#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ida s THR 2 N 0.00 0.00 -0.55 1.12 -1.32 -1.26 -5.02 115.64 108.60 2ida s THR 2 Ca 0.00 -0.60 0.26 0.00 -1.21 0.00 0.00 61.69 60.13 2ida s THR 2 Cb 0.00 -1.80 0.29 0.00 -1.51 0.00 0.00 72.50 69.48 2ida s THR 2 CO 0.00 0.00 1.75 0.24 -2.21 0.00 0.00 174.62 174.40 2ida h MET 3 N 2.00 0.00 0.00 7.08 0.00 -2.01 -3.42 114.93 118.59 2ida h MET 3 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.47 2ida h MET 3 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.84 2ida h MET 3 CO 0.26 0.00 0.00 0.41 0.00 0.00 0.00 176.91 177.58 2ida n GLY 4 N 0.80 1.75 3.66 8.32 0.00 -1.26 -4.88 105.19 113.59 2ida n GLY 4 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 2ida n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h ARG 6 N 2.00 0.00 0.00 0.00 0.11 -2.03 -1.20 114.38 113.27 2ida h ARG 6 Ca -0.24 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.83 2ida h ARG 6 Cb 1.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2ida h ARG 6 CO 0.28 0.00 -0.07 0.45 0.10 0.00 0.00 179.97 180.73 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -1.98 -1.90 115.15 119.21 2ida h HIS 7 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2ida h HIS 7 Cb 0.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2ida h HIS 7 CO 0.00 0.07 -0.33 0.28 0.86 0.00 0.00 177.93 178.82 2ida h VAL 8 N 0.00 1.18 0.00 2.45 2.07 -1.60 -2.62 116.25 117.73 2ida h VAL 8 Ca -0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2ida h VAL 8 Cb 0.16 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2ida h VAL 8 CO 0.01 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.92 2ida n ALA 9 N -2.45 1.71 0.06 1.67 0.00 -0.71 -2.26 120.51 118.53 2ida n ALA 9 Ca -0.02 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.46 2ida n ALA 9 Cb 0.38 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 2ida n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ida n GLY 10 N -0.01 -0.87 3.84 0.00 0.00 -0.99 -4.99 105.19 102.17 2ida n GLY 10 Ca 0.05 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2ida n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ida s ILE 11 N -3.29 4.54 0.37 -0.61 -4.36 -0.96 -5.03 121.20 111.86 2ida s ILE 11 Ca -0.06 1.18 0.04 0.00 -0.26 0.00 0.00 60.65 61.56 2ida s ILE 11 Cb 0.12 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.15 2ida s ILE 11 CO 0.80 -0.44 0.17 0.00 0.24 0.00 0.00 174.94 175.71 2ida s ARG 12 N -3.51 1.83 -0.50 0.37 3.03 -1.11 -5.04 118.95 114.02 2ida s ARG 12 Ca 0.58 -2.09 -0.27 0.00 2.03 0.00 0.00 55.73 55.98 2ida s ARG 12 Cb -0.10 -0.29 0.03 0.00 -1.03 0.00 0.00 34.95 33.56 2ida s ARG 12 CO 0.22 -0.52 1.06 0.99 -1.13 0.00 0.00 175.30 175.93 2ida s THR 13 N -3.34 4.27 0.53 4.99 2.01 -1.26 -4.73 115.64 118.10 2ida s THR 13 Ca 0.30 0.93 0.09 0.00 0.31 0.00 0.00 61.69 63.32 2ida s THR 13 Cb 0.03 -4.57 0.06 0.00 0.01 0.00 0.00 72.50 68.03 2ida s THR 13 CO 0.18 -1.03 0.72 0.68 -0.69 0.00 0.00 174.62 174.48 2ida s VAL 14 N 4.29 2.37 -0.23 3.82 -7.23 -1.26 -5.10 120.40 117.06 2ida s VAL 14 Ca 0.42 -1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 59.47 2ida s VAL 14 Cb -0.09 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2ida s VAL 14 CO 0.28 0.00 0.15 -0.89 -0.31 0.00 0.00 175.10 174.33 2ida s THR 15 N -2.58 5.37 -0.27 5.32 2.01 -1.26 -4.97 115.64 119.25 2ida s THR 15 Ca 0.59 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.49 2ida s THR 15 Cb -0.07 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2ida s THR 15 CO 0.37 0.37 1.90 -2.84 -0.69 0.00 0.00 174.62 173.72 2ida s PRO 16 N 0.90 3.36 0.33 4.92 0.02 -1.26 -4.50 135.00 138.78 2ida s PRO 16 Ca 0.08 1.67 0.26 0.00 0.02 0.00 0.00 61.00 63.02 2ida s PRO 16 Cb -0.13 -4.23 1.06 0.00 0.02 0.00 0.00 34.50 31.22 2ida s PRO 16 CO 0.03 -1.82 1.78 1.03 -0.33 0.00 0.00 177.00 177.69 2ida h SER 17 N 13.14 0.00 -5.29 2.53 0.87 -1.31 -3.45 113.55 120.04 2ida h SER 17 Ca -0.36 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.06 2ida h SER 17 Cb 1.19 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.00 2ida h SER 17 CO 1.00 0.00 -0.64 0.00 -0.53 0.00 0.00 176.83 176.66 2ida s ALA 18 N -3.39 0.55 -0.14 6.23 0.00 -1.26 -4.99 121.76 118.76 2ida s ALA 18 Ca 0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 2ida s ALA 18 Cb 0.09 0.47 -0.25 0.00 0.00 0.00 0.00 23.12 23.44 2ida s ALA 18 CO 0.44 -0.42 0.35 -0.07 0.00 0.00 0.00 175.76 176.06 2ida h LEU 19 N 3.03 0.32 0.00 0.00 -0.00 -1.98 -3.46 115.31 113.22 2ida h LEU 19 Ca -0.34 -0.83 0.00 0.00 -0.00 0.00 0.00 57.88 56.70 2ida h LEU 19 Cb 1.16 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2ida h LEU 19 CO 0.63 1.75 0.00 0.61 -0.00 0.00 0.00 178.44 181.43 2ida n GLY 20 N 1.83 5.37 3.55 0.83 0.00 -1.26 -4.85 105.19 110.66 2ida n GLY 20 Ca -0.31 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 2ida n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h GLU 22 N 11.26 0.77 -0.63 0.00 9.09 -1.97 -0.14 114.58 132.97 2ida h GLU 22 Ca -0.27 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.05 2ida h GLU 22 Cb 1.08 -0.17 -0.03 0.00 -1.65 0.00 0.00 28.75 27.98 2ida h GLU 22 CO 1.26 0.51 0.24 1.49 0.05 0.00 0.00 179.01 182.57 2ida h GLU 23 N 0.79 0.94 -0.26 1.06 4.81 -1.94 -2.28 114.58 117.70 2ida h GLU 23 Ca 0.29 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 2ida h GLU 23 Cb 0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2ida h GLU 23 CO -0.09 0.80 -0.29 0.00 -0.73 0.00 0.00 179.01 178.70 2ida h LEU 25 N 0.45 0.00 0.00 0.00 3.38 -0.54 0.29 115.31 118.89 2ida h LEU 25 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2ida h LEU 25 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2ida h LEU 25 CO 0.06 0.00 -0.41 0.07 0.09 0.00 0.00 178.44 178.25 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.14 -3.34 116.57 115.32 2ida h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ida h LYS 26 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2ida h LYS 26 CO 0.00 0.22 0.00 0.44 -2.00 0.00 0.00 179.45 178.11 2ida n ILE 27 N -3.09 0.43 -2.68 0.07 -5.35 -0.97 -5.02 119.36 102.76 2ida n ILE 27 Ca 0.02 -0.53 -0.07 0.00 -0.27 0.00 0.00 62.75 61.90 2ida n ILE 27 Cb 0.64 0.90 0.03 0.00 -1.74 0.00 0.00 39.64 39.47 2ida n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ida n GLY 28 N -0.22 0.26 3.77 3.28 0.00 -0.06 -5.05 105.19 107.18 2ida n GLY 28 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2ida n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ida s SER 29 N -3.34 5.43 0.75 1.61 0.01 0.83 -5.02 113.70 113.98 2ida s SER 29 Ca 0.09 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 2ida s SER 29 Cb -0.04 -1.41 0.09 0.00 0.21 0.00 0.00 66.02 64.88 2ida s SER 29 CO 0.27 0.11 1.06 -2.16 0.41 0.00 0.00 173.24 172.93 2ida s PRO 30 N -2.82 1.88 0.06 12.44 0.04 -1.26 -4.45 135.00 140.89 2ida s PRO 30 Ca 0.30 -0.38 -0.15 0.00 0.04 0.00 0.00 61.00 60.80 2ida s PRO 30 Cb -0.11 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.32 2ida s PRO 30 CO 0.22 -1.46 0.34 1.67 0.04 0.00 0.00 177.00 177.81 2ida s TRP 31 N -3.34 -0.15 -0.19 0.56 -2.14 -1.26 -4.78 118.94 107.64 2ida s TRP 31 Ca 0.63 -0.00 -0.16 0.00 2.66 0.00 0.00 56.10 59.23 2ida s TRP 31 Cb -0.09 0.14 -0.07 0.00 -3.10 0.00 0.00 33.47 30.35 2ida s TRP 31 CO 0.46 -0.55 -0.30 0.28 -2.66 0.00 0.00 176.95 174.18 2ida n VAL 32 N 0.41 1.49 -4.30 -0.66 0.31 -1.26 -4.53 118.33 109.80 2ida n VAL 32 Ca -0.18 0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 64.05 2ida n VAL 32 Cb 0.60 -2.27 -0.10 0.00 -0.91 0.00 0.00 33.84 31.16 2ida n VAL 32 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2ida s HIS 33 N -2.71 1.45 -0.05 3.52 3.76 -1.26 -4.86 115.29 115.14 2ida s HIS 33 Ca -0.28 -0.91 0.01 0.00 -0.15 0.00 0.00 55.06 53.73 2ida s HIS 33 Cb 0.06 -0.82 0.02 0.00 1.11 0.00 0.00 32.58 32.94 2ida s HIS 33 CO 0.41 -0.05 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.68 2ida s LEU 34 N -3.26 1.42 -0.10 0.89 1.43 -1.26 -1.11 118.68 116.69 2ida s LEU 34 Ca 0.26 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2ida s LEU 34 Cb 0.05 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.78 2ida s LEU 34 CO 0.06 -0.03 -0.14 -0.13 0.23 0.00 0.00 176.35 176.34 2ida s ARG 35 N 0.81 2.06 -0.07 1.70 0.52 0.11 -1.11 118.95 122.97 2ida s ARG 35 Ca -0.12 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2ida s ARG 35 Cb -0.14 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 2ida s ARG 35 CO 0.01 -0.07 0.03 -1.50 0.02 0.00 0.00 175.30 173.78 2ida s ILE 36 N 1.02 4.50 0.40 1.52 2.07 0.26 -0.55 121.20 130.43 2ida s ILE 36 Ca -0.06 -0.24 -0.26 0.00 -1.41 0.00 0.00 60.65 58.68 2ida s ILE 36 Cb -0.15 -2.93 -0.09 0.00 0.13 0.00 0.00 42.46 39.42 2ida s ILE 36 CO -0.02 0.56 1.31 0.00 -1.91 0.00 0.00 174.94 174.88 2ida n ARG 38 N 0.17 1.60 0.00 0.00 5.12 -1.08 -3.10 116.66 119.37 2ida n ARG 38 Ca 0.03 -0.92 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 2ida n ARG 38 Cb 0.43 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 2ida n ARG 38 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2ida n THR 39 N 0.18 0.00 1.21 0.55 -1.04 -1.26 -2.75 114.28 111.17 2ida n THR 39 Ca 0.13 0.31 0.13 0.00 -2.04 0.00 0.00 64.05 62.58 2ida n THR 39 Cb 0.26 -1.29 0.30 0.00 -1.82 0.00 0.00 70.33 67.77 2ida n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ida n GLY 41 N 1.34 0.79 3.80 0.00 0.00 -1.18 -4.86 105.19 105.08 2ida n GLY 41 Ca 0.12 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2ida n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ida s HIS 42 N -1.98 3.67 -0.02 1.61 5.65 -1.26 -0.81 115.29 122.14 2ida s HIS 42 Ca 0.00 0.98 -0.14 0.00 0.25 0.00 0.00 55.06 56.14 2ida s HIS 42 Cb 0.00 -2.38 -0.05 0.00 -1.18 0.00 0.00 32.58 28.96 2ida s HIS 42 CO 0.00 0.49 0.39 0.08 -0.65 0.00 0.00 174.74 175.05 2ida s VAL 43 N -0.55 5.08 0.01 0.89 1.01 -1.26 -1.55 120.40 124.04 2ida s VAL 43 Ca 0.24 0.79 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2ida s VAL 43 Cb -0.16 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2ida s VAL 43 CO 0.13 0.56 -0.09 -0.83 0.00 0.00 0.00 175.10 174.87 2ida s GLY 44 N -0.93 0.46 0.29 4.51 0.00 0.29 -4.71 107.32 107.24 2ida s GLY 44 Ca 0.23 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 44.17 2ida s GLY 44 CO 0.12 -0.46 1.15 0.00 0.00 0.00 0.00 173.10 173.91 2ida n ASP 47 N -5.02 0.00 -0.05 0.00 5.75 -1.26 -1.64 116.55 114.34 2ida n ASP 47 Ca 0.05 -0.19 0.13 0.00 -0.01 0.00 0.00 54.79 54.76 2ida n ASP 47 Cb 0.56 -0.23 0.34 0.00 -1.03 0.00 0.00 41.12 40.76 2ida n ASP 47 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2ida n ASP 48 N -1.23 0.52 -4.94 -1.12 5.75 -1.26 -4.78 116.55 109.49 2ida n ASP 48 Ca 0.13 -0.28 -0.26 0.00 -0.01 0.00 0.00 54.79 54.36 2ida n ASP 48 Cb 0.17 0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.35 2ida n ASP 48 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2ida s SER 49 N -2.88 6.36 0.52 -1.12 0.01 -0.65 -4.86 113.70 111.09 2ida s SER 49 Ca 0.15 0.34 0.24 0.00 1.31 0.00 0.00 55.95 57.99 2ida s SER 49 Cb 0.18 -1.98 1.37 0.00 0.21 0.00 0.00 66.02 65.80 2ida s SER 49 CO 0.64 -0.06 1.99 1.55 0.41 0.00 0.00 173.24 177.77 2ida h PRO 50 N 1.81 0.03 0.05 12.44 0.13 -1.86 -2.23 132.00 142.36 2ida h PRO 50 Ca -0.49 -0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 2ida h PRO 50 Cb 1.20 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2ida h PRO 50 CO 0.67 0.02 -1.68 0.45 -0.23 0.00 0.00 178.00 177.23 2ida h HIS 51 N 0.03 0.17 -5.29 1.56 3.86 -1.89 -3.48 115.15 110.11 2ida h HIS 51 Ca 0.26 -0.13 -0.40 0.00 -1.16 0.00 0.00 60.37 58.94 2ida h HIS 51 Cb 0.99 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 2ida h HIS 51 CO -0.00 1.22 -0.60 1.63 0.86 0.00 0.00 177.93 181.04 2ida n LYS 52 N -3.23 -4.16 0.22 2.45 5.02 -0.84 -4.85 118.16 112.77 2ida n LYS 52 Ca -0.18 0.62 0.07 0.00 -2.02 0.00 0.00 58.31 56.80 2ida n LYS 52 Cb 1.04 -5.40 0.53 0.00 -0.02 0.00 0.00 35.03 31.18 2ida n LYS 52 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ida h HIS 53 N -1.26 0.00 -0.66 2.13 2.76 -1.70 -2.68 115.15 113.74 2ida h HIS 53 Ca -0.48 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.60 2ida h HIS 53 Cb 1.32 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.26 2ida h HIS 53 CO 0.61 0.23 0.08 0.00 -1.30 0.00 0.00 177.93 177.55 2ida h ALA 54 N 1.77 0.89 -0.02 5.26 0.00 -1.19 0.85 119.26 126.82 2ida h ALA 54 Ca -0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2ida h ALA 54 Cb 0.48 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ida h ALA 54 CO 0.03 0.67 -0.54 1.79 0.00 0.00 0.00 179.25 181.20 2ida h THR 55 N 1.03 1.43 -0.73 0.00 1.35 -1.72 -2.58 112.91 111.69 2ida h THR 55 Ca 0.20 -2.02 0.04 0.00 -0.55 0.00 0.00 66.41 64.08 2ida h THR 55 Cb 0.48 2.55 -0.05 0.00 -1.73 0.00 0.00 68.15 69.40 2ida h THR 55 CO 0.02 0.59 0.45 0.03 -0.25 0.00 0.00 175.52 176.35 2ida h ARG 56 N -0.12 0.83 -0.65 4.72 3.08 -1.46 -1.88 114.38 118.89 2ida h ARG 56 Ca -0.06 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.98 2ida h ARG 56 Cb 1.24 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 2ida h ARG 56 CO 0.11 0.55 0.39 1.25 -1.07 0.00 0.00 179.97 181.19 2ida h HIS 57 N 0.86 0.72 -0.23 3.04 2.76 -0.84 -2.08 115.15 119.38 2ida h HIS 57 Ca 0.30 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.52 2ida h HIS 57 Cb 0.07 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 2ida h HIS 57 CO -0.05 0.38 0.06 0.35 -1.30 0.00 0.00 177.93 177.38 2ida h PHE 58 N 0.74 0.11 0.00 5.26 3.57 -0.94 0.91 116.94 126.60 2ida h PHE 58 Ca 0.28 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 2ida h PHE 58 Cb 0.09 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2ida h PHE 58 CO -0.06 0.05 -0.22 0.45 -2.23 0.00 0.00 178.31 176.29 2ida h HIS 59 N 0.16 0.00 0.00 0.41 3.86 -1.06 0.43 115.15 118.96 2ida h HIS 59 Ca 0.10 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2ida h HIS 59 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2ida h HIS 59 CO -0.13 0.22 -0.31 0.00 0.86 0.00 0.00 177.93 178.57 2ida h ALA 60 N 1.78 0.05 0.01 2.45 0.00 -0.92 -3.40 119.26 119.23 2ida h ALA 60 Ca -0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 2ida h ALA 60 Cb 0.52 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2ida h ALA 60 CO 0.03 0.19 -1.32 1.79 0.00 0.00 0.00 179.25 179.94 2ida h THR 61 N -1.00 1.33 -1.35 0.00 1.35 -0.81 -3.49 112.91 108.95 2ida h THR 61 Ca -0.07 -3.10 0.00 0.00 -0.55 0.00 0.00 66.41 62.69 2ida h THR 61 Cb 0.79 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 2ida h THR 61 CO -0.04 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 2ida n GLY 62 N 1.45 0.68 3.07 5.82 0.00 0.15 -5.05 105.19 111.32 2ida n GLY 62 Ca -0.08 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 2ida n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ida s HIS 63 N -2.80 3.45 -0.38 1.61 3.76 -1.21 -4.96 115.29 114.76 2ida s HIS 63 Ca 0.00 -2.74 0.26 0.00 -0.15 0.00 0.00 55.06 52.43 2ida s HIS 63 Cb 0.00 -3.12 0.65 0.00 1.11 0.00 0.00 32.58 31.22 2ida s HIS 63 CO 0.00 -0.87 1.72 -1.00 -0.85 0.00 0.00 174.74 173.73 2ida h PRO 64 N 7.28 0.00 -5.08 8.40 0.13 -1.93 -3.44 132.00 137.36 2ida h PRO 64 Ca -0.06 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.43 2ida h PRO 64 Cb 0.97 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.91 2ida h PRO 64 CO 0.69 0.00 -0.60 0.42 -0.23 0.00 0.00 178.00 178.28 2ida s ILE 65 N -3.29 4.51 0.17 -3.56 1.01 -1.26 0.34 121.20 119.12 2ida s ILE 65 Ca 0.06 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2ida s ILE 65 Cb 0.07 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 2ida s ILE 65 CO 0.62 0.38 -0.09 0.27 0.00 0.00 0.00 174.94 176.13 2ida s ILE 66 N 1.12 1.18 0.08 2.92 -4.36 0.27 -2.63 121.20 119.78 2ida s ILE 66 Ca 0.04 -2.07 0.06 0.00 -0.26 0.00 0.00 60.65 58.43 2ida s ILE 66 Cb -0.14 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 2ida s ILE 66 CO 0.03 -0.66 -0.17 -0.70 0.24 0.00 0.00 174.94 173.68 2ida s GLU 67 N -3.76 0.98 -0.41 0.37 2.12 0.25 0.29 118.70 118.53 2ida s GLU 67 Ca 0.19 -1.02 -0.28 0.00 0.36 0.00 0.00 54.97 54.22 2ida s GLU 67 Cb 0.03 -1.10 -0.03 0.00 0.26 0.00 0.00 34.13 33.29 2ida s GLU 67 CO 0.02 0.25 1.91 0.20 -0.54 0.00 0.00 175.26 177.11 2ida s GLY 68 N -1.73 0.49 -0.08 -1.50 0.00 -0.67 -0.58 107.32 103.25 2ida s GLY 68 Ca 0.02 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.65 2ida s GLY 68 CO 0.03 3.44 0.59 -1.82 0.00 0.00 0.00 173.10 175.34 2ida h TYR 69 N 14.29 0.57 0.19 1.90 3.20 -1.40 -3.38 116.97 132.34 2ida h TYR 69 Ca -0.31 -0.41 -0.31 0.00 3.14 0.00 0.00 58.73 60.84 2ida h TYR 69 Cb 1.18 -0.02 0.02 0.00 1.54 0.00 0.00 36.73 39.45 2ida h TYR 69 CO 0.98 1.63 -1.36 0.38 -1.64 0.00 0.00 178.16 178.15 2ida h ASP 70 N -0.10 0.64 -3.51 -2.11 2.03 -1.79 -3.32 116.42 108.26 2ida h ASP 70 Ca -0.33 -0.68 -0.62 0.00 -0.73 0.00 0.00 57.03 54.67 2ida h ASP 70 Cb 1.93 -0.21 -0.12 0.00 -0.83 0.00 0.00 39.33 40.10 2ida h ASP 70 CO 0.11 1.53 0.20 -2.16 -1.03 0.00 0.00 179.24 177.90 2ida s PRO 71 N -2.63 3.92 0.00 4.15 0.05 -1.26 -4.95 135.00 134.28 2ida s PRO 71 Ca -0.06 0.37 0.00 0.00 0.05 0.00 0.00 61.00 61.36 2ida s PRO 71 Cb 0.06 -3.72 0.00 0.00 0.05 0.00 0.00 34.50 30.88 2ida s PRO 71 CO 0.92 -0.59 0.60 -2.30 0.05 0.00 0.00 177.00 175.68 2ida n PRO 72 N 5.94 0.66 0.08 0.56 -0.02 -1.26 -3.67 135.00 137.29 2ida n PRO 72 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2ida n PRO 72 Cb 0.49 -1.20 -0.07 0.00 -0.02 0.00 0.00 33.50 32.69 2ida n PRO 72 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ida h GLU 73 N 0.61 0.00 -3.89 -0.52 4.39 -1.92 -3.49 114.58 109.76 2ida h GLU 73 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ida h GLU 73 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2ida h GLU 73 CO 0.00 0.86 -0.02 0.41 -1.16 0.00 0.00 179.01 179.10 2ida n GLY 74 N 1.29 -0.68 3.16 -3.84 0.00 -1.24 -4.57 105.19 99.31 2ida n GLY 74 Ca 0.01 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2ida n GLY 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ida s TRP 75 N -2.87 1.08 -0.05 1.61 1.48 -1.26 0.03 118.94 118.95 2ida s TRP 75 Ca 0.01 -0.54 0.05 0.00 -1.06 0.00 0.00 56.10 54.56 2ida s TRP 75 Cb -0.00 -0.60 -0.02 0.00 -1.16 0.00 0.00 33.47 31.69 2ida s TRP 75 CO 0.28 0.02 -0.22 0.20 -4.06 0.00 0.00 176.95 173.17 2ida s GLY 76 N -2.02 1.36 -0.08 3.67 0.00 0.20 -1.67 107.32 108.78 2ida s GLY 76 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2ida s GLY 76 CO 0.01 -0.69 -0.18 0.86 0.00 0.00 0.00 173.10 173.10 2ida s TRP 77 N -0.33 2.64 -0.34 1.90 -0.11 0.15 -1.22 118.94 121.62 2ida s TRP 77 Ca 0.02 -0.51 -0.00 0.00 1.22 0.00 0.00 56.10 56.82 2ida s TRP 77 Cb -0.12 -1.68 0.08 0.00 -1.50 0.00 0.00 33.47 30.25 2ida s TRP 77 CO 0.02 -0.08 0.07 0.00 -4.62 0.00 0.00 176.95 172.34 2ida h TYR 79 N 7.90 -0.72 0.00 0.00 0.05 -0.47 0.63 116.97 124.37 2ida h TYR 79 Ca -0.14 0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 2ida h TYR 79 Cb 1.05 0.41 -0.00 0.00 1.01 0.00 0.00 36.73 39.19 2ida h TYR 79 CO 0.56 -0.35 -0.01 -0.39 -1.05 0.00 0.00 178.16 176.92 2ida h VAL 80 N -0.11 0.04 0.01 -2.88 -1.51 -1.95 -3.07 116.25 106.78 2ida h VAL 80 Ca 0.27 -0.56 -0.37 0.00 -1.23 0.00 0.00 66.70 64.81 2ida h VAL 80 Cb 0.54 1.54 -0.06 0.00 -2.13 0.00 0.00 31.29 31.17 2ida h VAL 80 CO -0.69 0.01 -2.31 0.47 -1.23 0.00 0.00 177.57 173.83 2ida n ASP 81 N -3.11 1.00 -1.63 4.19 9.92 -0.24 -4.98 116.55 121.69 2ida n ASP 81 Ca 0.01 0.02 -0.16 0.00 -0.53 0.00 0.00 54.79 54.12 2ida n ASP 81 Cb 0.32 0.20 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 2ida n ASP 81 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2ida n GLU 82 N -3.03 -1.23 -4.51 -1.24 1.02 0.21 -5.01 120.64 106.85 2ida n GLU 82 Ca -0.36 0.87 -0.34 0.00 -0.02 0.00 0.00 57.16 57.31 2ida n GLU 82 Cb 1.08 -5.19 -0.11 0.00 -0.02 0.00 0.00 31.44 27.19 2ida n GLU 82 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ida s VAL 83 N -2.73 3.90 -0.18 2.62 -7.23 -1.25 -4.98 120.40 110.55 2ida s VAL 83 Ca 0.00 -0.39 -0.06 0.00 -1.81 0.00 0.00 61.98 59.72 2ida s VAL 83 Cb 0.00 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2ida s VAL 83 CO 0.00 0.58 0.01 -0.32 -0.31 0.00 0.00 175.10 175.06 2ida s MET 84 N -0.55 3.75 0.26 4.82 1.75 -1.26 -2.91 119.30 125.16 2ida s MET 84 Ca 0.09 -0.46 0.07 0.00 -1.25 0.00 0.00 55.69 54.14 2ida s MET 84 Cb -0.12 -3.09 -0.05 0.00 2.84 0.00 0.00 34.83 34.41 2ida s MET 84 CO 0.02 0.15 -0.10 -0.59 -0.65 0.00 0.00 175.02 173.86 2ida s PHE 85 N 0.64 1.91 0.20 4.11 -0.71 -0.36 -4.27 117.98 119.50 2ida s PHE 85 Ca 0.00 -0.62 -0.24 0.00 -1.04 0.00 0.00 56.93 55.03 2ida s PHE 85 Cb -0.14 -1.01 -0.08 0.00 -1.21 0.00 0.00 43.02 40.58 2ida s PHE 85 CO 0.02 0.35 0.80 0.16 -1.34 0.00 0.00 175.22 175.20 2ida s ASP 86 N -3.41 7.33 -0.00 1.98 -4.77 -1.26 0.58 116.67 117.11 2ida s ASP 86 Ca 0.27 1.64 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 2ida s ASP 86 Cb 0.02 -2.50 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 2ida s ASP 86 CO 0.11 0.13 0.75 0.18 0.70 0.00 0.00 175.17 177.04 2ida n LEU 87 N 1.26 0.98 0.26 2.11 4.77 0.10 -4.71 117.00 121.78 2ida n LEU 87 Ca -0.04 -1.00 0.18 0.00 -0.03 0.00 0.00 56.01 55.12 2ida n LEU 87 Cb 0.49 -0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.49 2ida n LEU 87 CO 0.45 0.25 1.15 -1.28 -1.33 0.00 0.00 177.39 176.64 2ida h SER 88 N 0.00 0.00 0.68 -1.43 0.87 -1.48 0.43 113.55 112.62 2ida h SER 88 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2ida h SER 88 Cb 0.76 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2ida h SER 88 CO 0.00 0.00 -0.09 -0.78 -0.53 0.00 0.00 176.83 175.43 2ida h ASP 89 N 0.00 0.00 0.00 6.23 3.58 -1.88 -3.22 116.42 121.13 2ida h ASP 89 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2ida h ASP 89 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2ida h ASP 89 CO -0.00 0.09 -0.44 0.54 -2.88 0.00 0.00 179.24 176.55 2ida n ARG 90 N -3.31 0.04 -1.98 0.28 1.74 0.95 -5.12 116.66 109.25 2ida n ARG 90 Ca -0.01 -0.99 -0.37 0.00 -0.77 0.00 0.00 57.85 55.72 2ida n ARG 90 Cb 0.28 -0.52 0.03 0.00 -1.02 0.00 0.00 32.46 31.23 2ida n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ida s MET 91 N -0.07 3.22 -0.52 5.56 0.23 0.11 -4.74 119.30 123.10 2ida s MET 91 Ca 0.01 1.98 -0.16 0.00 -1.03 0.00 0.00 55.69 56.49 2ida s MET 91 Cb 0.01 -2.17 0.11 0.00 -1.53 0.00 0.00 34.83 31.25 2ida s MET 91 CO 0.00 -1.05 0.46 0.99 -2.03 0.00 0.00 175.02 173.40 2ida s THR 92 N -1.46 5.18 0.62 3.16 2.01 -1.26 -5.03 115.64 118.86 2ida s THR 92 Ca 0.72 -1.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 2ida s THR 92 Cb -0.34 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2ida s THR 92 CO 0.39 -0.78 1.03 -2.16 -0.69 0.00 0.00 174.62 172.41 2ida s PRO 93 N 1.60 3.49 -0.39 4.92 0.04 -1.26 -4.72 135.00 138.67 2ida s PRO 93 Ca 0.03 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 2ida s PRO 93 Cb -0.28 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.20 2ida s PRO 93 CO 0.04 -0.66 1.43 -3.38 0.04 0.00 0.00 177.00 174.47 2ida s HIS 94 N -3.00 2.39 -0.30 0.56 -3.43 -1.25 -4.86 115.29 105.39 2ida s HIS 94 Ca 0.57 0.68 0.19 0.00 -0.80 0.00 0.00 55.06 55.71 2ida s HIS 94 Cb -0.12 -4.26 0.19 0.00 -1.43 0.00 0.00 32.58 26.97 2ida s HIS 94 CO 0.49 -2.03 1.49 -2.95 -2.00 0.00 0.00 174.74 169.74 2ida h ASN 95 N 10.68 0.00 -2.13 7.38 7.08 -1.93 -3.46 115.58 133.19 2ida h ASN 95 Ca -0.28 0.00 -0.52 0.00 -3.08 0.00 0.00 56.30 52.42 2ida h ASN 95 Cb 1.11 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.29 2ida h ASN 95 CO 1.08 0.22 -0.54 -0.83 -2.08 0.00 0.00 177.43 175.28 2ida s GLY 96 N -4.34 1.54 -0.71 9.14 0.00 -1.26 -5.05 107.32 106.64 2ida s GLY 96 Ca 0.05 -1.53 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 2ida s GLY 96 CO 0.71 -1.55 1.64 -4.14 0.00 0.00 0.00 173.10 169.77 2ida s PRO 97 N -3.83 2.88 -0.15 2.90 0.02 -1.26 -4.97 135.00 130.59 2ida s PRO 97 Ca 0.34 0.11 -0.28 0.00 0.02 0.00 0.00 61.00 61.19 2ida s PRO 97 Cb -0.07 -4.45 -0.01 0.00 0.02 0.00 0.00 34.50 29.99 2ida s PRO 97 CO 0.24 -2.56 0.97 0.42 -0.33 0.00 0.00 177.00 175.73 2ida s ILE 98 N 7.76 4.79 -0.06 2.83 1.01 -1.26 -4.99 121.20 131.28 2ida s ILE 98 Ca 0.55 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.83 2ida s ILE 98 Cb -0.10 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 2ida s ILE 98 CO 0.14 -0.03 2.04 -2.65 0.00 0.00 0.00 174.94 174.45 2ida n PRO 99 N 5.33 2.48 -2.62 2.79 -0.02 -1.26 -4.92 135.00 136.79 2ida n PRO 99 Ca 0.08 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 2ida n PRO 99 Cb 0.48 -3.01 -0.03 0.00 -0.02 0.00 0.00 33.50 30.92 2ida n PRO 99 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ida s ARG 100 N 5.00 3.49 0.24 -0.52 6.06 -1.26 -4.84 118.95 127.12 2ida s ARG 100 Ca 0.93 0.18 0.21 0.00 -2.50 0.00 0.00 55.73 54.55 2ida s ARG 100 Cb -0.45 -4.02 0.06 0.00 0.06 0.00 0.00 34.95 30.60 2ida s ARG 100 CO 0.42 -1.65 1.19 1.88 -2.50 0.00 0.00 175.30 174.64 2ida h TYR 101 N 9.50 0.00 -0.01 5.12 0.05 -1.92 -3.53 116.97 126.19 2ida h TYR 101 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.53 2ida h TYR 101 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2ida h TYR 101 CO 1.02 0.17 0.00 1.33 -1.05 0.00 0.00 178.16 179.63