#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 -0.10 0.05 1.61 1.04 -1.26 -5.16 113.70 109.88 2ens s SER 2 Ca 0.00 0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.67 2ens s SER 2 Cb 0.00 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2ens s SER 2 CO 0.00 -0.08 -0.04 -0.94 0.98 0.00 0.00 173.24 173.16 2ens s SER 3 N 0.48 0.58 0.00 7.02 1.04 -1.26 -5.15 113.70 116.41 2ens s SER 3 Ca -0.03 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2ens s SER 3 Cb -0.05 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2ens s SER 3 CO -0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2ens n GLY 4 N 0.38 4.56 2.87 7.32 0.00 -1.26 -5.15 105.19 113.91 2ens n GLY 4 Ca -0.16 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.74 1.52 -0.07 1.61 0.01 -1.26 -4.87 113.70 109.90 2ens s SER 5 Ca 0.00 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 2ens s SER 5 Cb 0.00 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 2ens s SER 5 CO 0.00 -0.11 -0.07 -0.24 0.41 0.00 0.00 173.24 173.23 2ens n SER 6 N 4.59 1.76 -4.67 2.44 2.88 -1.26 -5.00 113.62 114.36 2ens n SER 6 Ca -0.16 0.03 -0.46 0.00 -1.33 0.00 0.00 58.87 56.95 2ens n SER 6 Cb 0.50 -0.16 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 2ens n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ens n GLY 7 N 2.84 1.58 3.59 0.46 0.00 -1.26 -4.88 105.19 107.52 2ens n GLY 7 Ca -0.13 0.85 -0.42 0.00 0.00 0.00 0.00 46.02 46.33 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 4.30 3.48 -1.76 0.99 2.96 -1.26 -3.56 118.68 123.83 2ens s LEU 8 Ca 0.92 0.95 -0.17 0.00 -0.22 0.00 0.00 54.13 55.61 2ens s LEU 8 Cb -0.61 -3.31 0.16 0.00 0.50 0.00 0.00 46.19 42.93 2ens s LEU 8 CO 0.49 -1.76 0.51 -1.84 -1.32 0.00 0.00 176.35 172.42 2ens n GLU 9 N 8.49 -1.40 -0.09 1.98 0.28 -1.26 -4.82 120.64 123.83 2ens n GLU 9 Ca 0.20 0.19 -0.12 0.00 -0.16 0.00 0.00 57.16 57.27 2ens n GLU 9 Cb 0.48 -4.56 -0.05 0.00 1.43 0.00 0.00 31.44 28.74 2ens n GLU 9 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2ens h GLU 10 N -1.23 0.51 -4.31 3.44 4.57 -1.96 -3.39 114.58 112.20 2ens h GLU 10 Ca -0.61 -0.21 -0.72 0.00 -1.18 0.00 0.00 59.36 56.63 2ens h GLU 10 Cb 1.39 -0.02 -0.30 0.00 -0.16 0.00 0.00 28.75 29.66 2ens h GLU 10 CO 0.82 0.75 -0.41 0.08 -1.18 0.00 0.00 179.01 179.08 2ens s VAL 11 N -4.66 4.13 -0.36 0.32 1.01 -1.26 -4.44 120.40 115.14 2ens s VAL 11 Ca -0.13 -1.81 -0.09 0.00 0.00 0.00 0.00 61.98 59.94 2ens s VAL 11 Cb 0.07 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.76 2ens s VAL 11 CO 0.77 -0.77 0.17 -1.58 0.00 0.00 0.00 175.10 173.69 2ens s GLN 12 N 1.34 2.78 -0.42 2.72 -0.44 -1.26 -4.41 119.66 119.97 2ens s GLN 12 Ca 0.06 -1.10 -0.28 0.00 -2.50 0.00 0.00 55.36 51.54 2ens s GLN 12 Cb -0.26 -3.63 -0.01 0.00 -1.64 0.00 0.00 33.01 27.47 2ens s GLN 12 CO -0.01 -0.68 1.64 -1.17 0.50 0.00 0.00 175.29 175.58 2ens s LEU 13 N 1.50 3.49 -0.48 3.68 2.96 -1.26 -4.53 118.68 124.05 2ens s LEU 13 Ca 0.01 0.92 -0.22 0.00 -0.22 0.00 0.00 54.13 54.62 2ens s LEU 13 Cb -0.19 -3.35 0.04 0.00 0.50 0.00 0.00 46.19 43.18 2ens s LEU 13 CO 0.05 -1.71 0.73 -0.69 -1.32 0.00 0.00 176.35 173.42 2ens s VAL 14 N 6.62 4.71 0.20 1.68 1.01 0.87 -4.94 120.40 130.54 2ens s VAL 14 Ca 0.69 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2ens s VAL 14 Cb -0.17 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 2ens s VAL 14 CO 0.31 -0.77 0.28 0.68 0.00 0.00 0.00 175.10 175.60 2ens s VAL 15 N 3.12 5.08 -0.06 2.92 -7.23 -1.26 -0.14 120.40 122.82 2ens s VAL 15 Ca 0.24 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.45 2ens s VAL 15 Cb -0.14 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.14 2ens s VAL 15 CO 0.18 -0.22 0.03 -1.61 -0.31 0.00 0.00 175.10 173.17 2ens s GLU 16 N -3.58 0.31 0.63 4.82 0.41 -1.02 -2.03 118.70 118.24 2ens s GLU 16 Ca 0.34 0.22 -0.16 0.00 -0.41 0.00 0.00 54.97 54.95 2ens s GLU 16 Cb -0.10 -0.75 -0.02 0.00 -1.78 0.00 0.00 34.13 31.49 2ens s GLU 16 CO 0.28 -0.30 1.11 -1.25 -0.49 0.00 0.00 175.26 174.61 2ens s PRO 17 N 1.99 2.95 0.16 0.39 0.04 -1.26 -2.95 135.00 136.32 2ens s PRO 17 Ca 0.04 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 2ens s PRO 17 Cb -0.12 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2ens s PRO 17 CO -0.04 -1.14 1.58 1.49 0.04 0.00 0.00 177.00 178.92 2ens h GLU 18 N 0.33 -0.28 -0.72 4.56 4.81 -1.80 -0.08 114.58 121.40 2ens h GLU 18 Ca -0.48 0.02 0.29 0.00 -0.13 0.00 0.00 59.36 59.07 2ens h GLU 18 Cb 1.25 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.56 2ens h GLU 18 CO 0.55 -0.19 0.35 0.41 -0.73 0.00 0.00 179.01 179.40 2ens n GLY 19 N -1.41 -0.58 0.74 1.92 0.00 -1.26 -4.74 105.19 99.85 2ens n GLY 19 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2ens n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ens n GLY 20 N -1.20 1.24 3.15 -0.02 0.00 -0.04 -4.98 105.19 103.34 2ens n GLY 20 Ca 0.26 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.12 -0.68 0.17 4.61 0.00 -1.26 -3.02 121.76 119.46 2ens s ALA 21 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 2ens s ALA 21 Cb 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2ens s ALA 21 CO 0.00 -0.14 0.28 0.14 0.00 0.00 0.00 175.76 176.04 2ens s VAL 22 N 0.32 0.06 0.87 0.00 -7.23 -1.06 -4.67 120.40 108.69 2ens s VAL 22 Ca -0.01 -1.40 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 2ens s VAL 22 Cb -0.03 -1.85 0.12 0.00 0.56 0.00 0.00 36.38 35.17 2ens s VAL 22 CO -0.01 -0.29 1.11 0.00 -0.31 0.00 0.00 175.10 175.60 2ens s ALA 23 N -3.97 1.69 -1.09 1.32 0.00 -1.26 -1.61 121.76 116.83 2ens s ALA 23 Ca 0.17 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.27 2ens s ALA 23 Cb 0.03 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2ens s ALA 23 CO 0.00 -2.39 1.94 -1.25 0.00 0.00 0.00 175.76 174.06 2ens s PRO 24 N -4.77 2.51 0.00 0.00 0.04 -1.26 -2.54 135.00 128.99 2ens s PRO 24 Ca 0.64 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.80 2ens s PRO 24 Cb -0.20 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2ens s PRO 24 CO 0.57 -3.79 0.00 0.41 0.04 0.00 0.00 177.00 174.24 2ens n GLY 25 N 6.15 0.82 0.00 0.56 0.00 0.24 -4.90 105.19 108.07 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 1.78 2.74 -0.02 0.00 -1.05 -4.41 105.19 104.22 2ens n GLY 26 Ca 0.00 -1.94 -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 2.30 -0.19 -0.15 2.61 2.01 -1.26 -0.28 115.64 120.68 2ens s THR 27 Ca 0.00 0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 2ens s THR 27 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2ens s THR 27 CO 0.00 0.07 0.03 -0.69 -0.69 0.00 0.00 174.62 173.34 2ens s VAL 28 N 2.23 4.53 -0.36 3.82 1.01 -1.19 -4.81 120.40 125.63 2ens s VAL 28 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 2ens s VAL 28 Cb -0.13 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.32 2ens s VAL 28 CO -0.06 0.51 0.14 -0.89 0.00 0.00 0.00 175.10 174.80 2ens s THR 29 N -0.02 3.67 -0.47 3.92 2.01 -1.15 -0.97 115.64 122.62 2ens s THR 29 Ca 0.05 -1.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.47 2ens s THR 29 Cb -0.12 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.24 2ens s THR 29 CO 0.01 -0.33 0.55 -0.76 -0.69 0.00 0.00 174.62 173.41 2ens s LEU 30 N 1.34 4.92 -0.23 4.42 1.02 0.02 -2.44 118.68 127.73 2ens s LEU 30 Ca 0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 54.13 53.30 2ens s LEU 30 Cb -0.21 -2.45 -0.03 0.00 0.02 0.00 0.00 46.19 43.52 2ens s LEU 30 CO 0.01 -0.76 0.05 -0.89 0.02 0.00 0.00 176.35 174.77 2ens s THR 31 N 2.43 4.22 -0.58 5.49 2.01 0.80 -1.25 115.64 128.76 2ens s THR 31 Ca 0.14 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.98 2ens s THR 31 Cb -0.18 -2.95 0.15 0.00 0.01 0.00 0.00 72.50 69.53 2ens s THR 31 CO 0.13 0.37 0.36 0.00 -0.69 0.00 0.00 174.62 174.79 2ens s GLU 33 N -0.66 3.32 -0.02 0.00 4.04 -1.26 -4.77 118.70 119.34 2ens s GLU 33 Ca 0.21 -0.65 0.05 0.00 0.04 0.00 0.00 54.97 54.63 2ens s GLU 33 Cb -0.15 -2.75 -0.01 0.00 0.02 0.00 0.00 34.13 31.23 2ens s GLU 33 CO -0.08 0.15 -0.18 0.08 -1.84 0.00 0.00 175.26 173.40 2ens s VAL 34 N -2.21 1.41 -0.02 1.83 1.01 -1.25 -4.43 120.40 116.74 2ens s VAL 34 Ca 0.40 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 2ens s VAL 34 Cb -0.09 -1.19 -0.19 0.00 0.00 0.00 0.00 36.38 34.91 2ens s VAL 34 CO 0.33 0.40 1.21 1.55 0.00 0.00 0.00 175.10 178.59 2ens h PRO 35 N 5.89 -0.07 -0.16 2.72 0.13 -1.97 -3.33 132.00 135.22 2ens h PRO 35 Ca -0.35 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2ens h PRO 35 Cb 1.16 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ens h PRO 35 CO 0.48 0.39 -0.09 0.00 -0.23 0.00 0.00 178.00 178.55 2ens h ALA 36 N 0.32 0.22 -3.12 -0.56 0.00 -1.97 -3.42 119.26 110.73 2ens h ALA 36 Ca -0.01 -0.28 -0.62 0.00 0.00 0.00 0.00 54.91 54.00 2ens h ALA 36 Cb 0.50 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 2ens h ALA 36 CO 0.01 0.04 -0.53 -0.65 0.00 0.00 0.00 179.25 178.13 2ens s GLN 37 N -4.51 4.02 -0.02 0.00 -1.52 -1.25 -5.01 119.66 111.37 2ens s GLN 37 Ca -0.14 -0.30 -0.25 0.00 -1.95 0.00 0.00 55.36 52.72 2ens s GLN 37 Cb 0.05 -3.45 -0.19 0.00 -0.22 0.00 0.00 33.01 29.21 2ens s GLN 37 CO 0.74 0.09 1.19 -1.00 -0.25 0.00 0.00 175.29 176.07 2ens h PRO 38 N 7.38 -0.11 -2.10 2.91 0.13 -1.83 -3.31 132.00 135.08 2ens h PRO 38 Ca -0.38 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.22 2ens h PRO 38 Cb 1.17 0.02 -0.41 0.00 0.13 0.00 0.00 31.00 31.92 2ens h PRO 38 CO 0.66 0.34 -0.96 0.43 -0.23 0.00 0.00 178.00 178.24 2ens n SER 39 N -4.92 2.00 -3.77 1.44 7.64 -1.26 -4.70 113.62 110.06 2ens n SER 39 Ca -0.09 -3.18 -0.30 0.00 1.01 0.00 0.00 58.87 56.32 2ens n SER 39 Cb 0.25 -0.61 0.24 0.00 -1.01 0.00 0.00 64.21 63.08 2ens n SER 39 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ens s PRO 40 N -2.46 -1.31 -0.76 1.43 0.04 -1.26 -4.92 135.00 125.76 2ens s PRO 40 Ca 0.41 -0.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.09 2ens s PRO 40 Cb 0.27 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 33.24 2ens s PRO 40 CO -0.09 -3.76 1.46 -1.14 0.04 0.00 0.00 177.00 173.50 2ens s GLN 41 N -5.43 3.09 0.25 4.56 0.74 -1.26 -4.95 119.66 116.67 2ens s GLN 41 Ca 0.71 -0.18 -0.20 0.00 0.05 0.00 0.00 55.36 55.74 2ens s GLN 41 Cb -0.09 -4.42 -0.09 0.00 1.10 0.00 0.00 33.01 29.51 2ens s GLN 41 CO 0.56 -2.34 0.76 0.42 -0.55 0.00 0.00 175.29 174.14 2ens s ILE 42 N 6.55 4.53 0.16 -2.34 -1.09 -1.26 -3.78 121.20 123.96 2ens s ILE 42 Ca 0.45 1.33 -0.01 0.00 -2.23 0.00 0.00 60.65 60.19 2ens s ILE 42 Cb -0.08 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 2ens s ILE 42 CO 0.12 0.15 0.07 -1.00 -1.23 0.00 0.00 174.94 173.05 2ens s HIS 43 N -1.60 1.01 -0.12 3.97 3.76 -1.25 -4.21 115.29 116.86 2ens s HIS 43 Ca 0.45 -1.24 -0.04 0.00 -0.15 0.00 0.00 55.06 54.09 2ens s HIS 43 Cb -0.16 -0.55 0.05 0.00 1.11 0.00 0.00 32.58 33.03 2ens s HIS 43 CO 0.21 -0.49 0.08 -1.58 -0.85 0.00 0.00 174.74 172.10 2ens s TRP 44 N -4.00 0.14 0.13 1.40 0.52 -1.26 -3.34 118.94 112.52 2ens s TRP 44 Ca 0.28 -0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.40 2ens s TRP 44 Cb 0.07 -0.60 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 2ens s TRP 44 CO 0.05 -0.38 -0.07 -1.64 0.02 0.00 0.00 176.95 174.93 2ens s MET 45 N 2.15 2.22 -0.30 4.98 -1.94 -0.89 -3.55 119.30 121.98 2ens s MET 45 Ca 0.03 -1.05 -0.01 0.00 -1.71 0.00 0.00 55.69 52.95 2ens s MET 45 Cb -0.14 -2.33 0.10 0.00 2.01 0.00 0.00 34.83 34.47 2ens s MET 45 CO -0.07 0.49 0.10 0.21 -0.01 0.00 0.00 175.02 175.75 2ens s LYS 46 N -2.44 0.61 -0.92 2.03 2.20 0.38 -3.26 119.74 118.34 2ens s LYS 46 Ca 0.24 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2ens s LYS 46 Cb -0.11 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 2ens s LYS 46 CO 0.15 -0.98 0.00 -3.47 -0.36 0.00 0.00 175.35 170.69 2ens n ASP 47 N 4.93 -3.57 0.00 1.43 2.03 -1.21 -2.70 116.55 117.46 2ens n ASP 47 Ca -0.03 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2ens n ASP 47 Cb 0.42 -2.73 0.00 0.00 -0.72 0.00 0.00 41.12 38.09 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 -1.08 2.93 3.75 0.27 0.00 -1.26 -5.02 105.19 104.77 2ens n GLY 48 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.48 5.33 0.99 1.61 0.11 -1.10 -5.03 120.40 119.83 2ens s VAL 49 Ca 0.00 0.47 -0.12 0.00 -2.93 0.00 0.00 61.98 59.39 2ens s VAL 49 Cb 0.00 -3.58 0.18 0.00 -1.53 0.00 0.00 36.38 31.45 2ens s VAL 49 CO 0.00 0.43 1.09 -2.16 -3.33 0.00 0.00 175.10 171.13 2ens s PRO 50 N 0.23 0.48 0.11 1.54 0.04 -1.26 -0.47 135.00 135.67 2ens s PRO 50 Ca 0.15 0.54 0.09 0.00 0.04 0.00 0.00 61.00 61.82 2ens s PRO 50 Cb -0.13 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2ens s PRO 50 CO 0.03 -2.70 -0.24 -0.51 0.04 0.00 0.00 177.00 173.62 2ens s LEU 51 N -6.44 2.29 -1.19 -3.56 1.43 -1.23 -4.79 118.68 105.18 2ens s LEU 51 Ca 0.65 -0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 52.83 2ens s LEU 51 Cb -0.18 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.87 2ens s LEU 51 CO 0.58 0.14 1.94 -2.16 0.23 0.00 0.00 176.35 177.07 2ens s PRO 52 N -1.87 2.48 -0.01 1.29 0.04 -1.26 -4.85 135.00 130.83 2ens s PRO 52 Ca 0.10 -1.19 -0.22 0.00 0.04 0.00 0.00 61.00 59.74 2ens s PRO 52 Cb -0.10 -5.25 0.05 0.00 0.04 0.00 0.00 34.50 29.24 2ens s PRO 52 CO 0.05 -4.01 0.49 -0.51 0.04 0.00 0.00 177.00 173.05 2ens s LEU 53 N 11.10 0.12 0.26 -3.56 1.43 -1.26 -5.15 118.68 121.61 2ens s LEU 53 Ca 0.68 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 2ens s LEU 53 Cb -0.01 1.91 -0.09 0.00 0.03 0.00 0.00 46.19 48.03 2ens s LEU 53 CO 0.14 -0.58 1.26 -2.16 0.23 0.00 0.00 176.35 175.24 2ens s PRO 54 N -1.62 4.43 -0.07 1.29 0.04 -1.26 -4.97 135.00 132.84 2ens s PRO 54 Ca -0.10 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 2ens s PRO 54 Cb -0.02 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2ens s PRO 54 CO 0.04 -0.13 1.51 -1.25 0.04 0.00 0.00 177.00 177.21 2ens s PRO 55 N -0.93 4.21 0.05 0.56 0.04 -1.26 -5.00 135.00 132.67 2ens s PRO 55 Ca 0.52 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.47 2ens s PRO 55 Cb -0.36 -3.85 0.01 0.00 0.04 0.00 0.00 34.50 30.34 2ens s PRO 55 CO 0.43 -0.76 0.22 -1.12 0.04 0.00 0.00 177.00 175.81 2ens s SER 56 N 2.70 0.01 0.00 6.66 0.01 -1.26 -4.82 113.70 117.00 2ens s SER 56 Ca 0.67 -0.37 0.15 0.00 1.31 0.00 0.00 55.95 57.70 2ens s SER 56 Cb -0.30 0.31 0.69 0.00 0.21 0.00 0.00 66.02 66.93 2ens s SER 56 CO 0.25 -0.60 1.43 -0.81 0.41 0.00 0.00 173.24 173.92 2ens n PRO 57 N 0.55 0.12 -3.70 12.44 -0.04 -1.26 -4.56 135.00 138.55 2ens n PRO 57 Ca -0.18 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 2ens n PRO 57 Cb 0.60 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.39 2ens n PRO 57 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ens s VAL 58 N -2.75 -0.15 -0.19 0.52 0.11 -1.26 -1.81 120.40 114.87 2ens s VAL 58 Ca 0.11 0.33 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 2ens s VAL 58 Cb 0.10 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.77 2ens s VAL 58 CO 0.24 0.14 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.76 2ens s LEU 59 N 1.86 2.36 -0.25 2.54 2.96 -0.38 -4.97 118.68 122.80 2ens s LEU 59 Ca -0.00 -0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 53.01 2ens s LEU 59 Cb -0.12 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2ens s LEU 59 CO -0.05 -0.06 0.13 -0.63 -1.32 0.00 0.00 176.35 174.43 2ens s ILE 60 N 1.28 4.98 -0.91 6.68 1.09 -1.26 -0.80 121.20 132.26 2ens s ILE 60 Ca 0.02 0.05 -0.01 0.00 -1.10 0.00 0.00 60.65 59.61 2ens s ILE 60 Cb -0.15 -3.33 0.25 0.00 -1.06 0.00 0.00 42.46 38.17 2ens s ILE 60 CO -0.11 0.32 0.99 -0.11 -0.10 0.00 0.00 174.94 175.93 2ens n LEU 61 N 4.65 4.80 -4.77 2.97 7.94 -0.14 -4.97 117.00 127.48 2ens n LEU 61 Ca -0.15 -5.21 -0.38 0.00 -1.11 0.00 0.00 56.01 49.16 2ens n LEU 61 Cb 0.52 -1.08 -0.01 0.00 0.53 0.00 0.00 43.42 43.37 2ens n LEU 61 CO 0.33 1.68 0.84 -2.16 -1.11 0.00 0.00 177.39 176.98 2ens s PRO 62 N -1.98 3.90 -0.96 1.96 0.04 -1.26 -3.16 135.00 133.55 2ens s PRO 62 Ca 0.31 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.16 2ens s PRO 62 Cb 0.00 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 2ens s PRO 62 CO -0.04 -0.45 0.82 0.39 0.04 0.00 0.00 177.00 177.76 2ens n GLU 63 N -0.19 -3.77 -2.25 4.56 1.02 0.62 -4.96 120.64 115.66 2ens n GLU 63 Ca 0.06 0.73 -0.34 0.00 -0.02 0.00 0.00 57.16 57.59 2ens n GLU 63 Cb 0.47 -5.29 -0.00 0.00 -0.02 0.00 0.00 31.44 26.60 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 -3.32 3.40 0.00 -3.67 1.01 -0.68 -4.79 121.20 113.15 2ens s ILE 64 Ca 0.20 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.67 2ens s ILE 64 Cb -0.03 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2ens s ILE 64 CO 0.63 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2ens n GLY 65 N -0.14 4.43 0.20 6.18 0.00 -1.26 0.83 105.19 115.42 2ens n GLY 65 Ca 0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 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 0.31 0.00 1.61 0.13 -1.97 -2.93 132.00 129.15 2ens h PRO 66 Ca 0.00 -0.17 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 2ens h PRO 66 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2ens h PRO 66 CO 0.00 0.71 -0.43 -0.56 -0.23 0.00 0.00 178.00 177.49 2ens h GLN 67 N 0.26 0.00 -0.13 0.86 3.07 -2.00 -3.01 115.11 114.15 2ens h GLN 67 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.62 2ens h GLN 67 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.45 2ens h GLN 67 CO 0.07 0.43 -0.50 -0.44 0.09 0.00 0.00 178.83 178.48 2ens h ASP 68 N 0.00 0.38 -1.72 0.06 5.19 -1.91 -3.45 116.42 114.98 2ens h ASP 68 Ca -0.00 -0.19 -0.67 0.00 -0.62 0.00 0.00 57.03 55.55 2ens h ASP 68 Cb 0.95 -0.11 0.08 0.00 0.18 0.00 0.00 39.33 40.42 2ens h ASP 68 CO 0.06 0.82 0.16 0.00 -3.12 0.00 0.00 179.24 177.16 2ens n GLN 69 N -3.96 0.89 -3.50 3.56 6.02 -1.14 -4.85 117.38 114.40 2ens n GLN 69 Ca -0.02 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2ens n GLN 69 Cb 0.55 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 1.95 -1.52 3.76 1.08 0.00 -0.79 -4.97 105.19 104.70 2ens n GLY 70 Ca 0.16 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.57 5.01 -0.11 2.61 -4.23 -1.26 -0.13 115.64 114.97 2ens s THR 71 Ca 0.00 1.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 2ens s THR 71 Cb 0.00 -3.88 0.02 0.00 1.34 0.00 0.00 72.50 69.98 2ens s THR 71 CO 0.00 0.40 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.05 2ens s TYR 72 N 0.00 1.73 -0.08 3.99 1.51 0.96 -3.35 117.35 122.11 2ens s TYR 72 Ca 0.29 -0.83 -0.12 0.00 -1.01 0.00 0.00 57.07 55.40 2ens s TYR 72 Cb -0.17 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.39 2ens s TYR 72 CO 0.15 -0.48 0.31 0.45 -1.11 0.00 0.00 175.55 174.87 2ens s SER 73 N 1.23 -0.27 0.05 2.29 0.15 -1.20 -2.32 113.70 113.63 2ens s SER 73 Ca -0.03 0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.99 2ens s SER 73 Cb -0.14 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.65 2ens s SER 73 CO -0.04 -0.22 0.32 0.00 1.20 0.00 0.00 173.24 174.50 2ens s VAL 75 N -1.40 2.89 -0.08 0.00 1.01 -1.21 -2.62 120.40 119.00 2ens s VAL 75 Ca 0.32 -2.96 -0.18 0.00 0.00 0.00 0.00 61.98 59.16 2ens s VAL 75 Cb -0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2ens s VAL 75 CO 0.19 -0.78 0.47 0.00 0.00 0.00 0.00 175.10 174.98 2ens s ALA 76 N 0.08 3.53 -0.02 5.51 0.00 -0.99 -3.81 121.76 126.06 2ens s ALA 76 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2ens s ALA 76 Cb -0.23 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.32 2ens s ALA 76 CO -0.03 0.14 0.05 -0.08 0.00 0.00 0.00 175.76 175.84 2ens s THR 77 N 0.11 -0.05 0.34 0.00 -1.32 -1.25 -1.59 115.64 111.89 2ens s THR 77 Ca 0.26 0.17 -0.10 0.00 -1.21 0.00 0.00 61.69 60.81 2ens s THR 77 Cb -0.16 -0.10 0.02 0.00 -1.51 0.00 0.00 72.50 70.76 2ens s THR 77 CO 0.12 0.07 0.61 -1.38 -2.21 0.00 0.00 174.62 171.83 2ens s HIS 78 N 0.90 0.50 0.22 9.09 -3.43 0.62 -4.19 115.29 119.00 2ens s HIS 78 Ca -0.07 -0.94 -0.14 0.00 -0.80 0.00 0.00 55.06 53.11 2ens s HIS 78 Cb -0.10 0.36 0.25 0.00 -1.43 0.00 0.00 32.58 31.66 2ens s HIS 78 CO -0.03 -1.28 1.60 1.03 -2.00 0.00 0.00 174.74 174.06 2ens h SER 79 N 2.09 -0.83 0.02 7.38 0.87 -2.01 -2.36 113.55 118.71 2ens h SER 79 Ca -0.29 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2ens h SER 79 Cb 1.25 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.69 2ens h SER 79 CO 0.38 -0.26 -0.15 0.28 -0.53 0.00 0.00 176.83 176.54 2ens h SER 80 N -0.04 -0.47 -4.38 6.23 0.02 -2.02 -3.42 113.55 109.46 2ens h SER 80 Ca 0.32 0.05 -0.70 0.00 -0.84 0.00 0.00 61.79 60.63 2ens h SER 80 Cb 0.54 0.18 -0.31 0.00 0.14 0.00 0.00 62.40 62.95 2ens h SER 80 CO -0.75 -0.16 -0.89 -1.00 -1.14 0.00 0.00 176.83 172.90 2ens s HIS 81 N -3.79 2.37 0.00 3.45 4.02 -0.89 -5.11 115.29 115.34 2ens s HIS 81 Ca -0.05 -0.55 0.00 0.00 1.02 0.00 0.00 55.06 55.48 2ens s HIS 81 Cb 0.02 -1.54 0.00 0.00 -1.02 0.00 0.00 32.58 30.04 2ens s HIS 81 CO 0.18 -0.11 0.00 0.41 1.02 0.00 0.00 174.74 176.24 2ens n GLY 82 N 2.63 -2.00 3.55 -2.22 0.00 -1.24 -0.27 105.19 105.64 2ens n GLY 82 Ca -0.17 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 2.61 0.10 1.61 0.04 -1.26 -3.86 135.00 134.24 2ens s PRO 83 Ca 0.00 0.41 0.02 0.00 0.04 0.00 0.00 61.00 61.47 2ens s PRO 83 Cb 0.00 -4.54 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 2ens s PRO 83 CO 0.00 -2.88 0.18 -1.14 0.04 0.00 0.00 177.00 173.21 2ens s GLN 84 N 7.04 3.22 -0.09 4.56 0.74 -0.62 -4.81 119.66 129.70 2ens s GLN 84 Ca 0.68 -0.60 -0.04 0.00 0.05 0.00 0.00 55.36 55.45 2ens s GLN 84 Cb -0.11 -2.88 0.05 0.00 1.10 0.00 0.00 33.01 31.16 2ens s GLN 84 CO 0.16 0.56 0.18 -2.00 -0.55 0.00 0.00 175.29 173.64 2ens s GLU 85 N -2.73 0.09 1.07 1.67 2.12 -1.26 -2.33 118.70 117.32 2ens s GLU 85 Ca 0.33 0.54 -0.16 0.00 0.36 0.00 0.00 54.97 56.03 2ens s GLU 85 Cb -0.12 -0.19 0.23 0.00 0.26 0.00 0.00 34.13 34.31 2ens s GLU 85 CO 0.26 -0.25 1.16 -1.54 -0.54 0.00 0.00 175.26 174.35 2ens s SER 86 N 1.89 2.11 1.17 -1.70 1.04 -1.08 -5.02 113.70 112.11 2ens s SER 86 Ca -0.02 0.66 -0.17 0.00 0.48 0.00 0.00 55.95 56.89 2ens s SER 86 Cb -0.12 -0.96 0.21 0.00 0.10 0.00 0.00 66.02 65.26 2ens s SER 86 CO -0.07 -3.39 0.42 0.54 0.98 0.00 0.00 173.24 171.72 2ens n ARG 87 N -4.27 -2.68 -3.60 4.02 5.12 -1.26 -4.79 116.66 109.19 2ens n ARG 87 Ca 0.12 -0.78 -0.38 0.00 -1.93 0.00 0.00 57.85 54.87 2ens n ARG 87 Cb 0.59 -1.72 -0.11 0.00 -1.16 0.00 0.00 32.46 30.06 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 -2.17 3.44 -0.41 7.54 0.00 -1.26 -4.60 121.76 124.30 2ens s ALA 88 Ca 0.53 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 2ens s ALA 88 Cb -0.12 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.56 2ens s ALA 88 CO 0.53 -0.70 0.31 0.08 0.00 0.00 0.00 175.76 175.98 2ens s VAL 89 N 1.71 5.25 -0.62 0.00 1.01 -0.98 -4.90 120.40 121.86 2ens s VAL 89 Ca 0.06 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2ens s VAL 89 Cb -0.16 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.35 2ens s VAL 89 CO 0.09 -0.30 0.93 -0.94 0.00 0.00 0.00 175.10 174.89 2ens s SER 90 N 1.69 6.22 -0.21 3.32 1.04 -1.26 -0.03 113.70 124.47 2ens s SER 90 Ca 0.06 -0.83 -0.27 0.00 0.48 0.00 0.00 55.95 55.38 2ens s SER 90 Cb -0.19 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2ens s SER 90 CO 0.10 -1.35 0.95 -0.63 0.98 0.00 0.00 173.24 173.29 2ens s ILE 91 N 3.93 4.76 0.24 -1.02 -1.09 0.82 -4.79 121.20 124.05 2ens s ILE 91 Ca 0.24 1.84 0.06 0.00 -2.23 0.00 0.00 60.65 60.55 2ens s ILE 91 Cb -0.16 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.44 2ens s ILE 91 CO 0.12 -0.10 -0.06 -0.44 -1.23 0.00 0.00 174.94 173.23 2ens s SER 92 N 1.23 2.39 -0.05 3.58 0.01 -1.17 -1.88 113.70 117.81 2ens s SER 92 Ca 0.41 -1.15 -0.16 0.00 1.31 0.00 0.00 55.95 56.36 2ens s SER 92 Cb -0.16 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 2ens s SER 92 CO 0.08 -0.36 0.42 -0.63 0.41 0.00 0.00 173.24 173.17 2ens s ILE 93 N -3.15 5.09 -0.01 1.44 1.01 -1.26 -2.58 121.20 121.75 2ens s ILE 93 Ca 0.27 0.86 -0.10 0.00 0.00 0.00 0.00 60.65 61.67 2ens s ILE 93 Cb 0.03 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 2ens s ILE 93 CO 0.09 0.49 0.32 -0.63 0.00 0.00 0.00 174.94 175.20 2ens s ILE 94 N -0.43 5.21 -0.15 2.92 1.01 -0.64 -4.91 121.20 124.20 2ens s ILE 94 Ca 0.24 0.48 -0.10 0.00 0.00 0.00 0.00 60.65 61.27 2ens s ILE 94 Cb -0.16 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2ens s ILE 94 CO 0.12 0.49 0.18 -1.83 0.00 0.00 0.00 174.94 173.90 2ens s GLU 95 N -1.36 3.94 0.00 2.79 -1.05 -1.26 -4.43 118.70 117.32 2ens s GLU 95 Ca 0.24 -0.09 0.16 0.00 -0.15 0.00 0.00 54.97 55.13 2ens s GLU 95 Cb -0.14 -3.33 0.94 0.00 -0.44 0.00 0.00 34.13 31.15 2ens s GLU 95 CO 0.13 0.47 1.35 -0.35 0.95 0.00 0.00 175.26 177.81