#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 6.57 0.12 1.61 1.04 -1.26 -5.00 113.70 116.79 2ens s SER 2 Ca 0.00 1.24 -0.18 0.00 0.48 0.00 0.00 55.95 57.49 2ens s SER 2 Cb 0.00 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 2ens s SER 2 CO 0.00 -0.42 1.71 0.77 0.98 0.00 0.00 173.24 176.28 2ens h SER 3 N 1.30 0.37 0.00 7.02 4.64 -2.09 -3.46 113.55 121.33 2ens h SER 3 Ca -0.47 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2ens h SER 3 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2ens h SER 3 CO 0.63 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.57 2ens n GLY 4 N -0.91 -1.00 0.07 -0.77 0.00 -1.26 -5.10 105.19 96.21 2ens n GLY 4 Ca -0.02 0.39 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 2ens n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ens n SER 5 N 0.00 1.60 0.14 1.61 7.64 -1.26 -4.65 113.62 118.70 2ens n SER 5 Ca 0.00 0.39 -0.15 0.00 1.01 0.00 0.00 58.87 60.12 2ens n SER 5 Cb 0.00 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 2ens n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2ens h SER 6 N -0.84 -1.25 0.00 6.43 0.87 -2.00 -3.44 113.55 113.31 2ens h SER 6 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2ens h SER 6 Cb 0.69 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2ens h SER 6 CO 0.00 -0.51 0.00 0.61 -0.53 0.00 0.00 176.83 176.40 2ens n GLY 7 N -1.48 0.49 2.96 5.77 0.00 -1.26 -4.53 105.19 107.14 2ens n GLY 7 Ca -0.08 0.58 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 2ens n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ens s LEU 8 N 0.00 2.02 -1.29 0.99 1.02 -1.26 -5.07 118.68 115.08 2ens s LEU 8 Ca 0.00 -0.11 -0.17 0.00 0.02 0.00 0.00 54.13 53.88 2ens s LEU 8 Cb 0.00 -0.27 0.09 0.00 0.02 0.00 0.00 46.19 46.03 2ens s LEU 8 CO 0.00 0.06 1.71 -0.62 0.02 0.00 0.00 176.35 177.52 2ens n GLU 9 N 2.92 3.22 -0.15 1.70 -0.58 -1.26 -4.83 120.64 121.66 2ens n GLU 9 Ca -0.13 -3.36 -0.10 0.00 -0.42 0.00 0.00 57.16 53.15 2ens n GLU 9 Cb 0.58 -3.38 -0.05 0.00 -0.57 0.00 0.00 31.44 28.02 2ens n GLU 9 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2ens h GLU 10 N 7.33 -0.30 -3.99 3.49 4.81 -1.98 -3.43 114.58 120.52 2ens h GLU 10 Ca 0.43 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.58 2ens h GLU 10 Cb 0.85 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.16 2ens h GLU 10 CO 1.45 -0.20 -0.49 0.54 -0.73 0.00 0.00 179.01 179.57 2ens s VAL 11 N -5.82 0.17 -0.63 0.32 0.11 -1.26 -4.80 120.40 108.49 2ens s VAL 11 Ca -0.14 -1.44 0.05 0.00 -2.93 0.00 0.00 61.98 57.52 2ens s VAL 11 Cb 0.12 -1.43 0.19 0.00 -1.53 0.00 0.00 36.38 33.73 2ens s VAL 11 CO 0.65 -0.78 0.52 1.67 -3.33 0.00 0.00 175.10 173.83 2ens n GLN 12 N 0.00 1.66 -3.51 1.54 -0.06 -1.11 -5.04 117.38 110.87 2ens n GLN 12 Ca -0.14 -4.26 -0.42 0.00 -2.00 0.00 0.00 57.00 50.18 2ens n GLN 12 Cb 0.62 -2.13 -0.09 0.00 -4.06 0.00 0.00 30.24 24.57 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 -1.41 5.23 -0.26 1.69 2.96 -1.26 -1.81 118.68 123.81 2ens s LEU 13 Ca 0.30 -1.26 -0.00 0.00 -0.22 0.00 0.00 54.13 52.94 2ens s LEU 13 Cb 0.02 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.66 2ens s LEU 13 CO -0.14 -0.54 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.59 2ens s VAL 14 N 1.56 2.64 0.52 1.68 1.01 0.07 -5.00 120.40 122.88 2ens s VAL 14 Ca 0.03 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.69 2ens s VAL 14 Cb -0.22 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2ens s VAL 14 CO 0.06 0.09 0.82 0.68 0.00 0.00 0.00 175.10 176.74 2ens s VAL 15 N 1.24 4.18 -0.12 2.92 -7.23 -1.26 -1.46 120.40 118.68 2ens s VAL 15 Ca -0.03 -0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 60.08 2ens s VAL 15 Cb -0.18 -3.61 0.05 0.00 0.56 0.00 0.00 36.38 33.19 2ens s VAL 15 CO -0.04 -0.58 0.07 -0.70 -0.31 0.00 0.00 175.10 173.53 2ens s GLU 16 N -4.82 0.12 0.84 4.82 2.56 -0.28 -2.32 118.70 119.62 2ens s GLU 16 Ca 0.50 0.07 -0.11 0.00 0.00 0.00 0.00 54.97 55.43 2ens s GLU 16 Cb -0.10 -1.30 0.09 0.00 2.00 0.00 0.00 34.13 34.82 2ens s GLU 16 CO 0.44 -0.51 1.09 -1.25 -0.56 0.00 0.00 175.26 174.47 2ens s PRO 17 N 2.11 1.74 0.44 4.30 0.04 -1.26 -2.06 135.00 140.30 2ens s PRO 17 Ca 0.03 0.99 0.13 0.00 0.04 0.00 0.00 61.00 62.19 2ens s PRO 17 Cb -0.14 -1.85 1.02 0.00 0.04 0.00 0.00 34.50 33.57 2ens s PRO 17 CO -0.06 -1.95 2.00 1.05 0.04 0.00 0.00 177.00 178.08 2ens h GLU 18 N -1.35 0.39 -0.94 4.56 9.09 -1.86 -1.83 114.58 122.64 2ens h GLU 18 Ca -0.47 -0.02 0.11 0.00 0.05 0.00 0.00 59.36 59.03 2ens h GLU 18 Cb 1.26 -0.09 -0.08 0.00 -1.65 0.00 0.00 28.75 28.19 2ens h GLU 18 CO 0.53 0.26 0.57 0.78 0.05 0.00 0.00 179.01 181.20 2ens h GLY 19 N 0.41 1.51 -0.03 1.06 0.00 -1.97 -3.45 103.07 100.61 2ens h GLY 19 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2ens h GLY 19 CO -0.06 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.23 2ens n GLY 20 N -1.34 1.29 3.20 4.60 0.00 -0.69 -5.07 105.19 107.19 2ens n GLY 20 Ca 0.17 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.03 -0.81 0.05 4.61 0.00 -1.26 -3.22 121.76 119.10 2ens s ALA 21 Ca 0.00 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.95 2ens s ALA 21 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2ens s ALA 21 CO 0.00 -0.18 0.07 0.14 0.00 0.00 0.00 175.76 175.79 2ens s VAL 22 N 0.54 0.16 1.03 0.00 -7.23 -1.02 -4.74 120.40 109.13 2ens s VAL 22 Ca -0.03 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2ens s VAL 22 Cb -0.05 -1.19 0.21 0.00 0.56 0.00 0.00 36.38 35.91 2ens s VAL 22 CO -0.03 -0.74 1.09 0.00 -0.31 0.00 0.00 175.10 175.11 2ens n ALA 23 N 0.37 -1.68 -2.06 1.32 0.00 -1.26 -1.83 120.51 115.38 2ens n ALA 23 Ca -0.17 -0.81 -0.28 0.00 0.00 0.00 0.00 53.44 52.18 2ens n ALA 23 Cb 0.60 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 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 -4.54 2.52 0.00 0.00 0.04 -1.26 -2.53 135.00 129.23 2ens s PRO 24 Ca 0.68 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2ens s PRO 24 Cb -0.24 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.12 2ens s PRO 24 CO 0.61 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 174.28 2ens n GLY 25 N 6.16 1.00 0.00 0.56 0.00 0.17 -4.93 105.19 108.15 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 1.75 2.76 -0.02 0.00 -1.05 -4.53 105.19 104.10 2ens n GLY 26 Ca 0.00 -1.95 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 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 2.22 -0.27 0.00 2.61 2.01 -1.26 -0.15 115.64 120.81 2ens s THR 27 Ca 0.00 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.99 2ens s THR 27 Cb 0.00 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2ens s THR 27 CO 0.00 -0.10 0.23 -0.69 -0.69 0.00 0.00 174.62 173.37 2ens s VAL 28 N 2.29 5.37 -0.19 3.82 1.01 -1.15 -4.84 120.40 126.70 2ens s VAL 28 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2ens s VAL 28 Cb -0.14 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2ens s VAL 28 CO -0.09 0.34 -0.09 -0.89 0.00 0.00 0.00 175.10 174.36 2ens s THR 29 N -1.32 1.53 -0.33 3.92 2.01 -0.88 -0.12 115.64 120.45 2ens s THR 29 Ca 0.28 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 2ens s THR 29 Cb -0.13 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 2ens s THR 29 CO 0.17 0.17 0.23 -0.76 -0.69 0.00 0.00 174.62 173.75 2ens s LEU 30 N 1.45 4.45 -0.17 4.42 1.02 0.54 -1.12 118.68 129.26 2ens s LEU 30 Ca -0.01 -0.36 -0.05 0.00 0.02 0.00 0.00 54.13 53.74 2ens s LEU 30 Cb -0.16 -2.14 -0.03 0.00 0.02 0.00 0.00 46.19 43.88 2ens s LEU 30 CO -0.08 -0.21 0.00 -0.89 0.02 0.00 0.00 176.35 175.19 2ens s THR 31 N 1.73 4.20 -0.03 5.49 2.01 -0.53 -0.76 115.64 127.74 2ens s THR 31 Ca 0.06 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.85 2ens s THR 31 Cb -0.17 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2ens s THR 31 CO 0.11 0.47 -0.12 0.00 -0.69 0.00 0.00 174.62 174.38 2ens s GLU 33 N 0.15 0.58 -0.02 0.00 0.41 -0.75 -4.60 118.70 114.46 2ens s GLU 33 Ca -0.04 -1.10 0.06 0.00 -0.41 0.00 0.00 54.97 53.48 2ens s GLU 33 Cb -0.10 0.13 -0.01 0.00 -1.78 0.00 0.00 34.13 32.36 2ens s GLU 33 CO 0.01 -0.08 -0.20 0.08 -0.49 0.00 0.00 175.26 174.58 2ens s VAL 34 N -3.33 1.58 -0.02 2.63 1.01 -1.25 -2.74 120.40 118.27 2ens s VAL 34 Ca 0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 2ens s VAL 34 Cb 0.04 -1.32 -0.19 0.00 0.00 0.00 0.00 36.38 34.90 2ens s VAL 34 CO -0.07 0.45 1.23 1.55 0.00 0.00 0.00 175.10 178.25 2ens h PRO 35 N 5.81 -0.06 0.16 2.72 0.13 -1.87 -3.35 132.00 135.53 2ens h PRO 35 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2ens h PRO 35 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ens h PRO 35 CO 0.48 0.40 -0.07 0.00 -0.23 0.00 0.00 178.00 178.58 2ens h ALA 36 N 0.36 -0.21 -2.83 -0.56 0.00 -1.95 -3.43 119.26 110.64 2ens h ALA 36 Ca -0.01 -0.22 -0.59 0.00 0.00 0.00 0.00 54.91 54.09 2ens h ALA 36 Cb 0.49 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2ens h ALA 36 CO 0.01 -0.36 -0.14 -0.65 0.00 0.00 0.00 179.25 178.11 2ens s GLN 37 N -4.03 4.22 -0.02 0.00 1.11 -1.26 -4.99 119.66 114.69 2ens s GLN 37 Ca -0.14 0.32 -0.25 0.00 0.01 0.00 0.00 55.36 55.30 2ens s GLN 37 Cb 0.01 -3.52 -0.19 0.00 -1.01 0.00 0.00 33.01 28.30 2ens s GLN 37 CO 0.56 -0.02 1.22 -1.00 0.01 0.00 0.00 175.29 176.05 2ens h PRO 38 N 7.23 -0.07 -2.06 2.91 0.13 -1.84 -3.33 132.00 134.97 2ens h PRO 38 Ca -0.37 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.24 2ens h PRO 38 Cb 1.16 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2ens h PRO 38 CO 0.74 0.40 -1.03 0.45 -0.23 0.00 0.00 178.00 178.32 2ens n SER 39 N -4.89 1.51 -3.90 1.44 2.88 -1.26 -4.71 113.62 104.68 2ens n SER 39 Ca -0.08 -3.08 -0.30 0.00 -1.33 0.00 0.00 58.87 54.08 2ens n SER 39 Cb 0.25 -0.62 0.23 0.00 -0.75 0.00 0.00 64.21 63.33 2ens n SER 39 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ens s PRO 40 N -2.28 -1.06 -0.86 -1.46 0.04 -1.26 -4.92 135.00 123.20 2ens s PRO 40 Ca 0.40 -0.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.18 2ens s PRO 40 Cb 0.28 -1.61 0.03 0.00 0.04 0.00 0.00 34.50 33.24 2ens s PRO 40 CO -0.09 -3.61 1.42 -0.65 0.04 0.00 0.00 177.00 174.11 2ens s GLN 41 N -5.36 3.29 -0.12 4.56 -0.21 -1.26 -4.93 119.66 115.63 2ens s GLN 41 Ca 0.70 -0.56 -0.29 0.00 0.02 0.00 0.00 55.36 55.23 2ens s GLN 41 Cb -0.11 -4.74 -0.01 0.00 1.00 0.00 0.00 33.01 29.16 2ens s GLN 41 CO 0.56 -2.28 1.03 0.42 -2.12 0.00 0.00 175.29 172.91 2ens s ILE 42 N 5.85 4.71 0.41 1.08 -1.09 -1.26 -3.57 121.20 127.34 2ens s ILE 42 Ca 0.43 2.00 0.07 0.00 -2.23 0.00 0.00 60.65 60.92 2ens s ILE 42 Cb -0.05 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.49 2ens s ILE 42 CO 0.04 -0.03 0.16 -1.00 -1.23 0.00 0.00 174.94 172.88 2ens s HIS 43 N 2.26 2.59 -0.05 3.97 3.76 0.15 -2.90 115.29 125.07 2ens s HIS 43 Ca 0.48 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.77 2ens s HIS 43 Cb -0.18 -1.94 0.04 0.00 1.11 0.00 0.00 32.58 31.60 2ens s HIS 43 CO 0.16 0.22 0.09 -1.58 -0.85 0.00 0.00 174.74 172.77 2ens s TRP 44 N -2.62 -0.02 0.03 1.40 0.52 -1.26 -2.54 118.94 114.45 2ens s TRP 44 Ca 0.40 0.35 0.08 0.00 0.02 0.00 0.00 56.10 56.95 2ens s TRP 44 Cb 0.05 -0.36 -0.02 0.00 -1.15 0.00 0.00 33.47 31.98 2ens s TRP 44 CO 0.22 -0.20 -0.24 -1.64 0.02 0.00 0.00 176.95 175.11 2ens s MET 45 N 1.99 1.72 -0.38 4.98 -1.94 -1.19 -3.83 119.30 120.64 2ens s MET 45 Ca 0.02 -1.00 0.04 0.00 -1.71 0.00 0.00 55.69 53.04 2ens s MET 45 Cb -0.12 -1.82 0.11 0.00 2.01 0.00 0.00 34.83 35.01 2ens s MET 45 CO -0.04 0.48 0.11 0.21 -0.01 0.00 0.00 175.02 175.77 2ens s LYS 46 N -1.04 1.52 -0.36 2.03 2.20 -0.81 -3.21 119.74 120.07 2ens s LYS 46 Ca 0.10 -1.99 -0.02 0.00 -0.36 0.00 0.00 55.97 53.70 2ens s LYS 46 Cb -0.09 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2ens s LYS 46 CO 0.01 -0.99 0.27 -3.47 -0.36 0.00 0.00 175.35 170.81 2ens n ASP 47 N 4.01 -3.02 -2.04 1.43 2.03 -1.20 -3.57 116.55 114.20 2ens n ASP 47 Ca 0.04 -0.12 -0.13 0.00 0.52 0.00 0.00 54.79 55.09 2ens n ASP 47 Cb 0.39 -1.64 0.03 0.00 -0.72 0.00 0.00 41.12 39.18 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 -0.90 0.04 2.88 0.27 0.00 -1.26 -5.03 105.19 101.19 2ens n GLY 48 Ca -0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2ens n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ens s VAL 49 N -3.03 -0.16 0.19 1.61 0.11 -1.23 -5.14 120.40 112.74 2ens s VAL 49 Ca 0.25 0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 59.27 2ens s VAL 49 Cb -0.11 -0.27 -0.09 0.00 -1.53 0.00 0.00 36.38 34.39 2ens s VAL 49 CO 0.31 0.11 1.31 -2.16 -3.33 0.00 0.00 175.10 171.34 2ens s PRO 50 N 1.74 4.39 -0.01 1.54 0.04 -1.26 -1.92 135.00 139.51 2ens s PRO 50 Ca -0.03 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2ens s PRO 50 Cb -0.12 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2ens s PRO 50 CO -0.06 -0.27 -0.03 -0.51 0.04 0.00 0.00 177.00 176.17 2ens s LEU 51 N 0.04 3.35 -0.99 -3.56 1.43 -1.25 -4.98 118.68 112.72 2ens s LEU 51 Ca 0.57 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2ens s LEU 51 Cb -0.36 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 2ens s LEU 51 CO 0.37 0.30 1.94 -2.16 0.23 0.00 0.00 176.35 177.03 2ens s PRO 52 N -1.38 2.54 0.02 1.29 0.04 -1.26 -4.88 135.00 131.37 2ens s PRO 52 Ca 0.17 -0.57 -0.22 0.00 0.04 0.00 0.00 61.00 60.43 2ens s PRO 52 Cb -0.11 -5.12 0.05 0.00 0.04 0.00 0.00 34.50 29.35 2ens s PRO 52 CO 0.08 -3.57 0.49 -0.51 0.04 0.00 0.00 177.00 173.53 2ens s LEU 53 N 10.37 0.09 0.27 -3.56 1.43 -1.26 -5.15 118.68 120.86 2ens s LEU 53 Ca 0.69 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.73 2ens s LEU 53 Cb -0.05 1.97 -0.10 0.00 0.03 0.00 0.00 46.19 48.04 2ens s LEU 53 CO 0.04 -0.64 1.25 -2.16 0.23 0.00 0.00 176.35 175.07 2ens s PRO 54 N -2.01 4.44 0.18 1.29 0.04 -1.26 -4.99 135.00 132.70 2ens s PRO 54 Ca -0.08 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 2ens s PRO 54 Cb -0.01 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 2ens s PRO 54 CO 0.01 -0.11 1.31 -1.25 0.04 0.00 0.00 177.00 177.01 2ens s PRO 55 N -1.13 4.38 -0.21 0.56 0.04 -1.26 -5.01 135.00 132.37 2ens s PRO 55 Ca 0.50 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.32 2ens s PRO 55 Cb -0.37 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.07 2ens s PRO 55 CO 0.45 -0.27 0.89 0.45 0.04 0.00 0.00 177.00 178.55 2ens s SER 56 N 0.44 -0.54 0.00 6.66 0.15 -1.14 -4.84 113.70 114.43 2ens s SER 56 Ca 0.58 0.88 0.14 0.00 0.70 0.00 0.00 55.95 58.24 2ens s SER 56 Cb -0.36 0.83 0.84 0.00 -1.71 0.00 0.00 66.02 65.62 2ens s SER 56 CO 0.37 -0.30 1.26 -0.81 1.20 0.00 0.00 173.24 174.96 2ens n PRO 57 N 1.76 0.49 -3.57 5.44 -0.04 -1.26 -4.35 135.00 133.46 2ens n PRO 57 Ca -0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.05 2ens n PRO 57 Cb 0.56 -1.45 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.08 -0.23 0.52 1.01 -1.25 -0.26 120.40 118.10 2ens s VAL 58 Ca 0.21 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2ens s VAL 58 Cb 0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2ens s VAL 58 CO 0.16 -0.50 0.08 -0.22 0.00 0.00 0.00 175.10 174.63 2ens s LEU 59 N 2.12 3.63 -0.28 3.92 2.96 0.06 -4.92 118.68 126.17 2ens s LEU 59 Ca 0.05 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.78 2ens s LEU 59 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2ens s LEU 59 CO -0.23 0.02 0.13 -0.63 -1.32 0.00 0.00 176.35 174.33 2ens s ILE 60 N 1.27 4.61 -0.94 6.68 1.09 -1.26 -0.34 121.20 132.32 2ens s ILE 60 Ca 0.05 -0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.37 2ens s ILE 60 Cb -0.15 -3.25 0.28 0.00 -1.06 0.00 0.00 42.46 38.29 2ens s ILE 60 CO 0.04 0.21 1.19 -0.11 -0.10 0.00 0.00 174.94 176.17 2ens n LEU 61 N 4.97 5.41 -4.74 2.97 -0.00 0.83 -4.96 117.00 121.49 2ens n LEU 61 Ca -0.15 -5.27 -0.30 0.00 -0.00 0.00 0.00 56.01 50.29 2ens n LEU 61 Cb 0.51 -1.09 0.11 0.00 -0.00 0.00 0.00 43.42 42.95 2ens n LEU 61 CO 0.32 1.77 0.68 -2.16 -0.00 0.00 0.00 177.39 178.01 2ens s PRO 62 N -2.51 1.78 -1.25 1.96 0.04 -1.26 -2.94 135.00 130.82 2ens s PRO 62 Ca 0.33 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 2ens s PRO 62 Cb 0.06 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 2ens s PRO 62 CO 0.04 -1.93 0.70 0.39 0.04 0.00 0.00 177.00 176.25 2ens n GLU 63 N -3.69 -3.24 -2.53 4.56 1.02 0.79 -4.93 120.64 112.62 2ens n GLU 63 Ca 0.08 0.56 -0.37 0.00 -0.02 0.00 0.00 57.16 57.41 2ens n GLU 63 Cb 0.54 -4.81 -0.04 0.00 -0.02 0.00 0.00 31.44 27.11 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 -3.63 3.69 0.00 -3.67 1.01 -1.02 -4.83 121.20 112.75 2ens s ILE 64 Ca 0.19 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.17 2ens s ILE 64 Cb -0.06 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2ens s ILE 64 CO 0.83 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.42 2ens n GLY 65 N 0.42 4.86 0.20 6.18 0.00 -1.26 0.42 105.19 116.00 2ens n GLY 65 Ca 0.04 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 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 0.30 0.08 1.61 0.13 -1.97 -3.12 132.00 129.03 2ens h PRO 66 Ca 0.00 -0.16 -0.25 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.70 -1.11 1.96 -0.23 0.00 0.00 178.00 179.32 2ens h GLN 67 N 0.25 0.29 -0.67 0.86 1.08 -2.00 -3.25 115.11 111.67 2ens h GLN 67 Ca 0.02 -0.42 0.04 0.00 -1.45 0.00 0.00 58.65 56.84 2ens h GLN 67 Cb 0.90 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.44 2ens h GLN 67 CO 0.07 1.15 0.44 -0.44 -0.95 0.00 0.00 178.83 179.11 2ens h ASP 68 N 0.12 0.66 -1.73 1.46 5.19 -1.93 -3.43 116.42 116.76 2ens h ASP 68 Ca -0.11 -0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.63 2ens h ASP 68 Cb 1.80 -0.15 0.07 0.00 0.18 0.00 0.00 39.33 41.24 2ens h ASP 68 CO 0.18 0.45 0.22 0.00 -3.12 0.00 0.00 179.24 176.97 2ens n GLN 69 N -4.47 0.95 -3.73 3.56 6.02 -1.19 -4.86 117.38 113.66 2ens n GLN 69 Ca 0.09 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2ens n GLN 69 Cb 0.16 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.60 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 2.03 -1.41 3.73 1.08 0.00 -1.13 -4.96 105.19 104.53 2ens n GLY 70 Ca 0.16 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.94 5.19 -0.10 2.61 -4.23 -1.26 -0.91 115.64 114.00 2ens s THR 71 Ca 0.00 0.94 -0.00 0.00 -1.18 0.00 0.00 61.69 61.44 2ens s THR 71 Cb 0.00 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.06 2ens s THR 71 CO 0.00 0.34 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.04 2ens s TYR 72 N 0.56 1.30 0.18 3.99 2.02 0.59 -3.27 117.35 122.71 2ens s TYR 72 Ca 0.26 -0.59 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 2ens s TYR 72 Cb -0.15 -1.11 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 2ens s TYR 72 CO 0.10 -0.44 -0.06 0.45 -1.57 0.00 0.00 175.55 174.03 2ens s SER 73 N 1.58 1.79 -0.13 2.29 0.15 -1.20 -1.54 113.70 116.65 2ens s SER 73 Ca 0.02 -1.09 0.02 0.00 0.70 0.00 0.00 55.95 55.60 2ens s SER 73 Cb -0.13 0.00 -0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2ens s SER 73 CO -0.06 -0.40 -0.19 0.00 1.20 0.00 0.00 173.24 173.79 2ens s VAL 75 N 0.52 2.80 -0.22 0.00 1.01 -1.05 -2.88 120.40 120.57 2ens s VAL 75 Ca -0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2ens s VAL 75 Cb -0.16 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.20 2ens s VAL 75 CO 0.05 0.58 0.03 0.00 0.00 0.00 0.00 175.10 175.75 2ens s ALA 76 N -0.51 1.33 0.59 5.51 0.00 -1.25 0.31 121.76 127.72 2ens s ALA 76 Ca 0.07 -1.03 0.10 0.00 0.00 0.00 0.00 51.96 51.10 2ens s ALA 76 Cb -0.12 -1.32 0.09 0.00 0.00 0.00 0.00 23.12 21.78 2ens s ALA 76 CO 0.01 -1.27 0.81 -0.08 0.00 0.00 0.00 175.76 175.24 2ens s THR 77 N 1.71 2.06 0.04 0.00 -1.32 -1.23 -3.05 115.64 113.84 2ens s THR 77 Ca -0.00 -1.00 -0.13 0.00 -1.21 0.00 0.00 61.69 59.35 2ens s THR 77 Cb -0.18 -2.06 0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2ens s THR 77 CO -0.11 0.00 0.59 0.00 -2.21 0.00 0.00 174.62 172.89 2ens n HIS 78 N -2.28 -0.61 -0.24 9.09 1.44 -1.26 -4.02 115.22 117.35 2ens n HIS 78 Ca 0.16 -0.50 -0.03 0.00 -2.01 0.00 0.00 57.72 55.34 2ens n HIS 78 Cb 0.62 0.24 0.03 0.00 0.12 0.00 0.00 29.99 31.00 2ens n HIS 78 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2ens h SER 79 N 1.01 -1.08 0.60 4.39 0.87 -2.00 1.36 113.55 118.70 2ens h SER 79 Ca -0.12 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2ens h SER 79 Cb 0.60 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2ens h SER 79 CO 0.17 -0.29 0.00 -0.24 -0.53 0.00 0.00 176.83 175.94 2ens n SER 80 N -5.45 0.34 -2.85 6.23 2.88 -1.26 -4.90 113.62 108.60 2ens n SER 80 Ca 0.06 0.58 -0.12 0.00 -1.33 0.00 0.00 58.87 58.06 2ens n SER 80 Cb 0.37 -0.65 0.06 0.00 -0.75 0.00 0.00 64.21 63.23 2ens n SER 80 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2ens n HIS 81 N -1.87 -1.79 -3.59 0.66 -0.00 0.47 -4.98 115.22 104.12 2ens n HIS 81 Ca 0.03 0.69 -0.37 0.00 0.46 0.00 0.00 57.72 58.52 2ens n HIS 81 Cb 0.20 -4.06 -0.06 0.00 -0.12 0.00 0.00 29.99 25.95 2ens n HIS 81 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2ens s GLY 82 N -3.67 3.07 -0.44 1.57 0.00 -1.26 -4.84 107.32 101.75 2ens s GLY 82 Ca 0.18 -3.81 -0.28 0.00 0.00 0.00 0.00 44.72 40.81 2ens s GLY 82 CO 0.56 1.21 1.76 2.56 0.00 0.00 0.00 173.10 179.20 2ens s PRO 83 N -1.27 3.12 -0.04 2.90 0.04 -1.22 -4.50 135.00 134.02 2ens s PRO 83 Ca 0.27 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 2ens s PRO 83 Cb -0.08 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2ens s PRO 83 CO -0.11 -2.13 2.15 1.04 0.04 0.00 0.00 177.00 177.99 2ens n GLN 84 N 8.65 1.19 -1.43 4.56 1.13 -1.17 -4.84 117.38 125.47 2ens n GLN 84 Ca 0.21 -0.30 -0.60 0.00 -1.94 0.00 0.00 57.00 54.38 2ens n GLN 84 Cb 0.49 -1.17 -0.10 0.00 0.11 0.00 0.00 30.24 29.57 2ens n GLN 84 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2ens n GLU 85 N 1.44 0.31 -0.97 -1.09 2.13 -1.26 -4.75 120.64 116.45 2ens n GLU 85 Ca 0.08 0.10 -0.17 0.00 0.66 0.00 0.00 57.16 57.82 2ens n GLU 85 Cb 0.54 -1.74 0.13 0.00 0.27 0.00 0.00 31.44 30.64 2ens n GLU 85 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ens n SER 86 N 7.06 -0.39 -4.77 4.31 2.88 -1.14 -5.02 113.62 116.55 2ens n SER 86 Ca 0.45 -1.17 -0.34 0.00 -1.33 0.00 0.00 58.87 56.48 2ens n SER 86 Cb 0.02 -0.59 0.02 0.00 -0.75 0.00 0.00 64.21 62.92 2ens n SER 86 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2ens s ARG 87 N -4.62 3.13 0.01 -1.46 3.00 -1.26 -4.77 118.95 112.98 2ens s ARG 87 Ca 0.43 1.48 -0.30 0.00 0.00 0.00 0.00 55.73 57.34 2ens s ARG 87 Cb -0.02 -1.99 -0.05 0.00 0.00 0.00 0.00 34.95 32.90 2ens s ARG 87 CO 0.31 -1.01 1.28 0.00 0.00 0.00 0.00 175.30 175.88 2ens s ALA 88 N -2.06 3.50 -0.37 2.13 0.00 -1.26 -4.66 121.76 119.04 2ens s ALA 88 Ca 0.70 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 53.32 2ens s ALA 88 Cb -0.22 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2ens s ALA 88 CO 0.34 -0.72 0.27 0.08 0.00 0.00 0.00 175.76 175.73 2ens s VAL 89 N 1.89 5.27 -0.61 0.00 1.01 -0.59 -4.84 120.40 122.54 2ens s VAL 89 Ca 0.60 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 2ens s VAL 89 Cb -0.29 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.33 2ens s VAL 89 CO 0.26 -0.15 0.95 -0.94 0.00 0.00 0.00 175.10 175.22 2ens s SER 90 N 1.70 6.24 -0.37 3.32 1.04 -1.25 -0.30 113.70 124.07 2ens s SER 90 Ca 0.06 -0.73 -0.28 0.00 0.48 0.00 0.00 55.95 55.48 2ens s SER 90 Cb -0.18 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.53 2ens s SER 90 CO 0.10 -1.35 1.02 -0.63 0.98 0.00 0.00 173.24 173.37 2ens s ILE 91 N 4.01 4.49 0.34 -1.02 -1.09 -0.09 -4.85 121.20 122.99 2ens s ILE 91 Ca 0.25 1.41 0.09 0.00 -2.23 0.00 0.00 60.65 60.17 2ens s ILE 91 Cb -0.15 -4.41 -0.05 0.00 -1.58 0.00 0.00 42.46 36.26 2ens s ILE 91 CO 0.14 -0.60 -0.01 -0.44 -1.23 0.00 0.00 174.94 172.79 2ens s SER 92 N 1.90 4.10 0.07 3.58 0.01 -1.20 -2.84 113.70 119.32 2ens s SER 92 Ca 0.43 -1.01 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 2ens s SER 92 Cb -0.11 -0.51 -0.06 0.00 0.21 0.00 0.00 66.02 65.55 2ens s SER 92 CO 0.20 -0.21 0.40 -0.63 0.41 0.00 0.00 173.24 173.41 2ens s ILE 93 N -2.52 5.08 0.03 1.44 1.01 -1.26 -2.45 121.20 122.53 2ens s ILE 93 Ca 0.34 0.52 -0.15 0.00 0.00 0.00 0.00 60.65 61.37 2ens s ILE 93 Cb -0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 2ens s ILE 93 CO 0.19 0.34 0.44 -0.63 0.00 0.00 0.00 174.94 175.27 2ens s ILE 94 N -1.35 4.99 -0.05 2.92 1.01 -0.76 -4.86 121.20 123.10 2ens s ILE 94 Ca 0.31 0.84 -0.09 0.00 0.00 0.00 0.00 60.65 61.71 2ens s ILE 94 Cb -0.14 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2ens s ILE 94 CO 0.17 0.52 0.26 -1.83 0.00 0.00 0.00 174.94 174.06 2ens s GLU 95 N -1.24 3.62 0.00 2.79 -1.05 -1.26 -4.50 118.70 117.05 2ens s GLU 95 Ca 0.26 0.05 0.16 0.00 -0.15 0.00 0.00 54.97 55.29 2ens s GLU 95 Cb -0.17 -3.16 0.94 0.00 -0.44 0.00 0.00 34.13 31.30 2ens s GLU 95 CO 0.15 0.71 1.35 -0.35 0.95 0.00 0.00 175.26 178.07