#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 -0.00 0.28 1.61 0.15 -1.26 -5.19 113.70 109.29 2dba s SER 2 Ca 0.00 -1.04 0.04 0.00 0.70 0.00 0.00 55.95 55.65 2dba s SER 2 Cb 0.00 0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 65.08 2dba s SER 2 CO 0.00 -1.58 0.22 -0.94 1.20 0.00 0.00 173.24 172.14 2dba s SER 3 N -3.04 1.13 0.00 5.45 1.04 -1.26 -5.16 113.70 111.86 2dba s SER 3 Ca 0.15 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2dba s SER 3 Cb -0.05 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2dba s SER 3 CO 0.11 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2dba n GLY 4 N -0.50 4.36 3.63 7.32 0.00 -1.26 -5.17 105.19 113.57 2dba n GLY 4 Ca 0.05 -1.46 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 -0.27 0.33 1.61 1.04 -1.26 -5.19 113.70 109.97 2dba s SER 5 Ca 0.00 0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.79 2dba s SER 5 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2dba s SER 5 CO 0.00 -0.15 0.54 -0.44 0.98 0.00 0.00 173.24 174.17 2dba s SER 6 N -0.37 0.54 -0.30 7.02 0.01 -1.26 -5.17 113.70 114.18 2dba s SER 6 Ca 0.04 -1.31 -0.10 0.00 1.31 0.00 0.00 55.95 55.89 2dba s SER 6 Cb -0.03 0.69 0.17 0.00 0.21 0.00 0.00 66.02 67.06 2dba s SER 6 CO -0.07 -1.35 0.86 -0.83 0.41 0.00 0.00 173.24 172.26 2dba s GLY 7 N -3.16 -0.54 -0.18 3.44 0.00 -1.26 -5.17 107.32 100.45 2dba s GLY 7 Ca 0.26 2.52 -0.29 0.00 0.00 0.00 0.00 44.72 47.21 2dba s GLY 7 CO 0.16 3.48 0.98 -3.16 0.00 0.00 0.00 173.10 174.56 2dba s MET 8 N 2.80 0.61 -0.19 2.90 0.00 -1.26 -5.17 119.30 118.99 2dba s MET 8 Ca 0.05 0.27 -0.09 0.00 0.00 0.00 0.00 55.69 55.92 2dba s MET 8 Cb -0.11 0.29 0.07 0.00 0.00 0.00 0.00 34.83 35.08 2dba s MET 8 CO -0.16 -0.16 0.43 0.95 0.00 0.00 0.00 175.02 176.07 2dba s THR 9 N -0.79 -0.30 -0.03 3.16 -4.23 -1.26 -5.15 115.64 107.04 2dba s THR 9 Ca -0.01 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2dba s THR 9 Cb -0.02 -0.66 0.03 0.00 1.34 0.00 0.00 72.50 73.19 2dba s THR 9 CO 0.00 0.05 0.01 -0.69 -0.54 0.00 0.00 174.62 173.45 2dba s VAL 10 N 1.94 0.13 0.11 2.29 1.01 -1.26 -5.15 120.40 119.47 2dba s VAL 10 Ca -0.06 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2dba s VAL 10 Cb -0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2dba s VAL 10 CO -0.13 0.15 0.09 -0.94 0.00 0.00 0.00 175.10 174.27 2dba s SER 11 N 1.24 0.28 0.02 3.32 1.04 -1.26 -5.17 113.70 113.17 2dba s SER 11 Ca -0.07 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 55.33 2dba s SER 11 Cb -0.13 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 2dba s SER 11 CO -0.02 -0.73 -0.04 -0.83 0.98 0.00 0.00 173.24 172.59 2dba s GLY 12 N -2.99 0.28 0.83 7.32 0.00 -1.26 -5.16 107.32 106.34 2dba s GLY 12 Ca 0.17 -0.46 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 2dba s GLY 12 CO -0.02 -0.50 0.73 -1.55 0.00 0.00 0.00 173.10 171.76 2dba n PRO 13 N 2.08 -2.47 0.00 2.90 -0.04 -1.26 -5.07 135.00 131.15 2dba n PRO 13 Ca -0.19 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 2dba n PRO 13 Cb 0.56 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2dba n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dba n GLY 14 N -2.42 3.15 3.17 0.55 0.00 -1.26 -5.17 105.19 103.21 2dba n GLY 14 Ca 0.10 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 2dba n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dba s THR 15 N 0.00 1.30 0.38 2.61 -4.23 -1.26 -5.15 115.64 109.29 2dba s THR 15 Ca 0.00 -0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2dba s THR 15 Cb 0.00 -1.14 0.09 0.00 1.34 0.00 0.00 72.50 72.80 2dba s THR 15 CO 0.00 0.14 0.34 -0.81 -0.54 0.00 0.00 174.62 173.75 2dba n PRO 16 N 2.07 -1.68 -1.46 3.99 -0.04 -1.26 -4.96 135.00 131.66 2dba n PRO 16 Ca -0.17 -0.54 -0.37 0.00 -0.04 0.00 0.00 63.50 62.38 2dba n PRO 16 Cb 0.54 -0.51 0.05 0.00 -0.04 0.00 0.00 33.50 33.55 2dba n PRO 16 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dba n GLU 17 N -2.54 0.55 -2.04 0.54 -0.58 -1.26 -4.81 120.64 110.49 2dba n GLU 17 Ca 0.05 0.22 -0.34 0.00 -0.42 0.00 0.00 57.16 56.66 2dba n GLU 17 Cb 0.18 -1.86 -0.04 0.00 -0.57 0.00 0.00 31.44 29.15 2dba n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2dba s PRO 18 N -2.45 2.60 -0.10 3.49 0.04 -1.26 -4.97 135.00 132.36 2dba s PRO 18 Ca 0.70 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 2dba s PRO 18 Cb -0.41 -4.62 -0.05 0.00 0.04 0.00 0.00 34.50 29.46 2dba s PRO 18 CO 0.53 -2.95 0.26 0.50 0.04 0.00 0.00 177.00 175.37 2dba s ARG 19 N 7.03 3.82 0.61 4.56 3.52 -1.26 -5.10 118.95 132.13 2dba s ARG 19 Ca 0.68 0.09 -0.10 0.00 -0.13 0.00 0.00 55.73 56.27 2dba s ARG 19 Cb -0.11 -3.27 0.15 0.00 -1.56 0.00 0.00 34.95 30.17 2dba s ARG 19 CO 0.13 0.60 0.54 -0.35 -0.81 0.00 0.00 175.30 175.42 2dba n PRO 20 N 2.38 -2.08 -3.93 5.12 -0.04 -1.26 -5.10 135.00 130.08 2dba n PRO 20 Ca -0.16 -0.87 -0.10 0.00 -0.04 0.00 0.00 63.50 62.34 2dba n PRO 20 Cb 0.53 -0.81 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 2dba n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dba s ALA 21 N -3.00 -0.17 0.27 0.55 0.00 -1.26 -5.13 121.76 113.02 2dba s ALA 21 Ca 0.35 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 2dba s ALA 21 Cb -0.03 0.91 -0.16 0.00 0.00 0.00 0.00 23.12 23.83 2dba s ALA 21 CO 0.27 -0.70 0.47 -2.37 0.00 0.00 0.00 175.76 173.43 2dba n THR 22 N -0.26 1.69 -2.13 0.00 5.66 -1.26 -4.80 114.28 113.18 2dba n THR 22 Ca -0.07 -0.50 -0.43 0.00 -3.05 0.00 0.00 64.05 60.01 2dba n THR 22 Cb 0.63 -0.13 -0.03 0.00 -1.55 0.00 0.00 70.33 69.26 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 -1.09 3.89 -0.41 1.09 0.04 -1.26 -4.92 135.00 132.35 2dba s PRO 23 Ca 0.62 1.74 0.09 0.00 0.04 0.00 0.00 61.00 63.49 2dba s PRO 23 Cb -0.82 -4.00 0.31 0.00 0.04 0.00 0.00 34.50 30.02 2dba s PRO 23 CO 0.58 -1.18 0.78 0.41 0.04 0.00 0.00 177.00 177.64 2dba n GLY 24 N 4.49 2.40 1.65 0.56 0.00 -1.26 -4.97 105.19 108.06 2dba n GLY 24 Ca 0.18 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 0.70 4.53 0.00 4.61 0.00 -1.26 -3.59 120.51 125.51 2dba n ALA 25 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2dba n ALA 25 Cb 0.64 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.45 3.41 -4.72 0.00 7.64 -1.26 -4.79 113.62 115.35 2dba n SER 26 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 2dba n SER 26 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 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 -4.07 6.59 0.31 6.43 0.01 -1.24 -4.75 113.70 116.99 2dba s SER 27 Ca 0.00 2.63 -0.00 0.00 1.31 0.00 0.00 55.95 59.89 2dba s SER 27 Cb 0.00 -2.60 0.50 0.00 0.21 0.00 0.00 66.02 64.13 2dba s SER 27 CO 0.00 -0.80 1.95 1.62 0.41 0.00 0.00 173.24 176.42 2dba h VAL 28 N 3.92 1.15 -0.38 3.43 3.04 -1.91 0.82 116.25 126.33 2dba h VAL 28 Ca -0.43 -0.36 -0.11 0.00 -1.01 0.00 0.00 66.70 64.78 2dba h VAL 28 Cb 1.21 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 2dba h VAL 28 CO 0.89 0.19 -0.23 1.05 -1.01 0.00 0.00 177.57 178.46 2dba h GLU 29 N 1.05 0.75 0.00 4.17 9.09 -1.93 -2.91 114.58 124.80 2dba h GLU 29 Ca 0.33 -0.31 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2dba h GLU 29 Cb 0.01 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2dba h GLU 29 CO -0.09 0.91 0.00 0.94 0.05 0.00 0.00 179.01 180.82 2dba n GLN 30 N -4.11 0.00 -0.40 1.06 7.27 -0.75 -4.19 117.38 116.27 2dba n GLN 30 Ca 0.00 0.29 0.32 0.00 0.07 0.00 0.00 57.00 57.68 2dba n GLN 30 Cb 0.43 -0.77 0.52 0.00 2.41 0.00 0.00 30.24 32.84 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 -1.99 0.09 -0.29 1.69 -0.00 0.28 -0.88 117.00 115.89 2dba n LEU 31 Ca 0.00 0.87 -0.06 0.00 -0.00 0.00 0.00 56.01 56.82 2dba n LEU 31 Cb 0.00 -0.43 -0.04 0.00 -0.00 0.00 0.00 43.42 42.95 2dba n LEU 31 CO 0.00 -0.92 0.36 -1.14 -0.00 0.00 0.00 177.39 175.69 2dba n ARG 32 N -3.80 -0.27 -0.33 1.47 3.00 -1.10 0.12 116.66 115.75 2dba n ARG 32 Ca 0.30 1.08 0.05 0.00 -0.00 0.00 0.00 57.85 59.27 2dba n ARG 32 Cb 1.23 -1.59 0.12 0.00 0.00 0.00 0.00 32.46 32.22 2dba n ARG 32 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2dba h LYS 33 N 0.00 0.00 -0.96 -0.14 6.56 -1.27 0.50 116.57 121.26 2dba h LYS 33 Ca 0.15 -0.00 0.31 0.00 -1.06 0.00 0.00 60.65 60.05 2dba h LYS 33 Cb 0.33 -0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 31.82 2dba h LYS 33 CO -0.68 0.00 0.27 1.49 -2.06 0.00 0.00 179.45 178.47 2dba h GLU 34 N 0.00 0.09 -0.30 3.15 4.81 0.66 0.48 114.58 123.47 2dba h GLU 34 Ca 0.44 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 2dba h GLU 34 Cb 0.67 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2dba h GLU 34 CO -0.95 0.06 0.01 0.78 -0.73 0.00 0.00 179.01 178.18 2dba h GLY 35 N 0.09 0.57 0.60 1.92 0.00 0.01 -2.65 103.07 103.61 2dba h GLY 35 Ca 0.67 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2dba h GLY 35 CO -0.78 0.38 -0.27 3.43 0.00 0.00 0.00 176.54 179.31 2dba h ASN 36 N 0.33 -0.63 -0.92 0.19 4.21 -0.14 -2.30 115.58 116.32 2dba h ASN 36 Ca 0.09 -0.01 0.21 0.00 1.21 0.00 0.00 56.30 57.80 2dba h ASN 36 Cb 0.42 0.16 -0.17 0.00 -1.12 0.00 0.00 38.32 37.62 2dba h ASN 36 CO 0.01 -0.23 -0.10 -0.33 -1.29 0.00 0.00 177.43 175.50 2dba h GLU 37 N -1.15 0.02 -0.38 0.81 5.08 -0.37 1.13 114.58 119.72 2dba h GLU 37 Ca -0.08 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2dba h GLU 37 Cb 0.60 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2dba h GLU 37 CO 0.12 0.01 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.06 2dba h LEU 38 N 0.02 0.58 0.16 1.33 3.38 -1.50 -2.76 115.31 116.52 2dba h LEU 38 Ca 0.50 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 2dba h LEU 38 Cb 0.89 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dba h LEU 38 CO -0.90 0.66 -0.08 0.15 0.09 0.00 0.00 178.44 178.36 2dba h PHE 39 N 0.57 -0.20 0.00 1.13 3.57 0.17 -0.15 116.94 122.03 2dba h PHE 39 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2dba h PHE 39 Cb 0.39 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2dba h PHE 39 CO 0.02 0.18 0.03 0.36 -2.23 0.00 0.00 178.31 176.66 2dba n LYS 40 N -5.00 0.02 -0.04 1.11 2.85 0.69 -0.54 118.16 117.25 2dba n LYS 40 Ca -0.09 0.50 0.02 0.00 -1.05 0.00 0.00 58.31 57.69 2dba n LYS 40 Cb 0.24 -1.58 -0.13 0.00 -0.65 0.00 0.00 35.03 32.91 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 1.69 1.86 3.53 0.00 0.00 0.30 -5.04 105.19 107.53 2dba n GLY 42 Ca -0.13 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 0.06 1.12 -0.01 1.61 9.92 -0.37 -4.75 116.55 124.13 2dba n ASP 43 Ca 0.00 -0.47 -0.19 0.00 -0.53 0.00 0.00 54.79 53.60 2dba n ASP 43 Cb 0.00 -1.26 -0.14 0.00 -0.64 0.00 0.00 41.12 39.08 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2dba h TYR 44 N 15.03 0.30 -0.99 1.24 0.05 -1.93 -2.72 116.97 127.96 2dba h TYR 44 Ca -0.10 -0.22 0.23 0.00 0.05 0.00 0.00 58.73 58.69 2dba h TYR 44 Cb 1.22 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.86 2dba h TYR 44 CO 1.09 1.31 0.64 0.78 -1.05 0.00 0.00 178.16 180.93 2dba h GLY 45 N -0.51 1.13 0.00 3.88 0.00 -1.93 -2.10 103.07 103.53 2dba h GLY 45 Ca -0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2dba h GLY 45 CO 0.04 -0.07 -0.36 -1.33 0.00 0.00 0.00 176.54 174.82 2dba h GLY 46 N 0.44 0.00 -0.97 4.60 0.00 -1.96 -3.30 103.07 101.88 2dba h GLY 46 Ca 0.54 0.00 0.17 0.00 0.00 0.00 0.00 47.33 48.05 2dba h GLY 46 CO -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 175.98 2dba n ALA 47 N -3.08 0.07 0.13 3.60 0.00 -1.02 -0.43 120.51 119.78 2dba n ALA 47 Ca -0.10 1.02 -0.14 0.00 0.00 0.00 0.00 53.44 54.23 2dba n ALA 47 Cb 0.30 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.99 -0.97 0.00 7.12 -1.56 -2.40 115.31 116.51 2dba h LEU 48 Ca 0.41 0.11 0.17 0.00 0.13 0.00 0.00 57.88 58.70 2dba h LEU 48 Cb 0.65 0.37 -0.17 0.00 -0.53 0.00 0.00 40.66 40.98 2dba h LEU 48 CO -0.99 -0.44 -0.31 0.00 -0.13 0.00 0.00 178.44 176.58 2dba h ALA 49 N 0.01 0.42 0.57 1.25 0.00 -0.82 0.37 119.26 121.06 2dba h ALA 49 Ca 0.02 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2dba h ALA 49 Cb 0.61 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2dba h ALA 49 CO -0.18 -0.49 -0.47 0.00 0.00 0.00 0.00 179.25 178.10 2dba h ALA 50 N 1.69 -1.11 -1.04 0.00 0.00 -1.02 -2.19 119.26 115.59 2dba h ALA 50 Ca 0.41 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.39 2dba h ALA 50 Cb 0.66 0.65 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 2dba h ALA 50 CO -0.99 -1.16 0.64 1.88 0.00 0.00 0.00 179.25 179.62 2dba h TYR 51 N -1.03 0.84 0.74 0.00 0.05 -0.61 -1.35 116.97 115.62 2dba h TYR 51 Ca -0.07 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 2dba h TYR 51 Cb 0.87 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 2dba h TYR 51 CO -0.20 0.03 -0.46 1.15 -1.05 0.00 0.00 178.16 177.63 2dba h THR 52 N 0.46 0.08 -0.28 -2.88 2.02 -0.40 -2.28 112.91 109.63 2dba h THR 52 Ca 0.64 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.88 2dba h THR 52 Cb 1.45 0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.87 2dba h THR 52 CO -0.42 0.00 -0.42 1.56 0.37 0.00 0.00 175.52 176.61 2dba h GLN 53 N -1.12 -0.38 -0.77 6.66 4.20 -0.84 -1.02 115.11 121.84 2dba h GLN 53 Ca -0.10 0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.80 2dba h GLN 53 Cb 0.90 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 28.63 2dba h GLN 53 CO 0.10 -0.25 -0.11 0.00 -0.67 0.00 0.00 178.83 177.89 2dba h ALA 54 N 0.30 0.63 -0.25 3.87 0.00 -1.39 0.71 119.26 123.12 2dba h ALA 54 Ca 0.11 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.31 2dba h ALA 54 Cb 0.60 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dba h ALA 54 CO -0.49 -0.42 0.17 -0.07 0.00 0.00 0.00 179.25 178.43 2dba h LEU 55 N 0.03 0.27 -2.66 0.00 3.38 -0.61 -1.77 115.31 113.95 2dba h LEU 55 Ca 0.39 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.21 2dba h LEU 55 Cb 0.64 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 2dba h LEU 55 CO -0.75 0.19 0.19 0.61 0.09 0.00 0.00 178.44 178.77 2dba n GLY 56 N -1.51 2.79 3.05 0.83 0.00 0.25 -4.83 105.19 105.77 2dba n GLY 56 Ca 0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.91 2.28 -0.90 0.99 1.43 -0.67 -5.02 118.68 115.89 2dba s LEU 57 Ca 0.16 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 2dba s LEU 57 Cb 0.13 -0.06 -0.15 0.00 0.03 0.00 0.00 46.19 46.14 2dba s LEU 57 CO 0.02 -0.27 2.26 -1.81 0.23 0.00 0.00 176.35 176.78 2dba s ASP 58 N -1.73 3.92 0.21 2.29 1.11 -1.26 -4.89 116.67 116.32 2dba s ASP 58 Ca -0.09 -0.37 0.11 0.00 0.18 0.00 0.00 52.55 52.37 2dba s ASP 58 Cb -0.08 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 2dba s ASP 58 CO -0.01 -4.00 -0.18 0.00 1.18 0.00 0.00 175.17 172.16 2dba s ALA 59 N 14.85 2.72 0.85 5.23 0.00 -1.26 -5.03 121.76 139.11 2dba s ALA 59 Ca 0.86 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 2dba s ALA 59 Cb -0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2dba s ALA 59 CO 0.10 0.40 0.17 0.25 0.00 0.00 0.00 175.76 176.67 2dba n THR 60 N -0.06 0.64 0.56 0.00 -2.24 -1.26 -4.72 114.28 107.22 2dba n THR 60 Ca -0.10 -0.35 0.07 0.00 -2.27 0.00 0.00 64.05 61.40 2dba n THR 60 Cb 0.57 -0.49 0.33 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.27 0.07 -0.04 -0.78 -0.04 -1.26 -2.19 135.00 130.49 2dba n PRO 61 Ca 0.06 0.22 -0.15 0.00 -0.04 0.00 0.00 63.50 63.58 2dba n PRO 61 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.42 0.69 0.13 0.54 7.27 -1.26 -3.97 117.38 119.36 2dba n GLN 62 Ca 0.05 0.21 0.01 0.00 0.07 0.00 0.00 57.00 57.34 2dba n GLN 62 Cb 0.15 -1.67 0.04 0.00 2.41 0.00 0.00 30.24 31.17 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 0.03 0.00 -0.29 1.69 5.19 -1.84 -3.07 116.42 118.12 2dba h ASP 63 Ca -0.43 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.92 2dba h ASP 63 Cb 2.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.53 2dba h ASP 63 CO 0.04 0.59 -0.01 1.56 -3.12 0.00 0.00 179.24 178.30 2dba h GLN 64 N 0.00 0.53 0.45 3.56 4.20 -1.61 -2.55 115.11 119.69 2dba h GLN 64 Ca -0.01 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2dba h GLN 64 Cb 1.39 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2dba h GLN 64 CO 0.08 0.69 -0.22 0.00 -0.67 0.00 0.00 178.83 178.71 2dba h ALA 65 N 0.82 -0.61 -1.05 3.87 0.00 -1.69 -2.39 119.26 118.22 2dba h ALA 65 Ca 0.08 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.10 2dba h ALA 65 Cb 0.46 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 2dba h ALA 65 CO 0.02 -0.68 0.63 -0.24 0.00 0.00 0.00 179.25 178.98 2dba h VAL 66 N -0.93 0.41 -0.36 0.00 3.04 -1.60 0.48 116.25 117.29 2dba h VAL 66 Ca -0.06 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.35 2dba h VAL 66 Cb 0.58 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 2dba h VAL 66 CO 0.10 0.07 -0.34 -0.07 -1.01 0.00 0.00 177.57 176.32 2dba h LEU 67 N 0.40 0.86 -0.44 3.16 3.38 -1.37 -1.99 115.31 119.31 2dba h LEU 67 Ca 0.68 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 58.32 2dba h LEU 67 Cb 1.59 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2dba h LEU 67 CO -0.47 1.12 0.21 0.45 0.09 0.00 0.00 178.44 179.84 2dba h HIS 68 N 0.68 0.38 -0.14 1.13 3.86 0.47 -1.53 115.15 120.01 2dba h HIS 68 Ca 0.07 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.16 2dba h HIS 68 Cb 0.90 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 2dba h HIS 68 CO 0.05 0.18 -0.49 0.07 0.86 0.00 0.00 177.93 178.60 2dba h ARG 69 N 0.42 0.37 0.17 2.45 0.11 -1.37 -3.22 114.38 113.30 2dba h ARG 69 Ca 0.19 -0.21 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2dba h ARG 69 Cb 0.11 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 2dba h ARG 69 CO -0.15 0.78 -0.10 -0.91 0.10 0.00 0.00 179.97 179.69 2dba h ASN 70 N 0.29 -0.25 -0.94 0.08 4.21 -0.69 -2.64 115.58 115.65 2dba h ASN 70 Ca 0.01 0.02 0.28 0.00 1.21 0.00 0.00 56.30 57.82 2dba h ASN 70 Cb 0.97 0.08 -0.16 0.00 -1.12 0.00 0.00 38.32 38.09 2dba h ASN 70 CO 0.08 -0.17 0.28 0.03 -1.29 0.00 0.00 177.43 176.37 2dba h ARG 71 N -0.26 0.15 -0.84 0.81 3.08 -1.31 0.42 114.38 116.43 2dba h ARG 71 Ca -0.02 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.23 2dba h ARG 71 Cb 0.22 -0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 2dba h ARG 71 CO 0.02 0.10 0.29 0.00 -1.07 0.00 0.00 179.97 179.31 2dba h ALA 72 N 1.86 1.24 -0.09 0.04 0.00 -1.56 -1.64 119.26 119.11 2dba h ALA 72 Ca 0.63 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.74 2dba h ALA 72 Cb 1.38 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 2dba h ALA 72 CO -0.72 -0.36 -0.53 0.00 0.00 0.00 0.00 179.25 177.64 2dba h ALA 73 N 1.69 -0.88 -0.48 0.00 0.00 -0.23 -0.95 119.26 118.42 2dba h ALA 73 Ca 0.51 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.44 2dba h ALA 73 Cb 0.95 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 2dba h ALA 73 CO -0.55 -1.08 0.04 0.00 0.00 0.00 0.00 179.25 177.67 2dba h HIS 75 N 0.17 -0.68 -0.86 0.00 3.86 -0.79 -0.89 115.15 115.97 2dba h HIS 75 Ca 0.24 0.02 0.32 0.00 -1.16 0.00 0.00 60.37 59.79 2dba h HIS 75 Cb 0.34 0.29 -0.16 0.00 1.06 0.00 0.00 27.41 28.95 2dba h HIS 75 CO -0.26 -0.25 0.31 1.28 0.86 0.00 0.00 177.93 179.87 2dba n LEU 76 N -3.77 0.16 -0.15 2.43 4.77 -0.44 0.22 117.00 120.23 2dba n LEU 76 Ca -0.03 1.44 -0.11 0.00 -0.03 0.00 0.00 56.01 57.28 2dba n LEU 76 Cb 0.17 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 2dba n LEU 76 CO 0.06 -1.56 0.72 0.11 -1.33 0.00 0.00 177.39 175.39 2dba h LYS 77 N 0.00 0.84 -1.88 3.23 1.79 -1.08 -3.06 116.57 116.40 2dba h LYS 77 Ca 0.66 -0.32 -0.16 0.00 -2.18 0.00 0.00 60.65 58.65 2dba h LYS 77 Cb 1.64 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 32.18 2dba h LYS 77 CO -0.71 0.95 0.06 1.28 -1.08 0.00 0.00 179.45 179.94 2dba n LEU 78 N -4.29 5.70 -2.43 2.94 4.77 0.60 -4.76 117.00 119.54 2dba n LEU 78 Ca -0.01 -2.93 -0.07 0.00 -0.03 0.00 0.00 56.01 52.97 2dba n LEU 78 Cb 0.37 -1.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 2dba n LEU 78 CO 0.43 1.27 -0.03 -0.62 -1.33 0.00 0.00 177.39 177.12 2dba n GLU 79 N 1.36 -2.19 -1.63 3.23 1.02 -1.13 -4.71 120.64 116.59 2dba n GLU 79 Ca 0.20 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 2dba n GLU 79 Cb 0.61 -3.53 0.06 0.00 -0.02 0.00 0.00 31.44 28.55 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 -1.28 6.24 -0.34 1.62 8.00 -0.87 -4.80 116.55 125.12 2dba n ASP 80 Ca 0.02 -3.77 0.10 0.00 0.71 0.00 0.00 54.79 51.85 2dba n ASP 80 Cb 0.38 -0.67 0.21 0.00 -0.02 0.00 0.00 41.12 41.02 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 2.04 -0.24 -0.76 1.24 0.05 -1.82 0.20 116.97 117.69 2dba h TYR 81 Ca 0.49 0.08 0.13 0.00 0.05 0.00 0.00 58.73 59.47 2dba h TYR 81 Cb 1.19 0.26 -0.13 0.00 1.01 0.00 0.00 36.73 39.06 2dba h TYR 81 CO 1.16 -0.41 -0.34 0.22 -1.05 0.00 0.00 178.16 177.73 2dba h ASP 82 N 0.01 -1.23 -0.64 3.88 3.58 -1.87 0.25 116.42 120.40 2dba h ASP 82 Ca 0.53 0.26 0.09 0.00 0.42 0.00 0.00 57.03 58.33 2dba h ASP 82 Cb 0.97 0.64 -0.07 0.00 1.72 0.00 0.00 39.33 42.59 2dba h ASP 82 CO -0.93 -0.30 0.28 0.11 -2.88 0.00 0.00 179.24 175.52 2dba h LYS 83 N -0.09 0.47 -0.99 0.28 1.79 -1.00 -1.09 116.57 115.94 2dba h LYS 83 Ca 0.29 -0.03 0.18 0.00 -2.18 0.00 0.00 60.65 58.91 2dba h LYS 83 Cb 0.57 -0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 31.01 2dba h LYS 83 CO -0.81 0.31 0.60 0.00 -1.08 0.00 0.00 179.45 178.47 2dba h ALA 84 N 1.42 1.62 -0.58 3.86 0.00 -0.34 0.10 119.26 125.35 2dba h ALA 84 Ca 0.32 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.41 2dba h ALA 84 Cb 0.37 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2dba h ALA 84 CO -0.29 -0.03 0.14 1.49 0.00 0.00 0.00 179.25 180.56 2dba h GLU 85 N 0.77 0.27 -0.07 0.00 4.22 -0.61 0.47 114.58 119.63 2dba h GLU 85 Ca 0.56 -0.02 -0.23 0.00 0.08 0.00 0.00 59.36 59.76 2dba h GLU 85 Cb 0.84 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.04 2dba h GLU 85 CO -0.37 0.18 -0.88 1.15 -2.18 0.00 0.00 179.01 176.90 2dba h THR 86 N 0.28 1.31 -0.22 0.32 2.02 -1.16 -1.32 112.91 114.15 2dba h THR 86 Ca 0.30 -2.16 -0.05 0.00 0.77 0.00 0.00 66.41 65.27 2dba h THR 86 Cb 0.42 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 2dba h THR 86 CO -0.37 0.67 -0.10 -0.33 0.37 0.00 0.00 175.52 175.76 2dba h GLU 87 N 0.41 0.34 0.17 6.66 4.39 -0.25 0.28 114.58 126.58 2dba h GLU 87 Ca -0.08 -0.08 -0.31 0.00 0.34 0.00 0.00 59.36 59.23 2dba h GLU 87 Cb 1.51 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 30.12 2dba h GLU 87 CO 0.17 0.46 -1.48 0.00 -1.16 0.00 0.00 179.01 177.00 2dba h ALA 88 N 1.57 0.10 0.00 3.43 0.00 -0.07 -2.63 119.26 121.66 2dba h ALA 88 Ca 0.07 -0.99 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 2dba h ALA 88 Cb 0.39 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dba h ALA 88 CO 0.02 0.96 -0.29 1.03 0.00 0.00 0.00 179.25 180.97 2dba h SER 89 N 0.10 0.00 0.96 0.00 0.87 -1.02 -2.26 113.55 112.19 2dba h SER 89 Ca -0.23 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.19 2dba h SER 89 Cb 2.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.00 2dba h SER 89 CO 0.21 0.29 -1.12 0.07 -0.53 0.00 0.00 176.83 175.75 2dba h LYS 90 N 0.00 0.00 0.13 2.24 2.10 -0.53 -3.25 116.57 117.26 2dba h LYS 90 Ca -0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 2dba h LYS 90 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2dba h LYS 90 CO 0.04 0.33 -1.42 0.00 -2.00 0.00 0.00 179.45 176.40 2dba h ALA 91 N 1.48 0.17 0.49 0.07 0.00 -1.40 -3.28 119.26 116.79 2dba h ALA 91 Ca -0.10 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.78 2dba h ALA 91 Cb 1.49 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2dba h ALA 91 CO 0.05 1.04 -0.23 0.82 0.00 0.00 0.00 179.25 180.93 2dba h ILE 92 N 0.08 0.44 -0.78 0.00 2.04 -1.54 -3.10 117.51 114.64 2dba h ILE 92 Ca -0.20 -0.37 0.18 0.00 1.00 0.00 0.00 64.86 65.48 2dba h ILE 92 Cb 2.01 0.58 -0.13 0.00 -0.74 0.00 0.00 36.82 38.55 2dba h ILE 92 CO 0.19 0.05 0.14 1.05 0.00 0.00 0.00 178.15 179.58 2dba h GLU 93 N -0.90 0.19 -0.52 2.37 4.11 -1.72 1.41 114.58 119.53 2dba h GLU 93 Ca -0.07 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.46 2dba h GLU 93 Cb 0.59 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 2dba h GLU 93 CO 0.11 0.13 -0.12 0.87 0.07 0.00 0.00 179.01 180.07 2dba h LYS 94 N 0.20 0.01 0.00 1.06 1.79 -1.60 -3.30 116.57 114.73 2dba h LYS 94 Ca 0.45 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2dba h LYS 94 Cb 0.83 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2dba h LYS 94 CO -0.60 0.01 -0.16 -0.44 -1.08 0.00 0.00 179.45 177.18 2dba h ASP 95 N 0.01 0.00 0.00 0.86 3.32 -0.90 -3.50 116.42 116.22 2dba h ASP 95 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2dba h ASP 95 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2dba h ASP 95 CO -0.53 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 177.88 2dba n GLY 96 N 1.74 3.54 2.59 2.75 0.00 0.46 -4.95 105.19 111.33 2dba n GLY 96 Ca -0.02 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 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 4.89 2.98 -0.02 0.00 -1.26 -4.90 105.19 106.89 2dba n GLY 97 Ca 0.00 -2.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.11 2dba n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dba s ASP 98 N -2.78 4.51 0.41 1.61 2.15 -1.26 -4.97 116.67 116.34 2dba s ASP 98 Ca 0.43 -1.84 0.15 0.00 0.43 0.00 0.00 52.55 51.73 2dba s ASP 98 Cb 0.22 -1.46 0.89 0.00 -0.30 0.00 0.00 42.92 42.27 2dba s ASP 98 CO -0.08 -0.33 1.90 -0.37 -0.17 0.00 0.00 175.17 176.12 2dba h VAL 99 N 6.63 1.12 -0.51 1.11 -1.51 -1.94 -3.14 116.25 118.01 2dba h VAL 99 Ca -0.10 -1.01 0.06 0.00 -1.23 0.00 0.00 66.70 64.42 2dba h VAL 99 Cb 1.03 1.56 -0.09 0.00 -2.13 0.00 0.00 31.29 31.66 2dba h VAL 99 CO 0.49 0.28 -0.57 0.11 -1.23 0.00 0.00 177.57 176.66 2dba h LYS 100 N 0.00 -0.32 -0.34 5.19 1.79 -1.97 0.23 116.57 121.16 2dba h LYS 100 Ca -0.00 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2dba h LYS 100 Cb 0.53 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2dba h LYS 100 CO 0.04 -0.21 0.10 0.00 -1.08 0.00 0.00 179.45 178.29 2dba h ALA 101 N 0.05 0.45 -0.08 3.86 0.00 -1.90 -3.07 119.26 118.56 2dba h ALA 101 Ca 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2dba h ALA 101 Cb 0.57 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2dba h ALA 101 CO -0.65 0.10 -0.54 -0.07 0.00 0.00 0.00 179.25 178.09 2dba h LEU 102 N 0.40 -1.68 -1.08 0.00 3.38 -1.25 0.40 115.31 115.48 2dba h LEU 102 Ca 0.11 0.19 0.28 0.00 0.09 0.00 0.00 57.88 58.56 2dba h LEU 102 Cb 0.27 0.65 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 2dba h LEU 102 CO -0.00 -0.49 0.61 0.22 0.09 0.00 0.00 178.44 178.87 2dba h TYR 103 N -0.61 0.91 -0.20 1.13 3.20 -0.59 0.30 116.97 121.10 2dba h TYR 103 Ca 0.02 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.72 2dba h TYR 103 Cb 0.69 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.71 2dba h TYR 103 CO -0.56 -0.02 -0.69 0.00 -1.64 0.00 0.00 178.16 175.25 2dba h ARG 104 N 0.45 0.82 -0.98 1.82 3.08 -0.95 -3.17 114.38 115.45 2dba h ARG 104 Ca 0.67 -0.61 0.17 0.00 0.07 0.00 0.00 59.98 60.29 2dba h ARG 104 Cb 1.48 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 31.54 2dba h ARG 104 CO -0.49 1.22 0.61 -0.09 -1.07 0.00 0.00 179.97 180.16 2dba h ARG 105 N 0.59 0.74 0.00 0.04 2.43 0.35 0.43 114.38 118.96 2dba h ARG 105 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2dba h ARG 105 Cb 1.31 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2dba h ARG 105 CO 0.15 0.49 -0.10 0.66 -1.51 0.00 0.00 179.97 179.66 2dba h SER 106 N 0.76 0.00 -0.16 -3.80 4.64 -1.40 -2.50 113.55 111.09 2dba h SER 106 Ca 0.53 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.70 2dba h SER 106 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2dba h SER 106 CO -0.30 0.10 -0.46 1.56 -0.87 0.00 0.00 176.83 176.86 2dba h GLN 107 N 0.00 0.59 -0.38 4.77 1.08 -0.20 -2.50 115.11 118.46 2dba h GLN 107 Ca -0.00 -0.43 -0.12 0.00 -1.45 0.00 0.00 58.65 56.65 2dba h GLN 107 Cb 0.44 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 2dba h GLN 107 CO 0.01 1.04 -0.23 0.00 -0.95 0.00 0.00 178.83 178.70 2dba h ALA 108 N 0.55 0.54 0.57 3.87 0.00 -1.26 -3.18 119.26 120.36 2dba h ALA 108 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2dba h ALA 108 Cb 1.08 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2dba h ALA 108 CO 0.10 0.53 -0.28 -0.07 0.00 0.00 0.00 179.25 179.53 2dba h LEU 109 N 0.64 -0.65 -0.96 0.00 3.38 -1.50 -0.52 115.31 115.69 2dba h LEU 109 Ca 0.08 0.02 0.31 0.00 0.09 0.00 0.00 57.88 58.38 2dba h LEU 109 Cb 0.80 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 2dba h LEU 109 CO 0.07 -0.47 0.37 -0.33 0.09 0.00 0.00 178.44 178.17 2dba h GLU 110 N -0.77 0.16 0.02 1.13 5.08 -1.49 0.44 114.58 119.15 2dba h GLU 110 Ca -0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2dba h GLU 110 Cb 0.59 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dba h GLU 110 CO 0.13 0.11 -0.01 0.87 -1.00 0.00 0.00 179.01 179.11 2dba h LYS 111 N 0.17 -0.02 -0.10 2.33 1.79 -1.46 -3.11 116.57 116.17 2dba h LYS 111 Ca 0.68 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 59.18 2dba h LYS 111 Cb 1.54 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.19 2dba h LYS 111 CO -0.71 0.54 0.12 -0.07 -1.08 0.00 0.00 179.45 178.26 2dba h LEU 112 N -0.61 0.00 0.00 2.94 3.38 0.82 -3.45 115.31 118.40 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 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dba h LEU 112 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2dba n GLY 113 N -1.35 1.85 2.86 0.83 0.00 0.13 -5.07 105.19 104.44 2dba n GLY 113 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2dba n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dba s ARG 114 N -0.68 2.21 0.08 1.61 0.52 -0.34 -4.90 118.95 117.45 2dba s ARG 114 Ca 0.00 -3.07 -0.05 0.00 -0.52 0.00 0.00 55.73 52.09 2dba s ARG 114 Cb 0.00 -3.21 -0.28 0.00 0.52 0.00 0.00 34.95 31.98 2dba s ARG 114 CO 0.00 -1.26 1.14 -0.07 0.02 0.00 0.00 175.30 175.14 2dba h LEU 115 N 5.67 0.45 -0.99 2.53 3.38 -1.90 -2.93 115.31 121.53 2dba h LEU 115 Ca 0.11 -0.47 0.22 0.00 0.09 0.00 0.00 57.88 57.82 2dba h LEU 115 Cb 0.80 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 2dba h LEU 115 CO 0.68 1.36 0.57 -0.78 0.09 0.00 0.00 178.44 180.37 2dba h ASP 116 N 0.08 0.68 0.15 -0.43 3.58 -1.99 -1.57 116.42 116.93 2dba h ASP 116 Ca -0.14 0.12 -0.24 0.00 0.42 0.00 0.00 57.03 57.19 2dba h ASP 116 Cb 1.96 0.01 0.02 0.00 1.72 0.00 0.00 39.33 43.04 2dba h ASP 116 CO 0.21 0.17 -1.13 1.56 -2.88 0.00 0.00 179.24 177.17 2dba h GLN 117 N 0.64 0.32 -0.96 0.28 7.50 -1.99 -3.32 115.11 117.58 2dba h GLN 117 Ca 0.60 -0.54 0.30 0.00 0.50 0.00 0.00 58.65 59.51 2dba h GLN 117 Cb 1.05 0.20 -0.16 0.00 0.05 0.00 0.00 27.48 28.62 2dba h GLN 117 CO -0.44 1.26 0.32 0.00 -1.50 0.00 0.00 178.83 178.47 2dba h ALA 118 N 0.05 1.59 0.48 3.87 0.00 -1.10 0.86 119.26 125.00 2dba h ALA 118 Ca -0.22 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2dba h ALA 118 Cb 1.77 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2dba h ALA 118 CO 0.14 -0.63 -0.23 0.28 0.00 0.00 0.00 179.25 178.81 2dba h VAL 119 N 0.13 0.00 -0.63 0.00 2.07 -1.53 -2.23 116.25 114.06 2dba h VAL 119 Ca 0.67 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 68.20 2dba h VAL 119 Cb 1.51 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.16 2dba h VAL 119 CO -0.74 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 176.52 2dba h LEU 120 N -0.76 -0.91 -0.67 2.57 3.38 -1.38 0.15 115.31 117.68 2dba h LEU 120 Ca -0.07 0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2dba h LEU 120 Cb 0.50 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 2dba h LEU 120 CO 0.11 -0.27 0.17 0.44 0.09 0.00 0.00 178.44 178.98 2dba h ASP 121 N -0.09 0.04 -0.35 -0.43 3.32 -0.91 -1.28 116.42 116.72 2dba h ASP 121 Ca 0.27 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 2dba h ASP 121 Cb 0.53 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2dba h ASP 121 CO -0.69 0.01 0.10 -0.07 -1.72 0.00 0.00 179.24 176.87 2dba h LEU 122 N 0.29 0.53 -0.94 1.55 3.38 -0.17 -2.95 115.31 116.99 2dba h LEU 122 Ca 0.36 -0.22 0.33 0.00 0.09 0.00 0.00 57.88 58.44 2dba h LEU 122 Cb 0.57 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.01 2dba h LEU 122 CO -0.44 0.61 0.28 0.00 0.09 0.00 0.00 178.44 178.98 2dba n GLN 123 N -4.62 -0.06 -0.02 1.13 6.02 0.13 0.73 117.38 120.69 2dba n GLN 123 Ca -0.01 1.35 -0.12 0.00 -0.01 0.00 0.00 57.00 58.20 2dba n GLN 123 Cb 0.19 -2.29 -0.08 0.00 1.02 0.00 0.00 30.24 29.08 2dba n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dba h ARG 124 N 0.00 0.09 -0.98 -1.09 3.08 -1.45 -2.53 114.38 111.51 2dba h ARG 124 Ca 0.69 -0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.96 2dba h ARG 124 Cb 1.68 -0.01 -0.18 0.00 0.08 0.00 0.00 29.97 31.54 2dba h ARG 124 CO -0.80 0.42 -0.06 0.00 -1.07 0.00 0.00 179.97 178.46 2dba h VAL 126 N 0.00 1.31 -0.94 0.00 2.07 -1.46 -0.72 116.25 116.52 2dba h VAL 126 Ca 0.56 -1.97 0.01 0.00 0.82 0.00 0.00 66.70 66.12 2dba h VAL 126 Cb 1.07 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 2dba h VAL 126 CO -0.95 0.62 0.61 -1.28 0.02 0.00 0.00 177.57 176.59 2dba h SER 127 N 0.48 1.09 0.13 0.57 0.87 0.11 -2.79 113.55 114.00 2dba h SER 127 Ca -0.03 -0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.27 2dba h SER 127 Cb 1.31 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2dba h SER 127 CO 0.14 0.80 -0.96 -0.07 -0.53 0.00 0.00 176.83 176.21 2dba h LEU 128 N 1.28 0.62 -7.50 2.23 3.38 -0.50 -3.40 115.31 111.41 2dba h LEU 128 Ca 0.34 -0.89 -0.68 0.00 0.09 0.00 0.00 57.88 56.74 2dba h LEU 128 Cb -0.13 -0.20 -0.37 0.00 0.09 0.00 0.00 40.66 40.05 2dba h LEU 128 CO -0.07 1.45 -0.45 -1.61 0.09 0.00 0.00 178.44 177.85 2dba s GLU 129 N -2.70 2.38 0.44 1.13 0.41 -0.28 -4.92 118.70 115.15 2dba s GLU 129 Ca -0.12 -2.57 0.22 0.00 -0.41 0.00 0.00 54.97 52.09 2dba s GLU 129 Cb 0.03 -3.59 0.97 0.00 -1.78 0.00 0.00 34.13 29.75 2dba s GLU 129 CO 0.87 -1.15 1.86 -1.00 -0.49 0.00 0.00 175.26 175.34 2dba h PRO 130 N 6.83 0.00 0.19 0.39 0.13 -1.73 -3.14 132.00 134.67 2dba h PRO 130 Ca -0.03 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.82 2dba h PRO 130 Cb 0.93 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.08 2dba h PRO 130 CO 0.70 0.25 -1.26 1.57 -0.23 0.00 0.00 178.00 179.03 2dba h LYS 131 N 0.00 0.40 -5.79 0.86 2.10 -1.91 -3.44 116.57 108.79 2dba h LYS 131 Ca -0.00 -0.69 -0.57 0.00 -2.00 0.00 0.00 60.65 57.38 2dba h LYS 131 Cb 0.68 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 2dba h LYS 131 CO 0.03 1.33 1.53 0.09 -2.00 0.00 0.00 179.45 180.44 2dba n ASN 132 N -3.88 2.31 0.05 7.07 4.13 -1.19 -4.82 115.26 118.94 2dba n ASN 132 Ca -0.18 0.07 -0.20 0.00 1.68 0.00 0.00 54.58 55.95 2dba n ASN 132 Cb 0.98 -1.40 -0.13 0.00 -1.54 0.00 0.00 39.78 37.68 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 15.11 0.41 -0.81 3.52 1.57 -1.87 -3.32 116.57 131.19 2dba h LYS 133 Ca -0.28 -0.59 0.29 0.00 -1.87 0.00 0.00 60.65 58.20 2dba h LYS 133 Cb 1.28 0.20 -0.15 0.00 0.08 0.00 0.00 32.23 33.65 2dba h LYS 133 CO 1.08 1.25 0.26 0.28 -0.57 0.00 0.00 179.45 181.74 2dba n VAL 134 N -4.06 -0.34 -0.02 0.50 0.31 -1.26 0.14 118.33 113.59 2dba n VAL 134 Ca -0.13 1.70 -0.12 0.00 -0.01 0.00 0.00 64.34 65.77 2dba n VAL 134 Cb 0.83 -2.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.05 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 0.14 -0.11 3.52 0.04 -1.95 -1.65 116.94 116.93 2dba h PHE 135 Ca 0.60 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.38 2dba h PHE 135 Cb 1.47 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.58 2dba h PHE 135 CO -0.18 0.46 0.52 1.96 -0.60 0.00 0.00 178.31 180.47 2dba h GLN 136 N -0.21 0.00 0.03 1.51 4.20 0.10 -0.22 115.11 120.53 2dba h GLN 136 Ca 0.02 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.38 2dba h GLN 136 Cb 0.41 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2dba h GLN 136 CO 0.01 0.00 -1.91 0.39 -0.67 0.00 0.00 178.83 176.64 2dba n GLU 137 N -2.96 0.63 -0.30 1.46 -0.58 -0.91 -3.91 120.64 114.06 2dba n GLU 137 Ca 0.01 0.37 0.15 0.00 -0.42 0.00 0.00 57.16 57.27 2dba n GLU 137 Cb 0.59 -1.65 0.32 0.00 -0.57 0.00 0.00 31.44 30.14 2dba n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dba h ALA 138 N -0.42 1.39 -0.33 0.62 0.00 -0.08 0.19 119.26 120.64 2dba h ALA 138 Ca -0.49 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dba h ALA 138 Cb 1.63 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2dba h ALA 138 CO -0.18 -0.47 0.00 -0.11 0.00 0.00 0.00 179.25 178.49 2dba n LEU 139 N -5.18 0.09 -0.48 0.00 0.00 -0.97 -3.10 117.00 107.36 2dba n LEU 139 Ca 0.23 0.80 0.39 0.00 0.00 0.00 0.00 56.01 57.44 2dba n LEU 139 Cb 0.73 -0.45 0.68 0.00 0.00 0.00 0.00 43.42 44.38 2dba n LEU 139 CO 0.07 -0.45 1.29 0.08 0.00 0.00 0.00 177.39 178.39 2dba h ARG 140 N 0.00 0.07 0.05 1.96 0.11 -1.60 0.34 114.38 115.31 2dba h ARG 140 Ca 0.00 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.10 2dba h ARG 140 Cb 0.00 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.02 2dba h ARG 140 CO 0.00 0.05 -0.28 -0.91 0.10 0.00 0.00 179.97 178.92 2dba h ASN 141 N 0.07 -0.83 0.18 0.08 2.35 -0.58 0.34 115.58 117.20 2dba h ASN 141 Ca 0.81 0.10 -0.25 0.00 -0.55 0.00 0.00 56.30 56.42 2dba h ASN 141 Cb 2.73 0.33 0.03 0.00 0.05 0.00 0.00 38.32 41.45 2dba h ASN 141 CO -0.31 -0.36 -1.09 0.16 -1.65 0.00 0.00 177.43 174.18 2dba h ILE 142 N -0.46 1.41 -0.69 2.81 3.07 -0.49 -3.33 117.51 119.83 2dba h ILE 142 Ca 0.05 -2.59 0.09 0.00 1.55 0.00 0.00 64.86 63.96 2dba h ILE 142 Cb 0.52 3.13 -0.07 0.00 -0.27 0.00 0.00 36.82 40.13 2dba h ILE 142 CO -0.21 0.75 0.33 -1.28 -1.05 0.00 0.00 178.15 176.70 2dba h SER 143 N -0.17 0.42 -0.85 2.16 0.87 -0.46 -3.43 113.55 112.09 2dba h SER 143 Ca -0.19 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2dba h SER 143 Cb 1.85 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2dba h SER 143 CO 0.20 0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 2dba n GLY 144 N -1.30 -2.54 3.77 5.77 0.00 0.12 -5.00 105.19 106.00 2dba n GLY 144 Ca 0.11 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 2dba n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dba s PRO 145 N -1.80 2.33 -0.06 1.61 0.04 -1.26 -4.99 135.00 130.86 2dba s PRO 145 Ca 0.00 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 2dba s PRO 145 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2dba s PRO 145 CO 0.00 -1.59 -0.07 -1.13 0.04 0.00 0.00 177.00 174.25 2dba n SER 146 N -3.36 1.85 -4.44 6.66 3.41 -1.26 -4.91 113.62 111.57 2dba n SER 146 Ca 0.09 0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 58.34 2dba n SER 146 Cb 0.53 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 2dba n SER 146 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dba n SER 147 N -3.00 -1.54 -0.83 4.04 3.41 -1.26 -5.23 113.62 109.21 2dba n SER 147 Ca -0.11 -1.21 0.13 0.00 -0.26 0.00 0.00 58.87 57.41 2dba n SER 147 Cb 0.60 -1.83 0.22 0.00 -0.26 0.00 0.00 64.21 62.93 2dba n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49