#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 -0.75 0.18 1.61 0.01 -1.26 -5.18 113.70 108.31 2dba s SER 2 Ca 0.00 1.02 -0.16 0.00 1.31 0.00 0.00 55.95 58.12 2dba s SER 2 Cb 0.00 1.85 0.02 0.00 0.21 0.00 0.00 66.02 68.11 2dba s SER 2 CO 0.00 -0.14 0.46 -0.44 0.41 0.00 0.00 173.24 173.53 2dba s SER 3 N 2.59 -0.21 -0.15 2.44 0.01 -1.26 -5.18 113.70 111.94 2dba s SER 3 Ca -0.03 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.44 2dba s SER 3 Cb -0.08 0.53 0.07 0.00 0.21 0.00 0.00 66.02 66.76 2dba s SER 3 CO -0.18 -0.99 0.72 -0.83 0.41 0.00 0.00 173.24 172.38 2dba s GLY 4 N -2.87 -0.53 -0.21 3.44 0.00 -1.26 -5.17 107.32 100.71 2dba s GLY 4 Ca 0.09 1.69 -0.31 0.00 0.00 0.00 0.00 44.72 46.19 2dba s GLY 4 CO -0.04 1.32 1.17 -1.35 0.00 0.00 0.00 173.10 174.20 2dba s SER 5 N -0.50 -0.19 0.33 1.64 1.04 -1.26 -5.19 113.70 109.57 2dba s SER 5 Ca -0.06 0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 2dba s SER 5 Cb -0.02 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2dba s SER 5 CO 0.05 -0.22 0.62 -0.55 0.98 0.00 0.00 173.24 174.12 2dba s SER 6 N -1.38 0.27 0.00 7.02 0.15 -1.26 -5.16 113.70 113.34 2dba s SER 6 Ca 0.05 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.53 2dba s SER 6 Cb -0.01 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2dba s SER 6 CO -0.04 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 173.59 2dba n GLY 7 N -0.51 3.81 3.60 9.45 0.00 -1.26 -5.17 105.19 115.11 2dba n GLY 7 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2dba n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dba s MET 8 N -4.30 0.20 -0.28 1.61 -2.45 -1.26 -5.17 119.30 107.65 2dba s MET 8 Ca 0.00 0.37 -0.17 0.00 -1.25 0.00 0.00 55.69 54.64 2dba s MET 8 Cb 0.00 0.07 0.09 0.00 1.25 0.00 0.00 34.83 36.24 2dba s MET 8 CO 0.00 -0.05 0.73 0.99 1.05 0.00 0.00 175.02 177.74 2dba s THR 9 N 1.35 0.00 -0.11 10.11 2.01 -1.26 -5.16 115.64 122.57 2dba s THR 9 Ca -0.07 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 2dba s THR 9 Cb -0.03 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.52 2dba s THR 9 CO -0.13 0.00 0.27 0.68 -0.69 0.00 0.00 174.62 174.75 2dba s VAL 10 N 1.48 -0.02 -0.03 3.82 -7.23 -1.26 -5.16 120.40 112.00 2dba s VAL 10 Ca -0.09 0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 2dba s VAL 10 Cb -0.05 -0.40 0.11 0.00 0.56 0.00 0.00 36.38 36.60 2dba s VAL 10 CO -0.17 0.03 1.06 -0.44 -0.31 0.00 0.00 175.10 175.27 2dba s SER 11 N 0.74 -0.21 0.00 4.85 0.01 -1.26 -5.13 113.70 112.70 2dba s SER 11 Ca -0.05 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2dba s SER 11 Cb -0.06 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2dba s SER 11 CO -0.05 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2dba n GLY 12 N -0.28 -1.32 2.65 3.44 0.00 -1.26 -5.18 105.19 103.24 2dba n GLY 12 Ca -0.06 0.70 -0.23 0.00 0.00 0.00 0.00 46.02 46.44 2dba n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dba n PRO 13 N 0.00 -2.63 0.00 1.61 -0.04 -1.26 -5.09 135.00 127.59 2dba n PRO 13 Ca 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 2dba n PRO 13 Cb 0.00 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -3.01 3.85 3.64 0.55 0.00 -1.26 -5.17 105.19 103.79 2dba n GLY 14 Ca 0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 2dba n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dba s THR 15 N -1.51 -0.26 0.95 2.61 2.01 -1.26 -5.17 115.64 113.00 2dba s THR 15 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2dba s THR 15 Cb 0.00 -1.00 0.23 0.00 0.01 0.00 0.00 72.50 71.74 2dba s THR 15 CO 0.00 0.00 0.84 -0.81 -0.69 0.00 0.00 174.62 173.96 2dba n PRO 16 N 4.60 -2.66 -4.63 4.92 -0.04 -1.26 -5.08 135.00 130.85 2dba n PRO 16 Ca -0.18 -1.34 -0.24 0.00 -0.04 0.00 0.00 63.50 61.69 2dba n PRO 16 Cb 0.56 -1.26 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.90 1.32 1.15 0.54 -1.05 -1.26 -5.15 118.70 109.35 2dba s GLU 17 Ca 0.55 -0.86 -0.17 0.00 -0.15 0.00 0.00 54.97 54.33 2dba s GLU 17 Cb -0.05 -1.39 0.26 0.00 -0.44 0.00 0.00 34.13 32.51 2dba s GLU 17 CO 0.42 0.36 1.10 -1.25 0.95 0.00 0.00 175.26 176.84 2dba s PRO 18 N -1.05 -0.79 -0.74 -4.83 0.04 -1.26 -5.02 135.00 121.35 2dba s PRO 18 Ca 0.06 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.21 2dba s PRO 18 Cb -0.08 -1.63 0.18 0.00 0.04 0.00 0.00 34.50 33.00 2dba s PRO 18 CO 0.01 -3.46 0.56 1.03 0.04 0.00 0.00 177.00 175.18 2dba s ARG 19 N -5.28 2.68 0.79 4.56 0.52 -1.26 -5.09 118.95 115.87 2dba s ARG 19 Ca 0.69 -3.21 -0.13 0.00 -0.52 0.00 0.00 55.73 52.56 2dba s ARG 19 Cb -0.12 -3.60 0.20 0.00 0.52 0.00 0.00 34.95 31.94 2dba s ARG 19 CO 0.56 -1.25 0.70 -0.35 0.02 0.00 0.00 175.30 174.98 2dba n PRO 20 N 2.29 -2.39 -2.53 3.54 -0.04 -1.26 -4.46 135.00 130.14 2dba n PRO 20 Ca 0.18 -1.12 -0.09 0.00 -0.04 0.00 0.00 63.50 62.43 2dba n PRO 20 Cb 0.35 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 32.78 2dba n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dba n ALA 21 N -4.21 -0.38 -2.36 0.55 0.00 -1.26 -5.04 120.51 107.81 2dba n ALA 21 Ca -0.13 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 2dba n ALA 21 Cb 0.38 -1.83 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 2dba n ALA 21 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2dba s THR 22 N -2.75 1.95 -0.22 0.00 -1.32 -1.26 -5.10 115.64 106.94 2dba s THR 22 Ca 0.11 -1.15 -0.29 0.00 -1.21 0.00 0.00 61.69 59.15 2dba s THR 22 Cb -0.05 -1.64 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 2dba s THR 22 CO 0.14 0.46 1.61 -2.16 -2.21 0.00 0.00 174.62 172.45 2dba s PRO 23 N -0.82 3.80 0.02 7.08 0.04 -1.26 -4.51 135.00 139.35 2dba s PRO 23 Ca 0.10 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2dba s PRO 23 Cb -0.09 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2dba s PRO 23 CO 0.00 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.17 2dba n GLY 24 N 4.65 -4.30 2.60 0.56 0.00 -1.26 -5.06 105.19 102.38 2dba n GLY 24 Ca 0.19 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.28 0.44 -0.39 4.61 0.00 -1.26 -5.01 121.76 119.87 2dba s ALA 25 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2dba s ALA 25 Cb 0.00 -1.08 0.46 0.00 0.00 0.00 0.00 23.12 22.50 2dba s ALA 25 CO 0.00 -1.23 1.41 0.43 0.00 0.00 0.00 175.76 176.37 2dba n SER 26 N 5.28 5.67 -4.59 0.00 7.64 -1.26 -4.25 113.62 122.10 2dba n SER 26 Ca -0.07 -3.76 -0.40 0.00 1.01 0.00 0.00 58.87 55.65 2dba n SER 26 Cb 0.48 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.13 6.38 0.54 6.43 0.01 -1.26 -4.85 113.70 117.84 2dba s SER 27 Ca 0.55 0.30 0.48 0.00 1.31 0.00 0.00 55.95 58.59 2dba s SER 27 Cb 0.44 -2.28 1.71 0.00 0.21 0.00 0.00 66.02 66.10 2dba s SER 27 CO 0.02 -0.36 1.58 1.62 0.41 0.00 0.00 173.24 176.50 2dba h VAL 28 N 5.49 0.01 -0.03 3.43 3.04 -1.90 1.28 116.25 127.57 2dba h VAL 28 Ca -0.29 -0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.32 2dba h VAL 28 Cb 1.13 0.01 0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2dba h VAL 28 CO 0.74 0.00 -0.30 -0.08 -1.01 0.00 0.00 177.57 176.92 2dba h GLU 29 N 0.00 0.25 0.00 4.17 4.81 -1.93 -3.22 114.58 118.66 2dba h GLU 29 Ca 0.93 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 2dba h GLU 29 Cb 3.66 0.06 0.00 0.00 0.63 0.00 0.00 28.75 33.10 2dba h GLU 29 CO -0.07 0.92 -0.29 0.37 -0.73 0.00 0.00 179.01 179.21 2dba h GLN 30 N -0.33 0.00 -1.51 1.92 5.75 0.65 -3.36 115.11 118.23 2dba h GLN 30 Ca -0.03 0.00 0.47 0.00 -0.15 0.00 0.00 58.65 58.94 2dba h GLN 30 Cb 1.00 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.45 2dba h GLN 30 CO 0.06 0.00 1.04 1.47 -2.65 0.00 0.00 178.83 178.75 2dba n LEU 31 N -4.22 0.09 -0.40 -2.39 -0.00 0.35 -0.88 117.00 109.55 2dba n LEU 31 Ca -0.04 1.06 -0.10 0.00 -0.00 0.00 0.00 56.01 56.93 2dba n LEU 31 Cb 0.15 -0.53 -0.09 0.00 -0.00 0.00 0.00 43.42 42.95 2dba n LEU 31 CO 0.06 -1.12 0.46 -1.14 -0.00 0.00 0.00 177.39 175.66 2dba n ARG 32 N -4.10 -0.42 -0.31 1.47 0.00 -1.21 0.65 116.66 112.74 2dba n ARG 32 Ca 0.38 1.45 0.16 0.00 -0.00 0.00 0.00 57.85 59.83 2dba n ARG 32 Cb 1.61 -2.13 0.33 0.00 0.00 0.00 0.00 32.46 32.27 2dba n ARG 32 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2dba h LYS 33 N 0.00 0.12 -0.98 -0.14 1.79 -1.26 0.39 116.57 116.48 2dba h LYS 33 Ca 0.16 -0.01 0.34 0.00 -2.18 0.00 0.00 60.65 58.96 2dba h LYS 33 Cb 0.39 -0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 30.85 2dba h LYS 33 CO -0.90 0.08 0.42 1.49 -1.08 0.00 0.00 179.45 179.46 2dba h GLU 34 N 0.12 0.12 0.14 3.15 4.57 0.06 0.13 114.58 122.88 2dba h GLU 34 Ca 0.60 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.77 2dba h GLU 34 Cb 1.28 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2dba h GLU 34 CO -0.75 0.08 -0.07 0.78 -1.18 0.00 0.00 179.01 177.87 2dba h GLY 35 N 0.12 -0.20 0.51 1.92 0.00 -0.24 -3.12 103.07 102.07 2dba h GLY 35 Ca 0.74 0.07 0.01 0.00 0.00 0.00 0.00 47.33 48.14 2dba h GLY 35 CO -0.73 -0.07 -0.38 3.43 0.00 0.00 0.00 176.54 178.79 2dba h ASN 36 N -0.59 -1.05 -0.99 0.19 4.21 -0.82 -1.48 115.58 115.05 2dba h ASN 36 Ca -0.02 0.10 0.35 0.00 1.21 0.00 0.00 56.30 57.94 2dba h ASN 36 Cb 0.45 0.37 -0.17 0.00 -1.12 0.00 0.00 38.32 37.85 2dba h ASN 36 CO 0.03 -0.50 0.41 -0.33 -1.29 0.00 0.00 177.43 175.76 2dba h GLU 37 N -0.71 0.08 -0.15 0.81 4.39 -1.07 1.41 114.58 119.34 2dba h GLU 37 Ca -0.01 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 2dba h GLU 37 Cb 0.67 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2dba h GLU 37 CO -0.12 0.06 -0.57 -0.07 -1.16 0.00 0.00 179.01 177.14 2dba h LEU 38 N 0.09 0.53 0.06 1.33 3.38 -1.30 -3.03 115.31 116.37 2dba h LEU 38 Ca 0.75 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 2dba h LEU 38 Cb 1.82 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2dba h LEU 38 CO -0.76 0.99 -0.03 0.15 0.09 0.00 0.00 178.44 178.88 2dba h PHE 39 N 0.36 -0.08 0.00 1.13 3.57 0.28 -0.13 116.94 122.06 2dba h PHE 39 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2dba h PHE 39 Cb 1.11 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2dba h PHE 39 CO 0.04 0.25 0.00 0.36 -2.23 0.00 0.00 178.31 176.73 2dba n LYS 40 N -4.97 0.04 -0.03 1.11 2.85 0.24 -1.15 118.16 116.25 2dba n LYS 40 Ca -0.08 0.31 0.03 0.00 -1.05 0.00 0.00 58.31 57.51 2dba n LYS 40 Cb 0.20 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.95 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 1.75 1.39 3.54 0.00 0.00 -0.19 -5.04 105.19 106.65 2dba n GLY 42 Ca -0.11 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2dba n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dba n ASP 43 N 0.04 1.63 -0.07 1.61 8.00 -0.45 -4.76 116.55 122.55 2dba n ASP 43 Ca 0.00 -0.61 -0.17 0.00 0.71 0.00 0.00 54.79 54.72 2dba n ASP 43 Cb 0.00 -1.43 -0.13 0.00 -0.02 0.00 0.00 41.12 39.55 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 44 N 16.41 0.07 -1.15 1.24 0.05 -1.93 -2.71 116.97 128.94 2dba h TYR 44 Ca -0.14 -0.05 0.33 0.00 0.05 0.00 0.00 58.73 58.92 2dba h TYR 44 Cb 1.21 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.89 2dba h TYR 44 CO 1.05 1.20 0.80 0.78 -1.05 0.00 0.00 178.16 180.95 2dba h GLY 45 N -0.88 0.39 0.00 3.88 0.00 -1.94 -2.32 103.07 102.20 2dba h GLY 45 Ca -0.13 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 2dba h GLY 45 CO -0.05 -0.05 -0.67 -1.33 0.00 0.00 0.00 176.54 174.43 2dba h GLY 46 N 0.11 0.00 -0.88 4.60 0.00 -1.96 -3.31 103.07 101.64 2dba h GLY 46 Ca 0.58 0.00 0.35 0.00 0.00 0.00 0.00 47.33 48.26 2dba h GLY 46 CO -0.10 0.00 0.40 0.00 0.00 0.00 0.00 176.54 176.84 2dba n ALA 47 N -3.45 0.83 -0.02 3.60 0.00 -1.01 0.11 120.51 120.58 2dba n ALA 47 Ca -0.14 0.90 -0.13 0.00 0.00 0.00 0.00 53.44 54.07 2dba n ALA 47 Cb 0.38 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 0.11 -0.67 0.00 7.12 -1.60 -2.94 115.31 117.33 2dba h LEU 48 Ca 0.71 -0.37 0.13 0.00 0.13 0.00 0.00 57.88 58.48 2dba h LEU 48 Cb 1.84 -0.03 -0.13 0.00 -0.53 0.00 0.00 40.66 41.81 2dba h LEU 48 CO -0.70 0.46 -0.24 0.00 -0.13 0.00 0.00 178.44 177.82 2dba h ALA 49 N 0.66 0.26 0.30 1.25 0.00 0.74 -0.57 119.26 121.89 2dba h ALA 49 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dba h ALA 49 Cb 0.41 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2dba h ALA 49 CO 0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 179.25 178.41 2dba h ALA 50 N 1.42 -0.66 -1.00 0.00 0.00 -1.45 -1.78 119.26 115.79 2dba h ALA 50 Ca 0.30 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.37 2dba h ALA 50 Cb 0.53 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2dba h ALA 50 CO -0.71 -0.91 0.67 1.88 0.00 0.00 0.00 179.25 180.18 2dba h TYR 51 N -0.65 0.41 0.92 0.00 0.05 -1.09 -1.69 116.97 114.93 2dba h TYR 51 Ca -0.01 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2dba h TYR 51 Cb 0.60 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 38.23 2dba h TYR 51 CO -0.20 0.06 -0.44 1.15 -1.05 0.00 0.00 178.16 177.68 2dba h THR 52 N 0.27 0.08 -0.54 -2.88 2.02 -0.25 -2.39 112.91 109.22 2dba h THR 52 Ca 0.53 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.80 2dba h THR 52 Cb 1.56 0.08 -0.11 0.00 -1.74 0.00 0.00 68.15 67.95 2dba h THR 52 CO -0.17 0.00 -0.20 1.56 0.37 0.00 0.00 175.52 177.09 2dba h GLN 53 N -1.25 -0.07 -0.48 6.66 4.20 -1.08 0.15 115.11 123.24 2dba h GLN 53 Ca -0.13 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.68 2dba h GLN 53 Cb 0.95 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.65 2dba h GLN 53 CO 0.21 -0.04 -0.17 0.00 -0.67 0.00 0.00 178.83 178.16 2dba h ALA 54 N 1.37 0.23 -0.31 3.87 0.00 -1.41 -1.47 119.26 121.54 2dba h ALA 54 Ca 0.25 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2dba h ALA 54 Cb 0.46 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dba h ALA 54 CO -0.59 -0.50 0.11 -0.07 0.00 0.00 0.00 179.25 178.20 2dba h LEU 55 N -0.06 0.44 -0.83 0.00 3.38 -0.66 -2.97 115.31 114.62 2dba h LEU 55 Ca 0.23 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.21 2dba h LEU 55 Cb 0.41 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 40.93 2dba h LEU 55 CO -0.52 0.51 0.28 1.23 0.09 0.00 0.00 178.44 180.03 2dba h GLY 56 N 0.35 1.29 -2.41 0.83 0.00 0.23 -3.41 103.07 99.95 2dba h GLY 56 Ca 0.10 -0.10 -0.50 0.00 0.00 0.00 0.00 47.33 46.84 2dba h GLY 56 CO -0.01 -0.24 0.44 1.08 0.00 0.00 0.00 176.54 177.81 2dba s LEU 57 N -10.55 3.91 -1.08 3.11 1.43 -0.75 -4.91 118.68 109.84 2dba s LEU 57 Ca -0.12 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 54.92 2dba s LEU 57 Cb 0.24 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.03 2dba s LEU 57 CO 0.77 -0.95 1.82 -0.62 0.23 0.00 0.00 176.35 177.60 2dba s ASP 58 N -1.62 5.63 0.57 2.29 2.15 -1.26 -4.94 116.67 119.48 2dba s ASP 58 Ca 0.67 -1.41 0.05 0.00 0.43 0.00 0.00 52.55 52.28 2dba s ASP 58 Cb -0.24 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.87 2dba s ASP 58 CO 0.29 -2.37 0.79 0.00 -0.17 0.00 0.00 175.17 173.70 2dba s ALA 59 N 8.51 4.25 0.88 3.66 0.00 -1.26 -5.08 121.76 132.72 2dba s ALA 59 Ca 0.63 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 2dba s ALA 59 Cb -0.02 -1.76 0.13 0.00 0.00 0.00 0.00 23.12 21.46 2dba s ALA 59 CO 0.03 -0.86 1.15 0.95 0.00 0.00 0.00 175.76 177.04 2dba s THR 60 N -2.73 2.17 -0.40 0.00 -4.23 -1.26 -4.82 115.64 104.36 2dba s THR 60 Ca 0.60 0.06 0.25 0.00 -1.18 0.00 0.00 61.69 61.42 2dba s THR 60 Cb -0.08 -2.19 0.26 0.00 1.34 0.00 0.00 72.50 71.84 2dba s THR 60 CO 0.39 -0.07 1.75 1.55 -0.54 0.00 0.00 174.62 177.69 2dba h PRO 61 N -1.61 0.00 0.00 3.99 0.13 -2.00 -2.34 132.00 130.17 2dba h PRO 61 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dba h PRO 61 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dba h PRO 61 CO 0.43 0.00 -0.87 0.37 -0.23 0.00 0.00 178.00 177.70 2dba h GLN 62 N 0.00 0.00 0.02 0.86 5.75 -1.97 -3.36 115.11 116.41 2dba h GLN 62 Ca 0.00 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.17 2dba h GLN 62 Cb 0.37 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.87 2dba h GLN 62 CO 0.00 0.00 -1.97 -3.47 -2.65 0.00 0.00 178.83 170.74 2dba n ASP 63 N -2.44 0.89 0.33 -0.69 2.03 -0.93 -3.96 116.55 111.78 2dba n ASP 63 Ca 0.01 0.25 0.21 0.00 0.52 0.00 0.00 54.79 55.78 2dba n ASP 63 Cb 0.50 0.08 1.14 0.00 -0.72 0.00 0.00 41.12 42.12 2dba n ASP 63 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2dba h GLN 64 N 0.01 0.00 0.00 -0.67 4.20 -1.58 -2.63 115.11 114.44 2dba h GLN 64 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2dba h GLN 64 Cb 2.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.85 2dba h GLN 64 CO 0.06 0.00 -0.11 0.00 -0.67 0.00 0.00 178.83 178.11 2dba h ALA 65 N 1.99 0.00 -1.26 3.87 0.00 -1.73 -3.04 119.26 119.10 2dba h ALA 65 Ca 0.00 -0.13 0.42 0.00 0.00 0.00 0.00 54.91 55.20 2dba h ALA 65 Cb 0.01 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.78 2dba h ALA 65 CO -0.00 0.11 0.80 -0.24 0.00 0.00 0.00 179.25 179.92 2dba h VAL 66 N -0.68 0.14 -0.00 0.00 3.04 -1.66 1.74 116.25 118.83 2dba h VAL 66 Ca 0.00 -0.04 -0.18 0.00 -1.01 0.00 0.00 66.70 65.47 2dba h VAL 66 Cb 0.11 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.39 2dba h VAL 66 CO 0.00 0.02 -0.81 -0.07 -1.01 0.00 0.00 177.57 175.70 2dba h LEU 67 N 0.11 0.14 0.25 3.16 3.38 -1.62 -2.78 115.31 117.95 2dba h LEU 67 Ca 0.81 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.66 2dba h LEU 67 Cb 2.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.14 2dba h LEU 67 CO -0.45 0.89 -0.12 0.45 0.09 0.00 0.00 178.44 179.29 2dba h HIS 68 N 0.06 -0.32 0.00 1.13 3.86 0.27 0.74 115.15 120.89 2dba h HIS 68 Ca -0.02 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2dba h HIS 68 Cb 1.42 0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.99 2dba h HIS 68 CO 0.02 0.03 -0.04 0.07 0.86 0.00 0.00 177.93 178.86 2dba h ARG 69 N -0.73 0.00 0.06 2.45 0.11 -1.32 -2.98 114.38 111.97 2dba h ARG 69 Ca -0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 2dba h ARG 69 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2dba h ARG 69 CO 0.06 0.04 -0.03 -0.91 0.10 0.00 0.00 179.97 179.23 2dba h ASN 70 N 0.00 -0.07 -0.98 0.08 2.35 -1.38 -3.34 115.58 112.25 2dba h ASN 70 Ca -0.00 -0.33 0.29 0.00 -0.55 0.00 0.00 56.30 55.70 2dba h ASN 70 Cb 0.10 0.02 -0.18 0.00 0.05 0.00 0.00 38.32 38.30 2dba h ASN 70 CO 0.01 0.57 0.08 0.54 -1.65 0.00 0.00 177.43 176.98 2dba n ARG 71 N -4.79 -0.08 -0.33 0.81 1.74 0.24 0.18 116.66 114.44 2dba n ARG 71 Ca -0.05 1.45 0.04 0.00 -0.77 0.00 0.00 57.85 58.53 2dba n ARG 71 Cb 0.19 -2.34 0.11 0.00 -1.02 0.00 0.00 32.46 29.40 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 1.96 0.56 -0.45 7.54 0.00 -1.64 -1.01 119.26 126.22 2dba h ALA 72 Ca 0.62 0.35 0.05 0.00 0.00 0.00 0.00 54.91 55.93 2dba h ALA 72 Cb 1.34 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 2dba h ALA 72 CO -0.90 -0.41 -0.40 0.00 0.00 0.00 0.00 179.25 177.54 2dba h ALA 73 N 1.86 -0.54 -0.92 0.00 0.00 -0.44 -0.53 119.26 118.69 2dba h ALA 73 Ca 0.43 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.49 2dba h ALA 73 Cb 0.66 1.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.43 2dba h ALA 73 CO -0.94 -0.76 -0.44 0.00 0.00 0.00 0.00 179.25 177.10 2dba h HIS 75 N 0.00 -1.31 -0.90 0.00 3.86 -1.18 -1.10 115.15 114.51 2dba h HIS 75 Ca 0.24 0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.71 2dba h HIS 75 Cb 0.47 0.52 -0.16 0.00 1.06 0.00 0.00 27.41 29.30 2dba h HIS 75 CO -0.87 -0.63 0.16 -0.07 0.86 0.00 0.00 177.93 177.38 2dba h LEU 76 N -0.93 -0.17 -1.03 2.43 3.38 0.52 0.95 115.31 120.46 2dba h LEU 76 Ca -0.05 0.23 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2dba h LEU 76 Cb 0.82 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2dba h LEU 76 CO -0.09 -0.24 -0.02 0.11 0.09 0.00 0.00 178.44 178.30 2dba h LYS 77 N 0.12 0.68 -1.27 1.13 1.79 -0.45 -2.60 116.57 115.97 2dba h LYS 77 Ca 0.57 -0.17 -0.32 0.00 -2.18 0.00 0.00 60.65 58.55 2dba h LYS 77 Cb 1.17 -0.08 -0.16 0.00 -1.58 0.00 0.00 32.23 31.58 2dba h LYS 77 CO -0.75 0.71 0.41 1.28 -1.08 0.00 0.00 179.45 180.02 2dba n LEU 78 N -4.23 5.86 -3.89 2.94 4.77 0.30 -4.83 117.00 117.93 2dba n LEU 78 Ca 0.02 -3.04 -0.26 0.00 -0.03 0.00 0.00 56.01 52.70 2dba n LEU 78 Cb 0.29 -0.89 0.01 0.00 -2.33 0.00 0.00 43.42 40.50 2dba n LEU 78 CO 0.41 1.05 -0.08 -0.62 -1.33 0.00 0.00 177.39 176.81 2dba n GLU 79 N -0.02 -4.35 -3.55 3.23 4.71 -0.96 -4.93 120.64 114.77 2dba n GLU 79 Ca 0.32 0.52 -0.27 0.00 -0.01 0.00 0.00 57.16 57.72 2dba n GLU 79 Cb 0.82 -5.03 -0.10 0.00 -1.01 0.00 0.00 31.44 26.12 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 -2.94 2.32 0.01 1.62 8.00 0.35 -4.88 116.55 121.03 2dba n ASP 80 Ca -0.19 -3.09 -0.15 0.00 0.71 0.00 0.00 54.79 52.08 2dba n ASP 80 Cb 0.63 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.91 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 4.78 0.27 -0.90 1.24 -1.99 -1.86 -2.90 116.97 115.60 2dba h TYR 81 Ca 0.17 -0.20 0.14 0.00 2.00 0.00 0.00 58.73 60.84 2dba h TYR 81 Cb 0.76 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 39.41 2dba h TYR 81 CO 0.59 1.35 0.58 -0.44 -0.00 0.00 0.00 178.16 180.24 2dba h ASP 82 N 0.04 0.70 0.07 3.88 5.19 -1.91 -2.08 116.42 122.30 2dba h ASP 82 Ca -0.31 0.04 -0.22 0.00 -0.62 0.00 0.00 57.03 55.92 2dba h ASP 82 Cb 2.01 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 41.41 2dba h ASP 82 CO 0.11 0.36 -1.16 0.11 -3.12 0.00 0.00 179.24 175.54 2dba h LYS 83 N 0.74 0.14 -0.74 3.56 1.57 -1.98 -3.38 116.57 116.49 2dba h LYS 83 Ca 0.45 -0.24 0.09 0.00 -1.87 0.00 0.00 60.65 59.08 2dba h LYS 83 Cb 0.66 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.95 2dba h LYS 83 CO -0.21 1.12 -0.49 0.00 -0.57 0.00 0.00 179.45 179.29 2dba h ALA 84 N -0.15 -0.38 -0.93 3.86 0.00 -1.28 0.13 119.26 120.52 2dba h ALA 84 Ca -0.27 0.12 0.21 0.00 0.00 0.00 0.00 54.91 54.98 2dba h ALA 84 Cb 1.53 1.11 -0.17 0.00 0.00 0.00 0.00 17.79 20.26 2dba h ALA 84 CO -0.02 -0.87 -0.10 1.49 0.00 0.00 0.00 179.25 179.75 2dba h GLU 85 N -0.15 0.02 0.63 0.00 4.81 -1.57 -0.27 114.58 118.04 2dba h GLU 85 Ca 0.19 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2dba h GLU 85 Cb 0.53 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2dba h GLU 85 CO -0.80 0.01 -0.50 1.15 -0.73 0.00 0.00 179.01 178.15 2dba h THR 86 N 0.02 0.02 -0.12 0.32 2.02 -0.92 -2.67 112.91 111.58 2dba h THR 86 Ca 0.50 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.69 2dba h THR 86 Cb 0.88 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2dba h THR 86 CO -0.90 0.00 -0.18 -0.33 0.37 0.00 0.00 175.52 174.47 2dba h GLU 87 N -1.09 -0.14 -0.70 6.66 5.08 -0.64 -2.36 114.58 121.40 2dba h GLU 87 Ca -0.08 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2dba h GLU 87 Cb 0.91 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.11 2dba h GLU 87 CO 0.01 -0.09 -0.41 0.00 -1.00 0.00 0.00 179.01 177.52 2dba n ALA 88 N -2.81 -0.45 -0.36 3.43 0.00 -0.65 0.07 120.51 119.75 2dba n ALA 88 Ca -0.01 0.60 -0.05 0.00 0.00 0.00 0.00 53.44 53.97 2dba n ALA 88 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 2dba n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dba h SER 89 N 0.00 -1.68 -0.59 0.00 0.87 -1.07 0.31 113.55 111.40 2dba h SER 89 Ca 0.11 0.31 0.12 0.00 -1.23 0.00 0.00 61.79 61.10 2dba h SER 89 Cb 0.29 0.81 -0.10 0.00 -0.44 0.00 0.00 62.40 62.95 2dba h SER 89 CO -0.66 -0.28 -0.06 0.11 -0.53 0.00 0.00 176.83 175.42 2dba h LYS 90 N -0.04 0.06 0.25 2.24 1.57 -0.08 -0.63 116.57 119.95 2dba h LYS 90 Ca 0.26 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2dba h LYS 90 Cb 0.53 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2dba h LYS 90 CO -0.92 0.04 -0.39 0.00 -0.57 0.00 0.00 179.45 177.61 2dba h ALA 91 N 1.56 -0.98 -0.47 3.86 0.00 0.12 0.34 119.26 123.69 2dba h ALA 91 Ca 0.30 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.23 2dba h ALA 91 Cb 0.47 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2dba h ALA 91 CO -0.55 -1.04 0.49 0.82 0.00 0.00 0.00 179.25 178.98 2dba h ILE 92 N -0.67 0.37 0.18 0.00 2.04 -0.86 0.20 117.51 118.77 2dba h ILE 92 Ca -0.03 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.53 2dba h ILE 92 Cb 0.61 0.61 0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2dba h ILE 92 CO -0.12 0.00 -1.38 -0.08 0.00 0.00 0.00 178.15 176.57 2dba h GLU 93 N 0.00 0.38 -0.02 2.37 4.57 0.33 -0.40 114.58 121.82 2dba h GLU 93 Ca 0.22 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2dba h GLU 93 Cb 1.20 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2dba h GLU 93 CO -0.00 1.31 -0.01 0.87 -1.18 0.00 0.00 179.01 180.00 2dba h LYS 94 N 0.10 -0.01 0.00 1.92 1.79 0.28 -3.39 116.57 117.27 2dba h LYS 94 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2dba h LYS 94 Cb 2.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.71 2dba h LYS 94 CO 0.23 -0.01 0.00 -3.47 -1.08 0.00 0.00 179.45 175.12 2dba n ASP 95 N -5.11 0.00 0.00 0.86 2.03 -0.97 -5.06 116.55 108.31 2dba n ASP 95 Ca -0.07 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2dba n ASP 95 Cb 0.04 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 1.63 3.74 2.68 0.27 0.00 -0.16 -4.96 105.19 108.39 2dba n GLY 96 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 5.85 2.98 -0.02 0.00 -1.26 -4.94 105.19 107.79 2dba n GLY 97 Ca 0.00 -2.74 -0.31 0.00 0.00 0.00 0.00 46.02 42.97 2dba n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dba s ASP 98 N -3.18 4.51 0.31 1.61 -4.77 -1.26 -4.94 116.67 108.94 2dba s ASP 98 Ca 0.48 -2.80 0.01 0.00 -3.30 0.00 0.00 52.55 46.94 2dba s ASP 98 Cb 0.35 -1.66 0.49 0.00 -1.09 0.00 0.00 42.92 41.01 2dba s ASP 98 CO -0.19 -0.28 1.84 -0.37 0.70 0.00 0.00 175.17 176.87 2dba h VAL 99 N 5.72 1.21 -0.98 2.11 -1.51 -1.95 -2.93 116.25 117.93 2dba h VAL 99 Ca -0.07 -0.82 0.38 0.00 -1.23 0.00 0.00 66.70 64.97 2dba h VAL 99 Cb 0.93 0.83 -0.15 0.00 -2.13 0.00 0.00 31.29 30.77 2dba h VAL 99 CO 0.66 0.29 0.57 0.29 -1.23 0.00 0.00 177.57 178.15 2dba n LYS 100 N -4.27 -0.05 0.10 5.19 4.76 -1.26 0.19 118.16 122.82 2dba n LYS 100 Ca 0.03 1.18 -0.20 0.00 -2.87 0.00 0.00 58.31 56.44 2dba n LYS 100 Cb 0.24 -2.17 -0.15 0.00 -1.84 0.00 0.00 35.03 31.11 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 1.64 0.08 -0.94 7.82 0.00 -1.84 -3.24 119.26 122.79 2dba h ALA 101 Ca 0.75 -1.00 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2dba h ALA 101 Cb 2.13 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 20.10 2dba h ALA 101 CO -0.59 0.95 0.61 -0.07 0.00 0.00 0.00 179.25 180.15 2dba h LEU 102 N 0.10 1.00 -1.21 0.00 3.38 0.21 0.33 115.31 119.12 2dba h LEU 102 Ca -0.25 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2dba h LEU 102 Cb 2.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2dba h LEU 102 CO 0.21 0.67 -0.36 0.22 0.09 0.00 0.00 178.44 179.27 2dba h TYR 103 N 1.16 0.00 0.06 1.13 3.20 -1.02 -2.76 116.97 118.74 2dba h TYR 103 Ca 0.38 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.99 2dba h TYR 103 Cb 0.05 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2dba h TYR 103 CO -0.01 0.36 -1.34 0.00 -1.64 0.00 0.00 178.16 175.53 2dba h ARG 104 N 0.00 0.12 -0.38 1.82 3.08 -1.22 -3.34 114.38 114.46 2dba h ARG 104 Ca -0.00 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 2dba h ARG 104 Cb 0.73 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2dba h ARG 104 CO 0.05 0.97 0.13 -0.09 -1.07 0.00 0.00 179.97 179.96 2dba h ARG 105 N 0.03 0.58 -0.71 0.04 2.43 -0.22 -2.95 114.38 113.59 2dba h ARG 105 Ca -0.15 -0.12 0.14 0.00 -0.81 0.00 0.00 59.98 59.04 2dba h ARG 105 Cb 1.92 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 31.29 2dba h ARG 105 CO 0.14 0.58 0.20 0.66 -1.51 0.00 0.00 179.97 180.05 2dba h SER 106 N 0.47 0.09 -1.02 -3.80 4.64 -1.62 0.17 113.55 112.48 2dba h SER 106 Ca 0.12 0.13 0.26 0.00 -0.47 0.00 0.00 61.79 61.83 2dba h SER 106 Cb 0.24 0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.40 2dba h SER 106 CO -0.01 0.02 0.68 1.56 -0.87 0.00 0.00 176.83 178.21 2dba h GLN 107 N 0.32 0.32 0.11 4.77 1.08 -1.64 -1.47 115.11 118.60 2dba h GLN 107 Ca 0.39 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.57 2dba h GLN 107 Cb 0.63 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2dba h GLN 107 CO -0.45 0.21 -0.05 0.00 -0.95 0.00 0.00 178.83 177.59 2dba h ALA 108 N 1.59 -0.15 -0.94 3.87 0.00 -0.76 -3.24 119.26 119.63 2dba h ALA 108 Ca 0.56 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.54 2dba h ALA 108 Cb 1.54 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 19.23 2dba h ALA 108 CO -0.22 -0.18 0.36 -0.07 0.00 0.00 0.00 179.25 179.13 2dba h LEU 109 N -0.95 0.16 0.21 0.00 3.38 -0.75 0.14 115.31 117.49 2dba h LEU 109 Ca -0.02 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2dba h LEU 109 Cb 0.47 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2dba h LEU 109 CO 0.03 -0.20 -0.24 -0.33 0.09 0.00 0.00 178.44 177.78 2dba h GLU 110 N 0.21 -0.48 0.00 1.13 4.39 -1.39 0.41 114.58 118.85 2dba h GLU 110 Ca 0.65 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.36 2dba h GLU 110 Cb 1.43 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2dba h GLU 110 CO -0.68 -0.32 -0.09 0.87 -1.16 0.00 0.00 179.01 177.63 2dba h LYS 111 N -0.50 0.00 -0.00 2.33 6.56 -0.86 0.06 116.57 124.16 2dba h LYS 111 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2dba h LYS 111 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2dba h LYS 111 CO -0.08 0.09 -0.00 1.28 -2.06 0.00 0.00 179.45 178.67 2dba n LEU 112 N -3.97 0.27 0.00 2.94 4.77 0.00 -4.87 117.00 116.14 2dba n LEU 112 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2dba n LEU 112 Cb 0.18 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2dba n LEU 112 CO 0.31 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2dba n GLY 113 N 1.05 0.58 2.66 -0.72 0.00 0.01 -4.94 105.19 103.83 2dba n GLY 113 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2dba n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dba n ARG 114 N -2.83 4.59 0.33 1.61 1.74 0.13 -4.79 116.66 117.44 2dba n ARG 114 Ca 0.00 -4.10 -0.18 0.00 -0.77 0.00 0.00 57.85 52.80 2dba n ARG 114 Cb 0.00 -2.44 -0.10 0.00 -1.02 0.00 0.00 32.46 28.91 2dba n ARG 114 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dba h LEU 115 N 4.18 -1.30 -0.77 0.55 3.38 -1.83 -2.16 115.31 117.36 2dba h LEU 115 Ca 0.56 0.09 0.28 0.00 0.09 0.00 0.00 57.88 58.91 2dba h LEU 115 Cb 0.28 0.41 -0.14 0.00 0.09 0.00 0.00 40.66 41.31 2dba h LEU 115 CO 1.26 -0.67 0.26 0.47 0.09 0.00 0.00 178.44 179.85 2dba n ASP 116 N -5.43 0.13 0.02 -0.43 9.92 -1.26 0.12 116.55 119.63 2dba n ASP 116 Ca -0.12 1.28 -0.13 0.00 -0.53 0.00 0.00 54.79 55.29 2dba n ASP 116 Cb 0.46 -0.56 -0.09 0.00 -0.64 0.00 0.00 41.12 40.28 2dba n ASP 116 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dba h GLN 117 N 0.00 -0.07 -0.93 -1.24 1.08 -1.82 -3.13 115.11 109.00 2dba h GLN 117 Ca 0.58 0.00 0.25 0.00 -1.45 0.00 0.00 58.65 58.03 2dba h GLN 117 Cb 1.43 0.02 -0.17 0.00 -0.05 0.00 0.00 27.48 28.70 2dba h GLN 117 CO -0.64 0.36 -0.02 0.00 -0.95 0.00 0.00 178.83 177.58 2dba n ALA 118 N -2.36 0.44 -0.21 3.87 0.00 0.33 0.14 120.51 122.72 2dba n ALA 118 Ca -0.08 1.00 -0.08 0.00 0.00 0.00 0.00 53.44 54.28 2dba n ALA 118 Cb 0.24 -0.71 0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 1.24 0.09 0.00 2.07 -1.49 -1.75 116.25 116.41 2dba h VAL 119 Ca 0.55 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2dba h VAL 119 Cb 1.09 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2dba h VAL 119 CO -0.88 0.30 -0.04 -0.07 0.02 0.00 0.00 177.57 176.89 2dba h LEU 120 N 0.82 -0.10 -1.90 2.57 3.38 0.12 0.27 115.31 120.46 2dba h LEU 120 Ca 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dba h LEU 120 Cb 0.26 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dba h LEU 120 CO -0.01 0.13 0.00 -0.78 0.09 0.00 0.00 178.44 177.87 2dba h ASP 121 N -0.34 0.00 0.11 -0.43 3.58 -0.55 -2.30 116.42 116.49 2dba h ASP 121 Ca -0.01 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.07 2dba h ASP 121 Cb 0.29 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2dba h ASP 121 CO 0.02 0.00 -2.11 0.18 -2.88 0.00 0.00 179.24 174.45 2dba n LEU 122 N -2.62 2.63 0.32 2.28 4.77 -0.67 -4.08 117.00 119.63 2dba n LEU 122 Ca -0.01 0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2dba n LEU 122 Cb 0.09 -1.00 0.48 0.00 -2.33 0.00 0.00 43.42 40.67 2dba n LEU 122 CO 0.16 0.86 1.08 1.56 -1.33 0.00 0.00 177.39 179.72 2dba h GLN 123 N 0.05 0.00 0.04 3.23 4.20 0.12 1.05 115.11 123.80 2dba h GLN 123 Ca -0.46 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 57.95 2dba h GLN 123 Cb 2.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.75 2dba h GLN 123 CO 0.04 0.00 -1.65 0.00 -0.67 0.00 0.00 178.83 176.56 2dba h ARG 124 N 0.00 0.09 -0.38 1.46 3.08 -1.71 -3.29 114.38 113.63 2dba h ARG 124 Ca 0.01 -0.15 0.11 0.00 0.07 0.00 0.00 59.98 60.02 2dba h ARG 124 Cb 1.25 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 2dba h ARG 124 CO -0.00 0.78 0.35 0.00 -1.07 0.00 0.00 179.97 180.03 2dba h VAL 126 N 0.00 0.90 -0.52 0.00 2.07 -1.66 -2.43 116.25 114.61 2dba h VAL 126 Ca 0.18 -2.51 -0.02 0.00 0.82 0.00 0.00 66.70 65.17 2dba h VAL 126 Cb 0.88 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 2dba h VAL 126 CO -0.00 0.86 0.23 -1.28 0.02 0.00 0.00 177.57 177.39 2dba h SER 127 N 0.10 0.66 0.27 0.57 0.87 -1.25 -1.79 113.55 112.98 2dba h SER 127 Ca -0.35 -0.07 -0.34 0.00 -1.23 0.00 0.00 61.79 59.80 2dba h SER 127 Cb 2.08 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.89 2dba h SER 127 CO 0.16 0.59 -1.64 -0.07 -0.53 0.00 0.00 176.83 175.34 2dba h LEU 128 N 0.73 0.62 -6.96 2.23 3.38 -1.33 -3.41 115.31 110.58 2dba h LEU 128 Ca 0.18 -0.84 -0.61 0.00 0.09 0.00 0.00 57.88 56.70 2dba h LEU 128 Cb 0.12 -0.20 -0.41 0.00 0.09 0.00 0.00 40.66 40.26 2dba h LEU 128 CO -0.02 1.70 -0.70 -1.61 0.09 0.00 0.00 178.44 177.89 2dba s GLU 129 N -2.59 1.79 0.00 1.13 0.41 -0.91 -4.93 118.70 113.59 2dba s GLU 129 Ca -0.13 -2.66 0.15 0.00 -0.41 0.00 0.00 54.97 51.92 2dba s GLU 129 Cb 0.05 -2.73 0.70 0.00 -1.78 0.00 0.00 34.13 30.37 2dba s GLU 129 CO 0.88 -1.25 1.42 -0.35 -0.49 0.00 0.00 175.26 175.47 2dba n PRO 130 N 2.70 0.15 -0.08 0.39 -0.04 -0.69 -2.38 135.00 135.05 2dba n PRO 130 Ca 0.17 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.75 2dba n PRO 130 Cb 0.37 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.17 2dba n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dba n LYS 131 N -1.35 0.68 -1.57 0.54 5.02 -1.26 -4.74 118.16 115.47 2dba n LYS 131 Ca 0.06 -0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 2dba n LYS 131 Cb 0.13 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 2dba n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dba n ASN 132 N -2.68 2.25 -0.33 4.39 5.03 -1.00 -4.72 115.26 118.20 2dba n ASN 132 Ca -0.26 -2.62 0.19 0.00 0.87 0.00 0.00 54.58 52.76 2dba n ASN 132 Cb 1.04 -1.46 0.40 0.00 -1.02 0.00 0.00 39.78 38.74 2dba n ASN 132 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 2dba h LYS 133 N 9.92 0.43 -0.96 3.52 -0.00 -1.85 0.55 116.57 128.18 2dba h LYS 133 Ca 0.21 -0.03 0.39 0.00 -0.00 0.00 0.00 60.65 61.22 2dba h LYS 133 Cb 0.87 -0.10 -0.17 0.00 -0.00 0.00 0.00 32.23 32.83 2dba h LYS 133 CO 1.41 0.28 0.47 1.33 -0.00 0.00 0.00 179.45 182.95 2dba n VAL 134 N -4.99 -0.40 0.03 0.07 0.24 -1.26 0.12 118.33 112.13 2dba n VAL 134 Ca 0.28 1.95 -0.12 0.00 -2.04 0.00 0.00 64.34 64.41 2dba n VAL 134 Cb 0.82 -3.15 -0.09 0.00 -1.47 0.00 0.00 33.84 29.95 2dba n VAL 134 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2dba h PHE 135 N 0.00 -0.13 -1.49 6.34 0.04 -1.25 -0.52 116.94 119.93 2dba h PHE 135 Ca 0.79 -0.00 0.43 0.00 2.80 0.00 0.00 57.97 61.99 2dba h PHE 135 Cb 2.07 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 40.20 2dba h PHE 135 CO -0.05 0.38 1.14 1.96 -0.60 0.00 0.00 178.31 181.14 2dba h GLN 136 N -0.74 0.00 0.00 1.51 4.20 -0.36 -0.32 115.11 119.40 2dba h GLN 136 Ca -0.01 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.46 2dba h GLN 136 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2dba h GLN 136 CO 0.02 0.00 -1.41 0.39 -0.67 0.00 0.00 178.83 177.16 2dba n GLU 137 N -3.92 0.55 -0.59 1.46 -0.58 -0.82 -4.10 120.64 112.63 2dba n GLU 137 Ca 0.33 0.48 0.47 0.00 -0.42 0.00 0.00 57.16 58.02 2dba n GLU 137 Cb 1.61 -1.67 0.78 0.00 -0.57 0.00 0.00 31.44 31.59 2dba n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dba h ALA 138 N -0.71 3.52 0.41 0.62 0.00 0.59 0.27 119.26 123.96 2dba h ALA 138 Ca -0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2dba h ALA 138 Cb 1.23 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2dba h ALA 138 CO -0.21 -2.06 -0.20 1.25 0.00 0.00 0.00 179.25 178.03 2dba h LEU 139 N 0.02 -0.46 -1.36 0.00 7.12 -1.48 -3.20 115.31 115.96 2dba h LEU 139 Ca 0.85 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.74 2dba h LEU 139 Cb 3.28 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 43.51 2dba h LEU 139 CO -0.09 -0.04 0.17 0.08 -0.13 0.00 0.00 178.44 178.43 2dba h ARG 140 N -1.02 0.60 -0.96 1.25 0.11 -0.80 0.49 114.38 114.06 2dba h ARG 140 Ca -0.06 -0.08 0.20 0.00 0.10 0.00 0.00 59.98 60.15 2dba h ARG 140 Cb 0.53 -0.11 -0.08 0.00 1.11 0.00 0.00 29.97 31.42 2dba h ARG 140 CO 0.09 0.50 0.61 -0.91 0.10 0.00 0.00 179.97 180.37 2dba h ASN 141 N 0.60 0.57 0.00 0.08 4.21 -0.67 0.52 115.58 120.89 2dba h ASN 141 Ca 0.15 0.07 -0.14 0.00 1.21 0.00 0.00 56.30 57.58 2dba h ASN 141 Cb 0.13 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 2dba h ASN 141 CO -0.01 0.21 -2.00 2.30 -1.29 0.00 0.00 177.43 176.64 2dba n ILE 142 N -4.62 0.52 0.23 2.81 -5.35 -0.87 -4.33 119.36 107.75 2dba n ILE 142 Ca 0.21 -0.56 0.12 0.00 -0.27 0.00 0.00 62.75 62.25 2dba n ILE 142 Cb 0.66 -0.20 0.36 0.00 -1.74 0.00 0.00 39.64 38.72 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 0.00 -4.04 7.28 0.87 0.75 -3.46 113.55 114.95 2dba h SER 143 Ca -0.21 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.80 2dba h SER 143 Cb 1.39 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 63.48 2dba h SER 143 CO 0.01 0.09 0.61 -0.83 -0.53 0.00 0.00 176.83 176.19 2dba s GLY 144 N -4.24 2.89 0.68 5.77 0.00 0.17 -4.98 107.32 107.61 2dba s GLY 144 Ca 0.04 1.33 -0.14 0.00 0.00 0.00 0.00 44.72 45.95 2dba s GLY 144 CO 0.63 1.85 1.11 2.56 0.00 0.00 0.00 173.10 179.25 2dba s PRO 145 N -2.88 2.72 0.60 2.90 0.04 -1.26 -4.99 135.00 132.13 2dba s PRO 145 Ca 0.71 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 2dba s PRO 145 Cb -0.40 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2dba s PRO 145 CO 0.48 -1.31 1.26 -1.12 0.04 0.00 0.00 177.00 176.35 2dba s SER 146 N -2.71 5.01 -0.05 6.66 0.01 -1.26 -5.01 113.70 116.34 2dba s SER 146 Ca 0.66 2.53 -0.03 0.00 1.31 0.00 0.00 55.95 60.42 2dba s SER 146 Cb -0.20 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.38 2dba s SER 146 CO 0.44 -1.73 0.12 -0.94 0.41 0.00 0.00 173.24 171.54 2dba s SER 147 N -1.41 6.05 0.00 2.44 1.04 -1.26 -5.31 113.70 115.26 2dba s SER 147 Ca 0.78 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2dba s SER 147 Cb -0.35 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2dba s SER 147 CO 0.38 0.33 0.24 0.61 0.98 0.00 0.00 173.24 175.77