#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ens s SER 2 N 0.00 -0.21 0.21 1.61 0.15 -1.26 -5.04 113.70 109.16 2ens s SER 2 Ca 0.00 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.64 2ens s SER 2 Cb 0.00 0.20 0.28 0.00 -1.71 0.00 0.00 66.02 64.79 2ens s SER 2 CO 0.00 -0.29 1.64 0.77 1.20 0.00 0.00 173.24 176.56 2ens h SER 3 N 2.15 -0.44 0.00 5.45 4.64 -2.13 -3.43 113.55 119.79 2ens h SER 3 Ca -0.13 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2ens h SER 3 Cb 1.18 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2ens h SER 3 CO 0.26 -0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2ens n GLY 4 N -1.40 -1.47 3.88 -0.77 0.00 -1.26 -5.17 105.19 99.00 2ens n GLY 4 Ca 0.09 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 2ens n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ens s SER 5 N 0.00 6.57 -0.13 1.61 0.15 -1.26 -5.09 113.70 115.54 2ens s SER 5 Ca 0.00 0.75 0.03 0.00 0.70 0.00 0.00 55.95 57.43 2ens s SER 5 Cb 0.00 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.16 2ens s SER 5 CO 0.00 0.02 -0.22 -0.55 1.20 0.00 0.00 173.24 173.69 2ens s SER 6 N -2.31 3.09 0.28 5.45 0.15 -1.26 -5.10 113.70 114.00 2ens s SER 6 Ca 0.42 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.51 2ens s SER 6 Cb -0.12 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.73 2ens s SER 6 CO 0.22 0.09 0.25 -0.83 1.20 0.00 0.00 173.24 174.17 2ens s GLY 7 N 0.74 1.89 0.41 9.45 0.00 -1.26 -5.18 107.32 113.37 2ens s GLY 7 Ca -0.09 -1.86 0.04 0.00 0.00 0.00 0.00 44.72 42.81 2ens s GLY 7 CO -0.00 -1.39 0.04 1.08 0.00 0.00 0.00 173.10 172.83 2ens s LEU 8 N -3.27 2.44 -0.19 0.66 1.02 -1.26 -5.16 118.68 112.91 2ens s LEU 8 Ca 0.39 -1.48 -0.12 0.00 0.02 0.00 0.00 54.13 52.93 2ens s LEU 8 Cb 0.04 -0.62 0.06 0.00 0.02 0.00 0.00 46.19 45.69 2ens s LEU 8 CO 0.21 -0.65 0.48 -1.83 0.02 0.00 0.00 176.35 174.57 2ens s GLU 9 N -3.80 0.49 0.02 1.70 -1.05 -1.26 -5.06 118.70 109.75 2ens s GLU 9 Ca 0.27 0.83 -0.23 0.00 -0.15 0.00 0.00 54.97 55.69 2ens s GLU 9 Cb 0.07 0.09 -0.16 0.00 -0.44 0.00 0.00 34.13 33.68 2ens s GLU 9 CO 0.13 -0.13 1.35 0.93 0.95 0.00 0.00 175.26 178.49 2ens h GLU 10 N 6.61 0.20 -6.76 -4.83 3.07 -1.99 -3.44 114.58 107.43 2ens h GLU 10 Ca -0.33 -0.09 -0.53 0.00 -0.50 0.00 0.00 59.36 57.91 2ens h GLU 10 Cb 1.19 -0.00 0.06 0.00 -0.84 0.00 0.00 28.75 29.15 2ens h GLU 10 CO 0.25 0.58 0.73 0.14 -1.40 0.00 0.00 179.01 179.31 2ens s VAL 11 N -4.45 2.72 -0.68 3.13 -7.23 -1.26 -4.95 120.40 107.68 2ens s VAL 11 Ca -0.15 0.62 0.05 0.00 -1.81 0.00 0.00 61.98 60.70 2ens s VAL 11 Cb 0.04 -3.40 0.17 0.00 0.56 0.00 0.00 36.38 33.75 2ens s VAL 11 CO 0.71 0.11 0.48 -1.58 -0.31 0.00 0.00 175.10 174.51 2ens s GLN 12 N -0.61 2.31 0.18 4.82 0.74 -1.26 -4.80 119.66 121.04 2ens s GLN 12 Ca 0.57 -3.23 -0.33 0.00 0.05 0.00 0.00 55.36 52.43 2ens s GLN 12 Cb -0.41 -3.22 -0.13 0.00 1.10 0.00 0.00 33.01 30.35 2ens s GLN 12 CO 0.45 -1.30 1.69 -0.11 -0.55 0.00 0.00 175.29 175.47 2ens n LEU 13 N 2.06 3.69 -4.11 3.68 7.94 -1.26 -4.83 117.00 124.16 2ens n LEU 13 Ca 0.21 1.06 -0.33 0.00 -1.11 0.00 0.00 56.01 55.84 2ens n LEU 13 Cb 0.36 -1.52 -0.15 0.00 0.53 0.00 0.00 43.42 42.64 2ens n LEU 13 CO 0.25 0.02 -0.47 -0.69 -1.11 0.00 0.00 177.39 175.39 2ens s VAL 14 N 1.27 2.27 0.23 1.96 1.01 0.10 -5.01 120.40 122.22 2ens s VAL 14 Ca 0.77 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2ens s VAL 14 Cb -0.56 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2ens s VAL 14 CO 0.35 0.22 0.14 0.68 0.00 0.00 0.00 175.10 176.49 2ens s VAL 15 N 1.21 4.26 -0.07 2.92 -7.23 -1.26 -0.39 120.40 119.84 2ens s VAL 15 Ca -0.02 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2ens s VAL 15 Cb -0.17 -3.26 0.03 0.00 0.56 0.00 0.00 36.38 33.54 2ens s VAL 15 CO -0.08 -0.27 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.82 2ens s GLU 16 N -3.56 0.71 0.89 4.82 0.41 -0.95 -2.48 118.70 118.53 2ens s GLU 16 Ca 0.32 0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.83 2ens s GLU 16 Cb -0.08 -1.03 0.12 0.00 -1.78 0.00 0.00 34.13 31.36 2ens s GLU 16 CO 0.23 -0.29 1.09 -1.25 -0.49 0.00 0.00 175.26 174.55 2ens s PRO 17 N 1.91 1.33 0.15 0.39 0.04 -1.26 -3.17 135.00 134.40 2ens s PRO 17 Ca 0.05 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 2ens s PRO 17 Cb -0.12 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2ens s PRO 17 CO -0.05 -2.20 1.70 1.05 0.04 0.00 0.00 177.00 177.54 2ens h GLU 18 N -1.52 0.06 -1.18 4.56 4.11 -1.87 -1.53 114.58 117.22 2ens h GLU 18 Ca -0.49 -0.00 0.39 0.00 0.07 0.00 0.00 59.36 59.32 2ens h GLU 18 Cb 1.28 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.38 2ens h GLU 18 CO 0.54 0.04 0.73 0.78 0.07 0.00 0.00 179.01 181.18 2ens h GLY 19 N 0.07 1.55 -0.20 1.06 0.00 -1.98 -3.45 103.07 100.12 2ens h GLY 19 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ens h GLY 19 CO -0.29 -0.43 0.00 0.61 0.00 0.00 0.00 176.54 176.44 2ens n GLY 20 N -1.44 1.17 3.20 4.60 0.00 -0.58 -4.96 105.19 107.19 2ens n GLY 20 Ca 0.34 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2ens n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ens s ALA 21 N -2.20 -0.51 0.13 4.61 0.00 -1.26 -3.16 121.76 119.37 2ens s ALA 21 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2ens s ALA 21 Cb 0.00 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.42 2ens s ALA 21 CO 0.00 -0.34 0.51 0.14 0.00 0.00 0.00 175.76 176.07 2ens s VAL 22 N -2.25 0.03 0.92 0.00 -7.23 -0.90 -4.42 120.40 106.54 2ens s VAL 22 Ca -0.07 -0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 2ens s VAL 22 Cb -0.02 -1.06 0.14 0.00 0.56 0.00 0.00 36.38 36.00 2ens s VAL 22 CO -0.02 -0.14 1.11 0.00 -0.31 0.00 0.00 175.10 175.74 2ens s ALA 23 N -3.60 1.38 -1.10 1.32 0.00 -1.26 -2.37 121.76 116.13 2ens s ALA 23 Ca 0.01 0.36 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 2ens s ALA 23 Cb 0.00 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 2ens s ALA 23 CO -0.11 -2.66 1.94 -1.25 0.00 0.00 0.00 175.76 173.68 2ens s PRO 24 N -4.71 2.51 0.00 0.00 0.04 -1.26 -2.53 135.00 129.06 2ens s PRO 24 Ca 0.65 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.80 2ens s PRO 24 Cb -0.21 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2ens s PRO 24 CO 0.58 -3.79 0.00 0.41 0.04 0.00 0.00 177.00 174.24 2ens n GLY 25 N 6.14 0.84 0.00 0.56 0.00 0.48 -4.90 105.19 108.31 2ens n GLY 25 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2ens n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ens n GLY 26 N 0.00 2.42 2.89 -0.02 0.00 -1.05 -4.51 105.19 104.92 2ens n GLY 26 Ca 0.00 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 2ens n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ens s THR 27 N 2.26 -0.10 0.15 2.61 2.01 -1.26 0.64 115.64 121.94 2ens s THR 27 Ca 0.00 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.31 2ens s THR 27 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 2ens s THR 27 CO 0.00 0.09 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.27 2ens s VAL 28 N 1.44 3.44 -0.15 3.82 1.01 -1.18 -4.84 120.40 123.95 2ens s VAL 28 Ca -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2ens s VAL 28 Cb -0.12 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2ens s VAL 28 CO -0.06 -0.03 -0.11 -0.89 0.00 0.00 0.00 175.10 174.02 2ens s THR 29 N -1.53 1.39 -0.57 3.92 2.01 -1.19 -0.09 115.64 119.59 2ens s THR 29 Ca 0.24 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 2ens s THR 29 Cb -0.10 -1.38 0.14 0.00 0.01 0.00 0.00 72.50 71.18 2ens s THR 29 CO 0.16 0.37 0.53 -0.76 -0.69 0.00 0.00 174.62 174.22 2ens s LEU 30 N 1.55 6.24 -0.27 4.42 1.02 0.24 -2.24 118.68 129.64 2ens s LEU 30 Ca 0.04 -1.88 -0.11 0.00 0.02 0.00 0.00 54.13 52.20 2ens s LEU 30 Cb -0.13 -2.21 -0.05 0.00 0.02 0.00 0.00 46.19 43.82 2ens s LEU 30 CO -0.09 -0.83 0.18 0.42 0.02 0.00 0.00 176.35 176.04 2ens s THR 31 N 1.47 5.29 -0.22 5.49 -4.23 0.48 -2.01 115.64 121.90 2ens s THR 31 Ca 0.04 0.16 0.14 0.00 -1.18 0.00 0.00 61.69 60.85 2ens s THR 31 Cb -0.28 -3.51 0.45 0.00 1.34 0.00 0.00 72.50 70.50 2ens s THR 31 CO 0.02 0.26 1.18 0.00 -0.54 0.00 0.00 174.62 175.54 2ens s GLU 33 N -3.03 2.90 0.31 0.00 -1.05 -1.26 -4.94 118.70 111.63 2ens s GLU 33 Ca 0.40 0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 54.99 2ens s GLU 33 Cb 0.38 -4.47 -0.12 0.00 -0.44 0.00 0.00 34.13 29.47 2ens s GLU 33 CO -0.04 -2.55 1.36 0.28 0.95 0.00 0.00 175.26 175.27 2ens n VAL 34 N 6.96 1.63 -0.07 1.83 0.31 -1.26 -4.92 118.33 122.80 2ens n VAL 34 Ca 0.17 -0.41 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 2ens n VAL 34 Cb 0.50 -1.61 -0.06 0.00 -0.91 0.00 0.00 33.84 31.76 2ens n VAL 34 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2ens h PRO 35 N 3.23 0.52 -0.32 5.55 0.13 -1.93 -3.24 132.00 135.95 2ens h PRO 35 Ca -0.46 -0.28 -0.15 0.00 -0.87 0.00 0.00 66.00 64.24 2ens h PRO 35 Cb 1.27 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2ens h PRO 35 CO 0.68 0.86 -0.39 0.00 -0.23 0.00 0.00 178.00 178.91 2ens h ALA 36 N 0.66 0.70 -3.13 -0.56 0.00 -1.96 -3.42 119.26 111.54 2ens h ALA 36 Ca 0.03 -0.45 -0.62 0.00 0.00 0.00 0.00 54.91 53.87 2ens h ALA 36 Cb 0.76 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.28 2ens h ALA 36 CO 0.05 0.67 -0.54 -0.65 0.00 0.00 0.00 179.25 178.78 2ens s GLN 37 N -4.33 4.00 -0.02 0.00 1.11 -1.22 -5.01 119.66 114.19 2ens s GLN 37 Ca -0.09 -0.31 -0.25 0.00 0.01 0.00 0.00 55.36 54.71 2ens s GLN 37 Cb 0.12 -3.41 -0.19 0.00 -1.01 0.00 0.00 33.01 28.51 2ens s GLN 37 CO 0.86 0.10 1.20 -1.00 0.01 0.00 0.00 175.29 176.46 2ens h PRO 38 N 7.33 -0.09 -2.06 2.91 0.13 -1.82 -3.36 132.00 135.03 2ens h PRO 38 Ca -0.38 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.23 2ens h PRO 38 Cb 1.17 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2ens h PRO 38 CO 0.66 0.36 -1.04 -1.13 -0.23 0.00 0.00 178.00 176.63 2ens n SER 39 N -4.91 1.53 -3.21 1.44 3.41 -1.26 -4.88 113.62 105.74 2ens n SER 39 Ca -0.08 -3.09 -0.20 0.00 -0.26 0.00 0.00 58.87 55.24 2ens n SER 39 Cb 0.25 -0.62 0.17 0.00 -0.26 0.00 0.00 64.21 63.75 2ens n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ens n PRO 40 N 0.50 -2.46 -2.86 4.33 -0.04 -1.26 -4.94 135.00 128.27 2ens n PRO 40 Ca 0.25 -1.17 -0.43 0.00 -0.04 0.00 0.00 63.50 62.11 2ens n PRO 40 Cb 0.56 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.89 2ens n PRO 40 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2ens s GLN 41 N -4.66 3.28 0.09 0.54 2.00 -1.26 -4.99 119.66 114.66 2ens s GLN 41 Ca 0.48 -1.12 -0.22 0.00 -2.00 0.00 0.00 55.36 52.50 2ens s GLN 41 Cb -0.05 -4.50 -0.07 0.00 0.80 0.00 0.00 33.01 29.20 2ens s GLN 41 CO 0.37 -1.83 0.66 0.42 -0.50 0.00 0.00 175.29 174.40 2ens s ILE 42 N 3.74 4.64 0.22 -2.34 -1.09 -1.26 -3.06 121.20 122.05 2ens s ILE 42 Ca 0.27 1.43 0.02 0.00 -2.23 0.00 0.00 60.65 60.13 2ens s ILE 42 Cb -0.12 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 2ens s ILE 42 CO 0.03 0.51 0.05 -1.00 -1.23 0.00 0.00 174.94 173.30 2ens s HIS 43 N -0.88 1.42 -0.06 3.97 3.76 -1.10 -4.31 115.29 118.09 2ens s HIS 43 Ca 0.32 -1.10 -0.02 0.00 -0.15 0.00 0.00 55.06 54.12 2ens s HIS 43 Cb -0.21 -0.82 0.04 0.00 1.11 0.00 0.00 32.58 32.70 2ens s HIS 43 CO 0.22 -0.26 0.11 -1.58 -0.85 0.00 0.00 174.74 172.37 2ens s TRP 44 N -3.69 -0.07 0.00 1.40 0.52 -1.26 -3.59 118.94 112.26 2ens s TRP 44 Ca 0.32 0.40 0.06 0.00 0.02 0.00 0.00 56.10 56.90 2ens s TRP 44 Cb 0.07 -0.30 -0.02 0.00 -1.15 0.00 0.00 33.47 32.07 2ens s TRP 44 CO 0.10 -0.20 -0.18 -1.64 0.02 0.00 0.00 176.95 175.05 2ens s MET 45 N 1.88 1.37 -0.32 4.98 -1.94 -1.03 -3.32 119.30 120.92 2ens s MET 45 Ca -0.00 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2ens s MET 45 Cb -0.12 -1.37 0.10 0.00 2.01 0.00 0.00 34.83 35.45 2ens s MET 45 CO -0.04 0.37 0.07 0.21 -0.01 0.00 0.00 175.02 175.61 2ens s LYS 46 N -0.66 1.07 -0.45 2.03 2.20 0.19 -2.88 119.74 121.24 2ens s LYS 46 Ca 0.06 -1.41 -0.01 0.00 -0.36 0.00 0.00 55.97 54.26 2ens s LYS 46 Cb -0.07 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 2ens s LYS 46 CO 0.00 -0.95 0.11 -3.47 -0.36 0.00 0.00 175.35 170.68 2ens n ASP 47 N 4.59 -2.64 -0.42 1.43 2.03 -1.14 -3.26 116.55 117.13 2ens n ASP 47 Ca 0.00 -0.05 -0.04 0.00 0.52 0.00 0.00 54.79 55.22 2ens n ASP 47 Cb 0.42 -1.73 -0.01 0.00 -0.72 0.00 0.00 41.12 39.08 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ens n GLY 48 N -0.98 0.32 2.85 0.27 0.00 -1.26 -5.04 105.19 101.35 2ens n GLY 48 Ca -0.05 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 2ens n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ens s VAL 49 N -2.19 -0.03 -0.14 1.61 1.01 -1.20 -5.12 120.40 114.33 2ens s VAL 49 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 2ens s VAL 49 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 2ens s VAL 49 CO 0.00 0.05 1.56 -2.16 0.00 0.00 0.00 175.10 174.55 2ens s PRO 50 N 0.65 4.04 0.33 2.72 0.04 -1.26 -0.64 135.00 140.87 2ens s PRO 50 Ca -0.05 1.87 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 2ens s PRO 50 Cb -0.07 -3.96 -0.10 0.00 0.04 0.00 0.00 34.50 30.41 2ens s PRO 50 CO -0.02 -1.00 0.98 -0.51 0.04 0.00 0.00 177.00 176.49 2ens s LEU 51 N 4.38 4.35 -1.19 -3.56 1.43 -1.21 -4.94 118.68 117.95 2ens s LEU 51 Ca 0.69 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 55.49 2ens s LEU 51 Cb -0.27 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 41.88 2ens s LEU 51 CO 0.26 -0.14 1.93 -0.81 0.23 0.00 0.00 176.35 177.83 2ens n PRO 52 N 0.58 1.61 -3.57 1.29 -0.04 -1.26 -4.84 135.00 128.76 2ens n PRO 52 Ca 0.02 -2.47 -0.16 0.00 -0.04 0.00 0.00 63.50 60.85 2ens n PRO 52 Cb 0.49 -3.73 -0.06 0.00 -0.04 0.00 0.00 33.50 30.17 2ens n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ens s LEU 53 N 10.95 -0.21 0.26 1.53 1.43 -1.26 -5.15 118.68 126.23 2ens s LEU 53 Ca 0.68 0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 2ens s LEU 53 Cb -0.00 2.20 -0.09 0.00 0.03 0.00 0.00 46.19 48.32 2ens s LEU 53 CO 0.14 -0.64 1.26 -2.16 0.23 0.00 0.00 176.35 175.17 2ens s PRO 54 N -1.79 4.43 -0.10 1.29 0.04 -1.26 -4.97 135.00 132.65 2ens s PRO 54 Ca -0.09 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2ens s PRO 54 Cb -0.01 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2ens s PRO 54 CO 0.04 -0.12 1.53 -1.25 0.04 0.00 0.00 177.00 177.23 2ens s PRO 55 N -1.01 4.17 0.02 0.56 0.04 -1.26 -5.00 135.00 132.52 2ens s PRO 55 Ca 0.51 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 63.39 2ens s PRO 55 Cb -0.37 -3.92 0.02 0.00 0.04 0.00 0.00 34.50 30.28 2ens s PRO 55 CO 0.44 -0.84 0.32 -1.12 0.04 0.00 0.00 177.00 175.84 2ens s SER 56 N 2.98 -0.16 0.00 6.66 0.01 -1.26 -4.90 113.70 117.03 2ens s SER 56 Ca 0.67 -0.08 0.13 0.00 1.31 0.00 0.00 55.95 57.98 2ens s SER 56 Cb -0.29 0.35 0.78 0.00 0.21 0.00 0.00 66.02 67.07 2ens s SER 56 CO 0.25 -0.57 1.20 -0.81 0.41 0.00 0.00 173.24 173.72 2ens n PRO 57 N 0.80 0.49 -3.61 12.44 -0.04 -1.26 -4.48 135.00 139.33 2ens n PRO 57 Ca -0.20 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 2ens n PRO 57 Cb 0.58 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 2ens n PRO 57 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ens s VAL 58 N -2.00 -0.33 -0.26 0.52 1.01 -1.26 -2.70 120.40 115.38 2ens s VAL 58 Ca 0.19 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2ens s VAL 58 Cb 0.09 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 36.08 2ens s VAL 58 CO 0.15 0.03 0.00 -0.22 0.00 0.00 0.00 175.10 175.06 2ens s LEU 59 N 2.35 2.64 -0.03 3.92 2.96 -0.85 -4.97 118.68 124.69 2ens s LEU 59 Ca 0.04 -1.36 -0.13 0.00 -0.22 0.00 0.00 54.13 52.45 2ens s LEU 59 Cb -0.13 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2ens s LEU 59 CO -0.09 -0.30 0.34 -0.63 -1.32 0.00 0.00 176.35 174.35 2ens s ILE 60 N 1.43 5.16 -0.64 6.68 1.09 -1.26 -0.59 121.20 133.07 2ens s ILE 60 Ca 0.00 0.67 0.06 0.00 -1.10 0.00 0.00 60.65 60.28 2ens s ILE 60 Cb -0.18 -3.63 0.21 0.00 -1.06 0.00 0.00 42.46 37.80 2ens s ILE 60 CO -0.11 0.59 0.59 -0.11 -0.10 0.00 0.00 174.94 175.80 2ens n LEU 61 N 1.90 2.90 -4.77 2.97 7.94 0.88 -4.96 117.00 123.86 2ens n LEU 61 Ca -0.15 -5.22 -0.34 0.00 -1.11 0.00 0.00 56.01 49.19 2ens n LEU 61 Cb 0.53 -0.54 0.03 0.00 0.53 0.00 0.00 43.42 43.97 2ens n LEU 61 CO 0.36 1.91 0.76 -2.16 -1.11 0.00 0.00 177.39 177.15 2ens s PRO 62 N -1.77 3.03 -0.94 1.96 0.04 -1.26 -3.09 135.00 132.97 2ens s PRO 62 Ca 0.32 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 2ens s PRO 62 Cb 0.06 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2ens s PRO 62 CO -0.10 -1.09 0.80 0.39 0.04 0.00 0.00 177.00 177.04 2ens n GLU 63 N -1.96 -4.19 -2.73 4.56 1.02 0.21 -4.93 120.64 112.61 2ens n GLU 63 Ca 0.11 0.70 -0.34 0.00 -0.02 0.00 0.00 57.16 57.61 2ens n GLU 63 Cb 0.52 -5.19 -0.06 0.00 -0.02 0.00 0.00 31.44 26.69 2ens n GLU 63 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ens s ILE 64 N -3.30 4.18 0.00 -3.67 1.01 -0.67 -4.81 121.20 113.93 2ens s ILE 64 Ca 0.13 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2ens s ILE 64 Cb -0.02 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2ens s ILE 64 CO 0.60 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2ens n GLY 65 N -0.38 4.17 0.24 6.18 0.00 -1.26 0.18 105.19 114.32 2ens n GLY 65 Ca 0.07 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2ens n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ens h PRO 66 N 0.00 0.74 0.00 1.61 0.13 -1.97 -3.01 132.00 129.51 2ens h PRO 66 Ca 0.00 -0.39 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 2ens h PRO 66 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2ens h PRO 66 CO 0.00 1.01 -0.44 -0.56 -0.23 0.00 0.00 178.00 177.78 2ens h GLN 67 N 0.61 0.00 -0.11 0.86 3.07 -1.99 -3.01 115.11 114.53 2ens h GLN 67 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.66 2ens h GLN 67 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.50 2ens h GLN 67 CO 0.09 0.44 -0.50 -0.44 0.09 0.00 0.00 178.83 178.51 2ens h ASP 68 N 0.00 0.32 -1.64 0.06 5.19 -1.92 -3.45 116.42 114.98 2ens h ASP 68 Ca -0.00 -0.16 -0.64 0.00 -0.62 0.00 0.00 57.03 55.61 2ens h ASP 68 Cb 0.97 -0.09 0.11 0.00 0.18 0.00 0.00 39.33 40.49 2ens h ASP 68 CO 0.06 0.77 -0.23 0.00 -3.12 0.00 0.00 179.24 176.72 2ens n GLN 69 N -3.96 0.60 0.00 3.56 6.02 -1.14 -4.83 117.38 117.63 2ens n GLN 69 Ca -0.02 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2ens n GLN 69 Cb 0.55 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2ens n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ens n GLY 70 N 1.66 -0.61 2.67 1.08 0.00 -0.57 -4.99 105.19 104.44 2ens n GLY 70 Ca 0.14 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 2ens n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ens s THR 71 N -4.00 -0.15 0.36 2.61 2.01 -1.26 -0.85 115.64 114.37 2ens s THR 71 Ca 0.00 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.16 2ens s THR 71 Cb 0.00 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2ens s THR 71 CO 0.00 -0.08 0.45 -0.31 -0.69 0.00 0.00 174.62 173.99 2ens s TYR 72 N 2.19 2.97 -0.28 4.92 1.51 0.89 -2.91 117.35 126.65 2ens s TYR 72 Ca 0.04 -0.30 -0.23 0.00 -1.01 0.00 0.00 57.07 55.57 2ens s TYR 72 Cb -0.14 -2.05 0.13 0.00 -0.11 0.00 0.00 41.96 39.79 2ens s TYR 72 CO -0.07 -0.06 1.03 0.45 -1.11 0.00 0.00 175.55 175.79 2ens s SER 73 N -4.17 -0.45 -0.16 2.29 0.15 -1.14 -0.10 113.70 110.12 2ens s SER 73 Ca 0.46 0.84 -0.07 0.00 0.70 0.00 0.00 55.95 57.88 2ens s SER 73 Cb -0.08 0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 65.10 2ens s SER 73 CO 0.30 -0.14 0.08 0.00 1.20 0.00 0.00 173.24 174.68 2ens s VAL 75 N -0.01 3.06 -0.19 0.00 1.01 -1.24 -0.77 120.40 122.27 2ens s VAL 75 Ca 0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 2ens s VAL 75 Cb -0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2ens s VAL 75 CO 0.01 0.53 0.05 0.00 0.00 0.00 0.00 175.10 175.68 2ens s ALA 76 N 0.31 3.30 -0.23 5.51 0.00 -0.64 -2.72 121.76 127.29 2ens s ALA 76 Ca -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2ens s ALA 76 Cb -0.16 -1.90 0.09 0.00 0.00 0.00 0.00 23.12 21.15 2ens s ALA 76 CO 0.06 0.05 0.16 0.95 0.00 0.00 0.00 175.76 176.97 2ens s THR 77 N 0.62 -0.18 0.24 0.00 -4.23 -1.17 -3.01 115.64 107.91 2ens s THR 77 Ca 0.02 -0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 60.02 2ens s THR 77 Cb -0.13 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 72.95 2ens s THR 77 CO 0.02 -0.41 0.52 -1.38 -0.54 0.00 0.00 174.62 172.82 2ens s HIS 78 N 2.20 0.15 0.56 3.99 -3.43 -1.26 -4.15 115.29 113.34 2ens s HIS 78 Ca 0.06 -0.53 -0.15 0.00 -0.80 0.00 0.00 55.06 53.65 2ens s HIS 78 Cb -0.16 0.32 -0.13 0.00 -1.43 0.00 0.00 32.58 31.19 2ens s HIS 78 CO -0.21 -1.00 -0.29 -1.13 -2.00 0.00 0.00 174.74 170.11 2ens n SER 79 N -0.38 -3.72 -4.20 7.38 3.41 -1.26 -1.59 113.62 113.26 2ens n SER 79 Ca -0.04 0.43 -0.32 0.00 -0.26 0.00 0.00 58.87 58.67 2ens n SER 79 Cb 0.62 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 2ens n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ens n SER 80 N 2.37 -0.87 -3.74 4.04 7.64 -1.26 -4.89 113.62 116.92 2ens n SER 80 Ca 0.04 -1.12 -0.03 0.00 1.01 0.00 0.00 58.87 58.77 2ens n SER 80 Cb 0.42 -2.38 -0.01 0.00 -1.01 0.00 0.00 64.21 61.23 2ens n SER 80 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2ens s HIS 81 N -3.83 -0.12 0.02 1.43 5.04 -0.62 -5.19 115.29 112.01 2ens s HIS 81 Ca 0.29 -0.16 0.00 0.00 -1.54 0.00 0.00 55.06 53.65 2ens s HIS 81 Cb -0.16 0.63 -0.00 0.00 0.04 0.00 0.00 32.58 33.09 2ens s HIS 81 CO 0.95 -0.76 0.01 0.41 -2.34 0.00 0.00 174.74 173.00 2ens n GLY 82 N -0.47 4.04 3.58 1.59 0.00 -1.26 -4.59 105.19 108.07 2ens n GLY 82 Ca -0.06 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2ens n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ens s PRO 83 N -2.08 2.50 -0.34 1.61 0.04 -1.26 -4.35 135.00 131.11 2ens s PRO 83 Ca 0.01 -1.11 -0.14 0.00 0.04 0.00 0.00 61.00 59.80 2ens s PRO 83 Cb 0.00 -5.23 -0.01 0.00 0.04 0.00 0.00 34.50 29.29 2ens s PRO 83 CO 0.01 -3.95 0.29 -1.14 0.04 0.00 0.00 177.00 172.25 2ens s GLN 84 N 6.50 3.50 -0.30 4.56 0.74 -1.16 -4.98 119.66 128.51 2ens s GLN 84 Ca 0.68 -0.58 -0.13 0.00 0.05 0.00 0.00 55.36 55.38 2ens s GLN 84 Cb -0.01 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2ens s GLN 84 CO 0.12 -0.49 0.30 -2.00 -0.55 0.00 0.00 175.29 172.67 2ens s GLU 85 N 1.83 3.84 0.80 1.67 2.12 -1.26 -1.62 118.70 126.07 2ens s GLU 85 Ca 0.08 -0.25 -0.11 0.00 0.36 0.00 0.00 54.97 55.05 2ens s GLU 85 Cb -0.17 -3.71 0.08 0.00 0.26 0.00 0.00 34.13 30.59 2ens s GLU 85 CO 0.11 -0.32 1.12 -1.54 -0.54 0.00 0.00 175.26 174.09 2ens s SER 86 N 1.71 4.07 0.39 -1.70 1.04 0.05 -4.91 113.70 114.35 2ens s SER 86 Ca 0.11 2.00 -0.22 0.00 0.48 0.00 0.00 55.95 58.32 2ens s SER 86 Cb -0.16 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.26 2ens s SER 86 CO 0.11 -2.33 0.24 0.54 0.98 0.00 0.00 173.24 172.78 2ens n ARG 87 N -3.54 0.14 -2.88 4.02 5.12 -1.26 -4.48 116.66 113.78 2ens n ARG 87 Ca 0.10 0.05 -0.41 0.00 -1.93 0.00 0.00 57.85 55.66 2ens n ARG 87 Cb 0.52 -1.13 -0.04 0.00 -1.16 0.00 0.00 32.46 30.65 2ens n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ens s ALA 88 N -1.57 3.46 -0.35 7.54 0.00 -1.26 -4.64 121.76 124.94 2ens s ALA 88 Ca 0.61 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 2ens s ALA 88 Cb -0.65 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.23 2ens s ALA 88 CO 0.61 -0.55 0.28 0.54 0.00 0.00 0.00 175.76 176.64 2ens s VAL 89 N 1.88 5.25 -0.61 0.00 0.11 0.86 -4.91 120.40 122.99 2ens s VAL 89 Ca 0.40 -0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 59.07 2ens s VAL 89 Cb -0.17 -3.76 0.08 0.00 -1.53 0.00 0.00 36.38 31.00 2ens s VAL 89 CO 0.15 -0.05 0.83 -0.94 -3.33 0.00 0.00 175.10 171.76 2ens s SER 90 N 1.72 6.19 -0.26 3.54 1.04 -1.26 -0.07 113.70 124.61 2ens s SER 90 Ca 0.08 -1.09 -0.28 0.00 0.48 0.00 0.00 55.95 55.13 2ens s SER 90 Cb -0.17 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.59 2ens s SER 90 CO 0.11 -1.25 1.03 -0.63 0.98 0.00 0.00 173.24 173.47 2ens s ILE 91 N 3.41 4.65 0.26 -1.02 -1.09 -0.03 -4.71 121.20 122.68 2ens s ILE 91 Ca 0.18 1.89 0.03 0.00 -2.23 0.00 0.00 60.65 60.52 2ens s ILE 91 Cb -0.19 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.31 2ens s ILE 91 CO 0.10 -0.26 0.02 -0.44 -1.23 0.00 0.00 174.94 173.13 2ens s SER 92 N 1.35 1.90 -0.04 3.58 0.01 -1.19 -1.51 113.70 117.80 2ens s SER 92 Ca 0.43 -1.28 -0.17 0.00 1.31 0.00 0.00 55.95 56.24 2ens s SER 92 Cb -0.14 0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 2ens s SER 92 CO 0.09 -0.56 0.47 -0.63 0.41 0.00 0.00 173.24 173.01 2ens s ILE 93 N -3.42 5.04 0.05 1.44 1.01 -1.26 -2.12 121.20 121.95 2ens s ILE 93 Ca 0.32 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.82 2ens s ILE 93 Cb 0.07 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 2ens s ILE 93 CO 0.11 0.47 0.39 -0.63 0.00 0.00 0.00 174.94 175.28 2ens s ILE 94 N -0.35 5.09 -0.82 2.92 1.01 -1.00 -4.90 121.20 123.15 2ens s ILE 94 Ca 0.26 0.53 -0.06 0.00 0.00 0.00 0.00 60.65 61.38 2ens s ILE 94 Cb -0.17 -3.65 0.21 0.00 0.01 0.00 0.00 42.46 38.86 2ens s ILE 94 CO 0.13 0.37 0.72 -1.61 0.00 0.00 0.00 174.94 174.54 2ens s GLU 95 N -1.69 3.27 0.00 2.79 2.02 -1.26 -4.63 118.70 119.20 2ens s GLU 95 Ca 0.30 -2.82 0.16 0.00 0.02 0.00 0.00 54.97 52.63 2ens s GLU 95 Cb -0.14 -4.10 0.94 0.00 0.10 0.00 0.00 34.13 30.92 2ens s GLU 95 CO 0.17 -1.24 1.35 -0.35 0.02 0.00 0.00 175.26 175.20