#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 0.29 1.61 0.15 -1.26 -5.19 113.70 108.88 2dba s SER 2 Ca 0.00 0.56 -0.15 0.00 0.70 0.00 0.00 55.95 57.06 2dba s SER 2 Cb 0.00 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2dba s SER 2 CO 0.00 -0.33 0.61 -0.55 1.20 0.00 0.00 173.24 174.17 2dba s SER 3 N -0.80 -0.03 0.26 5.45 0.15 -1.26 -5.19 113.70 112.28 2dba s SER 3 Ca -0.02 -0.91 -0.21 0.00 0.70 0.00 0.00 55.95 55.51 2dba s SER 3 Cb -0.01 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.03 2dba s SER 3 CO 0.01 -1.32 0.84 -0.83 1.20 0.00 0.00 173.24 173.14 2dba s GLY 4 N -3.02 0.01 0.22 9.45 0.00 -1.26 -5.18 107.32 107.54 2dba s GLY 4 Ca 0.18 -0.31 0.10 0.00 0.00 0.00 0.00 44.72 44.70 2dba s GLY 4 CO 0.10 0.20 -0.20 -0.56 0.00 0.00 0.00 173.10 172.64 2dba s SER 5 N -3.03 3.20 0.13 1.64 0.01 -1.26 -5.15 113.70 109.23 2dba s SER 5 Ca 0.14 -0.94 0.07 0.00 1.31 0.00 0.00 55.95 56.53 2dba s SER 5 Cb -0.04 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2dba s SER 5 CO 0.07 0.02 -0.17 -0.44 0.41 0.00 0.00 173.24 173.12 2dba s SER 6 N -3.04 2.33 0.00 2.44 0.01 -1.26 -5.12 113.70 109.06 2dba s SER 6 Ca 0.23 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2dba s SER 6 Cb -0.05 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2dba s SER 6 CO 0.10 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2dba n GLY 7 N 0.67 3.97 3.57 3.44 0.00 -1.26 -5.19 105.19 110.39 2dba n GLY 7 Ca -0.16 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 2dba n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dba s MET 8 N -2.21 0.53 -0.27 1.61 0.00 -1.26 -5.18 119.30 112.52 2dba s MET 8 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 55.69 55.42 2dba s MET 8 Cb 0.00 0.25 0.15 0.00 0.00 0.00 0.00 34.83 35.23 2dba s MET 8 CO 0.00 -0.20 1.20 -0.08 0.00 0.00 0.00 175.02 175.95 2dba s THR 9 N -1.76 0.00 0.20 3.16 -1.32 -1.26 -5.19 115.64 109.48 2dba s THR 9 Ca 0.03 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.36 2dba s THR 9 Cb -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 2dba s THR 9 CO -0.03 0.00 0.46 0.68 -2.21 0.00 0.00 174.62 173.52 2dba s VAL 10 N -0.08 0.03 0.31 5.08 -7.23 -1.26 -5.19 120.40 112.06 2dba s VAL 10 Ca 0.05 -1.09 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 2dba s VAL 10 Cb -0.04 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 2dba s VAL 10 CO -0.09 -0.13 0.09 -0.55 -0.31 0.00 0.00 175.10 174.11 2dba s SER 11 N -2.93 1.89 -0.33 4.85 0.15 -1.26 -5.14 113.70 110.93 2dba s SER 11 Ca 0.14 -1.44 -0.01 0.00 0.70 0.00 0.00 55.95 55.34 2dba s SER 11 Cb -0.00 0.14 0.12 0.00 -1.71 0.00 0.00 66.02 64.58 2dba s SER 11 CO 0.01 -0.73 0.18 -0.83 1.20 0.00 0.00 173.24 173.07 2dba s GLY 12 N -3.43 0.75 0.66 9.45 0.00 -1.26 -5.14 107.32 108.36 2dba s GLY 12 Ca 0.35 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 2dba s GLY 12 CO 0.15 2.05 0.58 -1.55 0.00 0.00 0.00 173.10 174.33 2dba n PRO 13 N 4.49 -2.17 -4.42 2.90 -0.04 -1.26 -5.10 135.00 129.41 2dba n PRO 13 Ca 0.05 -0.93 -0.23 0.00 -0.04 0.00 0.00 63.50 62.34 2dba n PRO 13 Cb 0.39 -0.88 -0.08 0.00 -0.04 0.00 0.00 33.50 32.89 2dba n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2dba s GLY 14 N -3.54 2.52 0.01 0.55 0.00 -1.26 -5.17 107.32 100.42 2dba s GLY 14 Ca 0.38 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.58 2dba s GLY 14 CO 0.29 -1.68 -0.07 -0.51 0.00 0.00 0.00 173.10 171.13 2dba s THR 15 N -3.31 0.51 0.31 0.90 -4.23 -1.26 -5.16 115.64 103.40 2dba s THR 15 Ca 0.30 -0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 2dba s THR 15 Cb 0.02 -0.46 0.08 0.00 1.34 0.00 0.00 72.50 73.48 2dba s THR 15 CO 0.20 0.04 0.27 -0.81 -0.54 0.00 0.00 174.62 173.78 2dba n PRO 16 N 2.64 -1.56 -3.72 3.99 -0.04 -1.26 -5.10 135.00 129.95 2dba n PRO 16 Ca -0.15 -0.43 -0.14 0.00 -0.04 0.00 0.00 63.50 62.74 2dba n PRO 16 Cb 0.57 -0.41 -0.09 0.00 -0.04 0.00 0.00 33.50 33.53 2dba n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dba s GLU 17 N -3.61 0.58 0.41 0.54 2.02 -1.26 -5.17 118.70 112.20 2dba s GLU 17 Ca 0.18 0.39 -0.07 0.00 0.02 0.00 0.00 54.97 55.49 2dba s GLU 17 Cb -0.02 0.28 0.10 0.00 0.10 0.00 0.00 34.13 34.59 2dba s GLU 17 CO 0.14 -0.11 0.36 -0.35 0.02 0.00 0.00 175.26 175.32 2dba n PRO 18 N 2.33 -1.73 -4.26 0.39 -0.04 -1.26 -5.09 135.00 125.35 2dba n PRO 18 Ca -0.16 -0.58 -0.18 0.00 -0.04 0.00 0.00 63.50 62.55 2dba n PRO 18 Cb 0.57 -0.54 -0.15 0.00 -0.04 0.00 0.00 33.50 33.34 2dba n PRO 18 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dba s ARG 19 N -3.82 0.64 0.25 0.54 1.81 -1.26 -5.13 118.95 111.98 2dba s ARG 19 Ca 0.23 -0.23 -0.30 0.00 -1.72 0.00 0.00 55.73 53.72 2dba s ARG 19 Cb -0.02 -0.62 -0.09 0.00 -0.45 0.00 0.00 34.95 33.76 2dba s ARG 19 CO 0.18 0.11 1.27 -1.25 -0.68 0.00 0.00 175.30 174.93 2dba s PRO 20 N 0.03 4.43 0.24 3.54 0.04 -1.26 -5.04 135.00 136.98 2dba s PRO 20 Ca 0.00 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.15 2dba s PRO 20 Cb -0.05 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 2dba s PRO 20 CO -0.00 -0.14 -0.07 0.00 0.04 0.00 0.00 177.00 176.83 2dba s ALA 21 N -0.49 2.09 -0.28 8.56 0.00 -1.26 -5.16 121.76 125.23 2dba s ALA 21 Ca 0.52 -1.79 -0.25 0.00 0.00 0.00 0.00 51.96 50.43 2dba s ALA 21 Cb -0.36 0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.11 2dba s ALA 21 CO 0.43 -0.09 1.23 -0.08 0.00 0.00 0.00 175.76 177.26 2dba s THR 22 N -3.12 0.00 0.44 0.00 -1.32 -1.26 -5.18 115.64 105.20 2dba s THR 22 Ca 0.27 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.68 2dba s THR 22 Cb 0.03 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.13 2dba s THR 22 CO 0.09 0.00 0.39 -0.81 -2.21 0.00 0.00 174.62 172.08 2dba n PRO 23 N 1.76 -1.78 0.00 7.08 -0.04 -1.26 -5.07 135.00 135.70 2dba n PRO 23 Ca -0.11 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2dba n PRO 23 Cb 0.57 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 2dba n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dba n GLY 24 N -0.11 4.32 3.63 0.55 0.00 -1.26 -5.07 105.19 107.25 2dba n GLY 24 Ca 0.05 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.67 3.51 0.00 4.61 0.00 -1.26 -4.61 121.76 123.34 2dba s ALA 25 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2dba s ALA 25 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2dba s ALA 25 CO 0.00 -1.42 0.00 0.45 0.00 0.00 0.00 175.76 174.79 2dba n SER 26 N 6.72 0.00 -2.29 0.00 2.88 -1.26 -5.08 113.62 114.59 2dba n SER 26 Ca 0.10 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2dba n SER 26 Cb 0.47 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.94 2dba n SER 26 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dba n SER 27 N -2.17 -0.75 -0.32 -3.46 2.88 -1.26 -4.98 113.62 103.55 2dba n SER 27 Ca 0.00 -1.31 0.17 0.00 -1.33 0.00 0.00 58.87 56.40 2dba n SER 27 Cb 0.00 1.20 0.41 0.00 -0.75 0.00 0.00 64.21 65.07 2dba n SER 27 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2dba h VAL 28 N 1.50 0.64 -0.46 2.46 3.04 -1.92 0.46 116.25 121.98 2dba h VAL 28 Ca -0.12 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 2dba h VAL 28 Cb 0.60 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 2dba h VAL 28 CO 0.17 0.11 0.23 -0.08 -1.01 0.00 0.00 177.57 176.99 2dba h GLU 29 N 0.59 0.63 0.00 4.17 4.81 -1.95 -2.45 114.58 120.38 2dba h GLU 29 Ca 0.57 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2dba h GLU 29 Cb 1.13 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2dba h GLU 29 CO -0.33 0.48 -0.02 0.94 -0.73 0.00 0.00 179.01 179.35 2dba n GLN 30 N -4.40 0.02 -0.39 1.92 -0.06 0.97 -4.30 117.38 111.14 2dba n GLN 30 Ca 0.04 0.24 0.32 0.00 -2.00 0.00 0.00 57.00 55.59 2dba n GLN 30 Cb 0.11 -0.76 0.52 0.00 -4.06 0.00 0.00 30.24 26.05 2dba n GLN 30 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 2dba n LEU 31 N -2.36 0.10 -0.28 1.69 -0.00 0.12 -0.44 117.00 115.83 2dba n LEU 31 Ca -0.00 0.89 0.03 0.00 -0.00 0.00 0.00 56.01 56.93 2dba n LEU 31 Cb 0.01 -0.44 0.08 0.00 -0.00 0.00 0.00 43.42 43.07 2dba n LEU 31 CO 0.00 -0.95 0.48 -1.14 -0.00 0.00 0.00 177.39 175.78 2dba n ARG 32 N -3.86 -0.10 -0.13 1.47 0.63 -0.92 0.15 116.66 113.89 2dba n ARG 32 Ca 0.30 1.16 -0.04 0.00 -0.92 0.00 0.00 57.85 58.35 2dba n ARG 32 Cb 1.22 -1.73 0.03 0.00 0.45 0.00 0.00 32.46 32.43 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 0.06 -0.99 -0.14 1.79 -1.03 -1.07 116.57 115.18 2dba h LYS 33 Ca 0.33 -0.00 0.41 0.00 -2.18 0.00 0.00 60.65 59.20 2dba h LYS 33 Cb 0.51 -0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 30.97 2dba h LYS 33 CO -0.76 0.04 0.50 -1.91 -1.08 0.00 0.00 179.45 176.24 2dba n GLU 34 N -5.25 -0.06 0.24 3.15 2.13 0.39 0.13 120.64 121.36 2dba n GLU 34 Ca 0.03 1.38 -0.10 0.00 0.66 0.00 0.00 57.16 59.13 2dba n GLU 34 Cb 0.23 -2.45 -0.05 0.00 0.27 0.00 0.00 31.44 29.44 2dba n GLU 34 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2dba h GLY 35 N 0.00 -0.66 0.62 8.31 0.00 -1.15 -2.78 103.07 107.42 2dba h GLY 35 Ca 0.83 0.24 0.01 0.00 0.00 0.00 0.00 47.33 48.41 2dba h GLY 35 CO -0.77 -0.24 -0.23 3.43 0.00 0.00 0.00 176.54 178.73 2dba h ASN 36 N -0.81 -0.64 -0.96 0.19 2.35 -1.11 -0.89 115.58 113.71 2dba h ASN 36 Ca -0.06 0.07 0.31 0.00 -0.55 0.00 0.00 56.30 56.07 2dba h ASN 36 Cb 0.48 0.24 -0.16 0.00 0.05 0.00 0.00 38.32 38.93 2dba h ASN 36 CO 0.11 -0.32 0.33 -0.33 -1.65 0.00 0.00 177.43 175.57 2dba h GLU 37 N -0.43 0.12 -0.02 0.81 4.39 -0.43 1.19 114.58 120.22 2dba h GLU 37 Ca 0.02 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.54 2dba h GLU 37 Cb 0.45 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2dba h GLU 37 CO -0.12 0.08 -0.78 -0.07 -1.16 0.00 0.00 179.01 176.97 2dba h LEU 38 N 0.13 0.21 0.15 1.33 3.38 -1.09 -3.05 115.31 116.36 2dba h LEU 38 Ca 0.68 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 2dba h LEU 38 Cb 1.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2dba h LEU 38 CO -0.74 0.90 -0.07 0.15 0.09 0.00 0.00 178.44 178.77 2dba h PHE 39 N 0.10 -0.19 0.00 1.13 3.57 0.26 -0.63 116.94 121.19 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 1.36 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.17 2dba h PHE 39 CO 0.02 0.19 0.00 0.36 -2.23 0.00 0.00 178.31 176.65 2dba n LYS 40 N -5.00 0.18 -0.04 1.11 2.85 0.81 -1.52 118.16 116.55 2dba n LYS 40 Ca -0.09 0.15 0.01 0.00 -1.05 0.00 0.00 58.31 57.33 2dba n LYS 40 Cb 0.24 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.99 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 1.72 1.31 3.55 0.00 0.00 -0.47 -5.04 105.19 106.27 2dba n GLY 42 Ca -0.14 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 1.89 -0.03 1.61 -0.08 -0.37 -4.75 116.55 114.83 2dba n ASP 43 Ca 0.00 -1.14 -0.16 0.00 -1.51 0.00 0.00 54.79 51.97 2dba n ASP 43 Cb 0.00 -1.61 -0.14 0.00 2.34 0.00 0.00 41.12 41.71 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 14.91 0.19 -0.98 -0.67 0.05 -1.92 -2.55 116.97 126.01 2dba h TYR 44 Ca -0.08 -0.14 0.22 0.00 0.05 0.00 0.00 58.73 58.78 2dba h TYR 44 Cb 1.09 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.74 2dba h TYR 44 CO 1.10 1.12 0.62 0.78 -1.05 0.00 0.00 178.16 180.73 2dba h GLY 45 N -0.78 1.34 0.00 3.88 0.00 -1.93 -2.61 103.07 102.97 2dba h GLY 45 Ca -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2dba h GLY 45 CO 0.05 -0.07 -0.13 -1.33 0.00 0.00 0.00 176.54 175.06 2dba h GLY 46 N 0.55 0.00 -0.81 4.60 0.00 -1.96 -3.32 103.07 102.13 2dba h GLY 46 Ca 0.55 0.00 0.17 0.00 0.00 0.00 0.00 47.33 48.05 2dba h GLY 46 CO -0.29 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.06 2dba n ALA 47 N -2.83 0.21 0.13 3.60 0.00 -0.96 0.39 120.51 121.06 2dba n ALA 47 Ca -0.07 0.89 -0.13 0.00 0.00 0.00 0.00 53.44 54.12 2dba n ALA 47 Cb 0.26 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.90 -0.87 0.00 7.12 -1.62 -2.80 115.31 116.24 2dba h LEU 48 Ca 0.40 0.10 0.10 0.00 0.13 0.00 0.00 57.88 58.60 2dba h LEU 48 Cb 0.63 0.33 -0.12 0.00 -0.53 0.00 0.00 40.66 40.97 2dba h LEU 48 CO -0.82 -0.41 -0.45 0.00 -0.13 0.00 0.00 178.44 176.62 2dba n ALA 49 N -2.68 -0.40 -0.10 1.25 0.00 0.16 -0.17 120.51 118.58 2dba n ALA 49 Ca -0.07 0.79 -0.08 0.00 0.00 0.00 0.00 53.44 54.07 2dba n ALA 49 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 2dba n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dba h ALA 50 N 0.71 -0.26 -0.68 0.00 0.00 -1.34 -0.84 119.26 116.85 2dba h ALA 50 Ca 0.20 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.33 2dba h ALA 50 Cb 0.42 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2dba h ALA 50 CO -0.84 -0.77 0.13 1.88 0.00 0.00 0.00 179.25 179.66 2dba h TYR 51 N -0.29 0.20 -0.36 0.00 0.05 -0.41 -1.43 116.97 114.73 2dba h TYR 51 Ca 0.15 0.04 0.08 0.00 0.05 0.00 0.00 58.73 59.05 2dba h TYR 51 Cb 0.55 0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.22 2dba h TYR 51 CO -0.54 -0.08 -0.26 1.15 -1.05 0.00 0.00 178.16 177.38 2dba h THR 52 N 0.24 0.32 0.52 -2.88 2.02 0.09 -2.40 112.91 110.83 2dba h THR 52 Ca 0.37 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.54 2dba h THR 52 Cb 0.60 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2dba h THR 52 CO -0.48 0.00 -0.44 1.56 0.37 0.00 0.00 175.52 176.53 2dba h GLN 53 N -0.21 -0.91 -0.85 6.66 4.20 -0.93 -1.74 115.11 121.33 2dba h GLN 53 Ca 0.17 0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.07 2dba h GLN 53 Cb 0.49 0.21 -0.13 0.00 0.30 0.00 0.00 27.48 28.34 2dba h GLN 53 CO -0.48 -0.61 -0.34 0.00 -0.67 0.00 0.00 178.83 176.73 2dba n ALA 54 N -2.72 -0.14 -0.17 3.87 0.00 -0.85 0.91 120.51 121.41 2dba n ALA 54 Ca -0.12 0.83 -0.07 0.00 0.00 0.00 0.00 53.44 54.08 2dba n ALA 54 Cb 0.43 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.54 2dba n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dba h LEU 55 N 0.00 0.60 -0.89 0.00 3.38 -1.22 -2.73 115.31 114.45 2dba h LEU 55 Ca 0.28 -0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.40 2dba h LEU 55 Cb 0.49 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2dba h LEU 55 CO -0.84 0.49 0.39 1.23 0.09 0.00 0.00 178.44 179.80 2dba h GLY 56 N 0.66 1.52 -2.36 0.83 0.00 0.15 -3.41 103.07 100.46 2dba h GLY 56 Ca 0.18 -0.16 -0.48 0.00 0.00 0.00 0.00 47.33 46.86 2dba h GLY 56 CO -0.03 -0.26 0.41 1.08 0.00 0.00 0.00 176.54 177.74 2dba s LEU 57 N -10.49 3.94 -1.16 3.11 1.43 -0.75 -4.92 118.68 109.85 2dba s LEU 57 Ca -0.12 2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 54.79 2dba s LEU 57 Cb 0.25 -4.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 2dba s LEU 57 CO 0.78 -0.76 1.88 -1.81 0.23 0.00 0.00 176.35 176.67 2dba s ASP 58 N -1.76 5.45 0.42 2.29 1.01 -1.26 -4.93 116.67 117.88 2dba s ASP 58 Ca 0.65 -1.68 0.06 0.00 0.71 0.00 0.00 52.55 52.28 2dba s ASP 58 Cb -0.20 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.15 2dba s ASP 58 CO 0.25 -2.61 0.58 0.00 0.21 0.00 0.00 175.17 173.60 2dba s ALA 59 N 9.38 4.26 0.82 5.23 0.00 -1.26 -5.07 121.76 135.11 2dba s ALA 59 Ca 0.65 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 2dba s ALA 59 Cb -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2dba s ALA 59 CO 0.10 -0.29 0.58 0.25 0.00 0.00 0.00 175.76 176.39 2dba n THR 60 N -1.89 1.21 0.60 0.00 -2.24 -1.26 -4.84 114.28 105.85 2dba n THR 60 Ca 0.05 -0.30 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 2dba n THR 60 Cb 0.59 -0.76 0.34 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.41 0.11 -0.07 -0.78 -0.04 -1.26 -2.91 135.00 128.64 2dba n PRO 61 Ca 0.09 0.20 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 2dba n PRO 61 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2dba n PRO 61 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dba n GLN 62 N -1.39 0.67 -0.23 0.54 7.27 -1.26 -4.28 117.38 118.71 2dba n GLN 62 Ca 0.05 0.28 -0.04 0.00 0.07 0.00 0.00 57.00 57.35 2dba n GLN 62 Cb 0.14 -1.63 0.06 0.00 2.41 0.00 0.00 30.24 31.22 2dba n GLN 62 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2dba h ASP 63 N -0.26 0.68 -0.41 1.69 5.19 -1.88 -2.87 116.42 118.56 2dba h ASP 63 Ca -0.50 -0.00 0.08 0.00 -0.62 0.00 0.00 57.03 55.98 2dba h ASP 63 Cb 1.83 -0.15 -0.09 0.00 0.18 0.00 0.00 39.33 41.09 2dba h ASP 63 CO -0.08 0.48 -0.36 1.56 -3.12 0.00 0.00 179.24 177.72 2dba h GLN 64 N 0.81 -0.26 -0.60 3.56 4.20 -1.74 -0.63 115.11 120.44 2dba h GLN 64 Ca 0.25 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.10 2dba h GLN 64 Cb -0.01 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 27.72 2dba h GLN 64 CO -0.09 -0.18 -0.08 0.00 -0.67 0.00 0.00 178.83 177.82 2dba h ALA 65 N 0.66 0.49 -0.98 3.87 0.00 -1.69 0.29 119.26 121.90 2dba h ALA 65 Ca 0.16 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.34 2dba h ALA 65 Cb 0.56 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2dba h ALA 65 CO -0.56 -0.42 0.64 0.28 0.00 0.00 0.00 179.25 179.20 2dba h VAL 66 N 0.05 1.13 -0.29 0.00 2.07 -1.11 -1.11 116.25 116.99 2dba h VAL 66 Ca 0.30 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 2dba h VAL 66 Cb 0.48 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2dba h VAL 66 CO -0.57 0.22 -0.32 -0.07 0.02 0.00 0.00 177.57 176.85 2dba h LEU 67 N 1.20 0.77 -0.20 2.57 3.38 0.45 -2.12 115.31 121.36 2dba h LEU 67 Ca 0.41 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2dba h LEU 67 Cb 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2dba h LEU 67 CO -0.14 1.10 0.10 0.45 0.09 0.00 0.00 178.44 180.03 2dba h HIS 68 N 0.47 0.18 -0.52 1.13 3.86 0.00 0.18 115.15 120.45 2dba h HIS 68 Ca 0.04 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 2dba h HIS 68 Cb 0.89 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 2dba h HIS 68 CO 0.07 0.10 0.12 0.07 0.86 0.00 0.00 177.93 179.16 2dba h ARG 69 N 0.21 0.79 -0.21 2.45 0.11 -1.24 -2.89 114.38 113.60 2dba h ARG 69 Ca 0.08 -0.16 -0.07 0.00 0.10 0.00 0.00 59.98 59.93 2dba h ARG 69 Cb 0.02 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 30.97 2dba h ARG 69 CO -0.06 0.71 -0.16 -0.91 0.10 0.00 0.00 179.97 179.66 2dba h ASN 70 N 0.76 0.50 -0.45 0.08 -0.26 -0.88 -3.23 115.58 112.10 2dba h ASN 70 Ca 0.17 -0.45 0.09 0.00 -0.56 0.00 0.00 56.30 55.55 2dba h ASN 70 Cb 0.28 -0.14 -0.09 0.00 -1.06 0.00 0.00 38.32 37.31 2dba h ASN 70 CO -0.00 0.84 -0.20 0.03 -1.06 0.00 0.00 177.43 177.04 2dba h ARG 71 N 0.16 -0.10 -0.99 0.81 3.08 -0.46 -0.02 114.38 116.85 2dba h ARG 71 Ca 0.04 0.01 0.37 0.00 0.07 0.00 0.00 59.98 60.47 2dba h ARG 71 Cb 0.68 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 30.58 2dba h ARG 71 CO 0.04 -0.07 0.48 0.00 -1.07 0.00 0.00 179.97 179.35 2dba h ALA 72 N 1.21 1.97 0.06 0.04 0.00 -1.54 0.99 119.26 121.99 2dba h ALA 72 Ca 0.21 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.40 2dba h ALA 72 Cb 0.44 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2dba h ALA 72 CO -0.52 -0.80 -0.46 0.00 0.00 0.00 0.00 179.25 177.47 2dba h ALA 73 N 1.95 -0.79 -0.66 0.00 0.00 -1.10 0.26 119.26 118.92 2dba h ALA 73 Ca 0.78 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.74 2dba h ALA 73 Cb 1.95 0.79 -0.12 0.00 0.00 0.00 0.00 17.79 20.40 2dba h ALA 73 CO -0.74 -1.02 -0.29 0.00 0.00 0.00 0.00 179.25 177.20 2dba h HIS 75 N -0.10 -0.69 -0.99 0.00 3.86 -1.33 -1.45 115.15 114.45 2dba h HIS 75 Ca 0.28 -0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.73 2dba h HIS 75 Cb 0.55 0.26 -0.18 0.00 1.06 0.00 0.00 27.41 29.09 2dba h HIS 75 CO -0.63 -0.39 -0.08 -0.07 0.86 0.00 0.00 177.93 177.62 2dba h LEU 76 N -0.60 -0.65 -0.50 2.43 3.38 0.19 0.90 115.31 120.46 2dba h LEU 76 Ca -0.02 0.29 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2dba h LEU 76 Cb 0.52 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2dba h LEU 76 CO -0.01 -0.34 -0.24 0.11 0.09 0.00 0.00 178.44 178.04 2dba h LYS 77 N 0.01 0.97 -1.85 1.13 1.79 -1.04 -3.06 116.57 114.51 2dba h LYS 77 Ca 0.55 -0.43 -0.13 0.00 -2.18 0.00 0.00 60.65 58.47 2dba h LYS 77 Cb 1.03 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 2dba h LYS 77 CO -0.96 1.10 0.12 1.28 -1.08 0.00 0.00 179.45 179.91 2dba n LEU 78 N -4.10 5.73 -4.26 2.94 4.77 0.28 -4.77 117.00 117.59 2dba n LEU 78 Ca -0.00 -2.78 -0.32 0.00 -0.03 0.00 0.00 56.01 52.88 2dba n LEU 78 Cb 0.47 -1.13 -0.07 0.00 -2.33 0.00 0.00 43.42 40.37 2dba n LEU 78 CO 0.47 1.14 -0.31 -0.62 -1.33 0.00 0.00 177.39 176.74 2dba n GLU 79 N 1.18 -1.77 -2.60 3.23 4.71 -0.99 -4.86 120.64 119.54 2dba n GLU 79 Ca 0.13 0.21 -0.21 0.00 -0.01 0.00 0.00 57.16 57.28 2dba n GLU 79 Cb 0.55 -4.20 0.00 0.00 -1.01 0.00 0.00 31.44 26.78 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 -2.81 3.57 -0.18 1.62 8.00 0.36 -4.87 116.55 122.25 2dba n ASP 80 Ca -0.20 -3.39 -0.08 0.00 0.71 0.00 0.00 54.79 51.83 2dba n ASP 80 Cb 0.63 -0.50 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 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 2.75 0.76 -0.73 1.24 0.05 -1.82 -2.46 116.97 116.77 2dba h TYR 81 Ca 0.16 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.95 2dba h TYR 81 Cb 0.96 -0.23 -0.10 0.00 1.01 0.00 0.00 36.73 38.38 2dba h TYR 81 CO 0.71 0.63 -0.51 -0.44 -1.05 0.00 0.00 178.16 177.50 2dba h ASP 82 N 0.67 -1.83 0.33 3.88 5.19 -1.89 -1.42 116.42 121.36 2dba h ASP 82 Ca 0.17 0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.83 2dba h ASP 82 Cb 0.19 0.79 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2dba h ASP 82 CO -0.01 -0.24 -0.16 0.11 -3.12 0.00 0.00 179.24 175.81 2dba h LYS 83 N -0.10 -0.43 -0.73 3.56 1.57 -1.97 -3.04 116.57 115.44 2dba h LYS 83 Ca 0.12 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.06 2dba h LYS 83 Cb 0.40 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.68 2dba h LYS 83 CO -0.74 -0.25 -0.22 0.00 -0.57 0.00 0.00 179.45 177.68 2dba n ALA 84 N -2.32 0.08 -0.28 3.86 0.00 -0.65 0.15 120.51 121.35 2dba n ALA 84 Ca -0.10 0.78 0.07 0.00 0.00 0.00 0.00 53.44 54.19 2dba n ALA 84 Cb 0.21 -0.43 0.18 0.00 0.00 0.00 0.00 19.45 19.42 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 0.09 0.81 0.00 4.81 -1.17 -1.29 114.58 117.82 2dba h GLU 85 Ca 0.32 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2dba h GLU 85 Cb 0.50 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.87 2dba h GLU 85 CO -0.75 0.06 -0.39 1.15 -0.73 0.00 0.00 179.01 178.35 2dba h THR 86 N 0.09 0.04 -1.68 0.32 2.02 0.13 -1.50 112.91 112.33 2dba h THR 86 Ca 0.45 -0.19 0.49 0.00 0.77 0.00 0.00 66.41 67.94 2dba h THR 86 Cb 0.82 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 2dba h THR 86 CO -0.72 0.00 1.20 -0.33 0.37 0.00 0.00 175.52 176.04 2dba h GLU 87 N -1.27 0.01 0.05 6.66 5.08 -0.93 0.51 114.58 124.69 2dba h GLU 87 Ca -0.11 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2dba h GLU 87 Cb 0.84 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 2dba h GLU 87 CO 0.18 0.01 -0.28 0.00 -1.00 0.00 0.00 179.01 177.92 2dba h ALA 88 N 1.18 -0.03 0.00 3.43 0.00 -0.99 -1.86 119.26 121.00 2dba h ALA 88 Ca 0.81 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2dba h ALA 88 Cb 3.20 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 21.02 2dba h ALA 88 CO -0.04 0.13 -0.06 1.03 0.00 0.00 0.00 179.25 180.31 2dba h SER 89 N -0.76 0.00 0.39 0.00 0.87 0.94 -1.16 113.55 113.82 2dba h SER 89 Ca -0.05 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.20 2dba h SER 89 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2dba h SER 89 CO 0.05 0.06 -1.68 0.07 -0.53 0.00 0.00 176.83 174.80 2dba h LYS 90 N 0.00 0.19 -0.03 2.24 2.10 -0.83 -3.17 116.57 117.08 2dba h LYS 90 Ca -0.00 -0.33 -0.10 0.00 -2.00 0.00 0.00 60.65 58.22 2dba h LYS 90 Cb 0.16 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2dba h LYS 90 CO 0.01 1.00 -0.43 0.00 -2.00 0.00 0.00 179.45 178.02 2dba h ALA 91 N 0.51 1.23 0.17 0.07 0.00 -0.73 -2.71 119.26 117.79 2dba h ALA 91 Ca -0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2dba h ALA 91 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2dba h ALA 91 CO 0.12 0.56 -0.08 0.82 0.00 0.00 0.00 179.25 180.68 2dba h ILE 92 N 0.05 0.00 -1.27 0.00 2.04 -1.36 -3.29 117.51 113.69 2dba h ILE 92 Ca 0.00 -0.47 0.37 0.00 1.00 0.00 0.00 64.86 65.76 2dba h ILE 92 Cb 0.79 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 2dba h ILE 92 CO 0.06 0.00 0.89 1.05 0.00 0.00 0.00 178.15 180.15 2dba h GLU 93 N -0.69 0.07 0.25 2.37 4.11 -1.64 0.79 114.58 119.84 2dba h GLU 93 Ca -0.02 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.41 2dba h GLU 93 Cb 0.17 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2dba h GLU 93 CO 0.04 0.05 -0.49 0.87 0.07 0.00 0.00 179.01 179.55 2dba h LYS 94 N 0.08 -0.78 0.00 1.06 1.79 -1.54 -3.38 116.57 113.80 2dba h LYS 94 Ca 0.64 0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.99 2dba h LYS 94 Cb 2.34 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 33.15 2dba h LYS 94 CO -0.09 -0.52 -1.55 -0.25 -1.08 0.00 0.00 179.45 175.95 2dba n ASP 95 N -5.51 1.93 0.00 0.86 9.92 -0.33 -5.04 116.55 118.37 2dba n ASP 95 Ca -0.09 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 2dba n ASP 95 Cb 0.42 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dba n GLY 96 N 1.42 1.08 1.98 0.44 0.00 0.26 -4.97 105.19 105.40 2dba n GLY 96 Ca -0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 2dba n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dba n GLY 97 N -1.83 1.41 2.72 -0.02 0.00 -1.26 -5.04 105.19 101.17 2dba n GLY 97 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.15 3.62 0.36 1.61 1.01 -1.26 -4.95 116.67 115.92 2dba s ASP 98 Ca 0.06 -3.59 0.12 0.00 0.71 0.00 0.00 52.55 49.85 2dba s ASP 98 Cb 0.27 -1.21 0.92 0.00 1.01 0.00 0.00 42.92 43.91 2dba s ASP 98 CO -0.08 -0.11 1.81 -0.37 0.21 0.00 0.00 175.17 176.63 2dba h VAL 99 N 4.46 0.67 -0.85 -1.27 -1.51 -1.96 -1.52 116.25 114.28 2dba h VAL 99 Ca 0.19 -0.20 0.34 0.00 -1.23 0.00 0.00 66.70 65.81 2dba h VAL 99 Cb 0.81 0.05 -0.14 0.00 -2.13 0.00 0.00 31.29 29.87 2dba h VAL 99 CO 0.60 0.11 0.48 0.29 -1.23 0.00 0.00 177.57 177.81 2dba n LYS 100 N -4.64 -0.04 0.06 5.19 4.76 -1.26 0.70 118.16 122.92 2dba n LYS 100 Ca 0.22 1.09 -0.11 0.00 -2.87 0.00 0.00 58.31 56.64 2dba n LYS 100 Cb 0.66 -1.99 -0.08 0.00 -1.84 0.00 0.00 35.03 31.79 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 1.55 -0.22 -0.80 7.82 0.00 -1.64 -3.25 119.26 122.73 2dba h ALA 101 Ca 0.68 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.49 2dba h ALA 101 Cb 1.88 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 19.62 2dba h ALA 101 CO -0.58 -0.32 -0.38 -0.07 0.00 0.00 0.00 179.25 177.90 2dba h LEU 102 N -0.82 -1.38 -0.87 0.00 3.38 0.16 0.48 115.31 116.25 2dba h LEU 102 Ca -0.02 0.27 0.21 0.00 0.09 0.00 0.00 57.88 58.43 2dba h LEU 102 Cb 0.53 0.69 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 2dba h LEU 102 CO 0.04 -0.30 0.36 0.22 0.09 0.00 0.00 178.44 178.85 2dba h TYR 103 N -0.09 0.59 -0.30 1.13 3.20 -1.47 0.81 116.97 120.86 2dba h TYR 103 Ca 0.28 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 62.04 2dba h TYR 103 Cb 0.57 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 2dba h TYR 103 CO -0.78 -0.05 -0.40 0.00 -1.64 0.00 0.00 178.16 175.30 2dba h ARG 104 N 0.38 0.79 -0.43 1.82 2.47 -0.22 -3.23 114.38 115.97 2dba h ARG 104 Ca 0.54 -0.45 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 2dba h ARG 104 Cb 1.01 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 29.28 2dba h ARG 104 CO -0.53 1.08 -0.11 -0.09 0.56 0.00 0.00 179.97 180.89 2dba h ARG 105 N 0.55 -0.00 -0.89 0.04 2.43 0.17 -0.95 114.38 115.72 2dba h ARG 105 Ca 0.03 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.45 2dba h ARG 105 Cb 0.99 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.40 2dba h ARG 105 CO 0.09 -0.00 0.27 0.66 -1.51 0.00 0.00 179.97 179.48 2dba h SER 106 N -0.00 0.05 -0.76 -3.80 4.64 -1.36 0.31 113.55 112.63 2dba h SER 106 Ca 0.21 0.20 0.16 0.00 -0.47 0.00 0.00 61.79 61.89 2dba h SER 106 Cb 0.32 0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.55 2dba h SER 106 CO -0.45 -0.15 0.22 1.56 -0.87 0.00 0.00 176.83 177.14 2dba h GLN 107 N 0.22 0.30 -0.06 4.77 4.20 -1.27 0.30 115.11 123.58 2dba h GLN 107 Ca 0.57 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 59.10 2dba h GLN 107 Cb 1.17 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.89 2dba h GLN 107 CO -0.65 0.20 -0.59 0.00 -0.67 0.00 0.00 178.83 177.12 2dba h ALA 108 N 1.61 0.15 0.15 3.87 0.00 -0.49 -3.11 119.26 121.45 2dba h ALA 108 Ca 0.43 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2dba h ALA 108 Cb 0.74 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2dba h ALA 108 CO -0.50 0.41 -0.46 -0.07 0.00 0.00 0.00 179.25 178.63 2dba h LEU 109 N 0.08 -1.36 -0.74 0.00 3.38 -0.03 -0.43 115.31 116.21 2dba h LEU 109 Ca -0.06 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2dba h LEU 109 Cb 1.26 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 42.42 2dba h LEU 109 CO 0.12 -0.53 0.26 -0.33 0.09 0.00 0.00 178.44 178.05 2dba h GLU 110 N -0.72 0.37 -0.77 1.13 5.08 -1.10 0.14 114.58 118.72 2dba h GLU 110 Ca 0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2dba h GLU 110 Cb 0.72 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2dba h GLU 110 CO -0.24 0.25 0.51 -0.22 -1.00 0.00 0.00 179.01 178.30 2dba h LYS 111 N 0.38 0.96 -0.99 2.33 1.63 -1.29 -1.15 116.57 118.44 2dba h LYS 111 Ca 0.41 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 60.04 2dba h LYS 111 Cb 0.64 -0.22 -0.07 0.00 -0.60 0.00 0.00 32.23 31.99 2dba h LYS 111 CO -0.43 0.63 0.14 1.28 -3.45 0.00 0.00 179.45 177.63 2dba n LEU 112 N -4.44 3.73 -2.51 5.20 4.77 0.31 -4.81 117.00 119.25 2dba n LEU 112 Ca 0.09 -1.92 -0.16 0.00 -0.03 0.00 0.00 56.01 54.00 2dba n LEU 112 Cb 0.07 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2dba n LEU 112 CO 0.36 0.60 -0.17 0.61 -1.33 0.00 0.00 177.39 177.46 2dba n GLY 113 N 0.11 -0.50 2.33 -0.72 0.00 -0.43 -4.85 105.19 101.12 2dba n GLY 113 Ca 0.14 0.01 -0.32 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 -2.98 2.99 -0.31 1.61 1.74 -0.08 -4.73 116.66 114.90 2dba n ARG 114 Ca -0.17 -3.62 0.14 0.00 -0.77 0.00 0.00 57.85 53.43 2dba n ARG 114 Cb 0.63 -2.28 0.37 0.00 -1.02 0.00 0.00 32.46 30.16 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 2.20 0.69 -1.15 0.55 3.38 -1.80 0.14 115.31 119.32 2dba h LEU 115 Ca 0.52 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.58 2dba h LEU 115 Cb 0.91 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2dba h LEU 115 CO 1.31 0.29 0.58 0.44 0.09 0.00 0.00 178.44 181.15 2dba h ASP 116 N 0.69 0.96 0.04 -0.43 3.32 -1.96 -2.91 116.42 116.13 2dba h ASP 116 Ca 0.52 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.46 2dba h ASP 116 Cb 0.88 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.21 2dba h ASP 116 CO -0.28 0.67 -0.36 1.56 -1.72 0.00 0.00 179.24 179.11 2dba h GLN 117 N 1.12 0.18 -0.98 3.56 7.50 -1.21 -3.30 115.11 121.98 2dba h GLN 117 Ca 0.34 -0.24 0.41 0.00 0.50 0.00 0.00 58.65 59.65 2dba h GLN 117 Cb -0.04 0.08 -0.17 0.00 0.05 0.00 0.00 27.48 27.40 2dba h GLN 117 CO -0.09 1.04 0.53 0.00 -1.50 0.00 0.00 178.83 178.82 2dba n ALA 118 N -2.60 1.01 0.24 3.87 0.00 0.07 0.04 120.51 123.14 2dba n ALA 118 Ca -0.11 0.98 -0.15 0.00 0.00 0.00 0.00 53.44 54.16 2dba n ALA 118 Cb 0.60 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 0.51 -0.70 0.00 2.07 -1.61 -1.54 116.25 114.98 2dba h VAL 119 Ca 0.82 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 68.08 2dba h VAL 119 Cb 2.19 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 2dba h VAL 119 CO -0.73 0.06 0.33 -0.07 0.02 0.00 0.00 177.57 177.18 2dba h LEU 120 N -0.83 0.41 -0.11 2.57 3.38 -0.49 0.22 115.31 120.47 2dba h LEU 120 Ca -0.06 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2dba h LEU 120 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dba h LEU 120 CO 0.10 0.23 0.05 -0.78 0.09 0.00 0.00 178.44 178.13 2dba h ASP 121 N 0.56 0.07 -0.47 -0.43 1.82 -1.01 -2.86 116.42 114.10 2dba h ASP 121 Ca 0.35 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 2dba h ASP 121 Cb 0.40 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 2dba h ASP 121 CO -0.29 0.06 0.17 -0.07 -1.61 0.00 0.00 179.24 177.50 2dba h LEU 122 N 0.11 0.67 -0.99 2.28 3.38 -0.56 -2.81 115.31 117.38 2dba h LEU 122 Ca 0.04 -0.18 0.36 0.00 0.09 0.00 0.00 57.88 58.18 2dba h LEU 122 Cb 0.01 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 40.42 2dba h LEU 122 CO -0.03 0.67 0.51 1.56 0.09 0.00 0.00 178.44 181.24 2dba h GLN 123 N 0.62 0.16 0.38 1.13 4.20 -0.35 0.21 115.11 121.47 2dba h GLN 123 Ca 0.16 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2dba h GLN 123 Cb 0.23 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2dba h GLN 123 CO -0.01 0.11 -0.19 0.00 -0.67 0.00 0.00 178.83 178.07 2dba h ARG 124 N 0.17 -0.50 -0.91 1.46 3.08 -1.43 -3.10 114.38 113.15 2dba h ARG 124 Ca 0.77 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.94 2dba h ARG 124 Cb 1.86 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.91 2dba h ARG 124 CO -0.69 -0.33 -0.51 0.00 -1.07 0.00 0.00 179.97 177.36 2dba h VAL 126 N 0.00 0.46 0.74 0.00 2.07 -1.47 -1.28 116.25 116.76 2dba h VAL 126 Ca 0.17 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2dba h VAL 126 Cb 0.40 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2dba h VAL 126 CO -0.86 0.06 -0.50 -1.28 0.02 0.00 0.00 177.57 175.01 2dba h SER 127 N 0.30 -1.27 -0.51 0.57 0.87 0.19 -2.57 113.55 111.12 2dba h SER 127 Ca 0.62 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 61.32 2dba h SER 127 Cb 1.73 0.38 -0.06 0.00 -0.44 0.00 0.00 62.40 64.02 2dba h SER 127 CO -0.27 -0.74 0.20 -0.07 -0.53 0.00 0.00 176.83 175.42 2dba h LEU 128 N -1.17 0.22 -7.70 2.23 4.07 -1.04 -3.35 115.31 108.57 2dba h LEU 128 Ca -0.10 0.06 -0.66 0.00 0.08 0.00 0.00 57.88 57.25 2dba h LEU 128 Cb 0.95 0.03 -0.39 0.00 1.08 0.00 0.00 40.66 42.32 2dba h LEU 128 CO 0.07 0.15 -0.70 -1.61 -1.08 0.00 0.00 178.44 175.28 2dba s GLU 129 N -6.12 1.54 0.45 1.13 0.41 -0.73 -4.96 118.70 110.42 2dba s GLU 129 Ca -0.13 -1.88 0.24 0.00 -0.41 0.00 0.00 54.97 52.78 2dba s GLU 129 Cb 0.15 -3.25 1.02 0.00 -1.78 0.00 0.00 34.13 30.26 2dba s GLU 129 CO 0.73 -0.96 1.88 -1.00 -0.49 0.00 0.00 175.26 175.42 2dba h PRO 130 N 7.64 0.00 0.05 0.39 0.13 -1.61 -3.24 132.00 135.37 2dba h PRO 130 Ca -0.05 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.83 2dba h PRO 130 Cb 1.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 2dba h PRO 130 CO 0.54 0.23 -1.34 0.87 -0.23 0.00 0.00 178.00 178.07 2dba h LYS 131 N 0.00 0.11 -4.92 0.86 6.56 -1.93 -3.47 116.57 113.79 2dba h LYS 131 Ca -0.00 -0.19 -0.70 0.00 -1.06 0.00 0.00 60.65 58.70 2dba h LYS 131 Cb 0.66 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.39 2dba h LYS 131 CO 0.03 1.09 0.70 0.09 -2.06 0.00 0.00 179.45 179.31 2dba n ASN 132 N -4.14 0.89 -0.03 0.86 4.13 -1.22 -4.84 115.26 110.92 2dba n ASN 132 Ca -0.29 0.86 -0.21 0.00 1.68 0.00 0.00 54.58 56.63 2dba n ASN 132 Cb 0.79 -0.73 -0.13 0.00 -1.54 0.00 0.00 39.78 38.17 2dba n ASN 132 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2dba h LYS 133 N 4.98 0.17 -1.24 3.52 3.64 -1.90 -3.36 116.57 122.37 2dba h LYS 133 Ca -0.29 -0.29 0.40 0.00 -1.27 0.00 0.00 60.65 59.20 2dba h LYS 133 Cb 1.13 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 2dba h LYS 133 CO 0.83 1.14 0.84 0.28 -2.27 0.00 0.00 179.45 180.27 2dba n VAL 134 N -4.02 -0.13 -0.03 2.00 0.31 -1.26 0.21 118.33 115.42 2dba n VAL 134 Ca -0.27 1.32 -0.14 0.00 -0.01 0.00 0.00 64.34 65.24 2dba n VAL 134 Cb 0.85 -2.18 -0.10 0.00 -0.91 0.00 0.00 33.84 31.50 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 0.28 -0.05 3.52 0.04 -1.96 -2.80 116.94 115.97 2dba h PHE 135 Ca 0.70 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 61.38 2dba h PHE 135 Cb 2.48 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 40.56 2dba h PHE 135 CO -0.00 0.82 -0.08 1.96 -0.60 0.00 0.00 178.31 180.41 2dba h GLN 136 N -0.35 -0.11 -0.55 1.51 4.20 0.24 -1.72 115.11 118.33 2dba h GLN 136 Ca -0.01 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.77 2dba h GLN 136 Cb 0.84 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2dba h GLN 136 CO 0.04 -0.07 0.37 1.05 -0.67 0.00 0.00 178.83 179.54 2dba h GLU 137 N -0.11 0.46 0.73 1.46 4.11 -1.39 0.27 114.58 120.10 2dba h GLU 137 Ca 0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 2dba h GLU 137 Cb 0.18 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2dba h GLU 137 CO -0.11 0.31 -0.35 0.00 0.07 0.00 0.00 179.01 178.92 2dba h ALA 138 N 1.71 -0.98 -0.71 1.06 0.00 -1.05 0.12 119.26 119.41 2dba h ALA 138 Ca 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2dba h ALA 138 Cb 0.34 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2dba h ALA 138 CO -0.07 -0.95 0.22 1.25 0.00 0.00 0.00 179.25 179.70 2dba h LEU 139 N -1.17 1.03 -1.42 0.00 6.46 -1.11 -2.26 115.31 116.84 2dba h LEU 139 Ca -0.10 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.41 2dba h LEU 139 Cb 0.77 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2dba h LEU 139 CO 0.16 0.96 -0.29 0.03 -0.62 0.00 0.00 178.44 178.68 2dba h ARG 140 N 1.06 0.00 0.05 1.25 2.47 -0.47 0.41 114.38 119.14 2dba h ARG 140 Ca 0.23 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2dba h ARG 140 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2dba h ARG 140 CO -0.01 0.29 -0.03 -0.91 0.56 0.00 0.00 179.97 179.88 2dba h ASN 141 N 0.00 -0.06 0.16 7.04 4.21 -0.18 0.17 115.58 126.92 2dba h ASN 141 Ca -0.00 -0.42 -0.23 0.00 1.21 0.00 0.00 56.30 56.85 2dba h ASN 141 Cb 0.55 0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.78 2dba h ASN 141 CO 0.04 0.41 -0.92 0.16 -1.29 0.00 0.00 177.43 175.82 2dba h ILE 142 N -0.54 1.34 -0.35 2.81 3.07 -1.38 -3.28 117.51 119.18 2dba h ILE 142 Ca -0.01 -2.28 -0.14 0.00 1.55 0.00 0.00 64.86 63.98 2dba h ILE 142 Cb 0.48 2.31 -0.01 0.00 -0.27 0.00 0.00 36.82 39.33 2dba h ILE 142 CO 0.01 0.69 -0.34 -1.28 -1.05 0.00 0.00 178.15 176.19 2dba h SER 143 N 0.33 0.91 -1.35 2.16 0.87 -0.26 -3.45 113.55 112.76 2dba h SER 143 Ca -0.09 -0.46 -0.47 0.00 -1.23 0.00 0.00 61.79 59.54 2dba h SER 143 Cb 1.56 -0.26 0.05 0.00 -0.44 0.00 0.00 62.40 63.31 2dba h SER 143 CO 0.17 1.19 -0.05 -0.83 -0.53 0.00 0.00 176.83 176.78 2dba s GLY 144 N -3.77 1.76 0.38 5.77 0.00 0.60 -5.04 107.32 107.02 2dba s GLY 144 Ca -0.12 -1.94 -0.26 0.00 0.00 0.00 0.00 44.72 42.41 2dba s GLY 144 CO 0.86 -1.48 1.20 2.56 0.00 0.00 0.00 173.10 176.25 2dba s PRO 145 N -4.79 4.16 -0.01 2.90 0.04 -1.26 -4.75 135.00 131.29 2dba s PRO 145 Ca 0.62 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.55 2dba s PRO 145 Cb -0.06 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 2dba s PRO 145 CO 0.40 -0.26 -0.10 0.45 0.04 0.00 0.00 177.00 177.53 2dba n SER 146 N 0.33 1.03 -0.31 6.66 2.88 -1.26 -4.72 113.62 118.23 2dba n SER 146 Ca 0.03 0.15 0.07 0.00 -1.33 0.00 0.00 58.87 57.79 2dba n SER 146 Cb 0.45 -0.41 0.15 0.00 -0.75 0.00 0.00 64.21 63.65 2dba n SER 146 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dba n SER 147 N -3.49 -0.26 0.00 -3.46 7.64 -1.26 -5.23 113.62 107.56 2dba n SER 147 Ca -0.04 1.48 0.00 0.00 1.01 0.00 0.00 58.87 61.32 2dba n SER 147 Cb 0.15 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2dba n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64