#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 2.29 -0.29 1.61 0.01 -1.26 -5.17 113.70 110.88 2dba s SER 2 Ca 0.00 -1.66 -0.23 0.00 1.31 0.00 0.00 55.95 55.37 2dba s SER 2 Cb 0.00 0.47 0.17 0.00 0.21 0.00 0.00 66.02 66.87 2dba s SER 2 CO 0.00 -0.94 1.26 -0.94 0.41 0.00 0.00 173.24 173.03 2dba s SER 3 N -3.51 -0.21 0.00 2.44 1.04 -1.26 -5.17 113.70 107.03 2dba s SER 3 Ca 0.30 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2dba s SER 3 Cb 0.03 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2dba s SER 3 CO 0.18 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2dba n GLY 4 N 2.16 3.93 3.31 7.32 0.00 -1.26 -5.18 105.19 115.48 2dba n GLY 4 Ca -0.13 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 2dba n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dba s SER 5 N 1.00 2.12 0.10 1.61 0.01 -1.26 -5.16 113.70 112.12 2dba s SER 5 Ca 0.00 -1.08 -0.25 0.00 1.31 0.00 0.00 55.95 55.93 2dba s SER 5 Cb 0.00 -0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.25 2dba s SER 5 CO 0.00 -0.32 0.64 -0.44 0.41 0.00 0.00 173.24 173.53 2dba s SER 6 N -3.27 -0.57 0.00 2.44 0.01 -1.26 -5.10 113.70 105.96 2dba s SER 6 Ca 0.22 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.62 2dba s SER 6 Cb 0.02 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2dba s SER 6 CO 0.05 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2dba n GLY 7 N -0.12 0.21 2.99 3.44 0.00 -1.26 -5.18 105.19 105.28 2dba n GLY 7 Ca -0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 2dba n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dba s MET 8 N 0.00 0.32 -0.24 1.61 1.00 -1.26 -5.16 119.30 115.57 2dba s MET 8 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 55.69 55.03 2dba s MET 8 Cb 0.00 0.12 0.08 0.00 0.00 0.00 0.00 34.83 35.03 2dba s MET 8 CO 0.00 -0.06 0.57 0.95 0.00 0.00 0.00 175.02 176.48 2dba s THR 9 N -1.35 -0.25 -0.11 2.05 -4.23 -1.26 -5.15 115.64 105.33 2dba s THR 9 Ca -0.15 0.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2dba s THR 9 Cb -0.09 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.91 2dba s THR 9 CO -0.01 0.02 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.18 2dba s VAL 10 N 1.89 2.00 -0.21 2.29 1.01 -1.26 -5.11 120.40 121.01 2dba s VAL 10 Ca -0.08 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 2dba s VAL 10 Cb -0.08 -1.74 0.14 0.00 0.00 0.00 0.00 36.38 34.70 2dba s VAL 10 CO -0.17 0.54 1.09 -0.94 0.00 0.00 0.00 175.10 175.62 2dba s SER 11 N 0.55 -0.32 -0.24 3.32 1.04 -1.26 -5.18 113.70 111.61 2dba s SER 11 Ca -0.14 0.42 -0.27 0.00 0.48 0.00 0.00 55.95 56.44 2dba s SER 11 Cb -0.17 0.36 0.12 0.00 0.10 0.00 0.00 66.02 66.43 2dba s SER 11 CO 0.05 -0.24 1.00 -0.83 0.98 0.00 0.00 173.24 174.20 2dba s GLY 12 N -0.76 -0.21 0.06 7.32 0.00 -1.26 -5.14 107.32 107.33 2dba s GLY 12 Ca 0.01 2.41 -0.31 0.00 0.00 0.00 0.00 44.72 46.84 2dba s GLY 12 CO -0.02 1.55 1.40 2.56 0.00 0.00 0.00 173.10 178.58 2dba s PRO 13 N -0.23 4.31 0.38 2.90 0.04 -1.26 -5.03 135.00 136.11 2dba s PRO 13 Ca 0.01 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.14 2dba s PRO 13 Cb -0.03 -3.40 -0.07 0.00 0.04 0.00 0.00 34.50 31.03 2dba s PRO 13 CO -0.03 -0.49 0.01 0.20 0.04 0.00 0.00 177.00 176.72 2dba s GLY 14 N 1.48 2.37 -0.16 0.56 0.00 -1.26 -5.14 107.32 105.17 2dba s GLY 14 Ca 0.64 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 43.15 2dba s GLY 14 CO 0.29 -2.03 -0.15 -1.59 0.00 0.00 0.00 173.10 169.62 2dba s THR 15 N -2.83 1.66 0.10 0.90 2.01 -1.26 -5.13 115.64 111.09 2dba s THR 15 Ca 0.35 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2dba s THR 15 Cb 0.09 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 71.08 2dba s THR 15 CO 0.17 0.46 0.09 -0.81 -0.69 0.00 0.00 174.62 173.85 2dba n PRO 16 N 4.74 -1.20 -3.24 4.92 -0.04 -1.26 -5.03 135.00 133.90 2dba n PRO 16 Ca -0.18 -0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 62.80 2dba n PRO 16 Cb 0.50 -0.14 -0.06 0.00 -0.04 0.00 0.00 33.50 33.76 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 -3.21 4.00 -0.96 0.54 -1.05 -1.26 -4.98 118.70 111.78 2dba s GLU 17 Ca 0.06 0.58 -0.24 0.00 -0.15 0.00 0.00 54.97 55.22 2dba s GLU 17 Cb -0.01 -2.66 -0.06 0.00 -0.44 0.00 0.00 34.13 30.97 2dba s GLU 17 CO 0.05 0.30 1.95 -1.25 0.95 0.00 0.00 175.26 177.25 2dba s PRO 18 N -2.57 2.54 -0.01 -4.83 0.04 -1.26 -4.95 135.00 123.96 2dba s PRO 18 Ca 0.48 -0.47 -0.21 0.00 0.04 0.00 0.00 61.00 60.84 2dba s PRO 18 Cb -0.12 -5.10 -0.05 0.00 0.04 0.00 0.00 34.50 29.26 2dba s PRO 18 CO 0.19 -3.50 0.62 0.50 0.04 0.00 0.00 177.00 174.85 2dba s ARG 19 N 6.90 4.35 0.50 4.56 3.52 -1.26 -5.05 118.95 132.47 2dba s ARG 19 Ca 0.70 0.77 -0.21 0.00 -0.13 0.00 0.00 55.73 56.86 2dba s ARG 19 Cb -0.05 -3.36 -0.07 0.00 -1.56 0.00 0.00 34.95 29.91 2dba s ARG 19 CO 0.02 0.32 1.15 -1.25 -0.81 0.00 0.00 175.30 174.73 2dba s PRO 20 N -0.06 3.56 0.09 5.12 0.04 -1.26 -5.05 135.00 137.44 2dba s PRO 20 Ca 0.32 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 2dba s PRO 20 Cb -0.18 -2.21 0.08 0.00 0.04 0.00 0.00 34.50 32.22 2dba s PRO 20 CO 0.18 -0.69 0.70 0.00 0.04 0.00 0.00 177.00 177.22 2dba s ALA 21 N -1.65 -1.68 0.22 8.56 0.00 -1.26 -5.14 121.76 120.81 2dba s ALA 21 Ca 0.68 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 53.14 2dba s ALA 21 Cb -0.26 0.64 -0.15 0.00 0.00 0.00 0.00 23.12 23.35 2dba s ALA 21 CO 0.31 -0.70 0.37 -2.37 0.00 0.00 0.00 175.76 173.36 2dba n THR 22 N -0.20 1.48 -2.22 0.00 5.66 -1.26 -4.83 114.28 112.91 2dba n THR 22 Ca -0.15 -0.44 -0.42 0.00 -3.05 0.00 0.00 64.05 59.99 2dba n THR 22 Cb 0.63 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.38 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 -0.89 4.37 0.00 1.09 0.04 -1.26 -3.62 135.00 134.73 2dba s PRO 23 Ca 0.56 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2dba s PRO 23 Cb -0.76 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2dba s PRO 23 CO 0.51 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2dba n GLY 24 N 2.80 3.34 3.45 0.56 0.00 -1.26 -5.05 105.19 109.04 2dba n GLY 24 Ca 0.08 -0.94 -0.50 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 1.09 -3.26 4.61 0.00 -1.24 -0.17 120.51 121.54 2dba n ALA 25 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 2dba n ALA 25 Cb 0.00 -2.58 0.06 0.00 0.00 0.00 0.00 19.45 16.93 2dba n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dba n SER 26 N 10.14 -5.97 -4.47 0.00 7.64 -1.26 -4.98 113.62 114.72 2dba n SER 26 Ca 0.41 -0.39 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 2dba n SER 26 Cb 0.24 -4.68 -0.12 0.00 -1.01 0.00 0.00 64.21 58.64 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 -3.04 5.21 0.34 6.43 0.01 0.76 -4.89 113.70 118.53 2dba s SER 27 Ca 0.42 -0.17 0.20 0.00 1.31 0.00 0.00 55.95 57.71 2dba s SER 27 Cb -0.19 -1.94 1.24 0.00 0.21 0.00 0.00 66.02 65.35 2dba s SER 27 CO 0.53 -0.02 1.44 0.55 0.41 0.00 0.00 173.24 176.15 2dba n VAL 28 N 4.81 -0.37 -0.14 3.43 3.14 -1.26 0.21 118.33 128.14 2dba n VAL 28 Ca -0.16 1.83 -0.12 0.00 -2.96 0.00 0.00 64.34 62.94 2dba n VAL 28 Cb 0.52 -2.98 -0.01 0.00 -1.06 0.00 0.00 33.84 30.30 2dba n VAL 28 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2dba h GLU 29 N 0.00 0.86 0.00 1.45 4.57 -1.93 -2.83 114.58 116.71 2dba h GLU 29 Ca 0.78 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2dba h GLU 29 Cb 2.09 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.66 2dba h GLU 29 CO -0.68 1.01 -0.12 0.37 -1.18 0.00 0.00 179.01 178.41 2dba h GLN 30 N 0.69 0.00 -1.48 1.92 5.75 0.22 -3.36 115.11 118.85 2dba h GLN 30 Ca 0.10 0.00 0.43 0.00 -0.15 0.00 0.00 58.65 59.03 2dba h GLN 30 Cb 0.74 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.23 2dba h GLN 30 CO 0.06 0.00 1.29 1.47 -2.65 0.00 0.00 178.83 179.00 2dba n LEU 31 N -3.12 0.00 -0.33 -2.39 -0.00 0.35 -0.93 117.00 110.57 2dba n LEU 31 Ca -0.02 0.85 0.06 0.00 -0.00 0.00 0.00 56.01 56.91 2dba n LEU 31 Cb 0.06 -0.37 0.14 0.00 -0.00 0.00 0.00 43.42 43.25 2dba n LEU 31 CO 0.03 -0.85 0.61 -1.14 -0.00 0.00 0.00 177.39 176.03 2dba n ARG 32 N -3.53 -0.08 -0.12 1.47 0.63 -1.07 0.91 116.66 114.87 2dba n ARG 32 Ca 0.33 1.43 -0.05 0.00 -0.92 0.00 0.00 57.85 58.65 2dba n ARG 32 Cb 1.74 -2.14 0.03 0.00 0.45 0.00 0.00 32.46 32.54 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 0.18 -1.30 -0.14 1.79 -1.30 -1.39 116.57 114.41 2dba h LYS 33 Ca 0.45 -0.01 0.45 0.00 -2.18 0.00 0.00 60.65 59.36 2dba h LYS 33 Cb 0.70 -0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.17 2dba h LYS 33 CO -0.94 0.12 0.83 -1.91 -1.08 0.00 0.00 179.45 176.47 2dba n GLU 34 N -5.12 -0.04 0.12 3.15 4.07 0.26 0.17 120.64 123.26 2dba n GLU 34 Ca 0.03 1.20 -0.06 0.00 -0.06 0.00 0.00 57.16 58.27 2dba n GLU 34 Cb 0.19 -2.36 -0.03 0.00 -0.06 0.00 0.00 31.44 29.18 2dba n GLU 34 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2dba h GLY 35 N 0.00 -0.40 0.65 8.31 0.00 -1.23 -3.24 103.07 107.16 2dba h GLY 35 Ca 0.84 0.15 0.02 0.00 0.00 0.00 0.00 47.33 48.34 2dba h GLY 35 CO -0.46 -0.15 -0.17 3.43 0.00 0.00 0.00 176.54 179.20 2dba h ASN 36 N -1.06 -0.48 -1.40 0.19 2.35 -0.92 -1.50 115.58 112.77 2dba h ASN 36 Ca -0.04 0.06 0.44 0.00 -0.55 0.00 0.00 56.30 56.21 2dba h ASN 36 Cb 0.30 0.19 -0.11 0.00 0.05 0.00 0.00 38.32 38.75 2dba h ASN 36 CO 0.07 -0.23 0.93 -0.33 -1.65 0.00 0.00 177.43 176.21 2dba h GLU 37 N -0.30 0.08 0.00 0.81 5.08 -0.43 1.87 114.58 121.69 2dba h GLU 37 Ca 0.04 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 2dba h GLU 37 Cb 0.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2dba h GLU 37 CO -0.13 0.05 -1.03 -0.07 -1.00 0.00 0.00 179.01 176.84 2dba h LEU 38 N 0.08 0.00 -0.23 1.33 3.38 -1.32 -3.33 115.31 115.23 2dba h LEU 38 Ca 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.74 2dba h LEU 38 Cb 2.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.42 2dba h LEU 38 CO -0.31 0.88 -0.01 0.15 0.09 0.00 0.00 178.44 179.23 2dba h PHE 39 N 0.00 0.45 0.00 1.13 3.57 0.36 -1.14 116.94 121.31 2dba h PHE 39 Ca -0.06 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2dba h PHE 39 Cb 1.72 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.35 2dba h PHE 39 CO 0.00 0.61 0.00 0.36 -2.23 0.00 0.00 178.31 177.05 2dba n LYS 40 N -4.64 0.04 -0.04 1.11 2.85 -0.47 -1.06 118.16 115.96 2dba n LYS 40 Ca -0.04 0.31 0.03 0.00 -1.05 0.00 0.00 58.31 57.56 2dba n LYS 40 Cb 0.25 -1.50 -0.15 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 1.56 1.15 3.40 0.00 0.00 -0.22 -5.06 105.19 106.02 2dba n GLY 42 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 6.55 0.10 1.61 1.01 -0.48 -4.85 116.67 118.61 2dba s ASP 43 Ca 0.00 -2.06 -0.05 0.00 0.71 0.00 0.00 52.55 51.14 2dba s ASP 43 Cb 0.00 -2.32 -0.19 0.00 1.01 0.00 0.00 42.92 41.42 2dba s ASP 43 CO 0.00 -0.94 1.22 1.88 0.21 0.00 0.00 175.17 177.54 2dba h TYR 44 N 8.62 0.60 -0.62 4.23 0.05 -1.93 -2.05 116.97 125.87 2dba h TYR 44 Ca 0.02 -0.38 0.02 0.00 0.05 0.00 0.00 58.73 58.44 2dba h TYR 44 Cb 1.05 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 2dba h TYR 44 CO 1.04 1.24 0.41 0.78 -1.05 0.00 0.00 178.16 180.58 2dba h GLY 45 N 1.28 0.85 0.00 3.88 0.00 -1.93 -2.64 103.07 104.52 2dba h GLY 45 Ca -0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 2dba h GLY 45 CO 0.19 0.29 -0.60 -1.33 0.00 0.00 0.00 176.54 175.09 2dba h GLY 46 N 0.79 0.00 -0.97 4.60 0.00 -1.96 -3.30 103.07 102.23 2dba h GLY 46 Ca 0.24 0.00 0.37 0.00 0.00 0.00 0.00 47.33 47.93 2dba h GLY 46 CO -0.06 0.00 0.38 0.00 0.00 0.00 0.00 176.54 176.86 2dba n ALA 47 N -3.46 0.86 -0.15 3.60 0.00 -0.77 0.15 120.51 120.73 2dba n ALA 47 Ca -0.12 1.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.22 2dba n ALA 47 Cb 0.33 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 0.74 -0.65 0.00 7.12 -1.65 -2.99 115.31 117.88 2dba h LEU 48 Ca 0.76 -0.30 0.12 0.00 0.13 0.00 0.00 57.88 58.59 2dba h LEU 48 Cb 1.91 -0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 41.75 2dba h LEU 48 CO -0.79 0.85 0.21 0.00 -0.13 0.00 0.00 178.44 178.59 2dba h ALA 49 N 0.91 0.84 0.01 1.25 0.00 0.13 -1.82 119.26 120.58 2dba h ALA 49 Ca 0.13 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dba h ALA 49 Cb 0.46 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dba h ALA 49 CO 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 179.25 178.97 2dba h ALA 50 N 1.48 -0.08 -0.99 0.00 0.00 -1.32 -2.41 119.26 115.94 2dba h ALA 50 Ca 0.34 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.41 2dba h ALA 50 Cb 0.49 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2dba h ALA 50 CO -0.37 -0.56 0.60 1.88 0.00 0.00 0.00 179.25 180.80 2dba h TYR 51 N -0.12 1.08 0.28 0.00 0.05 -1.23 -2.38 116.97 114.65 2dba h TYR 51 Ca 0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2dba h TYR 51 Cb 0.15 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 2dba h TYR 51 CO -0.13 0.34 -0.49 1.15 -1.05 0.00 0.00 178.16 177.98 2dba h THR 52 N 0.86 0.05 -0.20 -2.88 2.02 -0.85 -1.75 112.91 110.17 2dba h THR 52 Ca 0.53 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.75 2dba h THR 52 Cb 0.67 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 2dba h THR 52 CO -0.32 0.00 -0.46 1.56 0.37 0.00 0.00 175.52 176.67 2dba h GLN 53 N -0.84 -0.46 -0.68 6.66 4.20 -1.30 -0.82 115.11 121.87 2dba h GLN 53 Ca -0.02 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.83 2dba h GLN 53 Cb 0.79 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.55 2dba h GLN 53 CO -0.18 -0.31 -0.39 0.00 -0.67 0.00 0.00 178.83 177.28 2dba h ALA 54 N 0.06 -0.13 -0.33 3.87 0.00 -1.29 0.68 119.26 122.12 2dba h ALA 54 Ca 0.08 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2dba h ALA 54 Cb 0.63 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2dba h ALA 54 CO -0.45 -0.73 0.23 -0.07 0.00 0.00 0.00 179.25 178.22 2dba h LEU 55 N -0.15 0.09 -2.58 0.00 3.38 -0.60 -1.63 115.31 113.82 2dba h LEU 55 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2dba h LEU 55 Cb 0.56 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2dba h LEU 55 CO -0.75 0.06 0.10 0.61 0.09 0.00 0.00 178.44 178.54 2dba n GLY 56 N -1.57 2.56 2.94 0.83 0.00 0.24 -4.80 105.19 105.39 2dba n GLY 56 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2dba n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dba s LEU 57 N -0.46 2.15 -0.78 0.99 1.43 -0.61 -5.00 118.68 116.40 2dba s LEU 57 Ca 0.08 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.58 2dba s LEU 57 Cb 0.06 0.06 -0.27 0.00 0.03 0.00 0.00 46.19 46.08 2dba s LEU 57 CO 0.01 -0.19 1.96 0.47 0.23 0.00 0.00 176.35 178.82 2dba n ASP 58 N 2.13 1.34 -4.72 2.29 8.00 -1.26 -4.86 116.55 119.47 2dba n ASP 58 Ca -0.20 -2.51 -0.24 0.00 0.71 0.00 0.00 54.79 52.55 2dba n ASP 58 Cb 0.57 -1.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.23 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dba s ALA 59 N 14.01 3.33 0.95 2.24 0.00 -1.26 -5.10 121.76 135.92 2dba s ALA 59 Ca 0.77 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.16 2dba s ALA 59 Cb 0.01 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 22.12 2dba s ALA 59 CO 0.23 0.36 0.44 0.25 0.00 0.00 0.00 175.76 177.05 2dba n THR 60 N -0.64 0.03 0.15 0.00 -2.24 -1.26 -4.76 114.28 105.56 2dba n THR 60 Ca -0.08 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2dba n THR 60 Cb 0.57 -0.64 0.26 0.00 -2.10 0.00 0.00 70.33 68.42 2dba n THR 60 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2dba h PRO 61 N -1.56 0.03 0.00 -0.78 0.13 -2.00 -2.38 132.00 125.44 2dba h PRO 61 Ca -0.43 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2dba h PRO 61 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2dba h PRO 61 CO 0.35 0.51 -0.30 0.37 -0.23 0.00 0.00 178.00 178.70 2dba h GLN 62 N 0.03 0.00 0.18 0.86 4.15 -1.97 -3.11 115.11 115.24 2dba h GLN 62 Ca -0.00 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 2dba h GLN 62 Cb 0.87 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.58 2dba h GLN 62 CO 0.06 0.30 -1.46 -0.44 -1.93 0.00 0.00 178.83 175.36 2dba h ASP 63 N 0.00 0.60 -0.76 -0.69 5.19 -1.85 -3.25 116.42 115.66 2dba h ASP 63 Ca -0.00 -0.92 0.09 0.00 -0.62 0.00 0.00 57.03 55.58 2dba h ASP 63 Cb 0.92 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.17 2dba h ASP 63 CO 0.04 1.67 0.41 1.56 -3.12 0.00 0.00 179.24 179.80 2dba h GLN 64 N -0.05 0.68 -0.41 3.56 4.20 -1.44 -1.91 115.11 119.73 2dba h GLN 64 Ca -0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 2dba h GLN 64 Cb 1.97 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 2dba h GLN 64 CO 0.17 0.45 0.21 0.00 -0.67 0.00 0.00 178.83 178.99 2dba h ALA 65 N 1.43 0.53 -0.23 3.87 0.00 -1.67 -1.79 119.26 121.40 2dba h ALA 65 Ca 0.37 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2dba h ALA 65 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2dba h ALA 65 CO -0.25 0.08 0.21 0.28 0.00 0.00 0.00 179.25 179.57 2dba h VAL 66 N 0.53 0.59 0.15 0.00 2.07 -1.39 -1.69 116.25 116.50 2dba h VAL 66 Ca 0.14 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.44 2dba h VAL 66 Cb 0.10 0.84 0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2dba h VAL 66 CO -0.02 0.00 -1.00 -0.07 0.02 0.00 0.00 177.57 176.50 2dba h LEU 67 N 0.00 0.50 -0.34 2.57 3.38 -0.95 -3.23 115.31 117.24 2dba h LEU 67 Ca 0.11 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 57.21 2dba h LEU 67 Cb 0.53 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2dba h LEU 67 CO -0.00 1.47 -0.03 0.45 0.09 0.00 0.00 178.44 180.42 2dba h HIS 68 N -0.30 -0.07 0.00 1.13 3.86 -0.51 0.69 115.15 119.95 2dba h HIS 68 Ca -0.18 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2dba h HIS 68 Cb 1.73 0.08 -0.00 0.00 1.06 0.00 0.00 27.41 30.28 2dba h HIS 68 CO 0.18 -0.09 -0.01 0.07 0.86 0.00 0.00 177.93 178.93 2dba h ARG 69 N 0.06 0.00 0.04 2.45 0.11 -1.53 -2.71 114.38 112.81 2dba h ARG 69 Ca 0.16 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.24 2dba h ARG 69 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2dba h ARG 69 CO -0.30 0.01 -0.02 -0.91 0.10 0.00 0.00 179.97 178.86 2dba h ASN 70 N 0.00 -0.05 -0.84 0.08 2.35 -0.96 -3.31 115.58 112.85 2dba h ASN 70 Ca -0.00 -0.63 0.21 0.00 -0.55 0.00 0.00 56.30 55.33 2dba h ASN 70 Cb 0.03 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.28 2dba h ASN 70 CO 0.00 0.68 0.22 0.03 -1.65 0.00 0.00 177.43 176.72 2dba h ARG 71 N -0.86 0.23 -0.62 0.81 3.08 -0.76 -1.42 114.38 114.84 2dba h ARG 71 Ca -0.01 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.11 2dba h ARG 71 Cb 0.68 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.57 2dba h ARG 71 CO 0.01 0.15 -0.52 0.00 -1.07 0.00 0.00 179.97 178.54 2dba h ALA 72 N 1.72 -0.55 -1.00 0.04 0.00 -1.60 -1.47 119.26 116.41 2dba h ALA 72 Ca 0.51 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.59 2dba h ALA 72 Cb 0.97 1.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.77 2dba h ALA 72 CO -0.61 -0.95 -0.56 0.00 0.00 0.00 0.00 179.25 177.14 2dba h ALA 73 N 0.35 -0.45 -0.69 0.00 0.00 -1.38 0.15 119.26 117.24 2dba h ALA 73 Ca 0.14 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.31 2dba h ALA 73 Cb 0.54 1.33 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 2dba h ALA 73 CO -0.72 -0.92 -0.33 0.00 0.00 0.00 0.00 179.25 177.27 2dba h HIS 75 N -0.12 -1.14 -0.92 0.00 3.86 -0.48 -2.27 115.15 114.09 2dba h HIS 75 Ca 0.27 0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.66 2dba h HIS 75 Cb 0.56 0.45 -0.17 0.00 1.06 0.00 0.00 27.41 29.31 2dba h HIS 75 CO -0.68 -0.57 -0.26 1.28 0.86 0.00 0.00 177.93 178.56 2dba n LEU 76 N -5.50 -0.39 -0.03 2.43 4.77 -0.27 0.23 117.00 118.24 2dba n LEU 76 Ca -0.10 1.58 0.02 0.00 -0.03 0.00 0.00 56.01 57.48 2dba n LEU 76 Cb 0.40 -0.45 0.35 0.00 -2.33 0.00 0.00 43.42 41.39 2dba n LEU 76 CO 0.27 -1.50 1.08 0.11 -1.33 0.00 0.00 177.39 176.02 2dba h LYS 77 N 0.00 0.59 -1.29 3.23 1.79 -1.04 -2.34 116.57 117.52 2dba h LYS 77 Ca 0.41 -0.07 -0.50 0.00 -2.18 0.00 0.00 60.65 58.31 2dba h LYS 77 Cb 0.64 -0.12 -0.21 0.00 -1.58 0.00 0.00 32.23 30.96 2dba h LYS 77 CO -0.94 0.48 0.65 1.28 -1.08 0.00 0.00 179.45 179.84 2dba n LEU 78 N -4.39 7.09 -2.91 2.94 4.77 0.64 -4.84 117.00 120.31 2dba n LEU 78 Ca 0.03 -3.82 -0.10 0.00 -0.03 0.00 0.00 56.01 52.10 2dba n LEU 78 Cb 0.13 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 2dba n LEU 78 CO 0.37 1.36 -0.04 -0.62 -1.33 0.00 0.00 177.39 177.13 2dba n GLU 79 N -0.27 -2.39 -1.37 3.23 1.02 -0.88 -4.75 120.64 115.23 2dba n GLU 79 Ca 0.47 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 57.29 2dba n GLU 79 Cb 0.61 -4.38 0.08 0.00 -0.02 0.00 0.00 31.44 27.73 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dba n ASP 80 N -1.66 7.60 -0.16 1.62 8.00 0.06 -4.71 116.55 127.29 2dba n ASP 80 Ca 0.03 -3.79 -0.02 0.00 0.71 0.00 0.00 54.79 51.71 2dba n ASP 80 Cb 0.47 -0.96 0.05 0.00 -0.02 0.00 0.00 41.12 40.66 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 81 N 2.03 -0.20 -0.70 1.24 0.05 -1.85 -1.36 116.97 116.19 2dba h TYR 81 Ca 0.60 0.04 0.08 0.00 0.05 0.00 0.00 58.73 59.50 2dba h TYR 81 Cb 0.82 0.17 -0.10 0.00 1.01 0.00 0.00 36.73 38.63 2dba h TYR 81 CO 1.41 -0.19 -0.35 -0.25 -1.05 0.00 0.00 178.16 177.72 2dba n ASP 82 N -5.33 -0.62 0.05 3.88 8.00 -1.26 -0.70 116.55 120.57 2dba n ASP 82 Ca 0.05 1.23 -0.11 0.00 0.71 0.00 0.00 54.79 56.67 2dba n ASP 82 Cb 0.28 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.20 -0.38 -1.24 1.57 -1.81 -3.30 116.57 111.21 2dba h LYS 83 Ca 0.17 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2dba h LYS 83 Cb 0.34 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 2dba h LYS 83 CO -0.67 0.23 -0.23 0.00 -0.57 0.00 0.00 179.45 178.21 2dba n ALA 84 N -2.55 -0.25 -0.37 3.86 0.00 -0.11 0.15 120.51 121.25 2dba n ALA 84 Ca -0.08 0.33 0.30 0.00 0.00 0.00 0.00 53.44 53.99 2dba n ALA 84 Cb 0.27 0.17 0.56 0.00 0.00 0.00 0.00 19.45 20.45 2dba n ALA 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dba h GLU 85 N 0.00 0.16 0.04 0.00 4.81 -1.05 1.17 114.58 119.72 2dba h GLU 85 Ca 0.06 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 2dba h GLU 85 Cb 0.16 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2dba h GLU 85 CO -0.36 0.11 -1.00 1.15 -0.73 0.00 0.00 179.01 178.18 2dba h THR 86 N 0.17 1.53 -0.07 0.32 2.02 0.12 -1.60 112.91 115.40 2dba h THR 86 Ca 0.79 -2.86 -0.10 0.00 0.77 0.00 0.00 66.41 65.01 2dba h THR 86 Cb 2.11 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 71.16 2dba h THR 86 CO -0.57 0.83 -0.42 -0.33 0.37 0.00 0.00 175.52 175.40 2dba h GLU 87 N 0.09 0.16 0.06 6.66 4.39 0.61 -2.01 114.58 124.54 2dba h GLU 87 Ca -0.06 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.39 2dba h GLU 87 Cb 1.68 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 2dba h GLU 87 CO 0.15 0.55 -0.89 0.00 -1.16 0.00 0.00 179.01 177.67 2dba h ALA 88 N 1.44 0.10 0.00 3.43 0.00 -0.84 -3.00 119.26 120.39 2dba h ALA 88 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2dba h ALA 88 Cb 0.80 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dba h ALA 88 CO 0.06 0.49 0.00 1.03 0.00 0.00 0.00 179.25 180.83 2dba h SER 89 N -0.66 0.00 0.48 0.00 0.87 -1.32 -1.25 113.55 111.67 2dba h SER 89 Ca -0.20 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.14 2dba h SER 89 Cb 1.43 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.35 2dba h SER 89 CO -0.00 0.00 -1.70 2.29 -0.53 0.00 0.00 176.83 176.89 2dba n LYS 90 N -2.53 0.64 0.00 2.24 2.85 -0.76 -3.88 118.16 116.72 2dba n LYS 90 Ca -0.01 0.16 0.13 0.00 -1.05 0.00 0.00 58.31 57.55 2dba n LYS 90 Cb 0.12 -1.73 0.50 0.00 -0.65 0.00 0.00 35.03 33.27 2dba n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dba n ALA 91 N -2.48 2.73 -0.05 0.58 0.00 -0.52 -3.79 120.51 116.97 2dba n ALA 91 Ca -0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 2dba n ALA 91 Cb 0.92 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 2dba n ALA 91 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dba h ILE 92 N 0.01 0.00 -1.28 0.00 2.04 -1.55 -3.35 117.51 113.38 2dba h ILE 92 Ca 0.00 -0.82 0.38 0.00 1.00 0.00 0.00 64.86 65.42 2dba h ILE 92 Cb 0.50 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 2dba h ILE 92 CO 0.00 0.00 0.87 1.05 0.00 0.00 0.00 178.15 180.07 2dba h GLU 93 N -0.82 0.13 0.42 2.37 4.11 -1.72 0.43 114.58 119.51 2dba h GLU 93 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2dba h GLU 93 Cb 0.23 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2dba h GLU 93 CO 0.00 0.09 -0.40 0.87 0.07 0.00 0.00 179.01 179.63 2dba h LYS 94 N 0.14 -0.81 0.00 1.06 1.79 -1.71 -3.39 116.57 113.65 2dba h LYS 94 Ca 0.69 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.22 2dba h LYS 94 Cb 2.32 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 33.16 2dba h LYS 94 CO -0.21 -0.54 -0.14 -3.47 -1.08 0.00 0.00 179.45 174.01 2dba n ASP 95 N -5.50 0.34 0.00 0.86 -0.08 -0.04 -5.04 116.55 107.09 2dba n ASP 95 Ca -0.11 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2dba n ASP 95 Cb 0.40 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.31 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dba n GLY 96 N 1.60 3.20 2.32 0.27 0.00 0.13 -4.91 105.19 107.79 2dba n GLY 96 Ca -0.02 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 5.73 2.58 -0.02 0.00 -1.26 -4.72 105.19 107.50 2dba n GLY 97 Ca 0.00 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 2dba n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dba n ASP 98 N -0.81 4.47 0.23 1.61 5.68 -1.26 -4.87 116.55 121.60 2dba n ASP 98 Ca 0.60 -3.46 0.17 0.00 -0.50 0.00 0.00 54.79 51.60 2dba n ASP 98 Cb 0.64 -0.81 0.76 0.00 -1.14 0.00 0.00 41.12 40.58 2dba n ASP 98 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 2dba h VAL 99 N 3.20 0.16 -0.84 2.12 -1.51 -1.94 -0.67 116.25 116.76 2dba h VAL 99 Ca 0.20 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.78 2dba h VAL 99 Cb 0.63 0.64 -0.08 0.00 -2.13 0.00 0.00 31.29 30.35 2dba h VAL 99 CO 0.96 0.00 0.48 0.11 -1.23 0.00 0.00 177.57 177.88 2dba h LYS 100 N 0.00 0.75 0.00 5.19 1.79 -2.00 -0.50 116.57 121.80 2dba h LYS 100 Ca 0.09 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.37 2dba h LYS 100 Cb 0.89 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 2dba h LYS 100 CO -0.00 0.49 -0.70 0.00 -1.08 0.00 0.00 179.45 178.17 2dba h ALA 101 N 1.49 0.64 -0.11 3.86 0.00 -1.49 -3.27 119.26 120.37 2dba h ALA 101 Ca 0.42 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2dba h ALA 101 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dba h ALA 101 CO -0.28 0.87 0.06 -0.07 0.00 0.00 0.00 179.25 179.83 2dba h LEU 102 N 0.00 0.15 -2.50 0.00 3.38 -1.11 -0.55 115.31 114.68 2dba h LEU 102 Ca -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2dba h LEU 102 Cb 1.42 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2dba h LEU 102 CO 0.09 0.22 -0.01 0.22 0.09 0.00 0.00 178.44 179.05 2dba h TYR 103 N 0.07 0.00 0.04 1.13 3.20 -1.41 -2.64 116.97 117.36 2dba h TYR 103 Ca 0.04 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 2dba h TYR 103 Cb 0.11 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2dba h TYR 103 CO -0.03 0.01 -0.58 0.00 -1.64 0.00 0.00 178.16 175.92 2dba h ARG 104 N 0.00 0.09 -0.71 1.82 2.47 -1.43 -3.31 114.38 113.32 2dba h ARG 104 Ca -0.00 -0.16 0.11 0.00 -1.26 0.00 0.00 59.98 58.67 2dba h ARG 104 Cb 0.15 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.45 2dba h ARG 104 CO 0.00 1.07 0.32 -0.09 0.56 0.00 0.00 179.97 181.84 2dba h ARG 105 N -0.79 0.51 -0.58 0.04 2.43 -0.79 -1.59 114.38 113.63 2dba h ARG 105 Ca -0.13 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.10 2dba h ARG 105 Cb 1.28 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 2dba h ARG 105 CO -0.00 0.34 0.19 0.66 -1.51 0.00 0.00 179.97 179.65 2dba h SER 106 N 0.53 0.17 -1.08 -3.80 4.64 -1.62 0.95 113.55 113.34 2dba h SER 106 Ca 0.36 0.08 0.33 0.00 -0.47 0.00 0.00 61.79 62.10 2dba h SER 106 Cb 0.44 0.07 -0.13 0.00 -0.31 0.00 0.00 62.40 62.47 2dba h SER 106 CO -0.31 0.11 0.65 1.56 -0.87 0.00 0.00 176.83 177.97 2dba h GLN 107 N 0.36 0.29 0.07 4.77 1.08 -1.37 -0.75 115.11 119.57 2dba h GLN 107 Ca 0.29 -0.02 -0.24 0.00 -1.45 0.00 0.00 58.65 57.23 2dba h GLN 107 Cb 0.36 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2dba h GLN 107 CO -0.31 0.19 -1.28 0.00 -0.95 0.00 0.00 178.83 176.48 2dba h ALA 108 N 1.75 0.21 -0.90 3.87 0.00 -1.19 -3.32 119.26 119.68 2dba h ALA 108 Ca 0.72 -1.09 0.11 0.00 0.00 0.00 0.00 54.91 54.65 2dba h ALA 108 Cb 1.82 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 20.01 2dba h ALA 108 CO -0.50 0.75 -0.49 -0.07 0.00 0.00 0.00 179.25 178.94 2dba h LEU 109 N -0.53 -1.77 -0.74 0.00 3.38 0.56 0.41 115.31 116.62 2dba h LEU 109 Ca -0.30 0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2dba h LEU 109 Cb 1.58 0.83 -0.06 0.00 0.09 0.00 0.00 40.66 43.10 2dba h LEU 109 CO -0.02 -0.28 0.42 -0.33 0.09 0.00 0.00 178.44 178.32 2dba h GLU 110 N -0.06 0.72 -0.66 1.13 4.39 -1.35 0.87 114.58 119.62 2dba h GLU 110 Ca 0.23 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.99 2dba h GLU 110 Cb 0.51 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.92 2dba h GLU 110 CO -0.90 0.48 0.25 -0.22 -1.16 0.00 0.00 179.01 177.46 2dba h LYS 111 N 0.74 0.42 -0.91 2.33 3.11 -0.34 0.30 116.57 122.23 2dba h LYS 111 Ca 0.34 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 2dba h LYS 111 Cb 0.25 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2dba h LYS 111 CO -0.21 0.28 0.00 1.28 -2.81 0.00 0.00 179.45 177.99 2dba n LEU 112 N -4.99 1.57 0.00 5.20 4.77 -0.42 -4.80 117.00 118.33 2dba n LEU 112 Ca 0.11 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2dba n LEU 112 Cb 0.32 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2dba n LEU 112 CO 0.21 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2dba n GLY 113 N 0.11 0.42 2.80 -0.72 0.00 0.11 -4.91 105.19 102.99 2dba n GLY 113 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.77 2.90 0.09 1.61 5.12 0.29 -4.60 116.66 120.30 2dba n ARG 114 Ca 0.00 -2.68 -0.01 0.00 -1.93 0.00 0.00 57.85 53.22 2dba n ARG 114 Cb 0.12 -3.29 -0.05 0.00 -1.16 0.00 0.00 32.46 28.08 2dba n ARG 114 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2dba h LEU 115 N 10.14 0.00 -0.47 0.55 3.38 -1.85 -2.56 115.31 124.50 2dba h LEU 115 Ca 0.55 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.40 2dba h LEU 115 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2dba h LEU 115 CO 1.85 0.69 -0.18 -0.78 0.09 0.00 0.00 178.44 180.11 2dba h ASP 116 N 0.00 0.97 0.06 -0.43 1.82 -1.96 -3.12 116.42 113.77 2dba h ASP 116 Ca -0.05 -0.39 -0.11 0.00 -0.39 0.00 0.00 57.03 56.09 2dba h ASP 116 Cb 1.57 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 41.33 2dba h ASP 116 CO 0.08 1.14 -0.48 1.56 -1.61 0.00 0.00 179.24 179.93 2dba h GLN 117 N 0.80 0.22 -1.08 0.28 7.50 -1.95 -3.29 115.11 117.58 2dba h GLN 117 Ca 0.11 -0.32 0.37 0.00 0.50 0.00 0.00 58.65 59.31 2dba h GLN 117 Cb 0.75 0.11 -0.15 0.00 0.05 0.00 0.00 27.48 28.24 2dba h GLN 117 CO 0.06 1.10 0.64 0.00 -1.50 0.00 0.00 178.83 179.13 2dba h ALA 118 N 0.13 2.21 0.33 3.87 0.00 -1.51 0.15 119.26 124.44 2dba h ALA 118 Ca -0.08 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2dba h ALA 118 Cb 1.32 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2dba h ALA 118 CO 0.09 -0.86 -0.16 0.28 0.00 0.00 0.00 179.25 178.60 2dba h VAL 119 N 0.19 0.67 0.66 0.00 2.07 -1.62 -2.18 116.25 116.05 2dba h VAL 119 Ca 0.78 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 2dba h VAL 119 Cb 2.02 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 2dba h VAL 119 CO -0.59 0.10 -0.48 -0.07 0.02 0.00 0.00 177.57 176.55 2dba h LEU 120 N -0.74 -1.26 -1.56 2.57 3.38 -0.88 0.45 115.31 117.27 2dba h LEU 120 Ca -0.05 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.31 2dba h LEU 120 Cb 0.50 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 2dba h LEU 120 CO 0.07 -0.70 0.74 0.44 0.09 0.00 0.00 178.44 179.08 2dba h ASP 121 N -1.10 0.29 0.36 -0.43 5.19 -1.05 0.28 116.42 119.96 2dba h ASP 121 Ca -0.08 0.06 -0.30 0.00 -0.62 0.00 0.00 57.03 56.09 2dba h ASP 121 Cb 0.91 0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.46 2dba h ASP 121 CO 0.04 0.04 -1.31 -0.07 -3.12 0.00 0.00 179.24 174.81 2dba h LEU 122 N 0.25 0.69 -1.58 1.55 3.38 -0.69 -3.20 115.31 115.71 2dba h LEU 122 Ca 0.60 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2dba h LEU 122 Cb 1.82 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2dba h LEU 122 CO -0.22 1.54 0.13 1.56 0.09 0.00 0.00 178.44 181.54 2dba h GLN 123 N 0.16 0.00 0.00 1.13 4.20 0.36 0.27 115.11 121.23 2dba h GLN 123 Ca -0.19 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.36 2dba h GLN 123 Cb 2.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.76 2dba h GLN 123 CO 0.24 0.00 -1.33 0.00 -0.67 0.00 0.00 178.83 177.07 2dba h ARG 124 N 0.00 0.00 -0.24 1.46 3.08 -1.47 -3.34 114.38 113.87 2dba h ARG 124 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2dba h ARG 124 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2dba h ARG 124 CO 0.00 0.32 -0.30 0.00 -1.07 0.00 0.00 179.97 178.92 2dba h VAL 126 N 0.42 1.29 0.37 0.00 2.07 -1.67 -2.22 116.25 116.52 2dba h VAL 126 Ca 0.05 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2dba h VAL 126 Cb 0.73 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2dba h VAL 126 CO 0.06 0.45 -0.18 -1.28 0.02 0.00 0.00 177.57 176.64 2dba h SER 127 N 0.35 -0.43 -0.67 0.57 0.87 -1.63 -1.54 113.55 111.08 2dba h SER 127 Ca 0.04 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.73 2dba h SER 127 Cb 0.80 0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.79 2dba h SER 127 CO 0.06 -0.28 0.24 -0.07 -0.53 0.00 0.00 176.83 176.25 2dba h LEU 128 N -0.55 0.21 -7.26 2.23 4.07 -1.62 -3.26 115.31 109.14 2dba h LEU 128 Ca -0.05 0.10 -0.64 0.00 0.08 0.00 0.00 57.88 57.36 2dba h LEU 128 Cb 0.39 0.09 -0.40 0.00 1.08 0.00 0.00 40.66 41.81 2dba h LEU 128 CO 0.08 0.10 -0.53 -1.61 -1.08 0.00 0.00 178.44 175.41 2dba s GLU 129 N -6.07 2.37 0.00 1.13 0.41 -0.83 -4.91 118.70 110.80 2dba s GLU 129 Ca -0.13 -3.00 0.15 0.00 -0.41 0.00 0.00 54.97 51.58 2dba s GLU 129 Cb 0.19 -3.46 0.77 0.00 -1.78 0.00 0.00 34.13 29.84 2dba s GLU 129 CO 0.75 -1.21 1.40 -0.35 -0.49 0.00 0.00 175.26 175.37 2dba n PRO 130 N 2.56 0.24 -0.12 0.39 -0.04 -0.58 -3.30 135.00 134.16 2dba n PRO 130 Ca 0.13 0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 2dba n PRO 130 Cb 0.34 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.25 0.52 -1.66 0.54 4.76 -1.26 -4.97 118.16 114.84 2dba n LYS 131 Ca 0.08 0.23 -0.63 0.00 -2.87 0.00 0.00 58.31 55.11 2dba n LYS 131 Cb 0.11 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 2dba n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dba n ASN 132 N -4.18 0.94 0.03 4.39 4.13 -1.21 -4.86 115.26 114.50 2dba n ASN 132 Ca -0.42 1.17 -0.22 0.00 1.68 0.00 0.00 54.58 56.79 2dba n ASN 132 Cb 0.78 -0.93 -0.14 0.00 -1.54 0.00 0.00 39.78 37.94 2dba n ASN 132 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2dba h LYS 133 N 4.52 0.28 -1.18 3.52 6.56 -1.93 -3.35 116.57 124.99 2dba h LYS 133 Ca -0.47 -0.49 0.38 0.00 -1.06 0.00 0.00 60.65 59.02 2dba h LYS 133 Cb 1.38 0.18 -0.09 0.00 -0.57 0.00 0.00 32.23 33.14 2dba h LYS 133 CO 0.86 1.23 0.79 0.28 -2.06 0.00 0.00 179.45 180.56 2dba n VAL 134 N -3.84 -0.13 0.03 0.50 0.31 -1.26 0.23 118.33 114.18 2dba n VAL 134 Ca -0.25 1.27 -0.19 0.00 -0.01 0.00 0.00 64.34 65.16 2dba n VAL 134 Cb 0.95 -2.09 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 2dba n VAL 134 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2dba h PHE 135 N 0.00 0.49 -0.09 3.52 0.04 -1.95 -2.39 116.94 116.55 2dba h PHE 135 Ca 0.67 -0.35 0.03 0.00 2.80 0.00 0.00 57.97 61.12 2dba h PHE 135 Cb 2.36 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 40.48 2dba h PHE 135 CO -0.00 1.25 0.13 1.96 -0.60 0.00 0.00 178.31 181.05 2dba h GLN 136 N -0.41 0.00 0.00 1.51 4.20 0.28 -2.54 115.11 118.16 2dba h GLN 136 Ca -0.12 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 2dba h GLN 136 Cb 1.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 2dba h GLN 136 CO 0.13 0.00 -0.71 0.93 -0.67 0.00 0.00 178.83 178.52 2dba h GLU 137 N 0.00 0.00 -1.41 1.46 4.39 -1.24 -2.84 114.58 114.94 2dba h GLU 137 Ca 0.04 0.00 0.42 0.00 0.34 0.00 0.00 59.36 60.16 2dba h GLU 137 Cb 0.30 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.86 2dba h GLU 137 CO -0.00 0.55 0.97 0.00 -1.16 0.00 0.00 179.01 179.37 2dba h ALA 138 N -0.66 3.05 0.11 3.43 0.00 -1.15 0.70 119.26 124.74 2dba h ALA 138 Ca -0.15 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 2dba h ALA 138 Cb 0.85 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2dba h ALA 138 CO -0.09 -1.55 -1.39 1.25 0.00 0.00 0.00 179.25 177.46 2dba h LEU 139 N 0.09 0.37 -2.12 0.00 6.46 -1.61 -3.15 115.31 115.35 2dba h LEU 139 Ca 0.75 -0.85 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2dba h LEU 139 Cb 2.64 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 42.44 2dba h LEU 139 CO -0.19 1.61 -0.03 0.03 -0.62 0.00 0.00 178.44 179.24 2dba h ARG 140 N -0.32 0.00 0.00 1.25 2.47 -0.33 0.32 114.38 117.76 2dba h ARG 140 Ca -0.30 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.42 2dba h ARG 140 Cb 1.74 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.06 2dba h ARG 140 CO 0.05 0.03 -0.04 -0.91 0.56 0.00 0.00 179.97 179.67 2dba h ASN 141 N 0.00 0.00 0.49 7.04 2.35 0.11 -1.35 115.58 124.21 2dba h ASN 141 Ca -0.00 -0.55 -0.12 0.00 -0.55 0.00 0.00 56.30 55.07 2dba h ASN 141 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2dba h ASN 141 CO 0.00 0.80 -0.56 0.16 -1.65 0.00 0.00 177.43 176.19 2dba h ILE 142 N -1.00 1.39 0.00 2.81 3.07 -1.49 -3.06 117.51 119.24 2dba h ILE 142 Ca -0.01 -1.90 -0.22 0.00 1.55 0.00 0.00 64.86 64.29 2dba h ILE 142 Cb 0.58 2.00 -0.03 0.00 -0.27 0.00 0.00 36.82 39.10 2dba h ILE 142 CO -0.00 0.55 -1.08 -1.28 -1.05 0.00 0.00 178.15 175.29 2dba h SER 143 N 0.06 0.01 -3.27 2.16 0.87 -0.51 -3.47 113.55 109.40 2dba h SER 143 Ca -0.00 -0.01 -0.47 0.00 -1.23 0.00 0.00 61.79 60.08 2dba h SER 143 Cb 1.00 -0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.00 2dba h SER 143 CO 0.08 1.01 0.07 -0.83 -0.53 0.00 0.00 176.83 176.62 2dba s GLY 144 N -4.75 1.60 -0.77 5.77 0.00 -0.51 -4.99 107.32 103.68 2dba s GLY 144 Ca 0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 2dba s GLY 144 CO 0.82 -0.62 1.91 2.56 0.00 0.00 0.00 173.10 177.77 2dba s PRO 145 N -4.82 2.59 -0.79 2.90 0.04 -1.26 -4.84 135.00 128.81 2dba s PRO 145 Ca 0.52 0.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.41 2dba s PRO 145 Cb -0.10 -4.77 0.04 0.00 0.04 0.00 0.00 34.50 29.71 2dba s PRO 145 CO 0.42 -3.10 1.28 0.45 0.04 0.00 0.00 177.00 176.09 2dba s SER 146 N 8.07 6.23 -1.80 6.66 0.15 -1.26 -4.20 113.70 127.55 2dba s SER 146 Ca 0.69 -0.72 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 2dba s SER 146 Cb -0.09 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.86 2dba s SER 146 CO 0.09 -1.72 0.52 -1.20 1.20 0.00 0.00 173.24 172.12 2dba n SER 147 N 9.07 -1.50 0.00 5.45 7.64 -1.26 -5.19 113.62 127.83 2dba n SER 147 Ca 0.08 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2dba n SER 147 Cb 0.49 -1.78 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 2dba n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64