#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 -0.13 0.27 1.61 0.15 -1.26 -5.19 113.70 109.15 2dba s SER 2 Ca 0.00 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.64 2dba s SER 2 Cb 0.00 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 2dba s SER 2 CO 0.00 -0.26 0.13 -0.94 1.20 0.00 0.00 173.24 173.36 2dba s SER 3 N -2.33 1.13 0.22 5.45 1.04 -1.26 -5.18 113.70 112.78 2dba s SER 3 Ca 0.10 -1.45 -0.11 0.00 0.48 0.00 0.00 55.95 54.96 2dba s SER 3 Cb -0.00 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.45 2dba s SER 3 CO -0.05 -0.81 0.58 0.61 0.98 0.00 0.00 173.24 174.55 2dba n GLY 4 N -0.47 1.16 3.30 7.32 0.00 -1.26 -5.19 105.19 110.05 2dba n GLY 4 Ca 0.01 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 2dba n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dba s SER 5 N -2.46 1.73 -0.02 1.61 1.04 -1.26 -5.10 113.70 109.24 2dba s SER 5 Ca 0.12 -1.77 -0.03 0.00 0.48 0.00 0.00 55.95 54.75 2dba s SER 5 Cb -0.03 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2dba s SER 5 CO 0.07 -1.10 0.33 0.77 0.98 0.00 0.00 173.24 174.29 2dba h SER 6 N 2.10 -0.10 -0.34 7.02 4.64 -2.10 -3.51 113.55 121.26 2dba h SER 6 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2dba h SER 6 Cb 1.23 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2dba h SER 6 CO 0.35 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 2dba n GLY 7 N 1.04 0.63 3.54 -0.77 0.00 -1.26 -5.09 105.19 103.28 2dba n GLY 7 Ca -0.01 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.47 0.79 0.12 1.61 -2.45 -1.26 -5.17 119.30 112.46 2dba s MET 8 Ca 0.00 0.79 0.10 0.00 -1.25 0.00 0.00 55.69 55.32 2dba s MET 8 Cb 0.00 0.38 -0.04 0.00 1.25 0.00 0.00 34.83 36.43 2dba s MET 8 CO 0.00 -0.12 -0.23 0.95 1.05 0.00 0.00 175.02 176.67 2dba s THR 9 N 0.09 2.54 -0.20 10.11 -4.23 -1.26 -5.13 115.64 117.56 2dba s THR 9 Ca -0.02 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 2dba s THR 9 Cb -0.04 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.72 2dba s THR 9 CO 0.02 0.12 0.51 -0.69 -0.54 0.00 0.00 174.62 174.04 2dba s VAL 10 N -1.08 -0.01 0.44 2.29 1.01 -1.26 -5.17 120.40 116.62 2dba s VAL 10 Ca 0.16 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2dba s VAL 10 Cb -0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2dba s VAL 10 CO 0.08 0.02 0.14 -0.44 0.00 0.00 0.00 175.10 174.89 2dba s SER 11 N 1.09 4.28 -0.42 3.32 0.01 -1.26 -5.12 113.70 115.61 2dba s SER 11 Ca -0.07 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 55.95 2dba s SER 11 Cb -0.06 -0.19 0.19 0.00 0.21 0.00 0.00 66.02 66.17 2dba s SER 11 CO -0.10 -0.64 0.85 -0.83 0.41 0.00 0.00 173.24 172.93 2dba s GLY 12 N -3.90 -1.48 1.13 3.44 0.00 -1.26 -5.17 107.32 100.09 2dba s GLY 12 Ca 0.33 0.21 -0.17 0.00 0.00 0.00 0.00 44.72 45.10 2dba s GLY 12 CO 0.18 3.92 1.10 2.56 0.00 0.00 0.00 173.10 180.87 2dba s PRO 13 N 1.25 -0.66 0.00 2.90 0.04 -1.26 -5.01 135.00 132.26 2dba s PRO 13 Ca 0.23 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2dba s PRO 13 Cb 0.03 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2dba s PRO 13 CO -0.08 -3.38 0.00 0.41 0.04 0.00 0.00 177.00 173.99 2dba n GLY 14 N -1.01 2.99 2.51 0.56 0.00 -1.26 -5.01 105.19 103.97 2dba n GLY 14 Ca 0.10 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 2dba n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dba n THR 15 N 1.14 1.94 -0.40 2.61 -2.24 -1.26 -5.02 114.28 111.05 2dba n THR 15 Ca 0.00 -5.11 0.00 0.00 -2.27 0.00 0.00 64.05 56.67 2dba n THR 15 Cb 0.00 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 2dba n THR 15 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dba n PRO 16 N 0.58 -0.65 -1.15 -0.78 -0.04 -1.26 -4.90 135.00 126.79 2dba n PRO 16 Ca 0.29 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.36 2dba n PRO 16 Cb 0.44 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 2dba n PRO 16 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dba n GLU 17 N -1.24 0.00 -2.06 0.54 0.28 -1.26 -4.68 120.64 112.22 2dba n GLU 17 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 2dba n GLU 17 Cb 0.00 -0.86 -0.06 0.00 1.43 0.00 0.00 31.44 31.95 2dba n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2dba s PRO 18 N -0.86 2.52 -0.08 3.44 0.04 -1.26 -4.94 135.00 133.86 2dba s PRO 18 Ca 0.53 -0.83 -0.01 0.00 0.04 0.00 0.00 61.00 60.73 2dba s PRO 18 Cb -0.65 -5.17 -0.03 0.00 0.04 0.00 0.00 34.50 28.69 2dba s PRO 18 CO 0.52 -3.75 -0.02 0.50 0.04 0.00 0.00 177.00 174.29 2dba s ARG 19 N 6.67 2.91 1.10 4.56 3.52 -1.26 -5.12 118.95 131.33 2dba s ARG 19 Ca 0.69 -0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 55.66 2dba s ARG 19 Cb -0.03 -2.73 0.27 0.00 -1.56 0.00 0.00 34.95 30.90 2dba s ARG 19 CO 0.08 0.69 0.97 -0.35 -0.81 0.00 0.00 175.30 175.88 2dba n PRO 20 N 2.16 -2.93 -3.57 5.12 -0.04 -1.26 -4.28 135.00 130.20 2dba n PRO 20 Ca -0.18 -1.56 -0.25 0.00 -0.04 0.00 0.00 63.50 61.47 2dba n PRO 20 Cb 0.53 -1.46 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 -4.68 -1.26 -3.11 0.55 0.00 -1.26 -4.99 120.51 105.75 2dba n ALA 21 Ca -0.18 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 2dba n ALA 21 Cb 0.52 -5.20 -0.12 0.00 0.00 0.00 0.00 19.45 14.66 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 -3.30 0.00 -1.52 0.00 -1.32 -1.26 -5.02 115.64 103.22 2dba s THR 22 Ca 0.56 -0.03 0.15 0.00 -1.21 0.00 0.00 61.69 61.16 2dba s THR 22 Cb -0.25 -0.33 0.29 0.00 -1.51 0.00 0.00 72.50 70.69 2dba s THR 22 CO 0.70 -0.02 1.40 -0.81 -2.21 0.00 0.00 174.62 173.68 2dba n PRO 23 N 2.87 0.25 -2.36 7.08 -0.04 -1.26 -3.92 135.00 137.63 2dba n PRO 23 Ca -0.13 0.12 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 2dba n PRO 23 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.03 5.63 2.91 0.55 0.00 -1.26 -4.76 105.19 108.22 2dba n GLY 24 Ca 0.08 -2.33 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 2dba n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba n ALA 25 N 0.98 6.49 -3.46 4.61 0.00 -1.25 -4.82 120.51 123.05 2dba n ALA 25 Ca 0.52 -4.13 -0.36 0.00 0.00 0.00 0.00 53.44 49.48 2dba n ALA 25 Cb 0.26 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.54 4.61 -4.05 0.00 7.64 -1.26 -4.64 113.62 115.38 2dba n SER 26 Ca 0.54 -3.26 -0.30 0.00 1.01 0.00 0.00 58.87 56.86 2dba n SER 26 Cb 0.24 -1.02 -0.16 0.00 -1.01 0.00 0.00 64.21 62.25 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 -0.95 2.70 0.62 6.43 0.01 -1.26 -4.99 113.70 116.26 2dba s SER 27 Ca 0.31 -0.50 0.32 0.00 1.31 0.00 0.00 55.95 57.40 2dba s SER 27 Cb -0.00 -1.21 1.81 0.00 0.21 0.00 0.00 66.02 66.84 2dba s SER 27 CO -0.05 -0.02 2.11 1.62 0.41 0.00 0.00 173.24 177.30 2dba h VAL 28 N 6.00 0.26 0.21 3.43 3.04 -1.89 0.87 116.25 128.16 2dba h VAL 28 Ca -0.37 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.04 2dba h VAL 28 Cb 1.15 0.83 0.03 0.00 -2.01 0.00 0.00 31.29 31.28 2dba h VAL 28 CO 0.53 0.00 -1.27 -0.33 -1.01 0.00 0.00 177.57 175.49 2dba h GLU 29 N 0.00 0.44 0.00 4.17 5.08 -1.94 -3.27 114.58 119.06 2dba h GLU 29 Ca 0.05 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 2dba h GLU 29 Cb 0.45 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2dba h GLU 29 CO -0.00 1.36 -0.23 0.94 -1.00 0.00 0.00 179.01 180.07 2dba n GLN 30 N -3.86 0.20 -0.51 2.33 7.27 -0.40 -4.29 117.38 118.11 2dba n GLN 30 Ca -0.17 0.34 0.42 0.00 0.07 0.00 0.00 57.00 57.67 2dba n GLN 30 Cb 1.00 -1.13 0.69 0.00 2.41 0.00 0.00 30.24 33.21 2dba n GLN 30 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 2dba n LEU 31 N -3.27 0.16 -0.32 1.69 -0.00 0.29 -0.04 117.00 115.51 2dba n LEU 31 Ca -0.03 1.27 0.23 0.00 -0.00 0.00 0.00 56.01 57.48 2dba n LEU 31 Cb 0.12 -0.62 0.43 0.00 -0.00 0.00 0.00 43.42 43.35 2dba n LEU 31 CO 0.05 -1.36 0.90 -1.14 -0.00 0.00 0.00 177.39 175.84 2dba n ARG 32 N -4.49 -0.07 -0.21 1.47 0.63 -1.23 0.16 116.66 112.92 2dba n ARG 32 Ca 0.40 1.39 -0.07 0.00 -0.92 0.00 0.00 57.85 58.65 2dba n ARG 32 Cb 1.63 -2.36 0.03 0.00 0.45 0.00 0.00 32.46 32.21 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 0.89 -1.23 -0.14 6.56 -0.71 -2.61 116.57 119.33 2dba h LYS 33 Ca 0.71 -0.16 0.39 0.00 -1.06 0.00 0.00 60.65 60.54 2dba h LYS 33 Cb 1.72 -0.15 -0.12 0.00 -0.57 0.00 0.00 32.23 33.11 2dba h LYS 33 CO -0.82 0.76 0.79 1.49 -2.06 0.00 0.00 179.45 179.60 2dba h GLU 34 N 0.83 0.15 0.06 3.15 4.57 0.15 0.21 114.58 123.71 2dba h GLU 34 Ca 0.20 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2dba h GLU 34 Cb 0.19 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2dba h GLU 34 CO -0.02 0.10 -0.03 0.78 -1.18 0.00 0.00 179.01 178.66 2dba h GLY 35 N 0.16 -0.08 0.22 1.92 0.00 -1.42 -3.11 103.07 100.76 2dba h GLY 35 Ca 0.77 0.03 0.11 0.00 0.00 0.00 0.00 47.33 48.24 2dba h GLY 35 CO -0.41 -0.03 0.13 3.43 0.00 0.00 0.00 176.54 179.66 2dba h ASN 36 N -0.97 0.02 -0.04 0.19 2.35 -1.07 0.19 115.58 116.25 2dba h ASN 36 Ca -0.01 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2dba h ASN 36 Cb 0.46 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 2dba h ASN 36 CO 0.01 0.02 0.03 1.05 -1.65 0.00 0.00 177.43 176.90 2dba h GLU 37 N 0.27 0.00 0.00 0.81 4.11 -0.78 -0.61 114.58 118.38 2dba h GLU 37 Ca 0.31 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.57 2dba h GLU 37 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2dba h GLU 37 CO -0.38 0.00 -0.80 -0.07 0.07 0.00 0.00 179.01 177.83 2dba h LEU 38 N 0.00 0.00 -0.02 3.06 3.38 -0.60 -3.30 115.31 117.84 2dba h LEU 38 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2dba h LEU 38 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2dba h LEU 38 CO -0.00 0.80 -0.12 0.15 0.09 0.00 0.00 178.44 179.35 2dba h PHE 39 N 0.00 0.15 0.00 1.13 3.57 -0.23 -0.47 116.94 121.09 2dba h PHE 39 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2dba h PHE 39 Cb 1.41 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2dba h PHE 39 CO 0.00 0.80 0.37 1.57 -2.23 0.00 0.00 178.31 178.81 2dba h LYS 40 N -0.53 0.00 0.00 1.11 2.10 -1.42 0.60 116.57 118.43 2dba h LYS 40 Ca -0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.49 2dba h LYS 40 Cb 0.82 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.12 2dba h LYS 40 CO 0.02 0.00 -1.99 0.00 -2.00 0.00 0.00 179.45 175.49 2dba n GLY 42 N 1.70 0.79 3.53 0.00 0.00 0.21 -5.04 105.19 106.38 2dba n GLY 42 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.57 -0.06 1.61 8.00 -0.25 -4.73 116.55 121.69 2dba n ASP 43 Ca 0.00 -0.72 -0.15 0.00 0.71 0.00 0.00 54.79 54.63 2dba n ASP 43 Cb 0.00 -1.15 -0.13 0.00 -0.02 0.00 0.00 41.12 39.81 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 13.27 0.05 -0.92 1.24 0.05 -1.94 -2.60 116.97 126.12 2dba h TYR 44 Ca -0.04 -0.04 0.27 0.00 0.05 0.00 0.00 58.73 58.97 2dba h TYR 44 Cb 1.14 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.85 2dba h TYR 44 CO 1.19 1.04 0.79 0.78 -1.05 0.00 0.00 178.16 180.91 2dba h GLY 45 N -0.94 0.00 0.00 3.88 0.00 -1.93 -2.45 103.07 101.63 2dba h GLY 45 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2dba h GLY 45 CO 0.01 0.00 -0.85 0.61 0.00 0.00 0.00 176.54 176.31 2dba n GLY 46 N -1.67 -0.86 0.28 4.60 0.00 -1.24 -3.84 105.19 102.45 2dba n GLY 46 Ca 0.19 -0.11 0.27 0.00 0.00 0.00 0.00 46.02 46.37 2dba n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba n ALA 47 N -3.69 0.87 -0.11 4.61 0.00 -0.98 0.21 120.51 121.41 2dba n ALA 47 Ca -0.16 0.88 -0.12 0.00 0.00 0.00 0.00 53.44 54.04 2dba n ALA 47 Cb 0.43 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 0.77 -0.63 0.00 7.12 -1.64 -2.71 115.31 118.21 2dba h LEU 48 Ca 0.72 -0.42 0.10 0.00 0.13 0.00 0.00 57.88 58.41 2dba h LEU 48 Cb 1.90 -0.21 -0.07 0.00 -0.53 0.00 0.00 40.66 41.74 2dba h LEU 48 CO -0.67 1.02 0.25 0.00 -0.13 0.00 0.00 178.44 178.91 2dba h ALA 49 N 0.77 0.83 0.24 1.25 0.00 0.23 -0.81 119.26 121.78 2dba h ALA 49 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2dba h ALA 49 Cb 0.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dba h ALA 49 CO 0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 179.25 179.03 2dba h ALA 50 N 1.43 -0.32 -0.64 0.00 0.00 -1.36 -2.67 119.26 115.69 2dba h ALA 50 Ca 0.32 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.27 2dba h ALA 50 Cb 0.39 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2dba h ALA 50 CO -0.30 -0.60 0.45 1.88 0.00 0.00 0.00 179.25 180.68 2dba h TYR 51 N -0.48 0.15 0.77 0.00 0.05 -1.13 -2.32 116.97 114.01 2dba h TYR 51 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 2dba h TYR 51 Cb 0.36 -0.05 0.01 0.00 1.01 0.00 0.00 36.73 38.06 2dba h TYR 51 CO -0.02 0.06 -0.37 1.15 -1.05 0.00 0.00 178.16 177.93 2dba h THR 52 N 0.13 0.09 -0.36 -2.88 2.02 -0.82 -2.89 112.91 108.18 2dba h THR 52 Ca 0.31 -0.20 0.08 0.00 0.77 0.00 0.00 66.41 67.36 2dba h THR 52 Cb 1.05 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.48 2dba h THR 52 CO -0.04 0.01 -0.27 1.56 0.37 0.00 0.00 175.52 177.15 2dba h GLN 53 N -1.22 -0.21 -0.97 6.66 4.20 -1.21 0.14 115.11 122.51 2dba h GLN 53 Ca -0.11 0.01 0.29 0.00 0.06 0.00 0.00 58.65 58.91 2dba h GLN 53 Cb 0.80 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 28.49 2dba h GLN 53 CO 0.17 -0.14 0.49 0.00 -0.67 0.00 0.00 178.83 178.69 2dba h ALA 54 N 0.89 1.76 -0.19 3.87 0.00 -1.49 0.77 119.26 124.87 2dba h ALA 54 Ca 0.17 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 2dba h ALA 54 Cb 0.49 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dba h ALA 54 CO -0.49 -0.50 -0.35 -0.07 0.00 0.00 0.00 179.25 177.85 2dba h LEU 55 N 0.34 0.41 -2.96 0.00 3.38 -0.77 -3.01 115.31 112.69 2dba h LEU 55 Ca 0.68 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.36 2dba h LEU 55 Cb 1.46 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 2dba h LEU 55 CO -0.60 0.73 0.17 0.61 0.09 0.00 0.00 178.44 179.44 2dba n GLY 56 N -0.23 2.99 3.09 0.83 0.00 0.27 -4.82 105.19 107.32 2dba n GLY 56 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.76 1.97 -0.92 0.99 1.43 -1.14 -5.01 118.68 115.24 2dba s LEU 57 Ca 0.13 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.36 2dba s LEU 57 Cb 0.10 0.47 -0.17 0.00 0.03 0.00 0.00 46.19 46.63 2dba s LEU 57 CO 0.01 -0.50 2.26 -1.81 0.23 0.00 0.00 176.35 176.53 2dba s ASP 58 N -2.19 3.79 -0.00 2.29 1.01 -1.26 -4.88 116.67 115.43 2dba s ASP 58 Ca -0.04 -0.44 0.08 0.00 0.71 0.00 0.00 52.55 52.86 2dba s ASP 58 Cb -0.01 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2dba s ASP 58 CO -0.05 -4.16 -0.25 0.00 0.21 0.00 0.00 175.17 170.92 2dba s ALA 59 N 15.37 2.23 0.94 5.23 0.00 -1.26 -5.03 121.76 139.23 2dba s ALA 59 Ca 0.86 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 2dba s ALA 59 Cb -0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2dba s ALA 59 CO 0.12 0.53 0.15 0.25 0.00 0.00 0.00 175.76 176.81 2dba n THR 60 N 2.24 0.11 0.48 0.00 -2.24 -1.26 -4.75 114.28 108.86 2dba n THR 60 Ca -0.16 -0.27 0.07 0.00 -2.27 0.00 0.00 64.05 61.42 2dba n THR 60 Cb 0.51 -0.49 0.32 0.00 -2.10 0.00 0.00 70.33 68.58 2dba n THR 60 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dba n PRO 61 N -0.70 0.02 0.01 -0.78 -0.04 -1.26 -2.27 135.00 129.98 2dba n PRO 61 Ca 0.05 0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 2dba n PRO 61 Cb 0.54 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2dba n PRO 61 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dba n GLN 62 N -1.58 0.64 0.13 0.54 3.00 -1.26 -4.08 117.38 114.77 2dba n GLN 62 Ca 0.03 0.06 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 2dba n GLN 62 Cb 0.17 -1.69 -0.15 0.00 0.00 0.00 0.00 30.24 28.57 2dba n GLN 62 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2dba h ASP 63 N 0.00 0.67 0.61 1.08 3.32 -1.78 -3.34 116.42 116.97 2dba h ASP 63 Ca -0.15 -0.73 -0.02 0.00 0.02 0.00 0.00 57.03 56.15 2dba h ASP 63 Cb 1.42 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2dba h ASP 63 CO 0.02 1.57 -0.44 1.56 -1.72 0.00 0.00 179.24 180.24 2dba h GLN 64 N 0.12 -0.97 -1.06 3.56 7.50 -1.70 -2.24 115.11 120.32 2dba h GLN 64 Ca -0.21 0.07 0.41 0.00 0.50 0.00 0.00 58.65 59.41 2dba h GLN 64 Cb 2.09 0.22 -0.17 0.00 0.05 0.00 0.00 27.48 29.68 2dba h GLN 64 CO 0.25 -0.65 0.60 0.00 -1.50 0.00 0.00 178.83 177.53 2dba h ALA 65 N -0.78 2.24 0.41 3.87 0.00 -1.71 0.24 119.26 123.52 2dba h ALA 65 Ca -0.07 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2dba h ALA 65 Cb 0.84 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2dba h ALA 65 CO 0.03 -0.98 -0.20 0.28 0.00 0.00 0.00 179.25 178.39 2dba h VAL 66 N 0.06 0.55 -0.19 0.00 2.07 -1.54 -2.37 116.25 114.84 2dba h VAL 66 Ca 0.83 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.96 2dba h VAL 66 Cb 2.23 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2dba h VAL 66 CO -0.68 0.08 0.21 -0.07 0.02 0.00 0.00 177.57 177.12 2dba h LEU 67 N -0.82 0.00 0.13 2.57 3.38 -0.20 -2.02 115.31 118.34 2dba h LEU 67 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2dba h LEU 67 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dba h LEU 67 CO 0.09 0.00 -0.06 0.45 0.09 0.00 0.00 178.44 179.01 2dba h HIS 68 N 0.00 -0.16 -0.07 1.13 3.86 -0.79 -2.58 115.15 116.53 2dba h HIS 68 Ca 0.09 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2dba h HIS 68 Cb 0.50 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 2dba h HIS 68 CO 0.00 0.30 0.08 0.07 0.86 0.00 0.00 177.93 179.24 2dba h ARG 69 N -0.74 0.00 0.14 2.45 0.11 -0.86 -2.55 114.38 112.94 2dba h ARG 69 Ca -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2dba h ARG 69 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 2dba h ARG 69 CO 0.03 0.00 -0.07 -0.91 0.10 0.00 0.00 179.97 179.12 2dba h ASN 70 N 0.00 -0.16 -0.78 0.08 4.21 -1.38 -3.31 115.58 114.24 2dba h ASN 70 Ca 0.03 -0.38 0.15 0.00 1.21 0.00 0.00 56.30 57.31 2dba h ASN 70 Cb 0.19 0.04 -0.15 0.00 -1.12 0.00 0.00 38.32 37.28 2dba h ASN 70 CO -0.00 0.39 -0.24 0.03 -1.29 0.00 0.00 177.43 176.32 2dba h ARG 71 N -0.82 -0.03 -0.94 0.81 3.08 -1.04 0.12 114.38 115.56 2dba h ARG 71 Ca -0.02 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.27 2dba h ARG 71 Cb 0.54 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 30.42 2dba h ARG 71 CO 0.03 -0.02 -0.04 0.00 -1.07 0.00 0.00 179.97 178.87 2dba n ALA 72 N -3.30 0.41 0.09 0.04 0.00 -1.16 -0.03 120.51 116.57 2dba n ALA 72 Ca 0.10 1.01 -0.13 0.00 0.00 0.00 0.00 53.44 54.42 2dba n ALA 72 Cb 0.40 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2dba n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dba h ALA 73 N 1.87 -0.54 -0.50 0.00 0.00 -0.89 -0.68 119.26 118.52 2dba h ALA 73 Ca 0.54 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.49 2dba h ALA 73 Cb 1.05 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 2dba h ALA 73 CO -0.90 -0.87 -0.39 0.00 0.00 0.00 0.00 179.25 177.09 2dba h HIS 75 N -0.24 -0.20 -0.43 0.00 3.86 -1.13 -0.52 115.15 116.48 2dba h HIS 75 Ca 0.18 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.50 2dba h HIS 75 Cb 0.56 0.12 -0.09 0.00 1.06 0.00 0.00 27.41 29.06 2dba h HIS 75 CO -0.63 -0.14 -0.25 -0.07 0.86 0.00 0.00 177.93 177.70 2dba h LEU 76 N -0.05 -0.85 -1.45 2.43 3.38 0.20 0.29 115.31 119.26 2dba h LEU 76 Ca 0.11 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2dba h LEU 76 Cb 0.22 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2dba h LEU 76 CO -0.25 -0.27 0.06 0.11 0.09 0.00 0.00 178.44 178.18 2dba h LYS 77 N -0.17 0.42 -1.76 1.13 1.79 -0.77 -2.71 116.57 114.50 2dba h LYS 77 Ca 0.20 -0.06 -0.44 0.00 -2.18 0.00 0.00 60.65 58.17 2dba h LYS 77 Cb 0.48 -0.08 -0.17 0.00 -1.58 0.00 0.00 32.23 30.89 2dba h LYS 77 CO -0.53 0.40 0.43 1.28 -1.08 0.00 0.00 179.45 179.94 2dba n LEU 78 N -4.36 6.53 -3.72 2.94 4.77 0.40 -4.83 117.00 118.72 2dba n LEU 78 Ca 0.01 -3.77 -0.21 0.00 -0.03 0.00 0.00 56.01 52.01 2dba n LEU 78 Cb 0.18 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.05 2dba n LEU 78 CO 0.37 1.52 -0.32 1.21 -1.33 0.00 0.00 177.39 178.84 2dba n GLU 79 N 0.58 -0.95 -2.56 3.23 0.00 -1.02 -4.80 120.64 115.11 2dba n GLU 79 Ca 0.42 0.06 -0.18 0.00 0.00 0.00 0.00 57.16 57.46 2dba n GLU 79 Cb 0.57 -2.38 0.02 0.00 0.00 0.00 0.00 31.44 29.64 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2dba n ASP 80 N -1.83 3.16 -0.18 4.31 8.00 0.73 -4.87 116.55 125.87 2dba n ASP 80 Ca -0.22 -3.23 0.00 0.00 0.71 0.00 0.00 54.79 52.06 2dba n ASP 80 Cb 0.47 -0.49 0.25 0.00 -0.02 0.00 0.00 41.12 41.33 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 2.76 0.89 -0.42 1.24 -1.99 -1.83 -1.87 116.97 115.75 2dba h TYR 81 Ca 0.11 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.92 2dba h TYR 81 Cb 1.06 -0.29 -0.09 0.00 2.00 0.00 0.00 36.73 39.40 2dba h TYR 81 CO 0.67 0.60 -0.28 -0.44 -0.00 0.00 0.00 178.16 178.70 2dba h ASP 82 N 0.93 -0.95 0.17 3.88 5.19 -1.89 -1.41 116.42 122.35 2dba h ASP 82 Ca 0.24 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.83 2dba h ASP 82 Cb -0.03 0.47 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2dba h ASP 82 CO -0.04 -0.29 -0.08 0.11 -3.12 0.00 0.00 179.24 175.81 2dba h LYS 83 N -0.20 -0.22 -0.88 3.56 1.57 -1.92 -3.23 116.57 115.25 2dba h LYS 83 Ca 0.19 0.02 0.28 0.00 -1.87 0.00 0.00 60.65 59.26 2dba h LYS 83 Cb 0.51 0.05 -0.16 0.00 0.08 0.00 0.00 32.23 32.71 2dba h LYS 83 CO -0.54 0.19 0.15 0.00 -0.57 0.00 0.00 179.45 178.68 2dba n ALA 84 N -2.49 0.58 -0.19 3.86 0.00 -0.73 0.11 120.51 121.65 2dba n ALA 84 Ca -0.08 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.28 2dba n ALA 84 Cb 0.26 -0.75 0.09 0.00 0.00 0.00 0.00 19.45 19.05 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 0.36 0.00 4.57 -1.28 -1.08 114.58 117.24 2dba h GLU 85 Ca 0.59 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.76 2dba h GLU 85 Cb 1.35 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.90 2dba h GLU 85 CO -0.78 0.06 -0.29 1.15 -1.18 0.00 0.00 179.01 177.97 2dba h THR 86 N 0.09 0.39 -0.02 0.32 2.02 0.62 -2.94 112.91 113.40 2dba h THR 86 Ca 0.30 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.50 2dba h THR 86 Cb 0.48 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2dba h THR 86 CO -0.52 0.00 -0.39 -0.33 0.37 0.00 0.00 175.52 174.65 2dba h GLU 87 N -0.66 -0.46 -0.72 6.66 4.39 -1.20 -1.79 114.58 120.80 2dba h GLU 87 Ca -0.03 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.78 2dba h GLU 87 Cb 0.58 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.24 2dba h GLU 87 CO -0.02 -0.30 -0.40 0.00 -1.16 0.00 0.00 179.01 177.13 2dba n ALA 88 N -2.84 -0.39 -0.01 3.43 0.00 -0.47 0.49 120.51 120.72 2dba n ALA 88 Ca -0.05 0.64 -0.09 0.00 0.00 0.00 0.00 53.44 53.94 2dba n ALA 88 Cb 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.53 -0.62 0.00 0.87 -1.27 -2.05 113.55 109.95 2dba h SER 89 Ca 0.14 0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.93 2dba h SER 89 Cb 0.32 0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.43 2dba h SER 89 CO -0.69 -0.21 -0.00 0.11 -0.53 0.00 0.00 176.83 175.51 2dba h LYS 90 N -0.20 0.11 0.00 2.24 1.57 0.90 0.71 116.57 121.90 2dba h LYS 90 Ca 0.10 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2dba h LYS 90 Cb 0.35 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2dba h LYS 90 CO -0.27 0.07 -0.01 0.00 -0.57 0.00 0.00 179.45 178.68 2dba h ALA 91 N 1.57 1.08 0.00 3.86 0.00 -0.33 -2.03 119.26 123.41 2dba h ALA 91 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dba h ALA 91 Cb 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dba h ALA 91 CO -0.54 0.01 -0.28 0.82 0.00 0.00 0.00 179.25 179.26 2dba h ILE 92 N 0.00 0.03 0.00 0.00 2.04 0.85 -3.34 117.51 117.09 2dba h ILE 92 Ca -0.00 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2dba h ILE 92 Cb 0.08 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 2dba h ILE 92 CO 0.00 0.01 0.20 1.05 0.00 0.00 0.00 178.15 179.41 2dba h GLU 93 N -1.00 0.00 0.45 2.37 4.11 -0.86 1.76 114.58 121.41 2dba h GLU 93 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2dba h GLU 93 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2dba h GLU 93 CO -0.00 0.00 -0.22 0.87 0.07 0.00 0.00 179.01 179.73 2dba h LYS 94 N 0.00 -0.59 0.00 1.06 1.79 -1.49 -3.41 116.57 113.93 2dba h LYS 94 Ca 0.00 0.04 -0.24 0.00 -2.18 0.00 0.00 60.65 58.27 2dba h LYS 94 Cb 0.40 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 2dba h LYS 94 CO 0.00 -0.35 -1.92 -0.40 -1.08 0.00 0.00 179.45 175.70 2dba n ASP 95 N -5.19 2.53 0.00 0.86 5.75 -0.81 -5.04 116.55 114.66 2dba n ASP 95 Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2dba n ASP 95 Cb 0.26 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dba n GLY 96 N 2.61 2.79 2.44 6.12 0.00 0.59 -4.87 105.19 114.86 2dba n GLY 96 Ca -0.27 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 4.96 2.70 -0.02 0.00 -1.26 -4.75 105.19 106.81 2dba n GLY 97 Ca 0.00 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 2dba n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dba n ASP 98 N 2.13 2.70 0.25 1.61 -0.08 -1.26 -4.91 116.55 116.99 2dba n ASP 98 Ca 0.66 -3.16 0.17 0.00 -1.51 0.00 0.00 54.79 50.95 2dba n ASP 98 Cb 0.26 -0.71 0.89 0.00 2.34 0.00 0.00 41.12 43.90 2dba n ASP 98 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2dba h VAL 99 N 4.00 0.44 0.25 5.18 -1.51 -1.95 -2.59 116.25 120.07 2dba h VAL 99 Ca 0.17 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.65 2dba h VAL 99 Cb 0.75 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 30.78 2dba h VAL 99 CO 0.70 0.00 -0.35 0.11 -1.23 0.00 0.00 177.57 176.80 2dba h LYS 100 N 0.00 -0.64 -0.11 5.19 1.79 -1.97 -1.55 116.57 119.28 2dba h LYS 100 Ca 0.05 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 2dba h LYS 100 Cb 0.29 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2dba h LYS 100 CO -0.00 -0.43 -0.13 0.00 -1.08 0.00 0.00 179.45 177.82 2dba h ALA 101 N -0.14 1.60 0.04 3.86 0.00 -1.80 -2.89 119.26 119.92 2dba h ALA 101 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2dba h ALA 101 Cb 0.64 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dba h ALA 101 CO -0.13 0.29 -0.06 -0.07 0.00 0.00 0.00 179.25 179.29 2dba h LEU 102 N 0.16 -0.15 -1.30 0.00 3.38 -1.25 0.16 115.31 116.31 2dba h LEU 102 Ca 0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dba h LEU 102 Cb 0.32 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2dba h LEU 102 CO 0.02 -0.09 0.48 0.22 0.09 0.00 0.00 178.44 179.16 2dba h TYR 103 N -0.12 0.90 -0.06 1.13 3.20 -1.11 -2.67 116.97 118.24 2dba h TYR 103 Ca 0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2dba h TYR 103 Cb 0.13 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2dba h TYR 103 CO -0.11 0.56 -0.04 0.00 -1.64 0.00 0.00 178.16 176.93 2dba h ARG 104 N 0.96 0.14 -0.93 1.82 2.47 -1.27 -3.15 114.38 114.42 2dba h ARG 104 Ca 0.27 -0.07 0.21 0.00 -1.26 0.00 0.00 59.98 59.13 2dba h ARG 104 Cb -0.09 -0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.11 2dba h ARG 104 CO -0.06 0.55 0.47 -0.09 0.56 0.00 0.00 179.97 181.40 2dba h ARG 105 N -0.28 0.51 -0.79 0.04 2.43 -0.39 0.11 114.38 116.02 2dba h ARG 105 Ca 0.01 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.27 2dba h ARG 105 Cb 0.52 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.87 2dba h ARG 105 CO 0.01 0.34 0.40 0.66 -1.51 0.00 0.00 179.97 179.87 2dba h SER 106 N 0.52 0.51 -0.48 -3.80 4.64 -1.44 -1.11 113.55 112.39 2dba h SER 106 Ca 0.57 0.07 0.07 0.00 -0.47 0.00 0.00 61.79 62.03 2dba h SER 106 Cb 1.02 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 2dba h SER 106 CO -0.47 0.26 0.15 1.56 -0.87 0.00 0.00 176.83 177.46 2dba h GLN 107 N 0.63 0.30 -0.61 4.77 4.20 -0.84 0.17 115.11 123.73 2dba h GLN 107 Ca 0.40 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 59.02 2dba h GLN 107 Cb 0.49 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2dba h GLN 107 CO -0.31 0.20 0.09 0.00 -0.67 0.00 0.00 178.83 178.14 2dba h ALA 108 N 1.34 1.01 0.67 3.87 0.00 -1.20 -2.26 119.26 122.69 2dba h ALA 108 Ca 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2dba h ALA 108 Cb 0.26 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dba h ALA 108 CO -0.26 0.63 -0.32 -0.07 0.00 0.00 0.00 179.25 179.23 2dba h LEU 109 N 0.93 -0.76 -1.97 0.00 3.38 -0.34 -0.13 115.31 116.42 2dba h LEU 109 Ca 0.19 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.37 2dba h LEU 109 Cb 0.41 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2dba h LEU 109 CO 0.01 -0.39 0.56 -0.33 0.09 0.00 0.00 178.44 178.38 2dba h GLU 110 N -1.19 0.00 0.02 1.13 5.08 -0.73 0.87 114.58 119.76 2dba h GLU 110 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2dba h GLU 110 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2dba h GLU 110 CO 0.15 0.00 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.93 2dba h LYS 111 N 0.00 -0.02 0.00 2.33 1.63 -1.24 -3.26 116.57 116.01 2dba h LYS 111 Ca 0.33 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.13 2dba h LYS 111 Cb 1.46 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.09 2dba h LYS 111 CO -0.00 0.75 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.65 2dba h LEU 112 N -0.89 0.00 0.00 5.20 3.38 0.21 -3.45 115.31 119.75 2dba h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dba h LEU 112 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2dba h LEU 112 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2dba n GLY 113 N -0.98 1.56 2.89 0.83 0.00 0.10 -5.05 105.19 104.54 2dba n GLY 113 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.41 3.46 0.30 1.61 1.74 -0.06 -4.84 116.66 118.46 2dba n ARG 114 Ca 0.00 -4.83 0.15 0.00 -0.77 0.00 0.00 57.85 52.40 2dba n ARG 114 Cb 0.00 -2.26 0.91 0.00 -1.02 0.00 0.00 32.46 30.08 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 3.07 0.00 -0.81 0.55 3.38 -1.88 -1.39 115.31 118.23 2dba h LEU 115 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2dba h LEU 115 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2dba h LEU 115 CO 0.86 0.01 0.13 0.44 0.09 0.00 0.00 178.44 179.96 2dba h ASP 116 N 0.00 0.96 0.14 -0.43 3.32 -1.96 -3.10 116.42 115.35 2dba h ASP 116 Ca -0.00 -0.21 -0.21 0.00 0.02 0.00 0.00 57.03 56.64 2dba h ASP 116 Cb 0.02 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.33 2dba h ASP 116 CO 0.00 0.95 -0.94 1.56 -1.72 0.00 0.00 179.24 179.09 2dba h GLN 117 N 0.96 0.29 -1.26 3.56 7.50 -1.70 -3.32 115.11 121.14 2dba h GLN 117 Ca 0.20 -0.49 0.42 0.00 0.50 0.00 0.00 58.65 59.27 2dba h GLN 117 Cb 0.38 0.18 -0.13 0.00 0.05 0.00 0.00 27.48 27.96 2dba h GLN 117 CO 0.01 1.24 0.80 0.00 -1.50 0.00 0.00 178.83 179.37 2dba h ALA 118 N 0.05 2.61 0.40 3.87 0.00 -1.30 0.16 119.26 125.06 2dba h ALA 118 Ca -0.18 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2dba h ALA 118 Cb 1.67 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2dba h ALA 118 CO 0.13 -1.24 -0.19 0.28 0.00 0.00 0.00 179.25 178.23 2dba h VAL 119 N 0.11 0.52 -0.25 0.00 2.07 -1.64 -1.00 116.25 116.06 2dba h VAL 119 Ca 0.81 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.88 2dba h VAL 119 Cb 2.44 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.87 2dba h VAL 119 CO -0.46 0.08 -0.18 -0.07 0.02 0.00 0.00 177.57 176.96 2dba h LEU 120 N -0.87 -0.59 -0.60 2.57 3.38 -0.86 0.56 115.31 118.91 2dba h LEU 120 Ca -0.06 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2dba h LEU 120 Cb 0.55 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2dba h LEU 120 CO 0.09 -0.22 0.35 0.44 0.09 0.00 0.00 178.44 179.20 2dba h ASP 121 N -0.17 0.56 0.40 -0.43 3.32 -1.27 -1.63 116.42 117.21 2dba h ASP 121 Ca 0.14 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 2dba h ASP 121 Cb 0.38 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2dba h ASP 121 CO -0.35 0.38 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.09 2dba h LEU 122 N 0.69 0.00 -2.15 1.55 3.38 -0.28 -2.37 115.31 116.13 2dba h LEU 122 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2dba h LEU 122 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2dba h LEU 122 CO -0.13 0.39 0.00 1.56 0.09 0.00 0.00 178.44 180.36 2dba h GLN 123 N 0.00 0.00 0.00 1.13 1.08 0.11 -2.92 115.11 114.51 2dba h GLN 123 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2dba h GLN 123 Cb 0.70 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 2dba h GLN 123 CO 0.05 0.00 -0.50 0.00 -0.95 0.00 0.00 178.83 177.43 2dba h ARG 124 N 0.00 0.00 -0.20 1.46 3.08 -1.33 -3.24 114.38 114.15 2dba h ARG 124 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2dba h ARG 124 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2dba h ARG 124 CO 0.00 0.40 0.61 0.00 -1.07 0.00 0.00 179.97 179.91 2dba h VAL 126 N 0.00 1.16 0.28 0.00 2.07 -1.64 -3.16 116.25 114.97 2dba h VAL 126 Ca 0.10 -2.91 -0.01 0.00 0.82 0.00 0.00 66.70 64.69 2dba h VAL 126 Cb 1.31 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 2dba h VAL 126 CO -0.00 0.66 -0.14 -1.28 0.02 0.00 0.00 177.57 176.84 2dba h SER 127 N 0.00 -0.32 0.16 0.57 0.87 0.12 -3.18 113.55 111.76 2dba h SER 127 Ca -0.15 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2dba h SER 127 Cb 1.85 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 2dba h SER 127 CO 0.10 0.16 0.00 -0.07 -0.53 0.00 0.00 176.83 176.49 2dba h LEU 128 N -1.01 0.00 -6.91 2.23 3.38 -1.59 -3.34 115.31 108.07 2dba h LEU 128 Ca -0.04 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.35 2dba h LEU 128 Cb 0.45 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.80 2dba h LEU 128 CO 0.06 0.00 -0.78 -1.61 0.09 0.00 0.00 178.44 176.21 2dba s GLU 129 N -3.96 0.68 0.08 1.13 2.02 -1.19 -5.00 118.70 112.47 2dba s GLU 129 Ca -0.03 -1.21 -0.16 0.00 0.02 0.00 0.00 54.97 53.58 2dba s GLU 129 Cb 0.11 -1.72 -0.10 0.00 0.10 0.00 0.00 34.13 32.52 2dba s GLU 129 CO 0.39 -1.08 1.40 -1.00 0.02 0.00 0.00 175.26 174.99 2dba h PRO 130 N 7.62 0.61 -0.22 0.39 0.13 -1.68 -3.24 132.00 135.62 2dba h PRO 130 Ca -0.08 -0.32 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 2dba h PRO 130 Cb 0.98 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2dba h PRO 130 CO 0.42 0.91 -0.60 0.87 -0.23 0.00 0.00 178.00 179.37 2dba h LYS 131 N 0.33 0.73 -5.14 0.86 1.57 -1.94 -3.42 116.57 109.55 2dba h LYS 131 Ca 0.04 -0.49 -0.28 0.00 -1.87 0.00 0.00 60.65 58.05 2dba h LYS 131 Cb 0.80 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 2dba h LYS 131 CO 0.06 1.11 1.39 0.09 -0.57 0.00 0.00 179.45 181.53 2dba n ASN 132 N -3.97 -0.05 0.03 0.86 5.03 -1.22 -4.71 115.26 111.24 2dba n ASN 132 Ca -0.04 -0.73 -0.14 0.00 0.87 0.00 0.00 54.58 54.53 2dba n ASN 132 Cb 0.65 -0.98 -0.03 0.00 -1.02 0.00 0.00 39.78 38.39 2dba n ASN 132 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2dba h LYS 133 N 12.21 0.56 -1.89 3.52 3.64 -1.88 -3.20 116.57 129.54 2dba h LYS 133 Ca -0.00 -0.50 0.55 0.00 -1.27 0.00 0.00 60.65 59.42 2dba h LYS 133 Cb 1.12 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 2dba h LYS 133 CO 1.39 1.13 1.41 0.28 -2.27 0.00 0.00 179.45 181.39 2dba n VAL 134 N -3.85 0.00 -0.05 2.00 0.31 -1.26 0.07 118.33 115.55 2dba n VAL 134 Ca -0.07 1.47 -0.06 0.00 -0.01 0.00 0.00 64.34 65.67 2dba n VAL 134 Cb 0.77 -2.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.17 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 -0.02 -0.68 3.52 0.04 -1.92 -3.08 116.94 114.80 2dba h PHE 135 Ca 0.90 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.80 2dba h PHE 135 Cb 3.72 0.01 -0.10 0.00 2.20 0.00 0.00 35.95 41.77 2dba h PHE 135 CO 0.00 0.41 0.17 1.96 -0.60 0.00 0.00 178.31 180.25 2dba h GLN 136 N -0.99 0.28 -0.32 1.51 4.20 -0.50 0.51 115.11 119.79 2dba h GLN 136 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2dba h GLN 136 Cb 0.44 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2dba h GLN 136 CO 0.00 0.18 0.13 1.05 -0.67 0.00 0.00 178.83 179.52 2dba h GLU 137 N 0.29 0.44 0.08 1.46 4.11 -1.26 0.15 114.58 119.85 2dba h GLU 137 Ca 0.37 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.50 2dba h GLU 137 Cb 0.59 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2dba h GLU 137 CO -0.45 0.37 -1.13 0.00 0.07 0.00 0.00 179.01 177.87 2dba h ALA 138 N 1.70 0.21 0.29 1.06 0.00 -0.56 -3.26 119.26 118.70 2dba h ALA 138 Ca 0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2dba h ALA 138 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dba h ALA 138 CO -0.01 1.02 -0.14 1.25 0.00 0.00 0.00 179.25 181.37 2dba h LEU 139 N 0.07 -0.33 -1.09 0.00 5.85 0.41 -3.20 115.31 117.02 2dba h LEU 139 Ca -0.09 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2dba h LEU 139 Cb 1.85 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 2dba h LEU 139 CO 0.18 0.11 0.71 0.03 -0.34 0.00 0.00 178.44 179.13 2dba h ARG 140 N -1.09 0.00 0.51 1.25 3.08 -0.89 0.53 114.38 117.77 2dba h ARG 140 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2dba h ARG 140 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.36 2dba h ARG 140 CO 0.07 0.00 -0.25 -0.91 -1.07 0.00 0.00 179.97 177.81 2dba h ASN 141 N 0.00 -0.58 0.11 7.04 2.35 -1.59 -1.70 115.58 121.22 2dba h ASN 141 Ca 0.08 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 2dba h ASN 141 Cb 1.50 0.15 0.02 0.00 0.05 0.00 0.00 38.32 40.04 2dba h ASN 141 CO -0.00 -0.21 -0.70 0.16 -1.65 0.00 0.00 177.43 175.03 2dba h ILE 142 N -1.09 1.54 -0.66 2.81 3.07 -1.13 -3.32 117.51 118.73 2dba h ILE 142 Ca -0.07 -2.50 0.02 0.00 1.55 0.00 0.00 64.86 63.86 2dba h ILE 142 Cb 0.53 3.21 -0.03 0.00 -0.27 0.00 0.00 36.82 40.25 2dba h ILE 142 CO 0.12 0.70 0.44 -1.28 -1.05 0.00 0.00 178.15 177.07 2dba h SER 143 N -0.49 0.73 -4.07 2.16 0.87 -0.19 -3.43 113.55 109.13 2dba h SER 143 Ca -0.13 -0.02 -0.49 0.00 -1.23 0.00 0.00 61.79 59.93 2dba h SER 143 Cb 1.53 -0.18 0.05 0.00 -0.44 0.00 0.00 62.40 63.36 2dba h SER 143 CO 0.12 0.52 0.42 -0.83 -0.53 0.00 0.00 176.83 176.52 2dba s GLY 144 N -3.48 2.60 -0.77 5.77 0.00 -0.64 -4.93 107.32 105.88 2dba s GLY 144 Ca -0.10 0.74 -0.25 0.00 0.00 0.00 0.00 44.72 45.11 2dba s GLY 144 CO 0.77 1.10 1.90 2.56 0.00 0.00 0.00 173.10 179.43 2dba s PRO 145 N -3.17 2.59 -1.62 2.90 0.04 -1.26 -3.95 135.00 130.52 2dba s PRO 145 Ca 0.69 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 2dba s PRO 145 Cb -0.21 -4.75 0.14 0.00 0.04 0.00 0.00 34.50 29.71 2dba s PRO 145 CO 0.25 -3.08 0.34 0.45 0.04 0.00 0.00 177.00 175.00 2dba n SER 146 N 13.39 -0.69 -3.95 6.66 2.88 -1.26 -4.87 113.62 125.77 2dba n SER 146 Ca 0.31 -1.16 -0.30 0.00 -1.33 0.00 0.00 58.87 56.38 2dba n SER 146 Cb 0.49 -1.47 -0.14 0.00 -0.75 0.00 0.00 64.21 62.34 2dba n SER 146 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dba s SER 147 N -3.54 4.47 0.00 -3.46 0.15 -1.25 -5.20 113.70 104.86 2dba s SER 147 Ca 0.48 -2.51 0.03 0.00 0.70 0.00 0.00 55.95 54.65 2dba s SER 147 Cb -0.28 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 2dba s SER 147 CO 0.94 -0.31 0.59 0.61 1.20 0.00 0.00 173.24 176.27