#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 1.80 0.10 1.61 0.01 -1.26 -5.18 113.70 110.78 2dba s SER 2 Ca 0.00 -1.66 -0.27 0.00 1.31 0.00 0.00 55.95 55.33 2dba s SER 2 Cb 0.00 0.49 0.08 0.00 0.21 0.00 0.00 66.02 66.80 2dba s SER 2 CO 0.00 -0.97 1.03 -0.94 0.41 0.00 0.00 173.24 172.77 2dba s SER 3 N -3.41 -0.17 0.00 2.44 1.04 -1.26 -5.19 113.70 107.15 2dba s SER 3 Ca 0.35 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2dba s SER 3 Cb 0.03 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2dba s SER 3 CO 0.21 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2dba n GLY 4 N -0.45 7.00 3.84 7.32 0.00 -1.26 -5.18 105.19 116.46 2dba n GLY 4 Ca -0.07 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 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 1.00 -0.03 0.30 1.61 1.04 -1.26 -5.19 113.70 111.17 2dba s SER 5 Ca 0.00 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 2dba s SER 5 Cb 0.00 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 2dba s SER 5 CO 0.00 -1.21 0.36 -0.44 0.98 0.00 0.00 173.24 172.93 2dba s SER 6 N -3.22 0.85 0.00 7.02 0.01 -1.26 -5.19 113.70 111.92 2dba s SER 6 Ca 0.18 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2dba s SER 6 Cb -0.03 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2dba s SER 6 CO 0.07 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.20 2dba n GLY 7 N -0.50 5.78 3.49 3.44 0.00 -1.26 -5.19 105.19 110.95 2dba n GLY 7 Ca 0.03 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 2dba n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dba s MET 8 N 0.49 1.36 0.07 1.61 1.00 -1.26 -5.18 119.30 117.38 2dba s MET 8 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 55.69 54.59 2dba s MET 8 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 34.83 35.30 2dba s MET 8 CO 0.00 -0.55 0.16 0.99 0.00 0.00 0.00 175.02 175.61 2dba s THR 9 N -3.93 0.14 -0.03 2.05 2.01 -1.26 -5.17 115.64 109.46 2dba s THR 9 Ca 0.14 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2dba s THR 9 Cb 0.00 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2dba s THR 9 CO 0.00 -0.65 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.55 2dba s VAL 10 N -3.46 0.50 0.41 3.82 1.01 -1.26 -5.15 120.40 116.27 2dba s VAL 10 Ca 0.02 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2dba s VAL 10 Cb 0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2dba s VAL 10 CO -0.09 0.20 0.10 -0.94 0.00 0.00 0.00 175.10 174.37 2dba s SER 11 N 0.61 2.91 -0.16 3.32 1.04 -1.26 -5.17 113.70 114.98 2dba s SER 11 Ca -0.08 -1.62 -0.28 0.00 0.48 0.00 0.00 55.95 54.45 2dba s SER 11 Cb -0.11 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.49 2dba s SER 11 CO 0.00 -0.86 0.77 -0.83 0.98 0.00 0.00 173.24 173.30 2dba s GLY 12 N -3.62 -0.48 0.00 7.32 0.00 -1.26 -5.18 107.32 104.10 2dba s GLY 12 Ca 0.24 1.78 0.00 0.00 0.00 0.00 0.00 44.72 46.74 2dba s GLY 12 CO 0.13 1.32 0.00 -1.55 0.00 0.00 0.00 173.10 173.00 2dba n PRO 13 N 1.60 -0.76 0.00 2.90 -0.04 -1.26 -5.10 135.00 132.34 2dba n PRO 13 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2dba n PRO 13 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 2.43 5.53 3.43 0.55 0.00 -1.26 -5.17 105.19 110.69 2dba n GLY 14 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 2dba n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dba s THR 15 N 1.53 -0.69 1.23 2.61 -1.32 -1.26 -5.17 115.64 112.57 2dba s THR 15 Ca 0.00 0.09 -0.20 0.00 -1.21 0.00 0.00 61.69 60.37 2dba s THR 15 Cb 0.00 -0.80 0.30 0.00 -1.51 0.00 0.00 72.50 70.49 2dba s THR 15 CO 0.00 0.04 1.11 -2.16 -2.21 0.00 0.00 174.62 171.40 2dba s PRO 16 N 2.57 -1.48 0.01 7.08 0.04 -1.26 -5.09 135.00 136.88 2dba s PRO 16 Ca -0.04 -0.16 0.01 0.00 0.04 0.00 0.00 61.00 60.85 2dba s PRO 16 Cb -0.11 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 2dba s PRO 16 CO -0.15 -3.86 -0.05 -1.83 0.04 0.00 0.00 177.00 171.15 2dba s GLU 17 N -5.48 0.36 0.91 4.56 -1.05 -1.26 -5.16 118.70 111.58 2dba s GLU 17 Ca 0.72 -0.36 -0.12 0.00 -0.15 0.00 0.00 54.97 55.06 2dba s GLU 17 Cb -0.08 -0.23 0.14 0.00 -0.44 0.00 0.00 34.13 33.51 2dba s GLU 17 CO 0.56 0.05 1.09 -1.25 0.95 0.00 0.00 175.26 176.66 2dba s PRO 18 N -0.68 1.17 0.08 -4.83 0.04 -1.26 -5.06 135.00 124.46 2dba s PRO 18 Ca -0.04 0.79 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2dba s PRO 18 Cb -0.05 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2dba s PRO 18 CO -0.00 -2.30 0.04 1.03 0.04 0.00 0.00 177.00 175.81 2dba s ARG 19 N -4.94 2.71 1.19 4.56 1.81 -1.26 -5.12 118.95 117.91 2dba s ARG 19 Ca 0.64 -0.76 -0.19 0.00 -1.72 0.00 0.00 55.73 53.70 2dba s ARG 19 Cb -0.18 -2.63 0.28 0.00 -0.45 0.00 0.00 34.95 31.97 2dba s ARG 19 CO 0.57 0.55 1.11 -1.25 -0.68 0.00 0.00 175.30 175.60 2dba s PRO 20 N -2.34 -1.13 0.11 3.54 0.04 -1.26 -5.05 135.00 128.91 2dba s PRO 20 Ca 0.27 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2dba s PRO 20 Cb -0.12 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2dba s PRO 20 CO 0.20 -3.66 0.27 0.00 0.04 0.00 0.00 177.00 173.86 2dba s ALA 21 N -3.00 3.95 -0.28 8.56 0.00 -1.26 -5.10 121.76 124.62 2dba s ALA 21 Ca 0.71 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 2dba s ALA 21 Cb -0.10 -1.87 0.16 0.00 0.00 0.00 0.00 23.12 21.30 2dba s ALA 21 CO 0.56 0.67 1.23 -0.08 0.00 0.00 0.00 175.76 178.14 2dba s THR 22 N -1.64 0.00 -0.76 0.00 -1.32 -1.26 -5.10 115.64 105.56 2dba s THR 22 Ca 0.36 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.58 2dba s THR 22 Cb -0.12 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 2dba s THR 22 CO 0.28 0.00 1.90 -2.16 -2.21 0.00 0.00 174.62 172.43 2dba s PRO 23 N -0.06 2.59 0.00 7.08 0.04 -1.26 -4.60 135.00 138.80 2dba s PRO 23 Ca 0.05 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2dba s PRO 23 Cb -0.04 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.77 2dba s PRO 23 CO -0.10 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.30 2dba n GLY 24 N 6.27 -0.04 3.53 0.56 0.00 -1.26 -5.03 105.19 109.22 2dba n GLY 24 Ca 0.30 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.92 -1.29 0.00 4.61 0.00 -1.26 -4.87 120.51 114.78 2dba n ALA 25 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2dba n ALA 25 Cb 0.00 -5.29 0.00 0.00 0.00 0.00 0.00 19.45 14.16 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 -2.88 1.93 -4.66 0.00 7.64 -1.26 -4.74 113.62 109.64 2dba n SER 26 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2dba n SER 26 Cb 0.56 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 -3.70 6.74 0.41 6.43 0.01 -1.26 -4.76 113.70 117.57 2dba s SER 27 Ca 0.00 2.11 0.26 0.00 1.31 0.00 0.00 55.95 59.63 2dba s SER 27 Cb 0.00 -2.54 1.35 0.00 0.21 0.00 0.00 66.02 65.04 2dba s SER 27 CO 0.00 -0.87 1.63 1.62 0.41 0.00 0.00 173.24 176.03 2dba h VAL 28 N 5.48 0.15 -0.25 3.43 3.04 -1.90 1.26 116.25 127.45 2dba h VAL 28 Ca -0.36 -0.04 -0.17 0.00 -1.01 0.00 0.00 66.70 65.11 2dba h VAL 28 Cb 1.16 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2dba h VAL 28 CO 0.95 0.02 -0.54 -0.08 -1.01 0.00 0.00 177.57 176.92 2dba h GLU 29 N 0.12 0.75 0.00 4.17 4.81 -1.93 -2.84 114.58 119.66 2dba h GLU 29 Ca 0.80 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2dba h GLU 29 Cb 2.35 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.78 2dba h GLU 29 CO -0.49 1.09 -0.01 0.37 -0.73 0.00 0.00 179.01 179.24 2dba h GLN 30 N 0.58 0.00 -1.83 1.92 5.75 0.95 -3.34 115.11 119.13 2dba h GLN 30 Ca 0.02 0.00 0.53 0.00 -0.15 0.00 0.00 58.65 59.05 2dba h GLN 30 Cb 1.12 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 2dba h GLN 30 CO 0.11 0.00 1.37 1.37 -2.65 0.00 0.00 178.83 179.03 2dba h LEU 31 N -0.15 0.00 -0.92 -2.39 8.10 -0.29 -0.33 115.31 119.32 2dba h LEU 31 Ca 0.00 0.00 0.17 0.00 0.11 0.00 0.00 57.88 58.16 2dba h LEU 31 Cb 0.01 0.00 -0.17 0.00 -0.44 0.00 0.00 40.66 40.06 2dba h LEU 31 CO 0.00 0.00 -0.26 -1.14 -4.11 0.00 0.00 178.44 172.93 2dba n ARG 32 N -3.88 -0.11 -0.30 0.17 0.63 -1.07 0.16 116.66 112.24 2dba n ARG 32 Ca 0.41 1.42 0.09 0.00 -0.92 0.00 0.00 57.85 58.86 2dba n ARG 32 Cb 1.92 -2.12 0.26 0.00 0.45 0.00 0.00 32.46 32.96 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 0.56 -0.70 -0.14 1.79 -1.28 -0.98 116.57 115.81 2dba h LYS 33 Ca 0.41 -0.03 0.15 0.00 -2.18 0.00 0.00 60.65 59.00 2dba h LYS 33 Cb 0.64 -0.13 -0.13 0.00 -1.58 0.00 0.00 32.23 31.04 2dba h LYS 33 CO -0.94 0.37 -0.08 1.49 -1.08 0.00 0.00 179.45 179.22 2dba h GLU 34 N 0.57 0.05 0.84 3.15 4.57 0.13 0.26 114.58 124.16 2dba h GLU 34 Ca 0.50 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.64 2dba h GLU 34 Cb 0.80 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2dba h GLU 34 CO -0.41 0.04 -0.46 0.78 -1.18 0.00 0.00 179.01 177.78 2dba h GLY 35 N 0.05 -1.30 0.37 1.92 0.00 -1.15 -2.83 103.07 100.13 2dba h GLY 35 Ca 0.36 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 48.19 2dba h GLY 35 CO -0.66 -0.46 -0.49 3.43 0.00 0.00 0.00 176.54 178.36 2dba h ASN 36 N -1.19 -1.40 -1.47 0.19 2.35 -1.33 -0.32 115.58 112.41 2dba h ASN 36 Ca -0.11 0.12 0.47 0.00 -0.55 0.00 0.00 56.30 56.23 2dba h ASN 36 Cb 0.93 0.48 -0.10 0.00 0.05 0.00 0.00 38.32 39.68 2dba h ASN 36 CO 0.15 -0.61 1.00 -0.62 -1.65 0.00 0.00 177.43 175.70 2dba n GLU 37 N -5.38 -0.02 0.08 0.81 1.02 0.86 0.23 120.64 118.25 2dba n GLU 37 Ca -0.11 1.06 -0.21 0.00 -0.02 0.00 0.00 57.16 57.88 2dba n GLU 37 Cb 0.43 -2.23 -0.15 0.00 -0.02 0.00 0.00 31.44 29.47 2dba n GLU 37 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2dba h LEU 38 N 0.00 0.58 0.23 -4.62 3.38 -0.97 -3.29 115.31 110.62 2dba h LEU 38 Ca 0.81 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2dba h LEU 38 Cb 2.91 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 43.47 2dba h LEU 38 CO -0.25 1.65 -0.11 0.15 0.09 0.00 0.00 178.44 179.98 2dba h PHE 39 N 0.10 -0.28 0.00 1.13 3.57 0.46 0.17 116.94 122.09 2dba h PHE 39 Ca -0.29 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2dba h PHE 39 Cb 2.08 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.92 2dba h PHE 39 CO 0.09 0.02 0.05 0.36 -2.23 0.00 0.00 178.31 176.61 2dba n LYS 40 N -5.10 0.05 -0.02 1.11 2.85 0.68 -0.38 118.16 117.36 2dba n LYS 40 Ca -0.09 0.52 0.06 0.00 -1.05 0.00 0.00 58.31 57.75 2dba n LYS 40 Cb 0.23 -1.72 -0.12 0.00 -0.65 0.00 0.00 35.03 32.77 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 1.67 2.67 3.52 0.00 0.00 0.49 -5.03 105.19 108.50 2dba n GLY 42 Ca -0.06 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 0.11 0.28 -0.01 1.61 9.92 -0.13 -4.73 116.55 123.60 2dba n ASP 43 Ca 0.00 -0.50 -0.19 0.00 -0.53 0.00 0.00 54.79 53.58 2dba n ASP 43 Cb 0.00 -1.03 -0.14 0.00 -0.64 0.00 0.00 41.12 39.31 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 13.02 0.31 -1.07 1.24 0.05 -1.93 -2.48 116.97 126.10 2dba h TYR 44 Ca -0.04 -0.22 0.28 0.00 0.05 0.00 0.00 58.73 58.80 2dba h TYR 44 Cb 1.18 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.81 2dba h TYR 44 CO 1.19 1.30 0.68 0.78 -1.05 0.00 0.00 178.16 181.06 2dba h GLY 45 N -0.52 1.25 0.00 3.88 0.00 -1.96 -2.04 103.07 103.68 2dba h GLY 45 Ca -0.16 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 2dba h GLY 45 CO 0.05 -0.17 -0.95 -1.33 0.00 0.00 0.00 176.54 174.14 2dba h GLY 46 N 0.36 0.00 -0.97 4.60 0.00 -1.96 -3.33 103.07 101.78 2dba h GLY 46 Ca 0.62 0.00 0.19 0.00 0.00 0.00 0.00 47.33 48.14 2dba h GLY 46 CO -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 176.54 175.97 2dba h ALA 47 N -0.51 0.61 0.09 3.60 0.00 -1.07 0.22 119.26 122.20 2dba h ALA 47 Ca -0.24 0.38 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2dba h ALA 47 Cb 1.11 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2dba h ALA 47 CO -0.15 -0.40 -0.15 1.25 0.00 0.00 0.00 179.25 179.80 2dba h LEU 48 N -0.00 -0.42 -0.77 0.00 7.12 -1.57 -2.81 115.31 116.86 2dba h LEU 48 Ca 0.46 0.05 0.13 0.00 0.13 0.00 0.00 57.88 58.65 2dba h LEU 48 Cb 0.71 0.16 -0.13 0.00 -0.53 0.00 0.00 40.66 40.86 2dba h LEU 48 CO -1.01 -0.22 -0.36 0.00 -0.13 0.00 0.00 178.44 176.71 2dba h ALA 49 N 0.56 0.04 -0.41 1.25 0.00 -0.69 0.77 119.26 120.78 2dba h ALA 49 Ca 0.02 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2dba h ALA 49 Cb 0.32 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2dba h ALA 49 CO -0.08 -0.66 -0.17 0.00 0.00 0.00 0.00 179.25 178.34 2dba h ALA 50 N 1.15 0.15 -0.91 0.00 0.00 -1.19 -0.50 119.26 117.97 2dba h ALA 50 Ca 0.28 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.46 2dba h ALA 50 Cb 0.57 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2dba h ALA 50 CO -0.82 -0.53 0.54 1.88 0.00 0.00 0.00 179.25 180.32 2dba h TYR 51 N -0.09 0.97 -0.73 0.00 0.05 -0.69 -1.23 116.97 115.24 2dba h TYR 51 Ca 0.20 0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.08 2dba h TYR 51 Cb 0.40 -0.30 -0.06 0.00 1.01 0.00 0.00 36.73 37.78 2dba h TYR 51 CO -0.42 0.36 0.42 1.15 -1.05 0.00 0.00 178.16 178.63 2dba h THR 52 N 0.85 0.98 0.80 -2.88 2.02 0.08 -2.17 112.91 112.58 2dba h THR 52 Ca 0.45 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 2dba h THR 52 Cb 0.47 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2dba h THR 52 CO -0.27 0.14 -0.38 1.56 0.37 0.00 0.00 175.52 176.93 2dba h GLN 53 N 0.77 -1.03 -0.74 6.66 4.20 -0.76 -1.88 115.11 122.33 2dba h GLN 53 Ca 0.33 0.07 0.14 0.00 0.06 0.00 0.00 58.65 59.25 2dba h GLN 53 Cb 0.20 0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.08 2dba h GLN 53 CO -0.19 -0.67 -0.25 0.00 -0.67 0.00 0.00 178.83 177.05 2dba h ALA 54 N -1.00 0.33 0.00 3.87 0.00 -1.27 0.83 119.26 122.01 2dba h ALA 54 Ca -0.11 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2dba h ALA 54 Cb 0.83 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2dba h ALA 54 CO 0.18 -0.50 -0.05 -0.07 0.00 0.00 0.00 179.25 178.81 2dba h LEU 55 N -0.05 0.00 -2.71 0.00 3.38 -1.33 -2.26 115.31 112.34 2dba h LEU 55 Ca 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 2dba h LEU 55 Cb 0.56 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2dba h LEU 55 CO -0.77 0.05 0.15 0.61 0.09 0.00 0.00 178.44 178.57 2dba n GLY 56 N -1.35 2.77 3.10 0.83 0.00 0.29 -4.80 105.19 106.02 2dba n GLY 56 Ca -0.03 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.72 1.36 -0.93 0.99 1.43 -0.85 -5.01 118.68 114.95 2dba s LEU 57 Ca 0.12 0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 53.11 2dba s LEU 57 Cb 0.10 0.70 -0.20 0.00 0.03 0.00 0.00 46.19 46.82 2dba s LEU 57 CO 0.01 -0.21 2.11 0.47 0.23 0.00 0.00 176.35 178.97 2dba n ASP 58 N 2.27 1.12 -4.79 2.29 8.00 -1.26 -4.87 116.55 119.32 2dba n ASP 58 Ca -0.17 -2.11 -0.22 0.00 0.71 0.00 0.00 54.79 53.00 2dba n ASP 58 Cb 0.57 -1.60 -0.05 0.00 -0.02 0.00 0.00 41.12 40.02 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dba s ALA 59 N 15.13 3.63 0.88 2.24 0.00 -1.26 -5.08 121.76 137.31 2dba s ALA 59 Ca 0.80 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 2dba s ALA 59 Cb -0.09 -0.96 0.12 0.00 0.00 0.00 0.00 23.12 22.19 2dba s ALA 59 CO 0.16 0.05 1.12 0.25 0.00 0.00 0.00 175.76 177.34 2dba n THR 60 N -1.24 0.71 0.32 0.00 -2.24 -1.26 -4.79 114.28 105.78 2dba n THR 60 Ca -0.03 -0.08 0.16 0.00 -2.27 0.00 0.00 64.05 61.82 2dba n THR 60 Cb 0.60 -1.04 0.64 0.00 -2.10 0.00 0.00 70.33 68.43 2dba n THR 60 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2dba h PRO 61 N -1.54 0.00 0.00 -0.78 0.13 -1.99 -1.82 132.00 126.00 2dba h PRO 61 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2dba h PRO 61 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2dba h PRO 61 CO 0.42 0.00 -0.78 1.96 -0.23 0.00 0.00 178.00 179.37 2dba h GLN 62 N 0.00 0.00 0.02 0.86 4.20 -1.97 -3.33 115.11 114.88 2dba h GLN 62 Ca 0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 2dba h GLN 62 Cb 0.45 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 2dba h GLN 62 CO 0.00 0.07 -1.91 -0.25 -0.67 0.00 0.00 178.83 176.07 2dba n ASP 63 N -2.85 1.03 0.25 1.46 9.92 -0.98 -3.69 116.55 121.69 2dba n ASP 63 Ca -0.00 0.29 0.08 0.00 -0.53 0.00 0.00 54.79 54.63 2dba n ASP 63 Cb 0.60 -0.06 0.64 0.00 -0.64 0.00 0.00 41.12 41.65 2dba n ASP 63 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dba h GLN 64 N 0.01 0.00 0.01 -1.24 4.20 -1.47 -2.82 115.11 113.80 2dba h GLN 64 Ca -0.37 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 2dba h GLN 64 Cb 2.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.83 2dba h GLN 64 CO 0.07 0.06 -0.00 0.00 -0.67 0.00 0.00 178.83 178.28 2dba h ALA 65 N 1.94 -0.02 -1.50 3.87 0.00 -1.71 -3.19 119.26 118.65 2dba h ALA 65 Ca -0.00 -0.00 0.46 0.00 0.00 0.00 0.00 54.91 55.37 2dba h ALA 65 Cb 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2dba h ALA 65 CO 0.01 -0.02 1.05 1.55 0.00 0.00 0.00 179.25 181.83 2dba n VAL 66 N -2.99 -0.08 -0.05 0.00 3.14 -1.22 0.22 118.33 117.36 2dba n VAL 66 Ca -0.00 1.37 -0.14 0.00 -2.96 0.00 0.00 64.34 62.61 2dba n VAL 66 Cb 0.00 -2.27 -0.08 0.00 -1.06 0.00 0.00 33.84 30.43 2dba n VAL 66 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2dba h LEU 67 N 0.00 0.45 0.46 6.55 3.38 -1.61 -3.09 115.31 121.45 2dba h LEU 67 Ca 0.79 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2dba h LEU 67 Cb 2.93 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 43.53 2dba h LEU 67 CO -0.16 0.93 -0.42 0.45 0.09 0.00 0.00 178.44 179.34 2dba h HIS 68 N -0.02 -1.14 -0.32 1.13 3.86 0.27 -0.03 115.15 118.90 2dba h HIS 68 Ca 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.31 2dba h HIS 68 Cb 0.87 0.44 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 2dba h HIS 68 CO 0.11 -0.58 0.50 0.07 0.86 0.00 0.00 177.93 178.88 2dba h ARG 69 N -0.88 0.00 0.00 2.45 0.11 -1.56 -0.80 114.38 113.70 2dba h ARG 69 Ca -0.05 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2dba h ARG 69 Cb 0.77 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.85 2dba h ARG 69 CO -0.04 0.00 -0.13 -0.91 0.10 0.00 0.00 179.97 178.99 2dba h ASN 70 N 0.00 0.00 -0.67 0.08 2.35 -1.09 -3.36 115.58 112.88 2dba h ASN 70 Ca 0.15 -0.84 0.13 0.00 -0.55 0.00 0.00 56.30 55.19 2dba h ASN 70 Cb 1.16 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.40 2dba h ASN 70 CO -0.00 0.99 -0.26 0.03 -1.65 0.00 0.00 177.43 176.54 2dba h ARG 71 N -1.00 -0.08 -0.94 0.81 3.08 0.44 0.45 114.38 117.14 2dba h ARG 71 Ca -0.03 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.26 2dba h ARG 71 Cb 0.92 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.81 2dba h ARG 71 CO -0.02 -0.05 -0.04 0.00 -1.07 0.00 0.00 179.97 178.79 2dba n ALA 72 N -3.18 0.42 -0.01 0.04 0.00 -1.05 -0.71 120.51 116.01 2dba n ALA 72 Ca 0.07 1.02 -0.11 0.00 0.00 0.00 0.00 53.44 54.41 2dba n ALA 72 Cb 0.36 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 1.88 -0.78 -0.52 0.00 0.00 -1.07 0.53 119.26 119.31 2dba h ALA 73 Ca 0.54 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.50 2dba h ALA 73 Cb 1.06 0.91 -0.10 0.00 0.00 0.00 0.00 17.79 19.65 2dba h ALA 73 CO -0.91 -0.92 -0.35 0.00 0.00 0.00 0.00 179.25 177.07 2dba h HIS 75 N -0.21 -1.34 -0.93 0.00 3.86 -1.01 0.20 115.15 115.71 2dba h HIS 75 Ca 0.20 0.04 0.26 0.00 -1.16 0.00 0.00 60.37 59.71 2dba h HIS 75 Cb 0.55 0.58 -0.14 0.00 1.06 0.00 0.00 27.41 29.46 2dba h HIS 75 CO -0.62 -0.54 0.38 -0.07 0.86 0.00 0.00 177.93 177.94 2dba h LEU 76 N -0.65 0.24 -0.22 2.43 3.38 -0.10 0.27 115.31 120.66 2dba h LEU 76 Ca 0.03 0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2dba h LEU 76 Cb 0.70 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dba h LEU 76 CO -0.31 -0.11 -0.18 0.11 0.09 0.00 0.00 178.44 178.04 2dba h LYS 77 N 0.29 0.52 -2.00 1.13 6.56 -0.16 -3.17 116.57 119.74 2dba h LYS 77 Ca 0.61 -0.26 -0.08 0.00 -1.06 0.00 0.00 60.65 59.87 2dba h LYS 77 Cb 1.28 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.91 2dba h LYS 77 CO -0.61 0.83 -0.16 1.28 -2.06 0.00 0.00 179.45 178.72 2dba n LEU 78 N -4.44 5.28 -3.44 2.94 4.77 0.58 -4.73 117.00 117.96 2dba n LEU 78 Ca -0.05 -2.72 -0.25 0.00 -0.03 0.00 0.00 56.01 52.96 2dba n LEU 78 Cb 0.39 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.19 2dba n LEU 78 CO 0.41 1.29 -0.09 1.21 -1.33 0.00 0.00 177.39 178.89 2dba n GLU 79 N 1.92 -1.34 -2.19 3.23 2.13 -1.12 -4.76 120.64 118.52 2dba n GLU 79 Ca 0.18 0.08 -0.28 0.00 0.66 0.00 0.00 57.16 57.81 2dba n GLU 79 Cb 0.67 -3.83 0.02 0.00 0.27 0.00 0.00 31.44 28.57 2dba n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dba n ASP 80 N -1.69 5.23 -0.05 4.31 -0.08 0.66 -4.79 116.55 120.14 2dba n ASP 80 Ca 0.07 -3.75 0.02 0.00 -1.51 0.00 0.00 54.79 49.63 2dba n ASP 80 Cb 0.38 -0.50 0.36 0.00 2.34 0.00 0.00 41.12 43.70 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2dba h TYR 81 N 2.43 0.63 -0.40 -0.67 -1.99 -1.82 -1.51 116.97 113.64 2dba h TYR 81 Ca 0.37 0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.14 2dba h TYR 81 Cb 1.07 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 39.53 2dba h TYR 81 CO 0.90 0.43 -0.36 0.22 -0.00 0.00 0.00 178.16 179.35 2dba h ASP 82 N 0.66 -1.26 -0.19 3.88 3.58 -1.89 -0.24 116.42 120.96 2dba h ASP 82 Ca 0.17 0.18 -0.17 0.00 0.42 0.00 0.00 57.03 57.63 2dba h ASP 82 Cb -0.01 0.53 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2dba h ASP 82 CO -0.03 -0.22 -0.56 0.11 -2.88 0.00 0.00 179.24 175.67 2dba h LYS 83 N -0.16 0.71 -0.89 0.28 1.57 -1.95 -3.28 116.57 112.85 2dba h LYS 83 Ca 0.07 -0.51 0.16 0.00 -1.87 0.00 0.00 60.65 58.50 2dba h LYS 83 Cb 0.33 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.57 2dba h LYS 83 CO -0.46 1.13 -0.30 0.00 -0.57 0.00 0.00 179.45 179.25 2dba h ALA 84 N 0.58 0.34 -0.19 3.86 0.00 -0.68 -0.49 119.26 122.69 2dba h ALA 84 Ca -0.02 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2dba h ALA 84 Cb 1.18 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 2dba h ALA 84 CO 0.12 -0.52 -0.54 1.49 0.00 0.00 0.00 179.25 179.80 2dba h GLU 85 N -0.03 -0.52 -0.66 0.00 4.81 -1.11 -1.85 114.58 115.21 2dba h GLU 85 Ca 0.37 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.76 2dba h GLU 85 Cb 0.62 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.00 2dba h GLU 85 CO -0.91 -0.35 -0.28 1.15 -0.73 0.00 0.00 179.01 177.88 2dba h THR 86 N -0.54 0.20 -0.30 0.32 2.02 -1.24 -2.09 112.91 111.27 2dba h THR 86 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2dba h THR 86 Cb 0.66 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 2dba h THR 86 CO -0.46 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 174.82 2dba h GLU 87 N -0.10 -0.12 -0.74 6.66 4.39 -0.78 -2.05 114.58 121.84 2dba h GLU 87 Ca 0.28 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.06 2dba h GLU 87 Cb 0.55 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 2dba h GLU 87 CO -0.72 -0.08 -0.51 0.00 -1.16 0.00 0.00 179.01 176.53 2dba h ALA 88 N -0.53 -0.55 -0.85 3.43 0.00 -1.07 0.61 119.26 120.30 2dba h ALA 88 Ca 0.05 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.19 2dba h ALA 88 Cb 0.26 1.27 -0.15 0.00 0.00 0.00 0.00 17.79 19.16 2dba h ALA 88 CO -0.35 -0.89 -0.27 0.45 0.00 0.00 0.00 179.25 178.19 2dba n SER 89 N -5.01 -0.42 0.04 0.00 2.88 -0.81 0.60 113.62 110.91 2dba n SER 89 Ca 0.00 1.47 -0.11 0.00 -1.33 0.00 0.00 58.87 58.91 2dba n SER 89 Cb 0.25 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 2dba n SER 89 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2dba h LYS 90 N 0.00 -0.20 -0.14 -1.46 1.57 -0.50 -1.72 116.57 114.13 2dba h LYS 90 Ca 0.36 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.20 2dba h LYS 90 Cb 0.57 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 2dba h LYS 90 CO -0.86 -0.13 -0.31 0.00 -0.57 0.00 0.00 179.45 177.58 2dba h ALA 91 N 0.78 -0.33 -0.14 3.86 0.00 0.71 0.62 119.26 124.75 2dba h ALA 91 Ca 0.06 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2dba h ALA 91 Cb 0.28 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dba h ALA 91 CO -0.15 -0.78 0.19 0.82 0.00 0.00 0.00 179.25 179.33 2dba h ILE 92 N -0.37 0.39 0.05 0.00 2.04 -0.91 -0.48 117.51 118.22 2dba h ILE 92 Ca 0.10 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.66 2dba h ILE 92 Cb 0.53 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2dba h ILE 92 CO -0.35 0.00 -1.62 -0.08 0.00 0.00 0.00 178.15 176.09 2dba h GLU 93 N 0.00 0.10 -0.66 2.37 4.81 0.18 -1.42 114.58 119.96 2dba h GLU 93 Ca 0.07 -0.18 0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2dba h GLU 93 Cb 0.44 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.81 2dba h GLU 93 CO -0.00 0.82 0.23 0.87 -0.73 0.00 0.00 179.01 180.20 2dba h LYS 94 N 0.03 0.37 0.00 1.92 1.79 0.18 -3.37 116.57 117.49 2dba h LYS 94 Ca -0.26 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2dba h LYS 94 Cb 1.99 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.55 2dba h LYS 94 CO 0.11 0.25 -0.28 -3.47 -1.08 0.00 0.00 179.45 174.98 2dba n ASP 95 N -5.03 1.07 0.00 0.86 2.03 -1.16 -5.06 116.55 109.25 2dba n ASP 95 Ca 0.11 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2dba n ASP 95 Cb 0.33 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dba n GLY 96 N 2.75 3.62 2.38 0.27 0.00 -0.53 -4.95 105.19 108.72 2dba n GLY 96 Ca -0.04 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 2dba n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dba n GLY 97 N 0.00 5.95 3.32 -0.02 0.00 -1.26 -4.91 105.19 108.27 2dba n GLY 97 Ca 0.00 -2.46 -0.46 0.00 0.00 0.00 0.00 46.02 43.09 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 -2.26 6.57 0.25 1.61 2.15 -1.26 -4.86 116.67 118.86 2dba s ASP 98 Ca 0.58 -2.47 0.25 0.00 0.43 0.00 0.00 52.55 51.34 2dba s ASP 98 Cb 0.46 -2.20 0.85 0.00 -0.30 0.00 0.00 42.92 41.74 2dba s ASP 98 CO -0.09 -0.64 1.76 -0.37 -0.17 0.00 0.00 175.17 175.66 2dba h VAL 99 N 5.08 0.00 -0.21 1.11 -1.51 -1.94 -3.24 116.25 115.54 2dba h VAL 99 Ca 0.00 -0.44 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 2dba h VAL 99 Cb 1.05 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.56 2dba h VAL 99 CO 0.82 0.00 0.08 0.11 -1.23 0.00 0.00 177.57 177.35 2dba h LYS 100 N 0.00 0.31 -0.02 5.19 1.79 -1.97 -2.51 116.57 119.37 2dba h LYS 100 Ca 0.00 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.28 2dba h LYS 100 Cb 0.64 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2dba h LYS 100 CO 0.00 0.38 -0.58 0.00 -1.08 0.00 0.00 179.45 178.17 2dba h ALA 101 N 0.91 1.00 0.09 3.86 0.00 -1.86 -3.16 119.26 120.11 2dba h ALA 101 Ca 0.07 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2dba h ALA 101 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2dba h ALA 101 CO -0.00 0.72 -0.07 -0.07 0.00 0.00 0.00 179.25 179.83 2dba h LEU 102 N 0.05 -0.17 -0.99 0.00 3.38 -1.54 0.64 115.31 116.68 2dba h LEU 102 Ca -0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2dba h LEU 102 Cb 1.04 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 2dba h LEU 102 CO 0.08 -0.11 0.64 0.22 0.09 0.00 0.00 178.44 179.36 2dba h TYR 103 N -0.16 1.19 -0.00 1.13 3.20 -1.47 -1.53 116.97 119.32 2dba h TYR 103 Ca -0.00 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 2dba h TYR 103 Cb 0.15 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2dba h TYR 103 CO -0.09 0.63 -0.79 0.00 -1.64 0.00 0.00 178.16 176.27 2dba h ARG 104 N 1.18 0.09 -0.17 1.82 2.47 -1.43 -3.27 114.38 115.06 2dba h ARG 104 Ca 0.42 -0.09 0.02 0.00 -1.26 0.00 0.00 59.98 59.07 2dba h ARG 104 Cb 0.13 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 2dba h ARG 104 CO -0.16 0.83 0.05 -0.09 0.56 0.00 0.00 179.97 181.16 2dba h ARG 105 N 0.05 0.12 -0.59 0.04 2.43 0.13 -2.64 114.38 113.93 2dba h ARG 105 Ca -0.02 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 2dba h ARG 105 Cb 1.39 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.84 2dba h ARG 105 CO 0.11 0.08 0.17 0.66 -1.51 0.00 0.00 179.97 179.48 2dba h SER 106 N 0.13 0.11 -0.69 -3.80 4.64 -1.50 -0.98 113.55 111.46 2dba h SER 106 Ca 0.07 0.09 0.15 0.00 -0.47 0.00 0.00 61.79 61.64 2dba h SER 106 Cb 0.05 0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.13 2dba h SER 106 CO -0.08 0.07 0.03 1.56 -0.87 0.00 0.00 176.83 177.53 2dba h GLN 107 N 0.33 0.13 0.22 4.77 1.08 -1.55 0.53 115.11 120.62 2dba h GLN 107 Ca 0.30 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 2dba h GLN 107 Cb 0.41 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2dba h GLN 107 CO -0.34 0.08 -0.11 0.00 -0.95 0.00 0.00 178.83 177.52 2dba h ALA 108 N 1.63 -0.30 -0.79 3.87 0.00 -1.20 -3.17 119.26 119.30 2dba h ALA 108 Ca 0.37 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.28 2dba h ALA 108 Cb 0.63 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 2dba h ALA 108 CO -0.58 -0.47 0.12 -0.07 0.00 0.00 0.00 179.25 178.25 2dba h LEU 109 N -0.69 -0.15 -0.16 0.00 3.38 -0.53 -0.75 115.31 116.41 2dba h LEU 109 Ca -0.03 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2dba h LEU 109 Cb 0.48 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2dba h LEU 109 CO 0.05 -0.14 -0.33 -0.33 0.09 0.00 0.00 178.44 177.78 2dba h GLU 110 N 0.18 -0.38 -0.64 1.13 5.08 -0.92 0.20 114.58 119.24 2dba h GLU 110 Ca 0.46 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.03 2dba h GLU 110 Cb 0.85 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2dba h GLU 110 CO -0.62 -0.25 0.58 -0.22 -1.00 0.00 0.00 179.01 177.50 2dba h LYS 111 N -0.39 0.00 -0.96 2.33 1.63 -1.12 0.58 116.57 118.64 2dba h LYS 111 Ca 0.10 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.58 2dba h LYS 111 Cb 0.55 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 31.99 2dba h LYS 111 CO -0.38 0.00 0.41 1.28 -3.45 0.00 0.00 179.45 177.31 2dba n LEU 112 N -3.86 5.51 -0.72 5.20 4.77 0.57 -4.85 117.00 123.62 2dba n LEU 112 Ca 0.13 -2.91 -0.07 0.00 -0.03 0.00 0.00 56.01 53.13 2dba n LEU 112 Cb 0.82 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2dba n LEU 112 CO 0.31 0.84 -0.07 0.61 -1.33 0.00 0.00 177.39 177.76 2dba n GLY 113 N -0.53 0.67 2.45 -0.72 0.00 0.20 -4.79 105.19 102.47 2dba n GLY 113 Ca 0.40 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.68 2.37 -0.01 1.61 1.74 -0.42 -4.60 116.66 116.66 2dba n ARG 114 Ca -0.07 -2.37 0.03 0.00 -0.77 0.00 0.00 57.85 54.67 2dba n ARG 114 Cb 0.39 -2.10 0.39 0.00 -1.02 0.00 0.00 32.46 30.12 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 3.64 0.50 -1.68 0.55 3.38 -1.82 -0.99 115.31 118.89 2dba h LEU 115 Ca 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2dba h LEU 115 Cb 0.69 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dba h LEU 115 CO 0.93 0.39 0.05 0.44 0.09 0.00 0.00 178.44 180.34 2dba h ASP 116 N 0.58 0.23 0.11 -0.43 5.19 -1.96 -2.89 116.42 117.26 2dba h ASP 116 Ca 0.15 -0.02 -0.23 0.00 -0.62 0.00 0.00 57.03 56.32 2dba h ASP 116 Cb -0.01 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2dba h ASP 116 CO -0.03 0.23 -1.12 1.56 -3.12 0.00 0.00 179.24 176.77 2dba h GLN 117 N 0.26 0.24 -0.99 3.56 7.50 -1.64 -3.33 115.11 120.72 2dba h GLN 117 Ca 0.07 -0.41 0.35 0.00 0.50 0.00 0.00 58.65 59.15 2dba h GLN 117 Cb 0.09 0.15 -0.17 0.00 0.05 0.00 0.00 27.48 27.60 2dba h GLN 117 CO -0.00 1.20 0.35 0.00 -1.50 0.00 0.00 178.83 178.87 2dba h ALA 118 N -0.02 1.75 -0.40 3.87 0.00 -1.02 0.81 119.26 124.25 2dba h ALA 118 Ca -0.23 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2dba h ALA 118 Cb 1.66 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2dba h ALA 118 CO 0.08 -0.75 -0.03 0.28 0.00 0.00 0.00 179.25 178.83 2dba h VAL 119 N 0.06 1.27 -0.46 0.00 2.07 -1.67 -0.49 116.25 117.02 2dba h VAL 119 Ca 0.73 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 2dba h VAL 119 Cb 1.76 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 2dba h VAL 119 CO -0.79 0.36 0.04 -0.07 0.02 0.00 0.00 177.57 177.12 2dba h LEU 120 N 0.54 0.70 -0.29 2.57 3.38 0.38 0.90 115.31 123.48 2dba h LEU 120 Ca 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2dba h LEU 120 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dba h LEU 120 CO 0.03 0.74 -0.08 0.44 0.09 0.00 0.00 178.44 179.65 2dba h ASP 121 N 0.70 0.00 0.00 -0.43 5.19 -0.61 -3.33 116.42 117.94 2dba h ASP 121 Ca 0.15 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 2dba h ASP 121 Cb 0.37 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2dba h ASP 121 CO 0.01 0.08 -0.46 -0.07 -3.12 0.00 0.00 179.24 175.69 2dba h LEU 122 N 0.00 0.00 -1.15 1.55 3.38 -0.43 -3.33 115.31 115.33 2dba h LEU 122 Ca -0.00 -0.57 0.33 0.00 0.09 0.00 0.00 57.88 57.73 2dba h LEU 122 Cb 0.97 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2dba h LEU 122 CO 0.01 1.05 1.19 0.00 0.09 0.00 0.00 178.44 180.78 2dba n GLN 123 N -4.58 0.01 0.08 1.13 6.02 0.25 0.62 117.38 120.91 2dba n GLN 123 Ca -0.15 0.97 -0.09 0.00 -0.01 0.00 0.00 57.00 57.71 2dba n GLN 123 Cb 0.44 -2.37 -0.06 0.00 1.02 0.00 0.00 30.24 29.27 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 -0.28 -0.02 -1.09 3.08 -1.70 -2.86 114.38 111.51 2dba h ARG 124 Ca 0.55 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.62 2dba h ARG 124 Cb 2.91 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 33.03 2dba h ARG 124 CO -0.01 0.06 0.31 0.00 -1.07 0.00 0.00 179.97 179.26 2dba h VAL 126 N 0.00 1.26 0.91 0.00 2.07 -1.42 -3.19 116.25 115.88 2dba h VAL 126 Ca 0.01 -2.76 -0.04 0.00 0.82 0.00 0.00 66.70 64.72 2dba h VAL 126 Cb 0.64 2.96 0.01 0.00 -1.52 0.00 0.00 31.29 33.37 2dba h VAL 126 CO -0.00 0.84 -0.44 -1.28 0.02 0.00 0.00 177.57 176.71 2dba h SER 127 N 0.12 -1.03 -0.73 0.57 0.87 -0.51 -3.07 113.55 109.77 2dba h SER 127 Ca -0.24 0.04 0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2dba h SER 127 Cb 2.11 0.27 -0.11 0.00 -0.44 0.00 0.00 62.40 64.22 2dba h SER 127 CO 0.24 -0.70 0.15 -0.07 -0.53 0.00 0.00 176.83 175.92 2dba h LEU 128 N -1.29 -0.05 -7.70 2.23 4.07 -1.67 -3.27 115.31 107.62 2dba h LEU 128 Ca -0.12 0.15 -0.70 0.00 0.08 0.00 0.00 57.88 57.29 2dba h LEU 128 Cb 0.93 0.22 -0.34 0.00 1.08 0.00 0.00 40.66 42.55 2dba h LEU 128 CO 0.20 -0.06 -0.41 -1.61 -1.08 0.00 0.00 178.44 175.48 2dba s GLU 129 N -6.06 2.42 0.51 1.13 0.41 -1.17 -4.92 118.70 111.03 2dba s GLU 129 Ca -0.13 -2.22 0.30 0.00 -0.41 0.00 0.00 54.97 52.51 2dba s GLU 129 Cb 0.21 -3.73 1.26 0.00 -1.78 0.00 0.00 34.13 30.09 2dba s GLU 129 CO 0.75 -1.15 1.95 -1.00 -0.49 0.00 0.00 175.26 175.33 2dba h PRO 130 N 7.54 0.00 0.04 0.39 0.13 -1.60 -3.22 132.00 135.27 2dba h PRO 130 Ca -0.07 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.77 2dba h PRO 130 Cb 1.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 2dba h PRO 130 CO 0.73 0.09 -1.58 1.63 -0.23 0.00 0.00 178.00 178.64 2dba n LYS 131 N -3.25 0.63 -1.48 0.86 4.76 -1.26 -4.84 118.16 113.58 2dba n LYS 131 Ca 0.00 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 55.56 2dba n LYS 131 Cb 0.33 -1.72 -0.18 0.00 -1.84 0.00 0.00 35.03 31.62 2dba n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dba n ASN 132 N -4.10 -0.37 0.23 4.39 4.13 -1.22 -4.70 115.26 113.62 2dba n ASN 132 Ca -0.33 -0.09 0.12 0.00 1.68 0.00 0.00 54.58 55.95 2dba n ASN 132 Cb 0.82 -0.76 0.35 0.00 -1.54 0.00 0.00 39.78 38.65 2dba n ASN 132 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 2dba h LYS 133 N 11.47 0.00 -0.43 3.52 -0.00 -1.88 -3.15 116.57 126.09 2dba h LYS 133 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 60.65 60.76 2dba h LYS 133 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.44 2dba h LYS 133 CO 1.46 0.11 0.31 0.28 -0.00 0.00 0.00 179.45 181.61 2dba h VAL 134 N 0.00 0.76 0.00 0.07 2.07 -1.98 -0.87 116.25 116.30 2dba h VAL 134 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2dba h VAL 134 Cb 0.86 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2dba h VAL 134 CO 0.01 0.00 -0.14 -0.26 0.02 0.00 0.00 177.57 177.20 2dba h PHE 135 N 0.00 0.00 -0.99 1.57 0.04 -1.92 -2.86 116.94 112.79 2dba h PHE 135 Ca 0.20 0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.21 2dba h PHE 135 Cb 0.83 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.90 2dba h PHE 135 CO 0.00 0.51 0.65 1.96 -0.60 0.00 0.00 178.31 180.83 2dba h GLN 136 N -1.00 0.37 0.01 1.51 4.20 -1.58 0.41 115.11 119.02 2dba h GLN 136 Ca -0.03 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 2dba h GLN 136 Cb 0.54 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2dba h GLN 136 CO -0.02 0.24 -0.88 1.05 -0.67 0.00 0.00 178.83 178.55 2dba h GLU 137 N 0.38 0.10 0.00 1.46 4.11 -1.29 -3.10 114.58 116.23 2dba h GLU 137 Ca 0.53 -0.12 -0.10 0.00 0.07 0.00 0.00 59.36 59.75 2dba h GLU 137 Cb 1.39 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2dba h GLU 137 CO -0.22 0.92 -0.49 0.00 0.07 0.00 0.00 179.01 179.29 2dba h ALA 138 N 1.04 0.91 -0.01 1.06 0.00 -0.04 -2.56 119.26 119.66 2dba h ALA 138 Ca -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2dba h ALA 138 Cb 1.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2dba h ALA 138 CO 0.13 0.61 -0.02 1.25 0.00 0.00 0.00 179.25 181.22 2dba h LEU 139 N 0.00 0.03 -1.10 0.00 7.12 -0.95 -2.96 115.31 117.46 2dba h LEU 139 Ca -0.00 -0.58 0.00 0.00 0.13 0.00 0.00 57.88 57.42 2dba h LEU 139 Cb 1.06 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2dba h LEU 139 CO 0.06 0.61 0.00 0.03 -0.13 0.00 0.00 178.44 179.01 2dba h ARG 140 N -0.54 0.00 -0.03 1.25 2.47 -1.58 0.16 114.38 116.10 2dba h ARG 140 Ca 0.00 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.49 2dba h ARG 140 Cb 0.60 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.93 2dba h ARG 140 CO 0.00 0.00 -0.92 -0.91 0.56 0.00 0.00 179.97 178.71 2dba h ASN 141 N 0.00 0.70 0.36 7.04 4.21 -1.38 -2.74 115.58 123.76 2dba h ASN 141 Ca 0.00 -0.53 0.00 0.00 1.21 0.00 0.00 56.30 56.98 2dba h ASN 141 Cb 0.41 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2dba h ASN 141 CO 0.00 1.32 -1.64 2.30 -1.29 0.00 0.00 177.43 178.12 2dba n ILE 142 N -3.82 0.22 0.09 2.81 -5.35 -1.06 -4.21 119.36 108.04 2dba n ILE 142 Ca -0.08 -0.52 -0.08 0.00 -0.27 0.00 0.00 62.75 61.81 2dba n ILE 142 Cb 0.82 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 2dba n ILE 142 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2dba h SER 143 N 0.00 0.24 -2.84 7.28 0.87 -0.77 -3.45 113.55 114.88 2dba h SER 143 Ca 0.00 -0.19 -0.60 0.00 -1.23 0.00 0.00 61.79 59.77 2dba h SER 143 Cb 1.00 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.78 2dba h SER 143 CO 0.00 0.98 -0.64 -0.83 -0.53 0.00 0.00 176.83 175.82 2dba s GLY 144 N -4.50 1.73 -0.27 5.77 0.00 -1.04 -5.05 107.32 103.95 2dba s GLY 144 Ca -0.03 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.08 2dba s GLY 144 CO 0.82 -1.34 1.65 2.56 0.00 0.00 0.00 173.10 176.79 2dba s PRO 145 N -2.97 3.64 0.21 2.90 0.04 -1.26 -4.82 135.00 132.74 2dba s PRO 145 Ca 0.28 1.52 0.10 0.00 0.04 0.00 0.00 61.00 62.94 2dba s PRO 145 Cb -0.09 -4.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 2dba s PRO 145 CO 0.20 -1.49 -0.19 -1.54 0.04 0.00 0.00 177.00 174.02 2dba s SER 146 N 4.75 3.06 -0.57 6.66 1.04 -1.26 -5.10 113.70 122.27 2dba s SER 146 Ca 0.73 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 56.00 2dba s SER 146 Cb -0.23 -0.21 0.06 0.00 0.10 0.00 0.00 66.02 65.73 2dba s SER 146 CO 0.31 -0.01 0.87 -0.55 0.98 0.00 0.00 173.24 174.84 2dba s SER 147 N -3.01 6.26 0.00 7.02 0.15 -1.26 -5.18 113.70 117.69 2dba s SER 147 Ca 0.22 -0.69 0.10 0.00 0.70 0.00 0.00 55.95 56.28 2dba s SER 147 Cb -0.05 -2.39 0.08 0.00 -1.71 0.00 0.00 66.02 61.94 2dba s SER 147 CO 0.09 -1.21 0.82 0.61 1.20 0.00 0.00 173.24 174.76