#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 6.00 0.60 1.61 0.15 -1.26 -5.07 113.70 115.73 2ens s SER 2 Ca 0.00 -2.80 -0.20 0.00 0.70 0.00 0.00 55.95 53.65 2ens s SER 2 Cb 0.00 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 2ens s SER 2 CO 0.00 -0.46 1.33 -0.24 1.20 0.00 0.00 173.24 175.06 2ens n SER 3 N 3.69 2.39 0.00 5.45 2.88 -1.26 -4.62 113.62 122.15 2ens n SER 3 Ca 0.11 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2ens n SER 3 Cb 0.42 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2ens n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ens n GLY 4 N 0.84 3.61 3.54 0.46 0.00 -1.26 -4.72 105.19 107.66 2ens n GLY 4 Ca 0.13 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.00 -0.65 -0.55 1.61 0.01 -1.26 -5.12 113.70 103.73 2ens s SER 5 Ca 0.00 0.80 -0.21 0.00 1.31 0.00 0.00 55.95 57.85 2ens s SER 5 Cb 0.00 0.65 0.06 0.00 0.21 0.00 0.00 66.02 66.95 2ens s SER 5 CO 0.00 -0.54 0.75 -0.55 0.41 0.00 0.00 173.24 173.31 2ens s SER 6 N -0.96 6.23 -0.29 2.44 0.15 -1.26 -4.85 113.70 115.16 2ens s SER 6 Ca -0.09 -0.91 0.20 0.00 0.70 0.00 0.00 55.95 55.86 2ens s SER 6 Cb -0.01 -2.34 0.48 0.00 -1.71 0.00 0.00 66.02 62.45 2ens s SER 6 CO 0.08 -1.08 1.16 0.61 1.20 0.00 0.00 173.24 175.21 2ens n GLY 7 N 5.20 1.76 3.18 9.45 0.00 -1.26 -5.10 105.19 118.42 2ens n GLY 7 Ca -0.05 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 2ens n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ens s LEU 8 N -3.73 2.25 -0.31 0.99 2.96 -1.26 -5.12 118.68 114.45 2ens s LEU 8 Ca 0.24 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2ens s LEU 8 Cb 0.36 -0.58 0.10 0.00 0.50 0.00 0.00 46.19 46.57 2ens s LEU 8 CO -0.04 -0.03 0.11 -1.83 -1.32 0.00 0.00 176.35 173.24 2ens s GLU 9 N -1.58 0.66 -0.21 1.98 -1.05 -1.26 -4.99 118.70 112.26 2ens s GLU 9 Ca -0.00 -1.05 -0.17 0.00 -0.15 0.00 0.00 54.97 53.61 2ens s GLU 9 Cb -0.09 -1.88 -0.08 0.00 -0.44 0.00 0.00 34.13 31.64 2ens s GLU 9 CO 0.02 -1.00 -0.35 -1.91 0.95 0.00 0.00 175.26 172.97 2ens n GLU 10 N 4.83 0.55 -3.63 -4.83 4.07 -1.26 -4.93 120.64 115.43 2ens n GLU 10 Ca -0.02 0.23 -0.37 0.00 -0.06 0.00 0.00 57.16 56.94 2ens n GLU 10 Cb 0.42 -1.45 -0.11 0.00 -0.06 0.00 0.00 31.44 30.23 2ens n GLU 10 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ens s VAL 11 N -2.79 5.20 -0.83 6.31 1.01 -1.26 -4.94 120.40 123.10 2ens s VAL 11 Ca -0.32 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2ens s VAL 11 Cb 0.07 -3.46 0.21 0.00 0.00 0.00 0.00 36.38 33.20 2ens s VAL 11 CO 0.44 0.28 0.72 -1.58 0.00 0.00 0.00 175.10 174.96 2ens s GLN 12 N 1.59 3.25 0.11 2.72 0.74 -1.26 -5.00 119.66 121.81 2ens s GLN 12 Ca 0.07 -2.88 -0.31 0.00 0.05 0.00 0.00 55.36 52.28 2ens s GLN 12 Cb -0.15 -4.06 -0.11 0.00 1.10 0.00 0.00 33.01 29.79 2ens s GLN 12 CO 0.09 -1.24 1.85 -0.11 -0.55 0.00 0.00 175.29 175.33 2ens n LEU 13 N 3.06 4.01 -3.90 3.68 0.00 -1.26 -4.76 117.00 117.83 2ens n LEU 13 Ca 0.16 0.98 -0.30 0.00 0.00 0.00 0.00 56.01 56.85 2ens n LEU 13 Cb 0.40 -1.53 -0.15 0.00 0.00 0.00 0.00 43.42 42.13 2ens n LEU 13 CO 0.36 0.16 -0.31 -0.69 0.00 0.00 0.00 177.39 176.91 2ens s VAL 14 N 2.91 1.79 0.49 1.96 1.01 0.70 -5.02 120.40 124.24 2ens s VAL 14 Ca 0.83 -2.14 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 2ens s VAL 14 Cb -0.49 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 2ens s VAL 14 CO 0.38 -0.66 0.90 0.68 0.00 0.00 0.00 175.10 176.40 2ens s VAL 15 N 0.99 4.68 -0.14 2.92 -7.23 -1.26 -1.01 120.40 119.35 2ens s VAL 15 Ca 0.12 0.86 -0.01 0.00 -1.81 0.00 0.00 61.98 61.14 2ens s VAL 15 Cb -0.19 -3.76 0.04 0.00 0.56 0.00 0.00 36.38 33.02 2ens s VAL 15 CO -0.12 -0.71 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.21 2ens s GLU 16 N -4.22 1.32 0.99 4.82 2.56 0.69 -1.99 118.70 122.87 2ens s GLU 16 Ca 0.54 -0.37 -0.12 0.00 0.00 0.00 0.00 54.97 55.02 2ens s GLU 16 Cb -0.10 -1.79 0.18 0.00 2.00 0.00 0.00 34.13 34.42 2ens s GLU 16 CO 0.36 -0.39 1.09 -1.25 -0.56 0.00 0.00 175.26 174.52 2ens s PRO 17 N 1.70 0.49 0.16 4.30 0.04 -1.26 -1.63 135.00 138.81 2ens s PRO 17 Ca 0.02 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 2ens s PRO 17 Cb -0.14 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.75 2ens s PRO 17 CO -0.08 -2.70 1.77 1.05 0.04 0.00 0.00 177.00 177.08 2ens h GLU 18 N -1.87 0.36 -0.83 4.56 4.11 -1.80 -2.47 114.58 116.64 2ens h GLU 18 Ca -0.54 -0.02 0.21 0.00 0.07 0.00 0.00 59.36 59.08 2ens h GLU 18 Cb 1.32 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 2ens h GLU 18 CO 0.57 0.24 0.14 0.78 0.07 0.00 0.00 179.01 180.80 2ens h GLY 19 N 0.37 1.15 0.00 1.06 0.00 -1.97 -3.44 103.07 100.23 2ens h GLY 19 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2ens h GLY 19 CO -0.16 -0.34 0.00 0.61 0.00 0.00 0.00 176.54 176.65 2ens n GLY 20 N -1.40 1.01 3.09 4.60 0.00 -0.93 -5.02 105.19 106.54 2ens n GLY 20 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 1.10 0.06 4.61 0.00 -1.26 -2.49 121.76 121.78 2ens s ALA 21 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 2ens s ALA 21 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2ens s ALA 21 CO 0.00 0.26 0.19 0.14 0.00 0.00 0.00 175.76 176.36 2ens s VAL 22 N -0.27 0.13 0.90 0.00 -7.23 -0.90 -4.74 120.40 108.29 2ens s VAL 22 Ca 0.04 -1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 59.05 2ens s VAL 22 Cb -0.05 -1.14 0.07 0.00 0.56 0.00 0.00 36.38 35.82 2ens s VAL 22 CO -0.00 -0.58 0.77 0.00 -0.31 0.00 0.00 175.10 174.98 2ens n ALA 23 N 0.30 -1.56 -2.05 1.32 0.00 -1.26 -2.13 120.51 115.13 2ens n ALA 23 Ca -0.17 -0.52 -0.27 0.00 0.00 0.00 0.00 53.44 52.48 2ens n ALA 23 Cb 0.61 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 2ens n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ens s PRO 24 N -3.96 2.55 0.00 0.00 0.04 -1.26 -2.37 135.00 130.01 2ens s PRO 24 Ca 0.63 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2ens s PRO 24 Cb -0.24 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.22 2ens s PRO 24 CO 0.61 -3.44 0.00 0.41 0.04 0.00 0.00 177.00 174.63 2ens n GLY 25 N 6.75 1.08 0.00 0.56 0.00 0.64 -4.91 105.19 109.31 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 1.32 2.71 -0.02 0.00 -1.00 -4.29 105.19 103.93 2ens n GLY 26 Ca 0.00 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.99 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 1.70 -0.16 -0.22 2.61 2.01 -1.26 0.48 115.64 120.80 2ens s THR 27 Ca 0.00 0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 2ens s THR 27 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2ens s THR 27 CO 0.00 0.08 0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 2ens s VAL 28 N 2.21 5.06 -0.31 3.82 1.01 -1.19 -4.80 120.40 126.19 2ens s VAL 28 Ca 0.04 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 2ens s VAL 28 Cb -0.13 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2ens s VAL 28 CO -0.05 0.40 0.09 -0.89 0.00 0.00 0.00 175.10 174.65 2ens s THR 29 N 0.78 3.94 -0.24 3.92 2.01 -0.65 -1.38 115.64 124.03 2ens s THR 29 Ca 0.06 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.10 2ens s THR 29 Cb -0.13 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 2ens s THR 29 CO 0.02 -0.02 0.24 -0.76 -0.69 0.00 0.00 174.62 173.41 2ens s LEU 30 N 1.47 4.11 -0.18 4.42 1.02 0.11 -0.22 118.68 129.40 2ens s LEU 30 Ca 0.01 0.20 -0.00 0.00 0.02 0.00 0.00 54.13 54.37 2ens s LEU 30 Cb -0.18 -2.23 0.01 0.00 0.02 0.00 0.00 46.19 43.81 2ens s LEU 30 CO 0.03 -0.00 -0.16 -0.89 0.02 0.00 0.00 176.35 175.35 2ens s THR 31 N 1.30 2.47 -0.19 5.49 2.01 -0.18 -0.34 115.64 126.19 2ens s THR 31 Ca 0.11 -0.81 0.13 0.00 0.31 0.00 0.00 61.69 61.42 2ens s THR 31 Cb -0.14 -2.06 0.42 0.00 0.01 0.00 0.00 72.50 70.73 2ens s THR 31 CO 0.07 0.51 1.21 0.00 -0.69 0.00 0.00 174.62 175.72 2ens n GLU 33 N -0.95 -4.30 -3.72 0.00 0.28 -1.24 -4.84 120.64 105.88 2ens n GLU 33 Ca 0.18 -1.22 -0.12 0.00 -0.16 0.00 0.00 57.16 55.84 2ens n GLU 33 Cb 0.74 -1.55 -0.13 0.00 1.43 0.00 0.00 31.44 31.93 2ens n GLU 33 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2ens s VAL 34 N -1.96 -0.07 -0.02 3.84 1.01 -1.26 -4.52 120.40 117.43 2ens s VAL 34 Ca 0.55 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.44 2ens s VAL 34 Cb -0.09 -0.44 -0.18 0.00 0.00 0.00 0.00 36.38 35.67 2ens s VAL 34 CO 0.46 0.06 1.15 1.55 0.00 0.00 0.00 175.10 178.32 2ens h PRO 35 N 7.26 -0.18 0.11 2.72 0.13 -1.97 -3.39 132.00 136.67 2ens h PRO 35 Ca -0.38 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2ens h PRO 35 Cb 1.16 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ens h PRO 35 CO 0.34 0.24 -0.05 0.00 -0.23 0.00 0.00 178.00 178.30 2ens h ALA 36 N 0.07 -0.29 -2.82 -0.56 0.00 -1.97 -3.45 119.26 110.24 2ens h ALA 36 Ca -0.02 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.35 2ens h ALA 36 Cb 0.50 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.37 2ens h ALA 36 CO 0.03 -0.28 0.50 -1.14 0.00 0.00 0.00 179.25 178.36 2ens s GLN 37 N -1.99 4.60 0.19 0.00 2.00 -1.26 -4.99 119.66 118.20 2ens s GLN 37 Ca -0.02 1.87 -0.30 0.00 -2.00 0.00 0.00 55.36 54.91 2ens s GLN 37 Cb 0.00 -3.17 -0.09 0.00 0.80 0.00 0.00 33.01 30.55 2ens s GLN 37 CO 0.06 0.15 1.31 -1.25 -0.50 0.00 0.00 175.29 175.06 2ens s PRO 38 N -1.48 4.39 -0.24 1.67 0.04 -1.26 -4.32 135.00 133.81 2ens s PRO 38 Ca 0.45 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.51 2ens s PRO 38 Cb -0.33 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 2ens s PRO 38 CO 0.43 -0.26 0.52 0.43 0.04 0.00 0.00 177.00 178.16 2ens n SER 39 N 2.72 -0.37 -3.16 6.66 7.64 -1.26 -4.81 113.62 121.03 2ens n SER 39 Ca 0.06 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2ens n SER 39 Cb 0.43 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 1.35 0.29 -2.88 1.43 -0.04 -1.26 -4.92 135.00 128.97 2ens n PRO 40 Ca 0.16 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 2ens n PRO 40 Cb 0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 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 -1.05 3.37 -0.26 0.54 -1.52 -1.20 -4.83 119.66 114.71 2ens s GLN 41 Ca 0.00 -1.31 -0.13 0.00 -1.95 0.00 0.00 55.36 51.97 2ens s GLN 41 Cb 0.00 -4.63 -0.04 0.00 -0.22 0.00 0.00 33.01 28.12 2ens s GLN 41 CO 0.00 -1.81 0.26 0.42 -0.25 0.00 0.00 175.29 173.91 2ens s ILE 42 N 3.41 5.27 -0.17 1.08 1.09 -1.25 -3.30 121.20 127.34 2ens s ILE 42 Ca 0.28 0.36 -0.00 0.00 -1.10 0.00 0.00 60.65 60.19 2ens s ILE 42 Cb -0.10 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.70 2ens s ILE 42 CO -0.01 0.24 -0.15 -1.00 -0.10 0.00 0.00 174.94 173.93 2ens s HIS 43 N 1.64 2.80 -0.08 3.97 3.76 -0.78 -3.08 115.29 123.53 2ens s HIS 43 Ca 0.11 -1.12 -0.25 0.00 -0.15 0.00 0.00 55.06 53.65 2ens s HIS 43 Cb -0.15 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 2ens s HIS 43 CO 0.09 -0.53 0.76 -1.58 -0.85 0.00 0.00 174.74 172.63 2ens s TRP 44 N 0.96 3.56 0.33 1.40 0.52 -1.26 -1.43 118.94 123.01 2ens s TRP 44 Ca -0.02 1.31 0.04 0.00 0.02 0.00 0.00 56.10 57.45 2ens s TRP 44 Cb -0.15 -2.89 -0.06 0.00 -1.15 0.00 0.00 33.47 29.22 2ens s TRP 44 CO -0.02 0.01 0.04 -1.64 0.02 0.00 0.00 176.95 175.36 2ens s MET 45 N 1.09 1.67 -0.16 4.98 -1.94 -1.21 -3.26 119.30 120.47 2ens s MET 45 Ca 0.40 -1.92 -0.03 0.00 -1.71 0.00 0.00 55.69 52.42 2ens s MET 45 Cb -0.18 -0.98 0.05 0.00 2.01 0.00 0.00 34.83 35.73 2ens s MET 45 CO 0.18 -0.15 0.05 0.21 -0.01 0.00 0.00 175.02 175.30 2ens s LYS 46 N -3.85 0.44 -1.11 2.03 2.20 0.50 -3.90 119.74 116.04 2ens s LYS 46 Ca 0.36 -0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.74 2ens s LYS 46 Cb 0.08 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.61 2ens s LYS 46 CO 0.15 -0.59 0.94 -0.25 -0.36 0.00 0.00 175.35 175.25 2ens n ASP 47 N 5.14 -2.84 -2.87 1.43 8.00 -1.22 -2.70 116.55 121.49 2ens n ASP 47 Ca -0.08 -0.55 -0.19 0.00 0.71 0.00 0.00 54.79 54.68 2ens n ASP 47 Cb 0.48 -4.67 0.05 0.00 -0.02 0.00 0.00 41.12 36.97 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ens n GLY 48 N -1.27 -0.30 2.89 0.44 0.00 -1.26 -5.01 105.19 100.68 2ens n GLY 48 Ca -0.21 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.19 -0.12 0.11 1.61 1.01 -1.10 -5.14 120.40 113.58 2ens s VAL 49 Ca 0.40 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 2ens s VAL 49 Cb -0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 2ens s VAL 49 CO 0.50 0.10 1.37 -2.16 0.00 0.00 0.00 175.10 174.90 2ens s PRO 50 N 1.57 4.33 0.10 2.72 0.04 -1.26 -0.37 135.00 142.12 2ens s PRO 50 Ca -0.05 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2ens s PRO 50 Cb -0.12 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2ens s PRO 50 CO -0.06 -0.42 0.12 -0.51 0.04 0.00 0.00 177.00 176.18 2ens s LEU 51 N 1.10 3.91 -0.89 -3.56 1.43 -1.20 -4.93 118.68 114.53 2ens s LEU 51 Ca 0.64 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.51 2ens s LEU 51 Cb -0.36 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2ens s LEU 51 CO 0.30 0.15 1.94 -2.16 0.23 0.00 0.00 176.35 176.81 2ens s PRO 52 N -2.58 2.56 0.01 1.29 0.04 -1.26 -4.89 135.00 130.17 2ens s PRO 52 Ca 0.31 -0.26 -0.26 0.00 0.04 0.00 0.00 61.00 60.83 2ens s PRO 52 Cb -0.12 -5.04 0.06 0.00 0.04 0.00 0.00 34.50 29.44 2ens s PRO 52 CO 0.23 -3.35 0.58 -0.51 0.04 0.00 0.00 177.00 173.99 2ens s LEU 53 N 10.04 -0.32 0.28 -3.56 1.43 -1.26 -5.15 118.68 120.14 2ens s LEU 53 Ca 0.70 0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 53.89 2ens s LEU 53 Cb -0.07 2.30 -0.10 0.00 0.03 0.00 0.00 46.19 48.35 2ens s LEU 53 CO 0.00 -0.68 1.25 -2.16 0.23 0.00 0.00 176.35 174.99 2ens s PRO 54 N -1.97 4.45 -0.74 1.29 0.04 -1.26 -4.92 135.00 131.90 2ens s PRO 54 Ca -0.08 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 2ens s PRO 54 Cb -0.01 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 2ens s PRO 54 CO 0.02 -0.09 1.90 -1.25 0.04 0.00 0.00 177.00 177.62 2ens s PRO 55 N -1.24 2.60 0.02 0.56 0.04 -1.26 -4.90 135.00 130.82 2ens s PRO 55 Ca 0.50 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.80 2ens s PRO 55 Cb -0.37 -4.67 -0.02 0.00 0.04 0.00 0.00 34.50 29.48 2ens s PRO 55 CO 0.46 -3.01 -0.11 0.45 0.04 0.00 0.00 177.00 174.83 2ens s SER 56 N 8.07 1.24 0.00 6.66 0.15 -1.18 -4.63 113.70 124.02 2ens s SER 56 Ca 0.68 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 57.06 2ens s SER 56 Cb -0.10 -0.08 0.58 0.00 -1.71 0.00 0.00 66.02 64.71 2ens s SER 56 CO 0.12 0.01 1.02 -0.81 1.20 0.00 0.00 173.24 174.77 2ens n PRO 57 N 2.15 0.49 -3.68 5.44 -0.04 -1.26 -4.48 135.00 133.62 2ens n PRO 57 Ca -0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2ens n PRO 57 Cb 0.56 -1.31 -0.17 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.06 -0.07 0.52 1.01 -1.26 -1.14 120.40 117.51 2ens s VAL 58 Ca 0.15 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2ens s VAL 58 Cb 0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2ens s VAL 58 CO 0.11 0.03 -0.19 -0.22 0.00 0.00 0.00 175.10 174.83 2ens s LEU 59 N 2.09 2.41 -0.18 3.92 2.96 0.54 -4.97 118.68 125.44 2ens s LEU 59 Ca 0.04 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2ens s LEU 59 Cb -0.14 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.11 2ens s LEU 59 CO -0.06 0.26 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.50 2ens s ILE 60 N -0.25 1.54 -0.90 6.68 1.01 -1.26 0.08 121.20 128.10 2ens s ILE 60 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2ens s ILE 60 Cb -0.13 -1.58 0.24 0.00 0.01 0.00 0.00 42.46 41.00 2ens s ILE 60 CO 0.03 0.24 0.92 -0.11 0.00 0.00 0.00 174.94 176.02 2ens n LEU 61 N 4.74 4.58 -4.77 2.97 0.00 -0.48 -4.98 117.00 119.05 2ens n LEU 61 Ca -0.15 -5.20 -0.34 0.00 0.00 0.00 0.00 56.01 50.33 2ens n LEU 61 Cb 0.48 -1.07 0.03 0.00 0.00 0.00 0.00 43.42 42.85 2ens n LEU 61 CO 0.20 1.66 0.76 -2.16 0.00 0.00 0.00 177.39 177.85 2ens s PRO 62 N -1.81 3.03 -0.92 1.96 0.04 -1.26 -3.19 135.00 132.85 2ens s PRO 62 Ca 0.30 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2ens s PRO 62 Cb -0.01 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2ens s PRO 62 CO -0.07 -1.09 0.78 0.39 0.04 0.00 0.00 177.00 177.06 2ens n GLU 63 N -1.96 -3.68 -2.79 4.56 1.02 0.18 -4.94 120.64 113.04 2ens n GLU 63 Ca 0.11 0.70 -0.38 0.00 -0.02 0.00 0.00 57.16 57.57 2ens n GLU 63 Cb 0.52 -5.15 -0.06 0.00 -0.02 0.00 0.00 31.44 26.73 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 -3.31 4.18 0.00 -3.67 1.01 -0.56 -4.82 121.20 114.04 2ens s ILE 64 Ca 0.18 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.72 2ens s ILE 64 Cb -0.02 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2ens s ILE 64 CO 0.60 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.41 2ens n GLY 65 N 0.87 5.52 0.25 6.18 0.00 -1.26 0.23 105.19 116.97 2ens n GLY 65 Ca 0.00 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 0.76 0.00 1.61 0.13 -1.96 -2.82 132.00 129.71 2ens h PRO 66 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ens h PRO 66 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2ens h PRO 66 CO 0.00 1.02 0.00 -0.56 -0.23 0.00 0.00 178.00 178.23 2ens h GLN 67 N 0.62 0.00 0.04 0.86 -0.00 -2.01 -2.87 115.11 111.75 2ens h GLN 67 Ca 0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.43 2ens h GLN 67 Cb 0.96 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.41 2ens h GLN 67 CO 0.09 0.00 -1.37 -0.44 -0.00 0.00 0.00 178.83 177.11 2ens h ASP 68 N 0.00 0.13 -1.15 0.06 5.19 -1.90 -3.46 116.42 115.29 2ens h ASP 68 Ca 0.00 -0.17 -0.72 0.00 -0.62 0.00 0.00 57.03 55.52 2ens h ASP 68 Cb 0.48 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2ens h ASP 68 CO 0.00 1.15 1.15 0.00 -3.12 0.00 0.00 179.24 178.42 2ens n GLN 69 N -3.30 0.96 -0.34 3.56 6.02 -1.08 -4.80 117.38 118.38 2ens n GLN 69 Ca -0.10 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2ens n GLN 69 Cb 1.00 -2.15 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 5.54 1.28 3.83 1.08 0.00 -1.08 -4.96 105.19 110.88 2ens n GLY 70 Ca 0.36 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.30 5.40 -0.08 2.61 -4.23 -1.26 -0.00 115.64 115.78 2ens s THR 71 Ca 0.00 0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.83 2ens s THR 71 Cb 0.00 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.39 2ens s THR 71 CO 0.00 0.55 0.02 -0.31 -0.54 0.00 0.00 174.62 174.34 2ens s TYR 72 N -0.59 0.56 0.04 3.99 1.51 0.95 -3.39 117.35 120.42 2ens s TYR 72 Ca 0.15 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.11 2ens s TYR 72 Cb -0.13 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 2ens s TYR 72 CO 0.04 -0.33 -0.14 0.45 -1.11 0.00 0.00 175.55 174.45 2ens s SER 73 N 2.01 1.70 -0.30 2.29 0.15 -1.25 -1.88 113.70 116.42 2ens s SER 73 Ca 0.04 -0.47 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 2ens s SER 73 Cb -0.13 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 2ens s SER 73 CO -0.05 0.03 0.39 0.00 1.20 0.00 0.00 173.24 174.81 2ens s VAL 75 N 2.11 4.64 -0.00 0.00 1.01 -0.52 -2.23 120.40 125.41 2ens s VAL 75 Ca 0.15 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 2ens s VAL 75 Cb -0.16 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.40 2ens s VAL 75 CO 0.11 -1.51 0.28 0.00 0.00 0.00 0.00 175.10 173.98 2ens s ALA 76 N 2.96 3.82 0.08 5.51 0.00 -1.26 -1.87 121.76 131.01 2ens s ALA 76 Ca 0.31 -0.52 -0.18 0.00 0.00 0.00 0.00 51.96 51.57 2ens s ALA 76 Cb -0.07 -2.11 0.04 0.00 0.00 0.00 0.00 23.12 20.98 2ens s ALA 76 CO -0.07 0.62 0.43 -0.08 0.00 0.00 0.00 175.76 176.66 2ens s THR 77 N -1.25 0.06 0.38 0.00 -1.32 -1.21 -0.48 115.64 111.82 2ens s THR 77 Ca 0.26 -0.45 -0.15 0.00 -1.21 0.00 0.00 61.69 60.14 2ens s THR 77 Cb -0.14 -1.04 0.06 0.00 -1.51 0.00 0.00 72.50 69.87 2ens s THR 77 CO 0.14 -0.25 0.78 0.00 -2.21 0.00 0.00 174.62 173.09 2ens n HIS 78 N 0.17 -2.32 0.05 9.09 1.44 -0.03 -3.25 115.22 120.37 2ens n HIS 78 Ca -0.17 -1.81 -0.11 0.00 -2.01 0.00 0.00 57.72 53.61 2ens n HIS 78 Cb 0.62 0.91 -0.07 0.00 0.12 0.00 0.00 29.99 31.56 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 1.94 -1.17 -0.01 4.39 0.02 -2.03 -3.08 113.55 113.61 2ens h SER 79 Ca -0.33 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2ens h SER 79 Cb 1.21 0.44 -0.00 0.00 0.14 0.00 0.00 62.40 64.19 2ens h SER 79 CO 0.42 -0.38 -0.01 0.28 -1.14 0.00 0.00 176.83 176.00 2ens h SER 80 N -0.50 -0.03 -3.84 3.07 0.02 -2.06 -3.40 113.55 106.81 2ens h SER 80 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 2ens h SER 80 Cb 0.52 0.01 -0.30 0.00 0.14 0.00 0.00 62.40 62.78 2ens h SER 80 CO -0.24 -0.00 -0.85 -1.00 -1.14 0.00 0.00 176.83 173.59 2ens s HIS 81 N -3.04 2.54 0.00 3.45 4.02 -1.17 -5.12 115.29 115.98 2ens s HIS 81 Ca -0.00 -0.68 0.00 0.00 1.02 0.00 0.00 55.06 55.40 2ens s HIS 81 Cb 0.00 -1.65 0.00 0.00 -1.02 0.00 0.00 32.58 29.91 2ens s HIS 81 CO 0.01 -0.19 0.00 0.41 1.02 0.00 0.00 174.74 175.99 2ens n GLY 82 N 3.01 -2.26 3.68 -2.22 0.00 -1.23 -0.85 105.19 105.32 2ens n GLY 82 Ca -0.18 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 4.24 -0.25 1.61 0.04 -1.26 -3.41 135.00 135.96 2ens s PRO 83 Ca 0.00 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.18 2ens s PRO 83 Cb 0.00 -3.71 0.46 0.00 0.04 0.00 0.00 34.50 31.29 2ens s PRO 83 CO 0.00 -0.68 1.18 0.94 0.04 0.00 0.00 177.00 178.48 2ens n GLN 84 N 6.04 2.61 -1.24 4.56 -0.06 0.37 -5.00 117.38 124.66 2ens n GLN 84 Ca 0.15 -3.73 -0.48 0.00 -2.00 0.00 0.00 57.00 50.93 2ens n GLN 84 Cb 0.43 -1.87 -0.07 0.00 -4.06 0.00 0.00 30.24 24.68 2ens n GLN 84 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2ens n GLU 85 N -0.68 0.00 -1.71 3.69 2.13 -1.26 -4.42 120.64 118.39 2ens n GLU 85 Ca 0.29 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.82 2ens n GLU 85 Cb 0.90 -1.09 0.15 0.00 0.27 0.00 0.00 31.44 31.67 2ens n GLU 85 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2ens s SER 86 N 1.86 3.45 1.05 4.31 0.01 -0.95 -4.99 113.70 118.45 2ens s SER 86 Ca 0.75 0.68 -0.15 0.00 1.31 0.00 0.00 55.95 58.53 2ens s SER 86 Cb -1.06 -1.05 0.16 0.00 0.21 0.00 0.00 66.02 64.28 2ens s SER 86 CO 0.57 -2.56 0.25 0.54 0.41 0.00 0.00 173.24 172.45 2ens n ARG 87 N -3.73 -2.25 -3.79 12.44 1.74 -1.26 -4.66 116.66 115.16 2ens n ARG 87 Ca 0.10 -0.66 -0.36 0.00 -0.77 0.00 0.00 57.85 56.16 2ens n ARG 87 Cb 0.60 -1.53 -0.11 0.00 -1.02 0.00 0.00 32.46 30.41 2ens n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ens s ALA 88 N -2.10 3.42 -0.36 7.54 0.00 -1.26 -4.46 121.76 124.53 2ens s ALA 88 Ca 0.42 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 2ens s ALA 88 Cb -0.07 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 2ens s ALA 88 CO 0.42 -0.20 0.28 0.08 0.00 0.00 0.00 175.76 176.34 2ens s VAL 89 N 1.08 5.26 -0.63 0.00 1.01 -0.79 -4.87 120.40 121.45 2ens s VAL 89 Ca 0.06 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 2ens s VAL 89 Cb -0.14 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.51 2ens s VAL 89 CO 0.04 -0.11 0.96 -0.44 0.00 0.00 0.00 175.10 175.55 2ens s SER 90 N 1.72 6.21 -0.47 3.32 0.01 -1.26 -0.03 113.70 123.20 2ens s SER 90 Ca 0.07 -0.81 -0.29 0.00 1.31 0.00 0.00 55.95 56.23 2ens s SER 90 Cb -0.18 -2.43 0.03 0.00 0.21 0.00 0.00 66.02 63.66 2ens s SER 90 CO 0.11 -1.39 1.12 -0.63 0.41 0.00 0.00 173.24 172.85 2ens s ILE 91 N 4.08 4.24 0.42 1.44 -1.09 1.00 -4.79 121.20 126.49 2ens s ILE 91 Ca 0.24 1.20 0.07 0.00 -2.23 0.00 0.00 60.65 59.94 2ens s ILE 91 Cb -0.15 -4.59 -0.04 0.00 -1.58 0.00 0.00 42.46 36.10 2ens s ILE 91 CO 0.13 -0.98 0.24 -0.94 -1.23 0.00 0.00 174.94 172.16 2ens s SER 92 N 2.42 4.60 -0.10 3.58 1.04 -1.04 -2.62 113.70 121.57 2ens s SER 92 Ca 0.47 -1.00 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2ens s SER 92 Cb -0.07 -0.48 -0.03 0.00 0.10 0.00 0.00 66.02 65.54 2ens s SER 92 CO 0.31 -0.59 0.00 -0.63 0.98 0.00 0.00 173.24 173.31 2ens s ILE 93 N -2.57 4.30 -0.02 -1.02 1.01 -1.26 -2.12 121.20 119.52 2ens s ILE 93 Ca 0.43 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 2ens s ILE 93 Cb 0.02 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2ens s ILE 93 CO 0.24 0.58 0.44 -0.63 0.00 0.00 0.00 174.94 175.57 2ens s ILE 94 N -0.59 5.03 -0.04 2.92 1.01 -0.90 -4.86 121.20 123.77 2ens s ILE 94 Ca 0.10 0.90 0.04 0.00 0.00 0.00 0.00 60.65 61.69 2ens s ILE 94 Cb -0.12 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2ens s ILE 94 CO 0.02 0.52 -0.13 -1.61 0.00 0.00 0.00 174.94 173.73 2ens s GLU 95 N -0.66 2.48 0.00 2.79 2.02 -1.26 -4.43 118.70 119.64 2ens s GLU 95 Ca 0.25 -0.71 0.16 0.00 0.02 0.00 0.00 54.97 54.68 2ens s GLU 95 Cb -0.17 -2.39 0.93 0.00 0.10 0.00 0.00 34.13 32.60 2ens s GLU 95 CO 0.13 0.62 1.34 -0.35 0.02 0.00 0.00 175.26 177.02