#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q87 s THR 6 N 0.00 1.75 0.02 0.55 -1.32 -1.26 0.10 115.64 115.48 2q87 s THR 6 Ca 0.00 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2q87 s THR 6 Cb 0.00 -1.48 -0.02 0.00 -1.51 0.00 0.00 72.50 69.50 2q87 s THR 6 CO 0.00 0.49 -0.05 -0.69 -2.21 0.00 0.00 174.62 172.16 2q87 s VAL 7 N -0.19 0.31 0.00 5.08 1.01 -0.18 -4.92 120.40 121.52 2q87 s VAL 7 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2q87 s VAL 7 Cb -0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.88 2q87 s VAL 7 CO 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 175.10 174.81 2q87 s ALA 8 N -1.05 0.04 0.17 5.51 0.00 -1.26 -0.55 121.76 124.62 2q87 s ALA 8 Ca -0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 2q87 s ALA 8 Cb -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2q87 s ALA 8 CO -0.00 -0.02 0.25 0.20 0.00 0.00 0.00 175.76 176.19 2q87 s GLY 9 N -0.22 0.65 0.37 0.00 0.00 -0.90 -4.98 107.32 102.25 2q87 s GLY 9 Ca -0.02 -1.05 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 2q87 s GLY 9 CO -0.00 -0.95 0.82 2.56 0.00 0.00 0.00 173.10 175.52 2q87 s PRO 10 N -4.00 4.04 -0.01 2.90 0.04 -1.26 -1.61 135.00 135.10 2q87 s PRO 10 Ca 0.21 0.80 -0.38 0.00 0.04 0.00 0.00 61.00 61.66 2q87 s PRO 10 Cb 0.04 -2.33 -0.17 0.00 0.04 0.00 0.00 34.50 32.07 2q87 s PRO 10 CO 0.02 0.06 1.34 0.28 0.04 0.00 0.00 177.00 178.74 2q87 n VAL 11 N -0.61 0.04 0.00 -0.36 0.31 0.30 -0.54 118.33 117.46 2q87 n VAL 11 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2q87 n VAL 11 Cb 0.54 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 2q87 n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q87 n GLY 12 N 2.58 1.75 0.00 2.92 0.00 -0.55 -4.24 105.19 107.64 2q87 n GLY 12 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2q87 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q87 n GLY 13 N -2.00 0.87 3.28 -0.02 0.00 0.29 -4.45 105.19 103.16 2q87 n GLY 13 Ca 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 2q87 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q87 s SER 14 N -1.00 1.96 -0.01 1.61 1.04 -1.26 -0.89 113.70 115.15 2q87 s SER 14 Ca 0.00 -1.03 -0.03 0.00 0.48 0.00 0.00 55.95 55.36 2q87 s SER 14 Cb 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.08 2q87 s SER 14 CO 0.00 -0.31 0.07 -0.22 0.98 0.00 0.00 173.24 173.76 2q87 s LEU 15 N -3.21 1.79 0.04 2.42 0.20 -0.32 -4.80 118.68 114.80 2q87 s LEU 15 Ca 0.19 -0.13 0.05 0.00 0.69 0.00 0.00 54.13 54.93 2q87 s LEU 15 Cb 0.02 0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 46.12 2q87 s LEU 15 CO 0.02 -0.21 -0.15 -0.94 -0.29 0.00 0.00 176.35 174.79 2q87 s SER 16 N -0.80 1.72 -0.12 3.68 1.04 -1.26 -0.58 113.70 117.38 2q87 s SER 16 Ca -0.09 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2q87 s SER 16 Cb -0.05 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.96 2q87 s SER 16 CO 0.00 0.04 -0.20 -0.69 0.98 0.00 0.00 173.24 173.38 2q87 s VAL 17 N -0.84 1.84 -0.21 5.02 1.01 -0.10 -4.99 120.40 122.13 2q87 s VAL 17 Ca 0.02 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2q87 s VAL 17 Cb -0.08 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2q87 s VAL 17 CO 0.01 0.51 0.21 -1.58 0.00 0.00 0.00 175.10 174.25 2q87 s GLN 18 N 0.81 4.15 -0.23 2.72 0.74 -1.26 -1.41 119.66 125.18 2q87 s GLN 18 Ca -0.09 -0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.18 2q87 s GLN 18 Cb -0.16 -3.49 0.01 0.00 1.10 0.00 0.00 33.01 30.47 2q87 s GLN 18 CO -0.00 0.13 -0.07 0.00 -0.55 0.00 0.00 175.29 174.80 2q87 s PRO 20 N 1.39 3.63 0.28 0.00 0.04 -1.26 -0.68 135.00 138.40 2q87 s PRO 20 Ca 0.04 0.45 -0.09 0.00 0.04 0.00 0.00 61.00 61.44 2q87 s PRO 20 Cb -0.15 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 2q87 s PRO 20 CO -0.05 -0.28 0.46 1.52 0.04 0.00 0.00 177.00 178.69 2q87 s TYR 21 N -2.79 0.64 0.31 0.56 1.13 -0.14 -4.92 117.35 112.14 2q87 s TYR 21 Ca 0.51 -0.97 -0.04 0.00 -1.41 0.00 0.00 57.07 55.16 2q87 s TYR 21 Cb -0.10 0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.78 2q87 s TYR 21 CO 0.44 -1.04 0.57 -1.21 -2.51 0.00 0.00 175.55 171.80 2q87 s GLU 22 N -3.63 3.60 0.32 -3.49 2.02 -1.26 -4.71 118.70 111.54 2q87 s GLU 22 Ca 0.26 -0.04 0.09 0.00 0.02 0.00 0.00 54.97 55.30 2q87 s GLU 22 Cb -0.00 -2.63 0.90 0.00 0.10 0.00 0.00 34.13 32.50 2q87 s GLU 22 CO 0.13 0.17 1.69 1.57 0.02 0.00 0.00 175.26 178.84 2q87 h LYS 23 N 1.40 0.41 0.00 1.61 2.10 -1.98 0.55 116.57 120.67 2q87 h LYS 23 Ca -0.48 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2q87 h LYS 23 Cb 1.20 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2q87 h LYS 23 CO 0.65 0.27 0.00 0.93 -2.00 0.00 0.00 179.45 179.30 2q87 h GLU 24 N 0.43 0.00 -0.00 0.07 3.07 -2.03 -2.35 114.58 113.77 2q87 h GLU 24 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 2q87 h GLU 24 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2q87 h GLU 24 CO -0.54 0.00 -0.29 0.72 -1.40 0.00 0.00 179.01 177.49 2q87 n HIS 25 N -2.38 0.00 -0.33 4.33 8.25 0.18 -4.53 115.22 120.75 2q87 n HIS 25 Ca 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.71 2q87 n HIS 25 Cb 0.14 -0.18 0.47 0.00 1.12 0.00 0.00 29.99 31.54 2q87 n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2q87 h ARG 26 N 0.76 0.09 -0.05 -0.41 3.08 -1.51 -1.60 114.38 114.73 2q87 h ARG 26 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2q87 h ARG 26 Cb 0.48 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2q87 h ARG 26 CO 0.00 0.06 0.00 0.25 -1.07 0.00 0.00 179.97 179.21 2q87 n THR 27 N -5.26 0.03 -1.72 2.04 -2.24 -1.26 -4.80 114.28 101.07 2q87 n THR 27 Ca 0.32 -0.52 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 2q87 n THR 27 Cb 1.05 1.41 0.03 0.00 -2.10 0.00 0.00 70.33 70.73 2q87 n THR 27 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2q87 s LEU 28 N -1.75 3.22 0.24 3.22 1.43 -0.60 -4.99 118.68 119.44 2q87 s LEU 28 Ca 0.26 1.61 -0.31 0.00 -1.03 0.00 0.00 54.13 54.66 2q87 s LEU 28 Cb 0.18 -4.50 -0.11 0.00 0.03 0.00 0.00 46.19 41.79 2q87 s LEU 28 CO 0.27 -1.28 1.63 0.21 0.23 0.00 0.00 176.35 177.41 2q87 s ASN 29 N -3.69 6.41 -0.05 2.29 2.47 -1.26 -4.88 114.94 116.23 2q87 s ASN 29 Ca 0.58 2.86 0.03 0.00 0.42 0.00 0.00 52.86 56.76 2q87 s ASN 29 Cb -0.14 -2.62 -0.03 0.00 -1.45 0.00 0.00 41.25 37.02 2q87 s ASN 29 CO 0.51 -0.92 -0.13 -0.54 -3.72 0.00 0.00 177.10 172.31 2q87 s LYS 30 N 0.36 2.54 0.25 0.43 -0.14 -1.26 -0.67 119.74 121.25 2q87 s LYS 30 Ca 0.68 -0.68 -0.05 0.00 -1.36 0.00 0.00 55.97 54.57 2q87 s LYS 30 Cb -0.48 -2.42 -0.02 0.00 -1.68 0.00 0.00 37.83 33.24 2q87 s LYS 30 CO 0.39 0.63 0.32 1.52 -0.76 0.00 0.00 175.35 177.45 2q87 s TYR 31 N -0.76 0.93 -0.02 3.18 -0.85 -0.05 -0.95 117.35 118.81 2q87 s TYR 31 Ca 0.12 -1.17 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 2q87 s TYR 31 Cb -0.11 -0.24 0.03 0.00 0.38 0.00 0.00 41.96 42.02 2q87 s TYR 31 CO 0.01 -0.86 0.02 -0.46 -1.52 0.00 0.00 175.55 172.73 2q87 s TRP 32 N -3.86 0.17 0.15 -3.49 -0.11 -0.86 -1.43 118.94 109.50 2q87 s TRP 32 Ca 0.32 0.07 -0.21 0.00 1.22 0.00 0.00 56.10 57.49 2q87 s TRP 32 Cb 0.03 -0.32 0.06 0.00 -1.50 0.00 0.00 33.47 31.74 2q87 s TRP 32 CO 0.14 -0.11 0.55 0.00 -4.62 0.00 0.00 176.95 172.91 2q87 s ARG 34 N -3.69 3.84 0.21 0.00 0.52 -1.26 0.58 118.95 119.15 2q87 s ARG 34 Ca 0.01 1.13 -0.31 0.00 -0.52 0.00 0.00 55.73 56.05 2q87 s ARG 34 Cb -0.00 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 2q87 s ARG 34 CO -0.12 -0.37 1.56 -2.14 0.02 0.00 0.00 175.30 174.25 2q87 s PRO 35 N -3.69 4.20 0.59 3.54 0.02 -1.26 -4.51 135.00 133.89 2q87 s PRO 35 Ca 0.62 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 64.03 2q87 s PRO 35 Cb -0.12 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.31 2q87 s PRO 35 CO 0.26 -0.58 0.86 -1.25 -0.33 0.00 0.00 177.00 175.96 2q87 s PRO 36 N 0.48 2.63 0.00 5.54 0.04 -1.26 -5.00 135.00 137.43 2q87 s PRO 36 Ca 0.67 -0.38 0.14 0.00 0.04 0.00 0.00 61.00 61.47 2q87 s PRO 36 Cb -0.45 -2.35 0.27 0.00 0.04 0.00 0.00 34.50 32.01 2q87 s PRO 36 CO 0.37 -0.78 1.16 1.04 0.04 0.00 0.00 177.00 178.83 2q87 n GLN 37 N -2.53 2.01 -4.41 4.56 6.02 -1.26 -4.98 117.38 116.80 2q87 n GLN 37 Ca 0.06 -1.83 -0.21 0.00 -0.01 0.00 0.00 57.00 55.01 2q87 n GLN 37 Cb 0.59 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 30.44 2q87 n GLN 37 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2q87 s ILE 38 N -1.09 0.73 0.17 5.09 1.01 -1.26 -5.06 121.20 120.79 2q87 s ILE 38 Ca 0.24 -2.00 -0.12 0.00 0.00 0.00 0.00 60.65 58.77 2q87 s ILE 38 Cb 0.14 -2.59 0.08 0.00 0.01 0.00 0.00 42.46 40.09 2q87 s ILE 38 CO 0.19 0.00 1.75 -0.26 0.00 0.00 0.00 174.94 176.63 2q87 h PHE 39 N 2.12 0.86 -3.48 3.97 0.04 -1.93 -3.41 116.94 115.10 2q87 h PHE 39 Ca -0.37 -0.05 -0.60 0.00 2.80 0.00 0.00 57.97 59.75 2q87 h PHE 39 Cb 1.25 -0.27 -0.11 0.00 2.20 0.00 0.00 35.95 39.02 2q87 h PHE 39 CO 0.86 0.67 -0.19 -0.51 -0.60 0.00 0.00 178.31 178.53 2q87 s LEU 40 N -9.84 4.15 0.59 1.54 1.02 -1.26 -1.77 118.68 113.11 2q87 s LEU 40 Ca -0.13 0.52 -0.14 0.00 0.02 0.00 0.00 54.13 54.39 2q87 s LEU 40 Cb 0.13 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.77 2q87 s LEU 40 CO 0.78 -0.08 1.03 0.00 0.02 0.00 0.00 176.35 178.10 2q87 s ASP 42 N -3.32 6.18 -0.17 0.00 2.15 -1.26 -4.96 116.67 115.29 2q87 s ASP 42 Ca 0.59 -1.06 -0.29 0.00 0.43 0.00 0.00 52.55 52.22 2q87 s ASP 42 Cb -0.13 -2.40 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2q87 s ASP 42 CO 0.41 -1.40 1.37 -0.54 -0.17 0.00 0.00 175.17 174.84 2q87 s LYS 43 N 3.89 4.14 -0.03 4.34 1.02 -1.26 -4.43 119.74 127.41 2q87 s LYS 43 Ca 0.21 1.70 -0.22 0.00 0.02 0.00 0.00 55.97 57.67 2q87 s LYS 43 Cb -0.18 -3.84 -0.26 0.00 -0.52 0.00 0.00 37.83 33.04 2q87 s LYS 43 CO 0.09 -0.84 1.01 0.82 -0.92 0.00 0.00 175.35 175.51 2q87 h ILE 44 N 5.63 1.50 -3.85 2.17 2.04 -1.46 -3.45 117.51 120.09 2q87 h ILE 44 Ca -0.29 -2.18 -0.12 0.00 1.00 0.00 0.00 64.86 63.27 2q87 h ILE 44 Cb 1.12 2.85 -0.17 0.00 -0.74 0.00 0.00 36.82 39.87 2q87 h ILE 44 CO 0.98 0.61 -0.54 0.68 0.00 0.00 0.00 178.15 179.89 2q87 s VAL 45 N -2.93 0.14 0.07 1.67 -7.23 -1.24 -4.66 120.40 106.23 2q87 s VAL 45 Ca -0.14 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 58.68 2q87 s VAL 45 Cb 0.02 -0.96 0.04 0.00 0.56 0.00 0.00 36.38 36.03 2q87 s VAL 45 CO 0.79 -0.64 0.44 -1.83 -0.31 0.00 0.00 175.10 173.55 2q87 s GLU 46 N -2.78 1.00 0.29 4.82 -1.05 -0.50 -2.03 118.70 118.45 2q87 s GLU 46 Ca -0.03 -0.44 0.15 0.00 -0.15 0.00 0.00 54.97 54.49 2q87 s GLU 46 Cb -0.00 0.45 0.14 0.00 -0.44 0.00 0.00 34.13 34.28 2q87 s GLU 46 CO -0.05 -0.36 1.48 1.79 0.95 0.00 0.00 175.26 179.06 2q87 h THR 47 N 2.74 0.91 0.00 1.83 1.35 -1.33 -3.13 112.91 115.28 2q87 h THR 47 Ca -0.32 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 2q87 h THR 47 Cb 1.22 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 2q87 h THR 47 CO 0.44 0.50 -0.54 0.29 -0.25 0.00 0.00 175.52 175.96 2q87 n LYS 48 N -3.27 2.04 -1.40 4.72 5.02 -1.26 -4.86 118.16 119.14 2q87 n LYS 48 Ca 0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 2q87 n LYS 48 Cb 0.71 -0.77 0.16 0.00 -0.02 0.00 0.00 35.03 35.12 2q87 n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q87 n GLY 49 N 1.89 -1.55 0.08 0.72 0.00 -1.26 -4.97 105.19 100.10 2q87 n GLY 49 Ca 0.00 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.45 2q87 n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q87 n SER 50 N -3.74 0.43 0.14 1.61 3.41 -1.26 -3.16 113.62 111.05 2q87 n SER 50 Ca 0.13 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2q87 n SER 50 Cb 0.45 -0.69 0.66 0.00 -0.26 0.00 0.00 64.21 64.37 2q87 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q87 h ALA 51 N 2.44 2.21 0.00 7.33 0.00 -1.89 -3.49 119.26 125.87 2q87 h ALA 51 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q87 h ALA 51 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2q87 h ALA 51 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2q87 n GLY 52 N -1.58 -0.69 0.17 0.00 0.00 -1.19 -4.78 105.19 97.12 2q87 n GLY 52 Ca 0.03 -1.64 0.06 0.00 0.00 0.00 0.00 46.02 44.47 2q87 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q87 h LYS 53 N 0.00 0.00 -4.26 1.61 1.57 -1.87 -1.31 116.57 112.31 2q87 h LYS 53 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 2q87 h LYS 53 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 2q87 h LYS 53 CO 0.00 0.29 -0.78 0.50 -0.57 0.00 0.00 179.45 178.88 2q87 s ARG 54 N -3.07 1.06 -0.25 3.15 3.52 -1.26 -1.18 118.95 120.93 2q87 s ARG 54 Ca 0.05 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.39 2q87 s ARG 54 Cb 0.07 -0.97 0.09 0.00 -1.56 0.00 0.00 34.95 32.57 2q87 s ARG 54 CO 0.72 -0.01 0.14 -0.80 -0.81 0.00 0.00 175.30 174.54 2q87 s ASN 55 N 0.68 2.79 1.90 -2.12 -0.87 -0.38 -5.02 114.94 111.92 2q87 s ASN 55 Ca -0.11 -0.93 0.00 0.00 -1.57 0.00 0.00 52.86 50.25 2q87 s ASN 55 Cb -0.13 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2q87 s ASN 55 CO 0.01 -0.40 0.00 0.61 -2.57 0.00 0.00 177.10 174.76 2q87 n GLY 56 N 5.27 3.43 0.00 0.66 0.00 -1.26 -2.09 105.19 111.20 2q87 n GLY 56 Ca -0.06 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2q87 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q87 n ARG 57 N 13.79 0.45 -4.78 1.61 1.74 -1.26 -4.76 116.66 123.46 2q87 n ARG 57 Ca 0.00 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.80 2q87 n ARG 57 Cb 0.00 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 2q87 n ARG 57 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2q87 s VAL 58 N -2.40 3.27 0.11 1.55 1.01 -0.89 -0.81 120.40 122.24 2q87 s VAL 58 Ca 0.26 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2q87 s VAL 58 Cb 0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 2q87 s VAL 58 CO 0.33 0.58 0.16 -0.94 0.00 0.00 0.00 175.10 175.23 2q87 s SER 59 N -0.51 0.18 -0.00 3.32 1.04 -0.65 -1.25 113.70 115.83 2q87 s SER 59 Ca 0.07 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.67 2q87 s SER 59 Cb -0.12 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 2q87 s SER 59 CO 0.02 -0.76 -0.04 -0.51 0.98 0.00 0.00 173.24 172.93 2q87 s ILE 60 N -3.92 0.33 -0.03 -1.02 2.07 -0.32 -0.44 121.20 117.86 2q87 s ILE 60 Ca 0.11 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 2q87 s ILE 60 Cb 0.05 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.38 2q87 s ILE 60 CO -0.06 0.10 -0.01 0.00 -1.91 0.00 0.00 174.94 173.06 2q87 s ARG 61 N -0.06 0.38 -0.01 3.50 1.70 -0.48 -4.85 118.95 119.12 2q87 s ARG 61 Ca 0.01 0.03 -0.07 0.00 -0.47 0.00 0.00 55.73 55.24 2q87 s ARG 61 Cb -0.02 -0.51 -0.05 0.00 -0.57 0.00 0.00 34.95 33.80 2q87 s ARG 61 CO -0.00 -0.11 0.25 0.34 -1.08 0.00 0.00 175.30 174.70 2q87 s ASP 62 N 0.90 6.49 -0.51 -2.89 3.68 -1.26 -0.54 116.67 122.54 2q87 s ASP 62 Ca -0.10 0.56 0.05 0.00 2.13 0.00 0.00 52.55 55.19 2q87 s ASP 62 Cb -0.13 -2.09 0.19 0.00 -1.45 0.00 0.00 42.92 39.44 2q87 s ASP 62 CO -0.01 0.28 0.46 -1.20 0.13 0.00 0.00 175.17 174.82 2q87 n SER 63 N 1.27 1.00 -0.26 -0.34 7.64 0.17 -4.96 113.62 118.13 2q87 n SER 63 Ca -0.13 -2.76 0.19 0.00 1.01 0.00 0.00 58.87 57.18 2q87 n SER 63 Cb 0.53 -0.63 0.49 0.00 -1.01 0.00 0.00 64.21 63.59 2q87 n SER 63 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2q87 h PRO 64 N 5.12 0.44 0.00 1.43 0.13 -1.87 -0.81 132.00 136.43 2q87 h PRO 64 Ca 0.20 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 2q87 h PRO 64 Cb 0.84 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2q87 h PRO 64 CO 0.53 0.29 -0.08 0.00 -0.23 0.00 0.00 178.00 178.51 2q87 h ALA 65 N 1.61 1.52 -0.07 -0.56 0.00 -1.93 -0.32 119.26 119.51 2q87 h ALA 65 Ca 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2q87 h ALA 65 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2q87 h ALA 65 CO -0.21 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.23 2q87 n ASN 66 N -3.93 2.52 -3.42 0.00 3.02 -0.37 -5.00 115.26 108.08 2q87 n ASN 66 Ca -0.02 -1.74 -0.19 0.00 -0.03 0.00 0.00 54.58 52.60 2q87 n ASN 66 Cb 0.17 -0.03 0.08 0.00 -0.61 0.00 0.00 39.78 39.39 2q87 n ASN 66 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2q87 n LEU 67 N 0.98 -3.80 -3.50 3.41 7.99 -0.13 -4.93 117.00 117.01 2q87 n LEU 67 Ca 0.11 -0.58 -0.13 0.00 -0.01 0.00 0.00 56.01 55.40 2q87 n LEU 67 Cb 0.44 -3.04 -0.03 0.00 -0.11 0.00 0.00 43.42 40.67 2q87 n LEU 67 CO 0.11 0.46 0.33 -0.94 -1.51 0.00 0.00 177.39 175.84 2q87 s SER 68 N -4.01 -0.49 0.14 -1.43 1.04 -1.16 -0.97 113.70 106.81 2q87 s SER 68 Ca 0.18 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.69 2q87 s SER 68 Cb -0.08 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2q87 s SER 68 CO 0.71 -0.87 -0.11 0.72 0.98 0.00 0.00 173.24 174.67 2q87 s PHE 69 N -3.28 1.29 -0.07 5.02 -0.12 0.14 -0.65 117.98 120.30 2q87 s PHE 69 Ca -0.01 -0.69 0.04 0.00 -0.05 0.00 0.00 56.93 56.22 2q87 s PHE 69 Cb -0.00 -0.66 0.00 0.00 -0.63 0.00 0.00 43.02 41.73 2q87 s PHE 69 CO -0.09 0.10 -0.19 0.99 -0.05 0.00 0.00 175.22 175.98 2q87 s THR 70 N -2.91 1.65 -0.17 -4.49 2.01 0.30 -0.14 115.64 111.89 2q87 s THR 70 Ca 0.14 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2q87 s THR 70 Cb -0.00 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2q87 s THR 70 CO 0.01 0.47 0.12 -0.69 -0.69 0.00 0.00 174.62 173.84 2q87 s VAL 71 N 0.28 5.34 -0.07 3.82 1.01 -0.50 -1.38 120.40 128.90 2q87 s VAL 71 Ca -0.12 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2q87 s VAL 71 Cb -0.15 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 2q87 s VAL 71 CO 0.05 0.51 -0.21 -0.89 0.00 0.00 0.00 175.10 174.56 2q87 s THR 72 N -0.18 1.78 -0.19 3.92 2.01 0.42 -0.92 115.64 122.48 2q87 s THR 72 Ca 0.10 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 2q87 s THR 72 Cb -0.12 -1.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 2q87 s THR 72 CO 0.01 0.50 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.57 2q87 s LEU 73 N 0.18 2.66 0.27 4.42 1.02 0.25 -1.63 118.68 125.85 2q87 s LEU 73 Ca -0.11 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.65 2q87 s LEU 73 Cb -0.15 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 2q87 s LEU 73 CO 0.05 0.04 0.42 -1.61 0.02 0.00 0.00 176.35 175.26 2q87 s GLU 74 N 1.12 3.45 -1.23 1.70 0.41 0.01 -1.17 118.70 122.99 2q87 s GLU 74 Ca 0.01 -0.64 -0.25 0.00 -0.41 0.00 0.00 54.97 53.67 2q87 s GLU 74 Cb -0.14 -2.82 0.02 0.00 -1.78 0.00 0.00 34.13 29.40 2q87 s GLU 74 CO -0.03 0.35 0.65 -1.71 -0.49 0.00 0.00 175.26 174.03 2q87 n ASN 75 N -1.52 -3.88 -4.73 -0.19 2.85 -0.73 -4.81 115.26 102.25 2q87 n ASN 75 Ca -0.08 -1.19 -0.39 0.00 -0.11 0.00 0.00 54.58 52.82 2q87 n ASN 75 Cb 0.57 -2.33 0.04 0.00 1.24 0.00 0.00 39.78 39.30 2q87 n ASN 75 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2q87 n LEU 76 N -4.69 5.21 -4.33 1.20 4.77 -0.06 -4.56 117.00 114.52 2q87 n LEU 76 Ca -0.13 0.97 -0.18 0.00 -0.03 0.00 0.00 56.01 56.64 2q87 n LEU 76 Cb 0.59 -1.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.03 2q87 n LEU 76 CO 0.73 -0.73 -0.39 0.42 -1.33 0.00 0.00 177.39 176.09 2q87 s THR 77 N -1.30 1.42 0.49 -5.08 -4.23 -1.26 -1.49 115.64 104.18 2q87 s THR 77 Ca 0.71 -2.12 0.20 0.00 -1.18 0.00 0.00 61.69 59.31 2q87 s THR 77 Cb -0.43 -2.15 0.36 0.00 1.34 0.00 0.00 72.50 71.63 2q87 s THR 77 CO 0.50 -0.51 1.99 -0.33 -0.54 0.00 0.00 174.62 175.73 2q87 h GLU 78 N 2.54 0.16 0.00 3.99 3.07 -1.96 -1.91 114.58 120.47 2q87 h GLU 78 Ca -0.38 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2q87 h GLU 78 Cb 1.22 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2q87 h GLU 78 CO 0.64 0.10 0.00 0.93 -1.40 0.00 0.00 179.01 179.28 2q87 h GLU 79 N 0.16 0.00 0.00 2.33 3.07 -1.98 -2.75 114.58 115.41 2q87 h GLU 79 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2q87 h GLU 79 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 2q87 h GLU 79 CO -0.04 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.13 2q87 h ASP 80 N 0.00 0.00 -4.28 1.42 3.32 -1.75 -3.45 116.42 111.68 2q87 h ASP 80 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2q87 h ASP 80 Cb 0.38 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.09 2q87 h ASP 80 CO 0.00 0.00 0.29 0.00 -1.72 0.00 0.00 179.24 177.81 2q87 s ALA 81 N -3.57 1.92 0.00 3.45 0.00 -1.04 -4.87 121.76 117.65 2q87 s ALA 81 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2q87 s ALA 81 Cb 0.08 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2q87 s ALA 81 CO 0.56 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 174.54 2q87 n GLY 82 N -0.44 0.72 3.74 0.00 0.00 0.55 -4.92 105.19 104.83 2q87 n GLY 82 Ca 0.11 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 2q87 n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q87 s THR 83 N -0.87 4.34 0.15 2.61 2.01 -1.26 -0.32 115.64 122.29 2q87 s THR 83 Ca 0.00 2.07 0.02 0.00 0.31 0.00 0.00 61.69 64.09 2q87 s THR 83 Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2q87 s THR 83 CO 0.00 0.38 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.97 2q87 s TYR 84 N -0.41 1.12 -0.12 4.92 2.02 0.68 -4.27 117.35 121.28 2q87 s TYR 84 Ca 0.45 -0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 2q87 s TYR 84 Cb -0.24 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 2q87 s TYR 84 CO 0.31 -0.16 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.47 2q87 s TRP 85 N -3.61 2.90 -0.21 2.71 0.51 0.20 -0.81 118.94 120.63 2q87 s TRP 85 Ca 0.19 -0.37 -0.07 0.00 -2.12 0.00 0.00 56.10 53.73 2q87 s TRP 85 Cb 0.05 -1.85 -0.04 0.00 -0.81 0.00 0.00 33.47 30.83 2q87 s TRP 85 CO 0.01 -0.02 0.07 0.00 -0.51 0.00 0.00 176.95 176.49 2q87 s GLY 87 N 0.89 0.98 -0.14 0.00 0.00 -0.52 -1.12 107.32 107.42 2q87 s GLY 87 Ca 0.04 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 2q87 s GLY 87 CO 0.03 -1.45 -0.12 0.54 0.00 0.00 0.00 173.10 172.10 2q87 s VAL 88 N -2.91 3.14 -0.41 1.40 0.11 -0.76 -0.87 120.40 120.10 2q87 s VAL 88 Ca 0.12 -0.63 -0.24 0.00 -2.93 0.00 0.00 61.98 58.30 2q87 s VAL 88 Cb 0.00 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 2q87 s VAL 88 CO 0.00 0.52 0.83 -0.62 -3.33 0.00 0.00 175.10 172.50 2q87 s ASP 89 N 0.40 6.51 0.52 3.54 -1.08 0.16 -3.97 116.67 122.74 2q87 s ASP 89 Ca -0.10 0.18 0.08 0.00 -0.52 0.00 0.00 52.55 52.19 2q87 s ASP 89 Cb -0.16 -2.41 0.04 0.00 -1.46 0.00 0.00 42.92 38.93 2q87 s ASP 89 CO 0.05 -0.87 0.55 0.42 0.52 0.00 0.00 175.17 175.84 2q87 s THR 90 N 3.34 2.11 -0.16 1.71 -4.23 -1.26 -4.43 115.64 112.73 2q87 s THR 90 Ca 0.33 -1.25 0.24 0.00 -1.18 0.00 0.00 61.69 59.83 2q87 s THR 90 Cb -0.12 -2.37 0.24 0.00 1.34 0.00 0.00 72.50 71.60 2q87 s THR 90 CO 0.21 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.37 2q87 h PRO 91 N 0.59 0.00 -7.09 3.99 0.11 -1.98 -3.45 132.00 124.17 2q87 h PRO 91 Ca -0.35 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.20 2q87 h PRO 91 Cb 1.29 0.00 0.15 0.00 0.11 0.00 0.00 31.00 32.55 2q87 h PRO 91 CO 0.50 0.00 0.56 -1.58 -0.21 0.00 0.00 178.00 177.27 2q87 s TRP 92 N -3.57 2.14 0.11 0.65 0.23 -1.26 -4.91 118.94 112.32 2q87 s TRP 92 Ca -0.02 1.43 -0.13 0.00 -2.03 0.00 0.00 56.10 55.35 2q87 s TRP 92 Cb 0.07 -3.75 -0.12 0.00 0.03 0.00 0.00 33.47 29.70 2q87 s TRP 92 CO 0.25 -2.96 1.36 1.25 0.96 0.00 0.00 176.95 177.80 2q87 h LEU 93 N 0.91 0.90 -9.18 2.99 5.85 -1.97 -3.42 115.31 111.39 2q87 h LEU 93 Ca -0.51 -0.56 -0.59 0.00 0.84 0.00 0.00 57.88 57.05 2q87 h LEU 93 Cb 1.32 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.00 2q87 h LEU 93 CO 0.55 1.30 -0.05 0.00 -0.34 0.00 0.00 178.44 179.90 2q87 s GLN 94 N -4.00 4.23 0.56 1.25 0.00 -1.26 -4.52 119.66 115.92 2q87 s GLN 94 Ca -0.11 0.45 0.24 0.00 -0.00 0.00 0.00 55.36 55.94 2q87 s GLN 94 Cb 0.09 -3.53 1.60 0.00 0.00 0.00 0.00 33.01 31.16 2q87 s GLN 94 CO 0.88 -0.08 2.20 -0.44 0.00 0.00 0.00 175.29 177.86 2q87 h ASP 95 N 7.27 0.00 -0.90 12.60 3.32 -1.61 -1.50 116.42 135.59 2q87 h ASP 95 Ca -0.35 0.00 0.24 0.00 0.02 0.00 0.00 57.03 56.94 2q87 h ASP 95 Cb 1.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 2q87 h ASP 95 CO 0.75 0.01 0.63 0.15 -1.72 0.00 0.00 179.24 179.06 2q87 h PHE 96 N 0.00 0.20 -0.05 4.55 3.57 -1.92 -1.15 116.94 122.15 2q87 h PHE 96 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2q87 h PHE 96 Cb 0.03 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2q87 h PHE 96 CO 0.00 0.04 0.00 0.72 -2.23 0.00 0.00 178.31 176.84 2q87 n HIS 97 N -4.37 0.04 -1.30 0.41 8.25 -0.56 -4.87 115.22 112.83 2q87 n HIS 97 Ca 0.19 -0.02 -0.30 0.00 -0.26 0.00 0.00 57.72 57.33 2q87 n HIS 97 Cb 0.88 0.00 0.12 0.00 1.12 0.00 0.00 29.99 32.11 2q87 n HIS 97 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2q87 s ASP 98 N -1.92 3.79 -0.04 0.41 1.01 -0.44 -4.98 116.67 114.50 2q87 s ASP 98 Ca 0.36 1.46 -0.30 0.00 0.71 0.00 0.00 52.55 54.78 2q87 s ASP 98 Cb 0.20 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.92 2q87 s ASP 98 CO 0.32 -2.43 1.57 -2.84 0.21 0.00 0.00 175.17 171.99 2q87 s PRO 99 N -4.99 4.21 -0.03 8.23 0.02 -1.25 -4.95 135.00 136.24 2q87 s PRO 99 Ca 0.63 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.77 2q87 s PRO 99 Cb -0.17 -3.83 0.02 0.00 0.02 0.00 0.00 34.50 30.54 2q87 s PRO 99 CO 0.56 -0.76 -0.02 0.08 -0.33 0.00 0.00 177.00 176.52 2q87 s VAL 100 N 3.47 0.32 -0.22 3.83 1.01 -1.26 -1.82 120.40 125.73 2q87 s VAL 100 Ca 0.70 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 2q87 s VAL 100 Cb -0.33 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2q87 s VAL 100 CO 0.28 0.16 0.22 -0.69 0.00 0.00 0.00 175.10 175.06 2q87 s VAL 101 N 0.73 5.33 0.01 2.92 1.01 -0.28 -4.96 120.40 125.16 2q87 s VAL 101 Ca -0.08 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 2q87 s VAL 101 Cb -0.11 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2q87 s VAL 101 CO -0.01 0.34 0.80 -0.70 0.00 0.00 0.00 175.10 175.53 2q87 s GLU 102 N 0.99 4.50 -0.09 2.72 2.12 -1.26 -1.50 118.70 126.18 2q87 s GLU 102 Ca 0.11 1.10 0.02 0.00 0.36 0.00 0.00 54.97 56.56 2q87 s GLU 102 Cb -0.13 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.86 2q87 s GLU 102 CO 0.04 0.15 -0.16 0.08 -0.54 0.00 0.00 175.26 174.84 2q87 s VAL 103 N 0.39 1.49 -0.28 3.70 1.01 0.01 0.25 120.40 126.97 2q87 s VAL 103 Ca 0.41 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2q87 s VAL 103 Cb -0.20 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2q87 s VAL 103 CO 0.23 0.44 0.09 -0.70 0.00 0.00 0.00 175.10 175.16 2q87 s GLU 104 N 0.79 3.35 -0.21 2.72 2.56 0.29 -0.23 118.70 127.97 2q87 s GLU 104 Ca -0.11 -0.69 -0.11 0.00 0.00 0.00 0.00 54.97 54.06 2q87 s GLU 104 Cb -0.16 -3.39 -0.05 0.00 2.00 0.00 0.00 34.13 32.53 2q87 s GLU 104 CO 0.02 -0.34 0.19 0.08 -0.56 0.00 0.00 175.26 174.65 2q87 s VAL 105 N 1.57 5.36 -0.00 3.70 1.01 0.56 -1.01 120.40 131.58 2q87 s VAL 105 Ca 0.04 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2q87 s VAL 105 Cb -0.16 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2q87 s VAL 105 CO 0.04 0.38 -0.08 -0.44 0.00 0.00 0.00 175.10 175.00 2q87 s SER 106 N 0.67 4.53 -0.15 3.32 0.01 0.28 -0.33 113.70 122.02 2q87 s SER 106 Ca 0.10 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.20 2q87 s SER 106 Cb -0.12 -1.04 0.03 0.00 0.21 0.00 0.00 66.02 65.10 2q87 s SER 106 CO 0.02 0.29 -0.08 -0.69 0.41 0.00 0.00 173.24 173.19 2q87 s VAL 107 N -0.96 1.19 0.34 3.43 1.01 -1.26 -2.12 120.40 122.03 2q87 s VAL 107 Ca 0.16 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2q87 s VAL 107 Cb -0.11 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2q87 s VAL 107 CO 0.06 0.26 0.33 0.72 0.00 0.00 0.00 175.10 176.47 2q87 s PHE 108 N 1.62 2.94 0.38 5.22 -0.71 -0.63 -4.87 117.98 121.93 2q87 s PHE 108 Ca 0.03 -0.29 -0.27 0.00 -1.04 0.00 0.00 56.93 55.36 2q87 s PHE 108 Cb -0.14 -1.84 -0.11 0.00 -1.21 0.00 0.00 43.02 39.72 2q87 s PHE 108 CO -0.08 0.14 1.29 -2.30 -1.34 0.00 0.00 175.22 172.93 2q87 n PRO 109 N -1.43 2.06 0.00 1.99 -0.02 -1.26 -0.54 135.00 135.80 2q87 n PRO 109 Ca -0.01 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2q87 n PRO 109 Cb 0.59 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2q87 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48