#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 4.40 -0.11 1.61 1.04 -1.26 -5.04 113.70 114.33 2ens s SER 2 Ca 0.00 1.89 0.02 0.00 0.48 0.00 0.00 55.95 58.34 2ens s SER 2 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 2ens s SER 2 CO 0.00 -2.11 -0.18 -0.94 0.98 0.00 0.00 173.24 170.99 2ens s SER 3 N -3.20 3.58 0.00 7.02 1.04 -1.26 -5.01 113.70 115.87 2ens s SER 3 Ca 0.63 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2ens s SER 3 Cb -0.18 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.49 2ens s SER 3 CO 0.54 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.55 2ens n GLY 4 N 3.43 -0.10 2.99 7.32 0.00 -1.26 -5.15 105.19 112.42 2ens n GLY 4 Ca -0.18 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2ens n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ens s SER 5 N 1.10 0.58 0.27 1.61 0.01 -1.26 -5.06 113.70 110.94 2ens s SER 5 Ca 0.00 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.96 2ens s SER 5 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 2ens s SER 5 CO 0.00 -0.10 0.25 -0.44 0.41 0.00 0.00 173.24 173.36 2ens s SER 6 N -0.85 0.75 0.06 2.44 0.01 -1.26 -5.07 113.70 109.79 2ens s SER 6 Ca -0.05 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.71 2ens s SER 6 Cb -0.06 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2ens s SER 6 CO -0.00 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2ens n GLY 7 N -0.44 0.50 3.48 3.44 0.00 -1.26 -4.91 105.19 106.01 2ens n GLY 7 Ca 0.04 -1.08 -0.61 0.00 0.00 0.00 0.00 46.02 44.36 2ens n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ens n LEU 8 N 0.00 0.67 -3.65 0.99 -0.00 -1.26 -4.93 117.00 108.81 2ens n LEU 8 Ca 0.00 1.12 -0.05 0.00 -0.00 0.00 0.00 56.01 57.08 2ens n LEU 8 Cb 0.00 -0.86 -0.07 0.00 -0.00 0.00 0.00 43.42 42.50 2ens n LEU 8 CO 0.00 -1.22 0.19 -1.83 -0.00 0.00 0.00 177.39 174.53 2ens s GLU 9 N 1.67 0.51 0.00 1.47 -1.05 -1.26 -5.04 118.70 115.01 2ens s GLU 9 Ca 0.95 1.25 0.00 0.00 -0.15 0.00 0.00 54.97 57.01 2ens s GLU 9 Cb -1.34 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.88 2ens s GLU 9 CO 0.68 -0.20 0.00 -0.85 0.95 0.00 0.00 175.26 175.84 2ens n GLU 10 N 5.16 0.00 -1.00 -4.83 0.00 -1.26 -5.10 120.64 113.60 2ens n GLU 10 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.67 2ens n GLU 10 Cb 0.51 -0.69 0.05 0.00 0.00 0.00 0.00 31.44 31.31 2ens n GLU 10 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2ens n VAL 11 N -1.99 0.03 -3.73 3.84 0.24 -1.26 -4.93 118.33 110.53 2ens n VAL 11 Ca 0.00 -0.47 -0.28 0.00 -2.04 0.00 0.00 64.34 61.55 2ens n VAL 11 Cb 0.22 -0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.41 2ens n VAL 11 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2ens n GLN 12 N 1.98 2.05 -3.39 7.34 -0.06 -1.20 -5.02 117.38 119.07 2ens n GLN 12 Ca -0.00 -4.53 -0.45 0.00 -2.00 0.00 0.00 57.00 50.02 2ens n GLN 12 Cb 0.55 -2.26 -0.04 0.00 -4.06 0.00 0.00 30.24 24.42 2ens n GLN 12 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2ens s LEU 13 N -1.80 6.33 -0.57 1.69 2.96 -1.26 -3.07 118.68 122.97 2ens s LEU 13 Ca 0.30 -2.38 -0.14 0.00 -0.22 0.00 0.00 54.13 51.70 2ens s LEU 13 Cb 0.03 -2.15 0.14 0.00 0.50 0.00 0.00 46.19 44.71 2ens s LEU 13 CO -0.12 -0.64 0.50 -0.69 -1.32 0.00 0.00 176.35 174.08 2ens s VAL 14 N 0.67 4.99 0.31 1.68 1.01 -0.94 -4.95 120.40 123.17 2ens s VAL 14 Ca 0.12 -1.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.09 2ens s VAL 14 Cb -0.18 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 2ens s VAL 14 CO -0.04 -0.87 0.95 -0.69 0.00 0.00 0.00 175.10 174.45 2ens s VAL 15 N 1.30 4.16 -0.26 2.92 1.01 -1.26 -2.52 120.40 125.76 2ens s VAL 15 Ca 0.06 1.87 0.01 0.00 0.00 0.00 0.00 61.98 63.92 2ens s VAL 15 Cb -0.26 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.11 2ens s VAL 15 CO 0.00 0.22 -0.01 -1.61 0.00 0.00 0.00 175.10 173.71 2ens s GLU 16 N -1.86 1.36 0.85 2.72 0.41 0.31 0.39 118.70 122.88 2ens s GLU 16 Ca 0.48 -1.05 -0.11 0.00 -0.41 0.00 0.00 54.97 53.88 2ens s GLU 16 Cb -0.20 -2.52 0.10 0.00 -1.78 0.00 0.00 34.13 29.73 2ens s GLU 16 CO 0.26 -0.71 1.09 -1.25 -0.49 0.00 0.00 175.26 174.16 2ens s PRO 17 N 1.42 1.63 0.44 0.39 0.04 -1.26 -1.23 135.00 136.43 2ens s PRO 17 Ca -0.01 0.95 0.24 0.00 0.04 0.00 0.00 61.00 62.23 2ens s PRO 17 Cb -0.18 -1.84 0.84 0.00 0.04 0.00 0.00 34.50 33.36 2ens s PRO 17 CO -0.10 -2.02 1.79 1.05 0.04 0.00 0.00 177.00 177.77 2ens h GLU 18 N -1.39 0.00 -0.09 4.56 4.11 -0.44 -3.06 114.58 118.27 2ens h GLU 18 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 2ens h GLU 18 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2ens h GLU 18 CO 0.53 0.21 0.01 0.78 0.07 0.00 0.00 179.01 180.61 2ens h GLY 19 N 2.37 0.12 0.00 1.06 0.00 -1.98 -3.45 103.07 101.19 2ens h GLY 19 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2ens h GLY 19 CO 0.03 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.23 2ens n GLY 20 N -1.39 0.48 2.85 4.60 0.00 -1.16 -4.99 105.19 105.59 2ens n GLY 20 Ca -0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 0.24 0.10 4.61 0.00 -1.26 -2.05 121.76 121.40 2ens s ALA 21 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 2ens s ALA 21 Cb 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2ens s ALA 21 CO 0.00 -0.02 0.31 0.14 0.00 0.00 0.00 175.76 176.19 2ens s VAL 22 N 0.59 0.10 0.93 0.00 -7.23 -0.99 -4.84 120.40 108.96 2ens s VAL 22 Ca -0.06 -0.80 -0.10 0.00 -1.81 0.00 0.00 61.98 59.21 2ens s VAL 22 Cb -0.08 -1.19 0.15 0.00 0.56 0.00 0.00 36.38 35.82 2ens s VAL 22 CO -0.01 -0.44 1.14 0.00 -0.31 0.00 0.00 175.10 175.48 2ens s ALA 23 N -3.61 1.37 -0.93 1.32 0.00 -1.26 -1.82 121.76 116.83 2ens s ALA 23 Ca 0.02 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 2ens s ALA 23 Cb 0.02 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2ens s ALA 23 CO -0.10 -2.85 1.95 -1.25 0.00 0.00 0.00 175.76 173.51 2ens s PRO 24 N -4.63 2.55 0.00 0.00 0.04 -1.26 -2.56 135.00 129.14 2ens s PRO 24 Ca 0.67 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2ens s PRO 24 Cb -0.23 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2ens s PRO 24 CO 0.58 -3.44 0.00 0.41 0.04 0.00 0.00 177.00 174.59 2ens n GLY 25 N 6.74 1.24 0.00 0.56 0.00 0.37 -4.91 105.19 109.20 2ens n GLY 25 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 1.64 2.77 -0.02 0.00 -1.06 -4.43 105.19 104.09 2ens n GLY 26 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 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 2.05 -0.19 -0.14 2.61 2.01 -1.26 -0.27 115.64 120.44 2ens s THR 27 Ca 0.00 0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 2ens s THR 27 Cb 0.00 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 2ens s THR 27 CO 0.00 0.16 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.28 2ens s VAL 28 N 2.20 3.12 -0.26 3.82 1.01 -1.20 -4.71 120.40 124.39 2ens s VAL 28 Ca 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2ens s VAL 28 Cb -0.12 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2ens s VAL 28 CO -0.05 0.51 0.01 -0.89 0.00 0.00 0.00 175.10 174.68 2ens s THR 29 N 0.50 3.55 -0.31 3.92 2.01 -0.36 -0.76 115.64 124.19 2ens s THR 29 Ca -0.08 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 2ens s THR 29 Cb -0.16 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.61 2ens s THR 29 CO 0.04 0.23 0.13 -0.76 -0.69 0.00 0.00 174.62 173.57 2ens s LEU 30 N 1.46 4.05 -0.03 4.42 1.02 0.11 -0.53 118.68 129.18 2ens s LEU 30 Ca 0.03 -0.62 -0.08 0.00 0.02 0.00 0.00 54.13 53.48 2ens s LEU 30 Cb -0.16 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.05 2ens s LEU 30 CO -0.01 -0.21 0.25 -0.89 0.02 0.00 0.00 176.35 175.52 2ens s THR 31 N 1.57 5.32 -0.10 5.49 2.01 -1.05 -0.72 115.64 128.15 2ens s THR 31 Ca 0.04 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 2ens s THR 31 Cb -0.17 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 68.85 2ens s THR 31 CO 0.05 0.46 0.16 0.00 -0.69 0.00 0.00 174.62 174.60 2ens s GLU 33 N 2.28 0.55 -0.10 0.00 2.02 -1.17 -4.53 118.70 117.75 2ens s GLU 33 Ca 0.04 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.17 2ens s GLU 33 Cb -0.13 -0.15 -0.01 0.00 0.10 0.00 0.00 34.13 33.95 2ens s GLU 33 CO -0.07 0.00 -0.20 0.08 0.02 0.00 0.00 175.26 175.09 2ens s VAL 34 N -2.09 2.41 0.21 2.63 1.01 -1.25 -3.26 120.40 120.06 2ens s VAL 34 Ca -0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2ens s VAL 34 Cb -0.05 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2ens s VAL 34 CO -0.02 0.55 1.57 1.55 0.00 0.00 0.00 175.10 178.75 2ens h PRO 35 N 6.54 0.61 0.00 2.72 0.13 -1.98 -3.00 132.00 137.03 2ens h PRO 35 Ca -0.24 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2ens h PRO 35 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ens h PRO 35 CO 0.50 0.92 -0.12 0.00 -0.23 0.00 0.00 178.00 179.06 2ens h ALA 36 N 1.04 0.94 -3.16 -0.56 0.00 -2.01 -3.43 119.26 112.08 2ens h ALA 36 Ca 0.04 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.33 2ens h ALA 36 Cb 0.94 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.37 2ens h ALA 36 CO 0.08 0.00 -0.84 -0.65 0.00 0.00 0.00 179.25 177.84 2ens s GLN 37 N -3.22 2.44 -0.02 0.00 -1.52 -1.13 -5.03 119.66 111.18 2ens s GLN 37 Ca 0.06 -0.62 -0.25 0.00 -1.95 0.00 0.00 55.36 52.60 2ens s GLN 37 Cb 0.06 -2.14 -0.19 0.00 -0.22 0.00 0.00 33.01 30.52 2ens s GLN 37 CO 0.68 -0.16 1.21 -1.00 -0.25 0.00 0.00 175.29 175.77 2ens h PRO 38 N 7.78 -0.09 -2.07 2.91 0.13 -1.85 -3.34 132.00 135.48 2ens h PRO 38 Ca -0.37 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.25 2ens h PRO 38 Cb 1.15 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 2ens h PRO 38 CO 0.53 0.37 -1.04 0.43 -0.23 0.00 0.00 178.00 178.06 2ens n SER 39 N -4.90 1.61 -3.16 1.44 7.64 -1.26 -4.87 113.62 110.11 2ens n SER 39 Ca -0.08 -3.12 -0.19 0.00 1.01 0.00 0.00 58.87 56.49 2ens n SER 39 Cb 0.25 -0.61 0.16 0.00 -1.01 0.00 0.00 64.21 63.00 2ens n SER 39 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ens n PRO 40 N 0.38 -2.35 -2.97 1.43 -0.04 -1.26 -4.95 135.00 125.24 2ens n PRO 40 Ca 0.26 -1.10 -0.44 0.00 -0.04 0.00 0.00 63.50 62.18 2ens n PRO 40 Cb 0.57 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 2ens n PRO 40 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2ens s GLN 41 N -4.55 3.29 -0.11 0.54 1.11 -1.10 -5.00 119.66 113.84 2ens s GLN 41 Ca 0.44 -1.36 -0.30 0.00 0.01 0.00 0.00 55.36 54.16 2ens s GLN 41 Cb -0.04 -4.49 -0.01 0.00 -1.01 0.00 0.00 33.01 27.46 2ens s GLN 41 CO 0.34 -1.71 1.04 0.42 0.01 0.00 0.00 175.29 175.39 2ens s ILE 42 N 3.06 4.68 0.16 1.08 -1.09 -1.26 -2.92 121.20 124.91 2ens s ILE 42 Ca 0.23 1.97 0.08 0.00 -2.23 0.00 0.00 60.65 60.69 2ens s ILE 42 Cb -0.14 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 2ens s ILE 42 CO 0.01 -0.02 -0.17 -1.00 -1.23 0.00 0.00 174.94 172.54 2ens s HIS 43 N 2.19 1.74 -0.15 3.97 3.76 -0.65 -4.04 115.29 122.10 2ens s HIS 43 Ca 0.49 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 2ens s HIS 43 Cb -0.19 -0.86 0.03 0.00 1.11 0.00 0.00 32.58 32.66 2ens s HIS 43 CO 0.17 0.30 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.66 2ens s TRP 44 N -2.20 2.15 0.09 1.40 0.52 -1.26 -1.60 118.94 118.04 2ens s TRP 44 Ca 0.16 -1.24 0.10 0.00 0.02 0.00 0.00 56.10 55.14 2ens s TRP 44 Cb -0.05 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 2ens s TRP 44 CO 0.06 -0.67 -0.26 -1.64 0.02 0.00 0.00 176.95 174.46 2ens s MET 45 N 1.49 1.51 -0.20 4.98 -1.94 -0.94 -2.91 119.30 121.29 2ens s MET 45 Ca 0.04 -1.22 0.01 0.00 -1.71 0.00 0.00 55.69 52.81 2ens s MET 45 Cb -0.13 -1.85 0.05 0.00 2.01 0.00 0.00 34.83 34.90 2ens s MET 45 CO -0.10 0.45 -0.08 0.21 -0.01 0.00 0.00 175.02 175.49 2ens s LYS 46 N -1.69 1.81 -1.30 2.03 2.20 0.74 -2.67 119.74 120.85 2ens s LYS 46 Ca 0.12 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.91 2ens s LYS 46 Cb -0.10 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 2ens s LYS 46 CO 0.04 -0.46 0.34 -0.25 -0.36 0.00 0.00 175.35 174.66 2ens n ASP 47 N 4.73 -5.13 -0.49 1.43 9.92 -1.16 -2.35 116.55 123.49 2ens n ASP 47 Ca -0.14 -0.16 -0.04 0.00 -0.53 0.00 0.00 54.79 53.92 2ens n ASP 47 Cb 0.46 -4.05 -0.00 0.00 -0.64 0.00 0.00 41.12 36.89 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ens n GLY 48 N -1.26 0.25 2.80 0.44 0.00 -1.26 -5.05 105.19 101.11 2ens n GLY 48 Ca -0.12 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.26 -0.06 0.04 1.61 1.01 -0.99 -5.13 120.40 114.62 2ens s VAL 49 Ca 0.01 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 2ens s VAL 49 Cb -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 36.38 36.21 2ens s VAL 49 CO 0.01 0.08 1.41 -2.16 0.00 0.00 0.00 175.10 174.45 2ens s PRO 50 N 1.04 4.29 -0.05 2.72 0.04 -1.26 -0.19 135.00 141.60 2ens s PRO 50 Ca -0.09 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 2ens s PRO 50 Cb -0.12 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2ens s PRO 50 CO -0.03 -0.54 0.17 -0.51 0.04 0.00 0.00 177.00 176.14 2ens s LEU 51 N 1.97 4.38 -0.89 -3.56 1.43 -1.15 -4.94 118.68 115.92 2ens s LEU 51 Ca 0.65 0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 53.91 2ens s LEU 51 Cb -0.34 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 2ens s LEU 51 CO 0.28 0.31 1.94 -2.16 0.23 0.00 0.00 176.35 176.96 2ens s PRO 52 N -1.61 2.56 0.05 1.29 0.04 -1.26 -4.88 135.00 131.18 2ens s PRO 52 Ca 0.23 -0.27 -0.17 0.00 0.04 0.00 0.00 61.00 60.83 2ens s PRO 52 Cb -0.12 -5.05 0.03 0.00 0.04 0.00 0.00 34.50 29.40 2ens s PRO 52 CO 0.13 -3.36 0.39 -0.51 0.04 0.00 0.00 177.00 173.70 2ens s LEU 53 N 10.05 0.49 0.26 -3.56 1.43 -1.26 -5.15 118.68 120.94 2ens s LEU 53 Ca 0.70 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.46 2ens s LEU 53 Cb -0.07 1.67 -0.09 0.00 0.03 0.00 0.00 46.19 47.73 2ens s LEU 53 CO -0.00 -0.66 1.26 -2.16 0.23 0.00 0.00 176.35 175.02 2ens s PRO 54 N -2.51 4.43 -0.10 1.29 0.04 -1.26 -4.97 135.00 131.92 2ens s PRO 54 Ca -0.05 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 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 -0.03 -0.14 1.53 -1.25 0.04 0.00 0.00 177.00 177.15 2ens s PRO 55 N -0.92 4.17 -0.15 0.56 0.04 -1.26 -4.99 135.00 132.44 2ens s PRO 55 Ca 0.52 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 2ens s PRO 55 Cb -0.37 -3.92 0.06 0.00 0.04 0.00 0.00 34.50 30.32 2ens s PRO 55 CO 0.44 -0.83 0.63 0.45 0.04 0.00 0.00 177.00 177.72 2ens s SER 56 N 2.97 -0.62 0.00 6.66 0.15 -1.26 -4.93 113.70 116.67 2ens s SER 56 Ca 0.67 0.98 0.10 0.00 0.70 0.00 0.00 55.95 58.41 2ens s SER 56 Cb -0.29 0.95 0.62 0.00 -1.71 0.00 0.00 66.02 65.59 2ens s SER 56 CO 0.25 -0.38 1.06 -0.81 1.20 0.00 0.00 173.24 174.55 2ens n PRO 57 N 1.95 0.49 -3.52 5.44 -0.04 -1.26 -4.35 135.00 133.71 2ens n PRO 57 Ca -0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2ens n PRO 57 Cb 0.56 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.20 -0.19 0.52 1.01 -1.26 -0.81 120.40 117.47 2ens s VAL 58 Ca 0.16 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2ens s VAL 58 Cb 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2ens s VAL 58 CO 0.12 -0.43 0.20 -0.22 0.00 0.00 0.00 175.10 174.77 2ens s LEU 59 N 2.22 4.21 -0.20 3.92 2.96 0.10 -4.93 118.68 126.96 2ens s LEU 59 Ca 0.07 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 2ens s LEU 59 Cb -0.16 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.34 2ens s LEU 59 CO -0.23 0.13 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.18 2ens s ILE 60 N 0.47 2.59 -0.93 6.68 1.09 -1.26 0.04 121.20 129.88 2ens s ILE 60 Ca 0.11 -0.84 -0.01 0.00 -1.10 0.00 0.00 60.65 58.82 2ens s ILE 60 Cb -0.12 -2.17 0.28 0.00 -1.06 0.00 0.00 42.46 39.39 2ens s ILE 60 CO 0.01 0.44 1.15 -0.11 -0.10 0.00 0.00 174.94 176.32 2ens n LEU 61 N 4.68 5.28 -4.77 2.97 7.94 0.06 -4.97 117.00 128.19 2ens n LEU 61 Ca -0.19 -5.26 -0.35 0.00 -1.11 0.00 0.00 56.01 49.10 2ens n LEU 61 Cb 0.50 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.36 2ens n LEU 61 CO 0.27 1.76 0.78 -2.16 -1.11 0.00 0.00 177.39 176.93 2ens s PRO 62 N -2.40 3.32 -1.14 1.96 0.04 -1.26 -3.24 135.00 132.27 2ens s PRO 62 Ca 0.33 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 2ens s PRO 62 Cb 0.05 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2ens s PRO 62 CO 0.03 -0.87 0.92 0.39 0.04 0.00 0.00 177.00 177.51 2ens n GLU 63 N -1.37 -4.21 -2.43 4.56 4.71 0.63 -4.96 120.64 117.58 2ens n GLU 63 Ca 0.12 0.81 -0.35 0.00 -0.01 0.00 0.00 57.16 57.72 2ens n GLU 63 Cb 0.51 -5.69 -0.02 0.00 -1.01 0.00 0.00 31.44 25.23 2ens n GLU 63 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2ens s ILE 64 N -3.41 3.50 0.00 -3.67 1.01 -0.88 -4.78 121.20 112.97 2ens s ILE 64 Ca 0.23 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2ens s ILE 64 Cb -0.04 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2ens s ILE 64 CO 0.75 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.18 2ens n GLY 65 N 0.11 4.73 0.17 6.18 0.00 -1.26 0.14 105.19 115.26 2ens n GLY 65 Ca 0.08 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -0.83 1.61 0.13 -1.97 -2.81 132.00 128.13 2ens h PRO 66 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2ens h PRO 66 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2ens h PRO 66 CO 0.00 0.45 0.16 0.00 -0.23 0.00 0.00 178.00 178.38 2ens n GLN 67 N -3.89 2.89 -0.02 0.86 10.64 -1.26 -3.87 117.38 122.72 2ens n GLN 67 Ca -0.01 -2.01 -0.02 0.00 -1.83 0.00 0.00 57.00 53.13 2ens n GLN 67 Cb 0.49 -1.91 -0.04 0.00 -0.86 0.00 0.00 30.24 27.92 2ens n GLN 67 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2ens n ASP 68 N 0.04 3.75 -4.37 2.61 9.92 -1.06 -5.05 116.55 122.39 2ens n ASP 68 Ca 0.26 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.19 2ens n ASP 68 Cb 1.02 0.68 0.13 0.00 -0.64 0.00 0.00 41.12 42.32 2ens n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ens n GLN 69 N -2.14 -0.64 0.00 -1.24 6.02 -1.25 -4.93 117.38 113.21 2ens n GLN 69 Ca -0.08 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 2ens n GLN 69 Cb 0.62 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 1.68 0.97 3.72 1.08 0.00 -0.98 -4.92 105.19 106.73 2ens n GLY 70 Ca 0.05 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 2ens n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ens s THR 71 N -1.14 5.02 -0.14 2.61 -4.23 -1.26 -0.77 115.64 115.73 2ens s THR 71 Ca 0.00 1.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.93 2ens s THR 71 Cb 0.00 -4.02 0.02 0.00 1.34 0.00 0.00 72.50 69.84 2ens s THR 71 CO 0.00 0.28 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.90 2ens s TYR 72 N 0.64 2.14 0.05 3.99 1.51 0.45 -2.99 117.35 123.15 2ens s TYR 72 Ca 0.36 -1.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.29 2ens s TYR 72 Cb -0.18 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 2ens s TYR 72 CO 0.18 -0.63 -0.09 0.45 -1.11 0.00 0.00 175.55 174.35 2ens s SER 73 N 1.37 1.05 -0.13 2.29 0.15 -1.09 -2.73 113.70 114.60 2ens s SER 73 Ca 0.02 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 56.05 2ens s SER 73 Cb -0.13 0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2ens s SER 73 CO -0.09 -0.21 -0.09 0.00 1.20 0.00 0.00 173.24 174.06 2ens s VAL 75 N 0.17 4.83 -0.54 0.00 1.01 -0.63 -0.31 120.40 124.93 2ens s VAL 75 Ca -0.05 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2ens s VAL 75 Cb -0.14 -3.18 0.14 0.00 0.00 0.00 0.00 36.38 33.20 2ens s VAL 75 CO 0.04 0.41 0.31 0.00 0.00 0.00 0.00 175.10 175.85 2ens s ALA 76 N -1.15 3.04 0.40 5.51 0.00 -1.26 -1.64 121.76 126.66 2ens s ALA 76 Ca 0.21 -3.19 -0.06 0.00 0.00 0.00 0.00 51.96 48.92 2ens s ALA 76 Cb -0.12 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 2ens s ALA 76 CO 0.12 -2.05 0.69 0.99 0.00 0.00 0.00 175.76 175.52 2ens s THR 77 N -0.37 4.93 0.20 0.00 2.01 -1.15 -2.62 115.64 118.63 2ens s THR 77 Ca 0.20 0.20 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 2ens s THR 77 Cb -0.20 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.55 2ens s THR 77 CO -0.04 -0.59 0.41 0.00 -0.69 0.00 0.00 174.62 173.71 2ens n HIS 78 N -1.60 -1.66 -0.31 4.92 1.44 -1.26 -2.71 115.22 114.04 2ens n HIS 78 Ca -0.00 -0.93 0.06 0.00 -2.01 0.00 0.00 57.72 54.84 2ens n HIS 78 Cb 0.55 0.46 0.15 0.00 0.12 0.00 0.00 29.99 31.27 2ens n HIS 78 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2ens h SER 79 N 1.01 -0.72 -0.14 4.39 0.02 -1.98 1.50 113.55 117.63 2ens h SER 79 Ca -0.17 0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2ens h SER 79 Cb 0.63 0.52 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 2ens h SER 79 CO 0.22 -0.29 0.09 -0.24 -1.14 0.00 0.00 176.83 175.46 2ens n SER 80 N -5.53 2.99 -3.58 3.07 2.88 -1.26 -4.85 113.62 107.33 2ens n SER 80 Ca 0.15 -2.22 -0.17 0.00 -1.33 0.00 0.00 58.87 55.30 2ens n SER 80 Cb 0.50 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 2ens n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ens n HIS 81 N 0.25 -0.56 -3.48 0.66 -0.00 0.51 -4.81 115.22 107.80 2ens n HIS 81 Ca 0.08 0.14 -0.38 0.00 -0.00 0.00 0.00 57.72 57.56 2ens n HIS 81 Cb 0.64 -1.18 -0.04 0.00 -0.00 0.00 0.00 29.99 29.41 2ens n HIS 81 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ens n GLY 82 N -1.56 4.32 3.55 -1.39 0.00 -1.26 -4.84 105.19 104.02 2ens n GLY 82 Ca -0.09 -2.62 -0.39 0.00 0.00 0.00 0.00 46.02 42.93 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 -1.62 2.63 0.00 1.61 0.04 -1.18 -4.30 135.00 132.18 2ens s PRO 83 Ca 0.30 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 61.93 2ens s PRO 83 Cb -0.05 -4.39 -0.15 0.00 0.04 0.00 0.00 34.50 29.96 2ens s PRO 83 CO -0.08 -2.72 2.71 1.04 0.04 0.00 0.00 177.00 177.98 2ens n GLN 84 N 9.18 1.44 -0.90 4.56 6.02 -1.08 -4.67 117.38 131.92 2ens n GLN 84 Ca 0.20 -0.55 -0.43 0.00 -0.01 0.00 0.00 57.00 56.22 2ens n GLN 84 Cb 0.52 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 30.09 2ens n GLN 84 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2ens n GLU 85 N 2.17 0.00 -0.68 -1.09 2.13 -1.26 -4.51 120.64 117.39 2ens n GLU 85 Ca 0.23 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.76 2ens n GLU 85 Cb 0.68 -1.08 0.25 0.00 0.27 0.00 0.00 31.44 31.56 2ens n GLU 85 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ens s SER 86 N 4.36 0.51 1.18 4.31 1.04 0.57 -4.95 113.70 120.72 2ens s SER 86 Ca 0.86 1.09 -0.18 0.00 0.48 0.00 0.00 55.95 58.20 2ens s SER 86 Cb -1.07 -1.64 0.22 0.00 0.10 0.00 0.00 66.02 63.64 2ens s SER 86 CO 0.47 -4.43 0.46 -2.11 0.98 0.00 0.00 173.24 168.61 2ens n ARG 87 N -5.03 -2.81 -3.78 4.02 1.85 -1.26 -4.59 116.66 105.06 2ens n ARG 87 Ca 0.08 -0.82 -0.37 0.00 -1.00 0.00 0.00 57.85 55.73 2ens n ARG 87 Cb 0.57 -1.72 -0.13 0.00 -1.05 0.00 0.00 32.46 30.14 2ens n ARG 87 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ens s ALA 88 N -2.16 3.02 -0.19 2.89 0.00 -1.26 -4.47 121.76 119.59 2ens s ALA 88 Ca 0.53 -1.59 -0.09 0.00 0.00 0.00 0.00 51.96 50.80 2ens s ALA 88 Cb -0.11 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 2ens s ALA 88 CO 0.51 -1.11 0.13 0.54 0.00 0.00 0.00 175.76 175.83 2ens s VAL 89 N 1.43 5.40 -0.38 0.00 0.11 -1.11 -4.89 120.40 120.96 2ens s VAL 89 Ca 0.00 0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 59.09 2ens s VAL 89 Cb -0.18 -3.45 0.01 0.00 -1.53 0.00 0.00 36.38 31.23 2ens s VAL 89 CO 0.02 0.47 0.32 -0.94 -3.33 0.00 0.00 175.10 171.64 2ens s SER 90 N 0.14 6.12 -0.15 3.54 1.04 -1.26 -0.41 113.70 122.72 2ens s SER 90 Ca 0.09 -0.63 -0.25 0.00 0.48 0.00 0.00 55.95 55.64 2ens s SER 90 Cb -0.11 -2.17 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 2ens s SER 90 CO -0.01 -0.40 0.79 -0.63 0.98 0.00 0.00 173.24 173.96 2ens s ILE 91 N 1.83 4.93 0.13 -1.02 -1.09 0.05 -4.76 121.20 121.27 2ens s ILE 91 Ca 0.08 1.55 0.04 0.00 -2.23 0.00 0.00 60.65 60.10 2ens s ILE 91 Cb -0.18 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2ens s ILE 91 CO 0.11 0.09 -0.11 -0.44 -1.23 0.00 0.00 174.94 173.36 2ens s SER 92 N 1.09 1.75 0.00 3.58 0.01 -0.87 -2.33 113.70 116.94 2ens s SER 92 Ca 0.37 -0.95 -0.16 0.00 1.31 0.00 0.00 55.95 56.52 2ens s SER 92 Cb -0.17 -0.01 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 2ens s SER 92 CO 0.14 -0.30 0.45 -0.63 0.41 0.00 0.00 173.24 173.32 2ens s ILE 93 N -3.01 4.98 0.07 1.44 1.01 -1.26 -2.34 121.20 122.09 2ens s ILE 93 Ca 0.14 0.94 -0.10 0.00 0.00 0.00 0.00 60.65 61.62 2ens s ILE 93 Cb 0.01 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 2ens s ILE 93 CO 0.01 0.54 0.40 -0.63 0.00 0.00 0.00 174.94 175.26 2ens s ILE 94 N -0.87 5.09 -0.01 2.92 1.01 -0.76 -4.88 121.20 123.71 2ens s ILE 94 Ca 0.25 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.38 2ens s ILE 94 Cb -0.17 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2ens s ILE 94 CO 0.14 0.32 0.12 -1.83 0.00 0.00 0.00 174.94 173.69 2ens s GLU 95 N -1.81 3.21 0.00 2.79 1.03 -1.26 -4.44 118.70 118.22 2ens s GLU 95 Ca 0.32 -0.42 0.15 0.00 0.03 0.00 0.00 54.97 55.05 2ens s GLU 95 Cb -0.14 -2.95 0.92 0.00 -0.80 0.00 0.00 34.13 31.16 2ens s GLU 95 CO 0.17 0.66 1.34 -0.35 -1.33 0.00 0.00 175.26 175.75