -0.06 -0.20 0.32 0.00 0.05 0.00 0.00 58.73 58.84 2dba h TYR 44 Cb 1.08 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.72 2dba h TYR 44 CO 1.12 1.13 0.76 0.78 -1.05 0.00 0.00 178.16 180.90 2dba h GLY 45 N -0.66 0.93 0.00 3.88 0.00 -1.94 -2.23 103.07 103.05 2dba h GLY 45 Ca -0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2dba h GLY 45 CO 0.07 -0.15 -0.76 -1.33 0.00 0.00 0.00 176.54 174.37 2dba h GLY 46 N 0.24 0.00 -0.90 4.60 0.00 -1.96 -3.29 103.07 101.75 2dba h GLY 46 Ca 0.63 0.00 0.21 0.00 0.00 0.00 0.00 47.33 48.17 2dba h GLY 46 CO -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.16 2dba n ALA 47 N -3.32 0.31 0.02 3.60 0.00 -0.93 0.49 120.51 120.67 2dba n ALA 47 Ca -0.19 0.98 -0.12 0.00 0.00 0.00 0.00 53.44 54.11 2dba n ALA 47 Cb 0.47 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 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 0.03 -0.97 0.00 7.12 -1.60 -2.75 115.31 117.13 2dba h LEU 48 Ca 0.48 -0.13 0.26 0.00 0.13 0.00 0.00 57.88 58.62 2dba h LEU 48 Cb 0.84 -0.01 -0.13 0.00 -0.53 0.00 0.00 40.66 40.82 2dba h LEU 48 CO -0.90 0.15 0.52 0.00 -0.13 0.00 0.00 178.44 178.08 2dba h ALA 49 N 0.88 1.73 0.01 1.25 0.00 -0.03 0.39 119.26 123.48 2dba h ALA 49 Ca 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dba h ALA 49 Cb 0.13 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dba h ALA 49 CO -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 179.25 178.86 2dba h ALA 50 N 1.77 -0.01 -0.87 0.00 0.00 -1.04 -2.83 119.26 116.27 2dba h ALA 50 Ca 0.65 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.58 2dba h ALA 50 Cb 1.32 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2dba h ALA 50 CO -0.54 -0.43 0.57 1.88 0.00 0.00 0.00 179.25 180.72 2dba h TYR 51 N -0.16 0.92 0.00 0.00 0.05 -0.77 -2.38 116.97 114.64 2dba h TYR 51 Ca -0.00 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.84 2dba h TYR 51 Cb 0.15 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 2dba h TYR 51 CO -0.03 0.42 -0.28 1.15 -1.05 0.00 0.00 178.16 178.38 2dba h THR 52 N 0.85 0.38 0.62 -2.88 2.02 -1.01 -2.13 112.91 110.75 2dba h THR 52 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.56 2dba h THR 52 Cb 0.43 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2dba h THR 52 CO -0.17 0.00 -0.45 1.56 0.37 0.00 0.00 175.52 176.83 2dba h GLN 53 N -0.42 -0.99 -1.00 6.66 4.20 -1.36 -0.10 115.11 122.10 2dba h GLN 53 Ca 0.06 0.07 0.34 0.00 0.06 0.00 0.00 58.65 59.18 2dba h GLN 53 Cb 0.51 0.23 -0.18 0.00 0.30 0.00 0.00 27.48 28.33 2dba h GLN 53 CO -0.24 -0.66 0.28 0.00 -0.67 0.00 0.00 178.83 177.54 2dba h ALA 54 N -0.83 1.66 -0.15 3.87 0.00 -1.32 0.91 119.26 123.40 2dba h ALA 54 Ca -0.08 0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 2dba h ALA 54 Cb 0.85 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2dba h ALA 54 CO 0.03 -0.76 -0.78 -0.07 0.00 0.00 0.00 179.25 177.67 2dba h LEU 55 N 0.01 0.91 -0.74 0.00 3.38 -0.93 -3.25 115.31 114.68 2dba h LEU 55 Ca 0.72 -0.60 0.13 0.00 0.09 0.00 0.00 57.88 58.23 2dba h LEU 55 Cb 1.73 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 42.12 2dba h LEU 55 CO -0.85 1.40 0.30 1.23 0.09 0.00 0.00 178.44 180.61 2dba h GLY 56 N 0.61 1.12 -1.30 0.83 0.00 0.27 -3.42 103.07 101.19 2dba h GLY 56 Ca -0.05 -0.15 -0.52 0.00 0.00 0.00 0.00 47.33 46.61 2dba h GLY 56 CO 0.16 -0.08 0.29 1.08 0.00 0.00 0.00 176.54 177.99 2dba s LEU 57 N -10.43 2.95 -1.21 3.11 1.43 -0.75 -4.91 118.68 108.87 2dba s LEU 57 Ca -0.12 1.92 -0.18 0.00 -1.03 0.00 0.00 54.13 54.72 2dba s LEU 57 Cb 0.20 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 42.00 2dba s LEU 57 CO 0.76 -2.36 1.58 -1.81 0.23 0.00 0.00 176.35 174.75 2dba s ASP 58 N -3.19 6.83 0.42 2.29 1.11 -1.26 -4.97 116.67 117.90 2dba s ASP 58 Ca 0.63 -2.41 0.08 0.00 0.18 0.00 0.00 52.55 51.03 2dba s ASP 58 Cb -0.19 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.28 2dba s ASP 58 CO 0.57 -1.11 0.51 0.00 1.18 0.00 0.00 175.17 176.32 2dba s ALA 59 N 3.57 4.39 0.90 5.23 0.00 -1.26 -5.09 121.76 129.50 2dba s ALA 59 Ca 0.49 -1.73 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 2dba s ALA 59 Cb 0.01 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.74 2dba s ALA 59 CO 0.02 -0.26 0.76 0.25 0.00 0.00 0.00 175.76 176.54 2dba n THR 60 N -1.76 0.49 0.40 0.00 -2.24 -1.26 -4.83 114.28 105.08 2dba n THR 60 Ca 0.07 -0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 2dba n THR 60 Cb 0.60 -0.83 0.48 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.61 0.18 0.02 -0.78 -0.04 -1.26 -2.69 135.00 127.82 2dba n PRO 61 Ca 0.10 0.41 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 2dba n PRO 61 Cb 0.52 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.18 -0.21 0.54 4.15 -2.01 -3.33 115.11 114.43 2dba h GLN 62 Ca 0.00 -0.31 -0.07 0.00 0.77 0.00 0.00 58.65 59.05 2dba h GLN 62 Cb 0.35 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2dba h GLN 62 CO 0.00 0.97 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.30 2dba h ASP 63 N 0.05 0.48 -0.11 -0.69 3.32 -1.86 -3.04 116.42 114.56 2dba h ASP 63 Ca -0.30 -0.43 0.04 0.00 0.02 0.00 0.00 57.03 56.37 2dba h ASP 63 Cb 2.02 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 41.37 2dba h ASP 63 CO 0.12 0.80 -0.35 1.56 -1.72 0.00 0.00 179.24 179.65 2dba h GLN 64 N 0.16 -0.42 -0.70 3.56 4.20 -1.69 -1.16 115.11 119.06 2dba h GLN 64 Ca 0.05 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.93 2dba h GLN 64 Cb 0.63 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.40 2dba h GLN 64 CO 0.04 -0.28 0.18 0.00 -0.67 0.00 0.00 178.83 178.09 2dba h ALA 65 N 0.31 0.89 -0.74 3.87 0.00 -1.66 0.15 119.26 122.07 2dba h ALA 65 Ca 0.09 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2dba h ALA 65 Cb 0.57 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2dba h ALA 65 CO -0.35 -0.31 0.49 0.28 0.00 0.00 0.00 179.25 179.36 2dba h VAL 66 N 0.29 1.14 -0.03 0.00 2.07 -1.19 -1.65 116.25 116.88 2dba h VAL 66 Ca 0.38 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.41 2dba h VAL 66 Cb 0.62 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2dba h VAL 66 CO -0.46 0.17 -0.73 -0.07 0.02 0.00 0.00 177.57 176.50 2dba h LEU 67 N 0.94 0.25 0.03 2.57 3.38 0.33 -3.15 115.31 119.66 2dba h LEU 67 Ca 0.29 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dba h LEU 67 Cb -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2dba h LEU 67 CO -0.07 0.89 -0.01 0.45 0.09 0.00 0.00 178.44 179.78 2dba h HIS 68 N 0.14 -0.04 -0.00 1.13 3.86 0.01 -0.52 115.15 119.73 2dba h HIS 68 Ca -0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2dba h HIS 68 Cb 1.29 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 2dba h HIS 68 CO 0.02 0.17 0.01 0.07 0.86 0.00 0.00 177.93 179.06 2dba h ARG 69 N -0.24 0.00 0.00 2.45 0.11 -1.43 -2.82 114.38 112.45 2dba h ARG 69 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2dba h ARG 69 Cb 0.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2dba h ARG 69 CO 0.01 0.00 -0.34 -0.91 0.10 0.00 0.00 179.97 178.83 2dba h ASN 70 N 0.00 0.00 -0.85 0.08 4.21 -1.39 -3.38 115.58 114.25 2dba h ASN 70 Ca 0.00 -0.32 0.13 0.00 1.21 0.00 0.00 56.30 57.32 2dba h ASN 70 Cb 0.02 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.08 2dba h ASN 70 CO -0.00 0.85 -0.33 0.54 -1.29 0.00 0.00 177.43 177.20 2dba n ARG 71 N -4.64 -0.19 -0.36 0.81 1.74 -0.25 -0.27 116.66 113.49 2dba n ARG 71 Ca -0.10 1.31 -0.10 0.00 -0.77 0.00 0.00 57.85 58.19 2dba n ARG 71 Cb 0.29 -1.95 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 2dba n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dba h ALA 72 N 1.20 -0.50 -0.83 7.54 0.00 -1.72 0.13 119.26 125.07 2dba h ALA 72 Ca 0.30 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.49 2dba h ALA 72 Cb 0.51 1.28 -0.16 0.00 0.00 0.00 0.00 17.79 19.43 2dba h ALA 72 CO -0.85 -0.94 -0.22 0.00 0.00 0.00 0.00 179.25 177.24 2dba n ALA 73 N -3.24 0.18 0.00 0.00 0.00 0.63 0.82 120.51 118.89 2dba n ALA 73 Ca 0.02 0.91 -0.10 0.00 0.00 0.00 0.00 53.44 54.27 2dba n ALA 73 Cb 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 2dba n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dba h HIS 75 N -0.04 -0.37 -0.59 0.00 3.86 0.72 -0.04 115.15 118.69 2dba h HIS 75 Ca 0.06 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.40 2dba h HIS 75 Cb 0.13 0.16 -0.11 0.00 1.06 0.00 0.00 27.41 28.65 2dba h HIS 75 CO -0.17 -0.21 -0.12 -0.07 0.86 0.00 0.00 177.93 178.21 2dba h LEU 76 N -0.25 -0.50 -0.95 2.43 3.38 -0.75 0.44 115.31 119.11 2dba h LEU 76 Ca 0.05 0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2dba h LEU 76 Cb 0.30 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2dba h LEU 76 CO -0.13 -0.18 0.05 0.11 0.09 0.00 0.00 178.44 178.38 2dba h LYS 77 N 0.02 0.81 -1.65 1.13 1.79 -1.00 -2.75 116.57 114.92 2dba h LYS 77 Ca 0.29 -0.20 -0.21 0.00 -2.18 0.00 0.00 60.65 58.35 2dba h LYS 77 Cb 0.44 -0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.90 2dba h LYS 77 CO -0.59 0.79 0.27 1.28 -1.08 0.00 0.00 179.45 180.12 2dba n LEU 78 N -4.24 6.00 -4.16 2.94 4.77 0.28 -4.81 117.00 117.78 2dba n LEU 78 Ca 0.03 -2.96 -0.35 0.00 -0.03 0.00 0.00 56.01 52.70 2dba n LEU 78 Cb 0.27 -1.06 -0.08 0.00 -2.33 0.00 0.00 43.42 40.23 2dba n LEU 78 CO 0.41 1.13 -0.23 1.21 -1.33 0.00 0.00 177.39 178.58 2dba n GLU 79 N 0.70 -0.81 -2.19 3.23 2.13 -1.04 -4.79 120.64 117.87 2dba n GLU 79 Ca 0.20 0.11 -0.24 0.00 0.66 0.00 0.00 57.16 57.89 2dba n GLU 79 Cb 0.57 -3.86 0.01 0.00 0.27 0.00 0.00 31.44 28.43 2dba n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dba n ASP 80 N -2.21 4.72 -0.03 4.31 2.03 0.13 -4.81 116.55 120.69 2dba n ASP 80 Ca -0.01 -3.68 0.18 0.00 0.52 0.00 0.00 54.79 51.80 2dba n ASP 80 Cb 0.46 -0.38 0.63 0.00 -0.72 0.00 0.00 41.12 41.11 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2dba h TYR 81 N 2.32 0.14 0.14 -0.67 -1.99 -1.83 -0.27 116.97 114.82 2dba h TYR 81 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 2dba h TYR 81 Cb 1.34 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 40.00 2dba h TYR 81 CO 0.83 0.06 -0.29 -0.44 -0.00 0.00 0.00 178.16 178.31 2dba h ASP 82 N 0.13 -0.86 -0.07 3.88 5.19 -1.92 -1.98 116.42 120.79 2dba h ASP 82 Ca 0.27 0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.63 2dba h ASP 82 Cb 0.89 0.31 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 2dba h ASP 82 CO -0.03 -0.33 -0.37 0.11 -3.12 0.00 0.00 179.24 175.49 2dba h LYS 83 N -0.47 0.57 -0.44 3.56 1.57 -1.90 -3.26 116.57 116.20 2dba h LYS 83 Ca -0.01 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.54 2dba h LYS 83 Cb 0.45 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 2dba h LYS 83 CO -0.12 0.85 -0.56 0.00 -0.57 0.00 0.00 179.45 179.06 2dba h ALA 84 N 1.12 -0.78 -0.84 3.86 0.00 -0.82 -0.02 119.26 121.78 2dba h ALA 84 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.17 2dba h ALA 84 Cb 0.86 1.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.65 2dba h ALA 84 CO 0.07 -1.05 0.06 1.49 0.00 0.00 0.00 179.25 179.82 2dba h GLU 85 N -0.38 0.10 -0.22 0.00 4.22 -1.41 0.04 114.58 116.94 2dba h GLU 85 Ca 0.08 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.57 2dba h GLU 85 Cb 0.59 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2dba h GLU 85 CO -0.62 0.07 -0.31 1.15 -2.18 0.00 0.00 179.01 177.12 2dba h THR 86 N 0.11 0.28 -0.12 0.32 2.02 -1.12 -2.03 112.91 112.37 2dba h THR 86 Ca 0.49 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.71 2dba h THR 86 Cb 0.93 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 2dba h THR 86 CO -0.73 0.00 -0.20 -0.33 0.37 0.00 0.00 175.52 174.63 2dba h GLU 87 N -0.34 -0.25 -0.67 6.66 4.39 -0.63 -2.41 114.58 121.34 2dba h GLU 87 Ca 0.12 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.96 2dba h GLU 87 Cb 0.53 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.11 2dba h GLU 87 CO -0.41 -0.16 -0.31 0.00 -1.16 0.00 0.00 179.01 176.96 2dba h ALA 88 N 0.74 0.08 -0.75 3.43 0.00 -0.80 0.18 119.26 122.13 2dba h ALA 88 Ca 0.10 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.33 2dba h ALA 88 Cb 0.40 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 2dba h ALA 88 CO -0.27 -0.62 0.34 1.03 0.00 0.00 0.00 179.25 179.73 2dba h SER 89 N -0.11 0.39 -0.94 0.00 0.87 -0.91 -0.17 113.55 112.68 2dba h SER 89 Ca 0.27 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 61.01 2dba h SER 89 Cb 0.56 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 2dba h SER 89 CO -0.73 0.19 0.58 0.11 -0.53 0.00 0.00 176.83 176.45 2dba h LYS 90 N 0.54 0.97 -0.38 2.24 1.57 -0.30 0.20 116.57 121.40 2dba h LYS 90 Ca 0.40 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 2dba h LYS 90 Cb 0.53 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2dba h LYS 90 CO -0.34 0.64 -0.31 0.00 -0.57 0.00 0.00 179.45 178.86 2dba h ALA 91 N 1.48 0.72 0.50 3.86 0.00 -0.40 -1.65 119.26 123.76 2dba h ALA 91 Ca 0.44 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2dba h ALA 91 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dba h ALA 91 CO -0.22 0.66 -0.24 0.82 0.00 0.00 0.00 179.25 180.27 2dba h ILE 92 N 0.72 0.17 -0.55 0.00 2.04 -0.24 -3.21 117.51 116.43 2dba h ILE 92 Ca 0.08 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.52 2dba h ILE 92 Cb 0.87 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 2dba h ILE 92 CO 0.08 0.03 0.14 1.05 0.00 0.00 0.00 178.15 179.45 2dba h GLU 93 N -1.11 0.28 -0.87 2.37 4.11 -0.74 1.19 114.58 119.80 2dba h GLU 93 Ca -0.07 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.46 2dba h GLU 93 Cb 0.57 -0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.63 2dba h GLU 93 CO 0.11 0.19 -0.48 0.87 0.07 0.00 0.00 179.01 179.77 2dba h LYS 94 N 0.29 -0.07 0.00 1.06 1.79 -1.36 -3.36 116.57 114.92 2dba h LYS 94 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2dba h LYS 94 Cb 0.37 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2dba h LYS 94 CO -0.34 -0.05 -0.13 -3.47 -1.08 0.00 0.00 179.45 174.39 2dba n ASP 95 N -5.37 0.29 0.00 0.86 2.03 -0.93 -5.07 116.55 108.35 2dba n ASP 95 Ca 0.05 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2dba n ASP 95 Cb 0.34 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dba n GLY 96 N 1.98 3.72 2.60 0.27 0.00 0.40 -4.96 105.19 109.21 2dba n GLY 96 Ca -0.02 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 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 5.08 3.17 -0.02 0.00 -1.26 -4.84 105.19 107.32 2dba n GLY 97 Ca 0.00 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.63 5.72 0.26 1.61 1.01 -1.26 -4.89 116.67 118.49 2dba s ASP 98 Ca 0.54 -2.76 0.25 0.00 0.71 0.00 0.00 52.55 51.29 2dba s ASP 98 Cb 0.42 -1.97 0.92 0.00 1.01 0.00 0.00 42.92 43.30 2dba s ASP 98 CO -0.26 -0.45 1.75 -0.37 0.21 0.00 0.00 175.17 176.06 2dba h VAL 99 N 5.17 0.00 0.59 -1.27 -1.51 -1.97 -3.20 116.25 114.05 2dba h VAL 99 Ca 0.01 -0.36 -0.03 0.00 -1.23 0.00 0.00 66.70 65.09 2dba h VAL 99 Cb 0.98 1.21 0.01 0.00 -2.13 0.00 0.00 31.29 31.36 2dba h VAL 99 CO 0.73 0.00 -0.28 0.11 -1.23 0.00 0.00 177.57 176.90 2dba h LYS 100 N 0.00 -0.76 -0.00 5.19 1.79 -2.00 -2.27 116.57 118.52 2dba h LYS 100 Ca 0.00 0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 2dba h LYS 100 Cb 0.53 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2dba h LYS 100 CO 0.00 -0.47 -0.29 0.00 -1.08 0.00 0.00 179.45 177.61 2dba h ALA 101 N -0.55 1.51 0.63 3.86 0.00 -1.87 -3.22 119.26 119.63 2dba h ALA 101 Ca -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2dba h ALA 101 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dba h ALA 101 CO 0.13 0.37 -0.33 -0.07 0.00 0.00 0.00 179.25 179.35 2dba h LEU 102 N 0.01 -0.81 -1.58 0.00 3.38 -1.52 0.20 115.31 114.99 2dba h LEU 102 Ca -0.00 0.04 0.44 0.00 0.09 0.00 0.00 57.88 58.44 2dba h LEU 102 Cb 0.52 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 2dba h LEU 102 CO 0.04 -0.54 0.95 0.22 0.09 0.00 0.00 178.44 179.19 2dba h TYR 103 N -0.88 0.38 0.02 1.13 3.20 -1.42 0.18 116.97 119.58 2dba h TYR 103 Ca -0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2dba h TYR 103 Cb 0.69 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2dba h TYR 103 CO 0.03 -0.13 -0.01 0.00 -1.64 0.00 0.00 178.16 176.41 2dba h ARG 104 N 0.08 -0.03 -0.94 1.82 2.47 -1.49 -3.35 114.38 112.94 2dba h ARG 104 Ca 0.80 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 59.62 2dba h ARG 104 Cb 2.70 0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 30.91 2dba h ARG 104 CO -0.29 0.68 -0.53 -2.13 0.56 0.00 0.00 179.97 178.27 2dba n ARG 105 N -4.71 -0.39 -0.34 0.04 0.63 0.67 0.33 116.66 112.90 2dba n ARG 105 Ca -0.08 1.43 0.09 0.00 -0.92 0.00 0.00 57.85 58.37 2dba n ARG 105 Cb 0.35 -2.10 0.20 0.00 0.45 0.00 0.00 32.46 31.37 2dba n ARG 105 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dba h SER 106 N 0.00 -0.67 -0.94 6.15 4.64 -1.62 0.50 113.55 121.61 2dba h SER 106 Ca 0.18 0.28 0.27 0.00 -0.47 0.00 0.00 61.79 62.04 2dba h SER 106 Cb 0.41 0.53 -0.17 0.00 -0.31 0.00 0.00 62.40 62.86 2dba h SER 106 CO -0.89 -0.32 0.14 1.56 -0.87 0.00 0.00 176.83 176.44 2dba h GLN 107 N 0.01 0.07 0.40 4.77 1.08 -0.25 -0.78 115.11 120.41 2dba h GLN 107 Ca 0.52 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.69 2dba h GLN 107 Cb 0.94 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2dba h GLN 107 CO -0.93 0.05 -0.19 0.00 -0.95 0.00 0.00 178.83 176.80 2dba h ALA 108 N 1.90 -0.54 -0.89 3.87 0.00 -0.03 -3.17 119.26 120.41 2dba h ALA 108 Ca 0.60 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.49 2dba h ALA 108 Cb 1.26 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 2dba h ALA 108 CO -0.81 -0.52 -0.36 1.28 0.00 0.00 0.00 179.25 178.84 2dba n LEU 109 N -5.14 -0.61 -0.33 0.00 4.77 -0.57 0.19 117.00 115.30 2dba n LEU 109 Ca -0.08 1.55 0.12 0.00 -0.03 0.00 0.00 56.01 57.57 2dba n LEU 109 Cb 0.24 -0.34 0.32 0.00 -2.33 0.00 0.00 43.42 41.31 2dba n LEU 109 CO 0.19 -1.38 1.21 -0.33 -1.33 0.00 0.00 177.39 175.76 2dba h GLU 110 N 0.00 0.77 0.00 3.23 5.08 -1.24 0.37 114.58 122.79 2dba h GLU 110 Ca 0.29 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2dba h GLU 110 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2dba h GLU 110 CO -0.87 0.51 -0.37 0.87 -1.00 0.00 0.00 179.01 178.15 2dba h LYS 111 N 0.80 0.00 -0.19 2.33 6.56 0.21 -2.86 116.57 123.42 2dba h LYS 111 Ca 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.11 2dba h LYS 111 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 2dba h LYS 111 CO -0.30 0.37 0.00 1.28 -2.06 0.00 0.00 179.45 178.74 2dba n LEU 112 N -3.36 1.49 0.00 2.94 4.77 0.85 -4.88 117.00 118.80 2dba n LEU 112 Ca 0.01 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2dba n LEU 112 Cb 0.57 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2dba n LEU 112 CO 0.37 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2dba n GLY 113 N 1.06 0.45 3.22 -0.72 0.00 -0.62 -5.00 105.19 103.58 2dba n GLY 113 Ca 0.14 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.66 3.62 0.06 1.61 0.52 0.92 -4.82 118.95 119.19 2dba s ARG 114 Ca 0.00 -3.12 0.07 0.00 -0.52 0.00 0.00 55.73 52.16 2dba s ARG 114 Cb 0.00 -4.22 -0.22 0.00 0.52 0.00 0.00 34.95 31.03 2dba s ARG 114 CO 0.00 -1.25 1.05 -0.07 0.02 0.00 0.00 175.30 175.05 2dba h LEU 115 N 6.52 0.05 0.08 2.53 3.38 -1.88 -2.74 115.31 123.25 2dba h LEU 115 Ca 0.15 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dba h LEU 115 Cb 0.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2dba h LEU 115 CO 0.89 1.06 -0.04 0.44 0.09 0.00 0.00 178.44 180.88 2dba h ASP 116 N 0.01 -0.09 -0.05 -0.43 3.32 -1.97 -3.16 116.42 114.05 2dba h ASP 116 Ca -0.12 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 2dba h ASP 116 Cb 1.87 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.44 2dba h ASP 116 CO 0.12 0.26 -0.01 1.56 -1.72 0.00 0.00 179.24 179.45 2dba h GLN 117 N -0.46 0.09 -1.05 3.56 7.50 -1.97 -3.07 115.11 119.71 2dba h GLN 117 Ca -0.01 -0.03 0.42 0.00 0.50 0.00 0.00 58.65 59.53 2dba h GLN 117 Cb 0.39 -0.00 -0.17 0.00 0.05 0.00 0.00 27.48 27.75 2dba h GLN 117 CO 0.02 0.43 0.60 0.00 -1.50 0.00 0.00 178.83 178.38 2dba n ALA 118 N -2.30 1.07 0.00 3.87 0.00 -1.03 0.68 120.51 122.80 2dba n ALA 118 Ca -0.07 0.96 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 2dba n ALA 118 Cb 0.22 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 1.27 -0.23 0.00 2.07 -1.50 -2.63 116.25 115.23 2dba h VAL 119 Ca 0.84 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2dba h VAL 119 Cb 2.32 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 33.84 2dba h VAL 119 CO -0.69 0.20 -0.07 -0.07 0.02 0.00 0.00 177.57 176.97 2dba h LEU 120 N -0.33 -0.25 -0.18 2.57 3.38 0.23 0.20 115.31 120.92 2dba h LEU 120 Ca -0.00 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2dba h LEU 120 Cb 0.33 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2dba h LEU 120 CO 0.00 -0.09 -0.23 -0.78 0.09 0.00 0.00 178.44 177.43 2dba h ASP 121 N -0.02 -0.72 0.21 -0.43 1.82 -1.24 -2.65 116.42 113.40 2dba h ASP 121 Ca 0.11 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.87 2dba h ASP 121 Cb 0.19 0.33 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2dba h ASP 121 CO -0.25 -0.27 -0.10 -0.07 -1.61 0.00 0.00 179.24 176.94 2dba h LEU 122 N -0.26 -0.24 -0.90 2.28 3.38 -1.08 -2.69 115.31 115.79 2dba h LEU 122 Ca 0.12 -0.03 0.34 0.00 0.09 0.00 0.00 57.88 58.40 2dba h LEU 122 Cb 0.44 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 2dba h LEU 122 CO -0.34 -0.13 0.54 0.00 0.09 0.00 0.00 178.44 178.60 2dba n GLN 123 N -5.19 -0.04 0.10 1.13 6.02 0.65 0.17 117.38 120.22 2dba n GLN 123 Ca -0.09 0.99 -0.13 0.00 -0.01 0.00 0.00 57.00 57.76 2dba n GLN 123 Cb 0.15 -1.87 -0.08 0.00 1.02 0.00 0.00 30.24 29.47 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 -0.20 -0.96 -1.09 3.08 -1.34 -2.47 114.38 111.41 2dba h ARG 124 Ca 0.65 0.01 0.28 0.00 0.07 0.00 0.00 59.98 61.00 2dba h ARG 124 Cb 1.92 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.98 2dba h ARG 124 CO -0.46 0.00 0.90 0.00 -1.07 0.00 0.00 179.97 179.33 2dba h VAL 126 N 0.00 1.28 0.64 0.00 2.07 -1.31 -2.58 116.25 116.35 2dba h VAL 126 Ca 0.46 -2.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.71 2dba h VAL 126 Cb 2.25 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 34.38 2dba h VAL 126 CO -0.00 0.69 -0.31 -1.28 0.02 0.00 0.00 177.57 176.69 2dba h SER 127 N 0.40 -0.73 -0.62 0.57 0.87 0.54 -2.34 113.55 112.25 2dba h SER 127 Ca -0.13 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.57 2dba h SER 127 Cb 1.68 0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 63.75 2dba h SER 127 CO 0.20 -0.44 0.19 -0.07 -0.53 0.00 0.00 176.83 176.18 2dba h LEU 128 N -1.01 0.14 -7.39 2.23 4.07 -1.59 -3.31 115.31 108.45 2dba h LEU 128 Ca -0.09 0.10 -0.64 0.00 0.08 0.00 0.00 57.88 57.33 2dba h LEU 128 Cb 0.66 0.10 -0.41 0.00 1.08 0.00 0.00 40.66 42.09 2dba h LEU 128 CO 0.14 0.08 -0.65 -1.61 -1.08 0.00 0.00 178.44 175.32 2dba s GLU 129 N -6.09 1.83 0.27 1.13 0.41 -0.97 -4.95 118.70 110.33 2dba s GLU 129 Ca -0.13 -2.44 0.05 0.00 -0.41 0.00 0.00 54.97 52.04 2dba s GLU 129 Cb 0.18 -3.21 0.38 0.00 -1.78 0.00 0.00 34.13 29.70 2dba s GLU 129 CO 0.74 -1.09 1.65 -1.00 -0.49 0.00 0.00 175.26 175.08 2dba h PRO 130 N 6.70 0.27 -0.08 0.39 0.13 -1.51 -3.13 132.00 134.77 2dba h PRO 130 Ca -0.07 -0.14 -0.22 0.00 -0.87 0.00 0.00 66.00 64.70 2dba h PRO 130 Cb 0.91 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.05 2dba h PRO 130 CO 0.64 0.68 -0.83 0.87 -0.23 0.00 0.00 178.00 179.13 2dba h LYS 131 N 0.22 0.58 -5.86 0.86 6.56 -1.92 -3.44 116.57 113.57 2dba h LYS 131 Ca 0.01 -0.52 -0.62 0.00 -1.06 0.00 0.00 60.65 58.46 2dba h LYS 131 Cb 0.90 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.67 2dba h LYS 131 CO 0.07 1.14 1.48 0.09 -2.06 0.00 0.00 179.45 180.18 2dba n ASN 132 N -3.85 2.15 0.05 0.86 5.03 -1.18 -4.80 115.26 113.51 2dba n ASN 132 Ca -0.07 0.25 -0.08 0.00 0.87 0.00 0.00 54.58 55.55 2dba n ASN 132 Cb 0.77 -1.31 -0.13 0.00 -1.02 0.00 0.00 39.78 38.09 2dba n ASN 132 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2dba h LYS 133 N 13.63 0.03 -0.79 3.52 3.64 -1.88 -3.29 116.57 131.43 2dba h LYS 133 Ca -0.27 -0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.29 2dba h LYS 133 Cb 1.30 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2dba h LYS 133 CO 1.06 0.92 0.69 0.28 -2.27 0.00 0.00 179.45 180.14 2dba h VAL 134 N 0.01 0.36 0.18 2.00 2.07 -1.98 0.28 116.25 119.18 2dba h VAL 134 Ca -0.08 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.15 2dba h VAL 134 Cb 1.84 0.48 0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2dba h VAL 134 CO 0.13 0.00 -1.35 -0.26 0.02 0.00 0.00 177.57 176.11 2dba h PHE 135 N 0.00 0.71 -0.43 1.57 0.04 -1.93 -3.08 116.94 113.81 2dba h PHE 135 Ca 0.37 -0.52 -0.11 0.00 2.80 0.00 0.00 57.97 60.52 2dba h PHE 135 Cb 1.76 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.87 2dba h PHE 135 CO 0.00 1.52 -0.18 1.96 -0.60 0.00 0.00 178.31 181.02 2dba h GLN 136 N -0.09 0.83 -0.58 1.51 4.20 -0.81 -2.39 115.11 117.77 2dba h GLN 136 Ca -0.26 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.07 2dba h GLN 136 Cb 1.93 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.64 2dba h GLN 136 CO 0.18 0.94 0.07 1.05 -0.67 0.00 0.00 178.83 180.40 2dba h GLU 137 N 0.73 0.98 0.16 1.46 -0.00 -0.73 -3.09 114.58 114.09 2dba h GLU 137 Ca 0.11 -0.27 -0.01 0.00 -0.00 0.00 0.00 59.36 59.19 2dba h GLU 137 Cb 0.69 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.33 2dba h GLU 137 CO 0.05 0.94 -0.07 0.00 -0.00 0.00 0.00 179.01 179.93 2dba h ALA 138 N 1.00 -0.84 -0.21 1.06 0.00 -1.43 -3.22 119.26 115.61 2dba h ALA 138 Ca 0.17 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2dba h ALA 138 Cb 0.45 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2dba h ALA 138 CO 0.02 -0.83 -0.12 -0.11 0.00 0.00 0.00 179.25 178.20 2dba n LEU 139 N -2.67 -0.22 -0.26 0.00 7.94 -0.91 0.18 117.00 121.05 2dba n LEU 139 Ca -0.03 0.81 0.21 0.00 -1.11 0.00 0.00 56.01 55.89 2dba n LEU 139 Cb 0.08 -0.27 0.38 0.00 0.53 0.00 0.00 43.42 44.15 2dba n LEU 139 CO 0.06 -0.52 0.76 0.54 -1.11 0.00 0.00 177.39 177.12 2dba n ARG 140 N -3.35 -0.05 -0.03 1.96 5.12 -1.17 0.44 116.66 119.59 2dba n ARG 140 Ca 0.00 1.12 -0.06 0.00 -1.93 0.00 0.00 57.85 56.98 2dba n ARG 140 Cb 0.05 -1.93 -0.04 0.00 -1.16 0.00 0.00 32.46 29.38 2dba n ARG 140 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2dba h ASN 141 N 0.00 -0.76 0.01 0.55 2.35 0.19 0.31 115.58 118.22 2dba h ASN 141 Ca 0.60 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 56.39 2dba h ASN 141 Cb 1.50 0.30 0.00 0.00 0.05 0.00 0.00 38.32 40.18 2dba h ASN 141 CO -0.65 -0.19 -0.21 0.16 -1.65 0.00 0.00 177.43 174.88 2dba h ILE 142 N -0.21 1.58 -0.81 2.81 3.07 -0.77 -3.31 117.51 119.87 2dba h ILE 142 Ca 0.02 -2.00 0.20 0.00 1.55 0.00 0.00 64.86 64.62 2dba h ILE 142 Cb 0.27 2.87 -0.14 0.00 -0.27 0.00 0.00 36.82 39.56 2dba h ILE 142 CO -0.22 0.54 0.04 -1.28 -1.05 0.00 0.00 178.15 176.19 2dba h SER 143 N -0.59 -0.32 -5.00 2.16 0.87 0.01 -3.48 113.55 107.20 2dba h SER 143 Ca -0.03 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2dba h SER 143 Cb 1.00 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2dba h SER 143 CO 0.04 -0.20 0.00 0.61 -0.53 0.00 0.00 176.83 176.75 2dba n GLY 144 N -1.43 0.87 0.00 5.77 0.00 0.11 -4.59 105.19 105.92 2dba n GLY 144 Ca 0.16 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 44.15 2dba n GLY 144 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dba n PRO 145 N 0.46 0.11 -1.36 1.61 -0.04 -1.26 -4.82 135.00 129.70 2dba n PRO 145 Ca 0.00 0.20 -0.52 0.00 -0.04 0.00 0.00 63.50 63.14 2dba n PRO 145 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 2dba n PRO 145 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dba n SER 146 N -1.39 0.68 -3.64 3.54 3.41 -1.26 -4.87 113.62 110.09 2dba n SER 146 Ca 0.05 0.46 -0.07 0.00 -0.26 0.00 0.00 58.87 59.05 2dba n SER 146 Cb 0.14 -0.94 -0.08 0.00 -0.26 0.00 0.00 64.21 63.07 2dba n SER 146 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dba s SER 147 N 7.28 -0.43 0.00 4.04 1.04 -1.26 -5.16 113.70 119.22 2dba s SER 147 Ca 1.25 1.08 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2dba s SER 147 Cb -1.35 1.54 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2dba s SER 147 CO 0.58 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.18