#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 0.01 -0.08 1.61 0.15 -1.26 -5.14 113.70 108.98 2ens s SER 2 Ca 0.00 0.74 -0.03 0.00 0.70 0.00 0.00 55.95 57.36 2ens s SER 2 Cb 0.00 0.88 0.05 0.00 -1.71 0.00 0.00 66.02 65.23 2ens s SER 2 CO 0.00 -0.22 0.17 -0.94 1.20 0.00 0.00 173.24 173.44 2ens s SER 3 N 2.25 0.42 0.02 5.45 1.04 -1.26 -5.13 113.70 116.49 2ens s SER 3 Ca -0.02 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2ens s SER 3 Cb -0.11 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 2ens s SER 3 CO -0.10 -0.21 0.01 0.61 0.98 0.00 0.00 173.24 174.52 2ens n GLY 4 N 4.95 4.06 3.93 7.32 0.00 -1.26 -5.16 105.19 119.03 2ens n GLY 4 Ca -0.12 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 2ens n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ens s SER 5 N -1.13 6.36 -0.72 1.61 1.04 -1.26 -4.97 113.70 114.63 2ens s SER 5 Ca 0.01 0.24 -0.36 0.00 0.48 0.00 0.00 55.95 56.32 2ens s SER 5 Cb 0.00 -1.94 -0.20 0.00 0.10 0.00 0.00 66.02 63.98 2ens s SER 5 CO 0.01 0.11 2.33 -1.20 0.98 0.00 0.00 173.24 175.47 2ens n SER 6 N -0.08 0.50 -2.43 7.02 7.64 -1.26 -4.89 113.62 120.13 2ens n SER 6 Ca -0.06 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2ens n SER 6 Cb 0.52 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2ens n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ens n GLY 7 N 6.76 -0.60 3.55 0.23 0.00 -1.26 -4.90 105.19 108.97 2ens n GLY 7 Ca 0.58 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 3.22 -0.44 0.99 2.96 -1.26 -4.93 118.68 119.22 2ens s LEU 8 Ca 0.00 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 2ens s LEU 8 Cb 0.00 -2.54 0.07 0.00 0.50 0.00 0.00 46.19 44.22 2ens s LEU 8 CO 0.00 -2.65 0.31 -1.61 -1.32 0.00 0.00 176.35 171.08 2ens s GLU 9 N 7.21 2.78 -0.04 1.98 2.02 -1.26 -4.69 118.70 126.71 2ens s GLU 9 Ca 0.72 -1.38 -0.06 0.00 0.02 0.00 0.00 54.97 54.27 2ens s GLU 9 Cb -0.10 -3.93 -0.02 0.00 0.10 0.00 0.00 34.13 30.18 2ens s GLU 9 CO 0.11 -0.97 -0.11 0.39 0.02 0.00 0.00 175.26 174.71 2ens n GLU 10 N 5.05 0.17 -1.39 1.61 -0.58 -1.26 -5.01 120.64 119.22 2ens n GLU 10 Ca -0.11 0.07 -0.53 0.00 -0.42 0.00 0.00 57.16 56.17 2ens n GLU 10 Cb 0.43 -0.70 -0.06 0.00 -0.57 0.00 0.00 31.44 30.55 2ens n GLU 10 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2ens n VAL 11 N -3.33 0.59 -3.35 2.62 0.24 -1.26 -4.89 118.33 108.95 2ens n VAL 11 Ca -0.04 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.34 61.78 2ens n VAL 11 Cb 0.16 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 2ens n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ens n GLN 12 N 1.27 3.09 -1.72 7.34 10.64 -1.25 -4.43 117.38 132.32 2ens n GLN 12 Ca 0.18 -4.61 -0.39 0.00 -1.83 0.00 0.00 57.00 50.35 2ens n GLN 12 Cb 0.13 -2.35 0.04 0.00 -0.86 0.00 0.00 30.24 27.19 2ens n GLN 12 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 2ens n LEU 13 N 1.22 4.98 -4.47 2.61 -0.00 -1.26 -4.09 117.00 115.99 2ens n LEU 13 Ca 0.27 0.99 -0.31 0.00 -0.00 0.00 0.00 56.01 56.96 2ens n LEU 13 Cb 0.38 -1.54 -0.13 0.00 -0.00 0.00 0.00 43.42 42.14 2ens n LEU 13 CO 0.49 -0.75 -0.47 -0.69 -0.00 0.00 0.00 177.39 175.97 2ens s VAL 14 N -1.29 2.93 0.28 1.47 1.01 0.21 -4.87 120.40 120.14 2ens s VAL 14 Ca 0.70 -1.05 0.10 0.00 0.00 0.00 0.00 61.98 61.73 2ens s VAL 14 Cb -0.44 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2ens s VAL 14 CO 0.51 0.40 -0.07 0.68 0.00 0.00 0.00 175.10 176.61 2ens s VAL 15 N -0.89 2.98 -0.11 2.92 -7.23 -1.26 -0.73 120.40 116.08 2ens s VAL 15 Ca 0.14 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2ens s VAL 15 Cb -0.11 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.24 2ens s VAL 15 CO 0.05 -0.36 0.09 -1.61 -0.31 0.00 0.00 175.10 172.95 2ens s GLU 16 N -3.62 0.00 1.05 4.82 0.41 -1.00 -2.99 118.70 117.38 2ens s GLU 16 Ca 0.31 0.19 -0.14 0.00 -0.41 0.00 0.00 54.97 54.92 2ens s GLU 16 Cb -0.05 -1.09 0.21 0.00 -1.78 0.00 0.00 34.13 31.43 2ens s GLU 16 CO 0.18 -0.49 1.10 -1.25 -0.49 0.00 0.00 175.26 174.31 2ens s PRO 17 N 2.17 0.00 0.08 0.39 0.04 -1.26 -2.65 135.00 133.78 2ens s PRO 17 Ca 0.04 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.24 2ens s PRO 17 Cb -0.14 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.58 2ens s PRO 17 CO -0.06 -2.99 1.65 1.49 0.04 0.00 0.00 177.00 177.13 2ens h GLU 18 N -2.07 0.15 -0.92 4.56 4.81 -1.92 -2.91 114.58 116.27 2ens h GLU 18 Ca -0.53 -0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.02 2ens h GLU 18 Cb 1.33 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.51 2ens h GLU 18 CO 0.53 0.21 0.33 0.41 -0.73 0.00 0.00 179.01 179.77 2ens n GLY 19 N -0.81 -0.88 0.33 1.92 0.00 -1.26 -4.78 105.19 99.72 2ens n GLY 19 Ca -0.05 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.32 1.51 3.14 -0.02 0.00 -1.10 -5.03 105.19 102.38 2ens n GLY 20 Ca 0.30 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.34 -0.02 4.61 0.00 -1.26 -2.96 121.76 119.79 2ens s ALA 21 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 2ens s ALA 21 Cb 0.00 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.35 2ens s ALA 21 CO 0.00 -0.27 0.60 0.14 0.00 0.00 0.00 175.76 176.24 2ens s VAL 22 N -1.85 0.01 0.99 0.00 -7.23 -0.91 -4.59 120.40 106.82 2ens s VAL 22 Ca -0.11 -0.10 -0.14 0.00 -1.81 0.00 0.00 61.98 59.82 2ens s VAL 22 Cb -0.05 -0.94 0.05 0.00 0.56 0.00 0.00 36.38 36.01 2ens s VAL 22 CO -0.00 -0.06 0.30 0.00 -0.31 0.00 0.00 175.10 175.04 2ens n ALA 23 N 0.84 -3.01 -2.07 1.32 0.00 -1.26 -2.41 120.51 113.93 2ens n ALA 23 Ca -0.19 -0.78 -0.28 0.00 0.00 0.00 0.00 53.44 52.19 2ens n ALA 23 Cb 0.58 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.59 2.52 0.00 0.00 0.04 -1.26 -2.50 135.00 130.21 2ens s PRO 24 Ca 0.57 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.65 2ens s PRO 24 Cb -0.19 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2ens s PRO 24 CO 0.67 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 174.29 2ens n GLY 25 N 6.06 0.81 0.00 0.56 0.00 0.23 -4.90 105.19 107.95 2ens n GLY 25 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 1.69 2.90 -0.02 0.00 -1.04 -4.39 105.19 104.33 2ens n GLY 26 Ca 0.00 -1.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 2.33 -0.22 -0.11 2.61 2.01 -1.26 -0.33 115.64 120.67 2ens s THR 27 Ca 0.00 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2ens s THR 27 Cb 0.00 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 2ens s THR 27 CO 0.00 0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.26 2ens s VAL 28 N 1.98 3.32 -0.39 3.82 1.01 -1.22 -4.71 120.40 124.21 2ens s VAL 28 Ca -0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 2ens s VAL 28 Cb -0.12 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.93 2ens s VAL 28 CO -0.06 0.54 0.22 -0.89 0.00 0.00 0.00 175.10 174.90 2ens s THR 29 N -0.04 4.36 -0.61 3.92 2.01 -1.08 -1.70 115.64 122.49 2ens s THR 29 Ca -0.02 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.70 2ens s THR 29 Cb -0.14 -3.53 0.12 0.00 0.01 0.00 0.00 72.50 68.97 2ens s THR 29 CO 0.03 -0.34 0.67 -0.76 -0.69 0.00 0.00 174.62 173.54 2ens s LEU 30 N 1.49 5.71 -0.04 4.42 1.43 0.80 -2.37 118.68 130.12 2ens s LEU 30 Ca 0.02 -1.67 -0.03 0.00 -1.03 0.00 0.00 54.13 51.42 2ens s LEU 30 Cb -0.21 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2ens s LEU 30 CO 0.04 -1.00 0.11 -0.89 0.23 0.00 0.00 176.35 174.84 2ens s THR 31 N 2.18 5.01 -0.91 5.49 2.01 0.09 -0.92 115.64 128.59 2ens s THR 31 Ca 0.11 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2ens s THR 31 Cb -0.24 -3.25 0.30 0.00 0.01 0.00 0.00 72.50 69.32 2ens s THR 31 CO 0.03 0.45 1.27 0.00 -0.69 0.00 0.00 174.62 175.68 2ens n GLU 33 N 0.88 0.12 -3.85 0.00 -0.58 -1.26 -4.84 120.64 111.11 2ens n GLU 33 Ca 0.30 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.96 2ens n GLU 33 Cb 0.35 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.52 2ens n GLU 33 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ens s VAL 34 N 1.78 -0.01 -0.02 2.62 1.01 -1.26 -3.81 120.40 120.71 2ens s VAL 34 Ca 0.98 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 2ens s VAL 34 Cb -1.36 -0.04 -0.19 0.00 0.00 0.00 0.00 36.38 34.78 2ens s VAL 34 CO 0.70 0.01 1.22 1.55 0.00 0.00 0.00 175.10 178.58 2ens h PRO 35 N 6.32 -0.07 0.00 2.72 0.13 -2.02 -3.40 132.00 135.68 2ens h PRO 35 Ca -0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 2ens h PRO 35 Cb 1.19 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2ens h PRO 35 CO 0.50 0.39 -1.17 0.00 -0.23 0.00 0.00 178.00 177.49 2ens n ALA 36 N -2.38 0.76 -3.61 -0.56 0.00 -1.26 -5.01 120.51 108.45 2ens n ALA 36 Ca -0.08 -0.65 -0.21 0.00 0.00 0.00 0.00 53.44 52.49 2ens n ALA 36 Cb 0.25 -0.09 0.06 0.00 0.00 0.00 0.00 19.45 19.67 2ens n ALA 36 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ens n GLN 37 N -4.47 -5.96 -1.95 0.00 7.27 -1.26 -4.83 117.38 106.17 2ens n GLN 37 Ca -0.23 0.73 -0.30 0.00 0.07 0.00 0.00 57.00 57.27 2ens n GLN 37 Cb 0.53 -5.55 -0.06 0.00 2.41 0.00 0.00 30.24 27.57 2ens n GLN 37 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2ens n PRO 38 N -4.34 1.59 -3.97 3.69 -0.04 -1.26 -4.29 135.00 126.37 2ens n PRO 38 Ca -0.23 -2.40 -0.26 0.00 -0.04 0.00 0.00 63.50 60.58 2ens n PRO 38 Cb 0.65 -3.63 -0.08 0.00 -0.04 0.00 0.00 33.50 30.40 2ens n PRO 38 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ens n SER 39 N 13.56 0.58 -2.54 3.54 2.88 -1.26 -4.90 113.62 125.48 2ens n SER 39 Ca 0.45 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 2ens n SER 39 Cb 0.46 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2ens n SER 39 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ens n PRO 40 N -3.92 -0.97 -3.96 -1.46 -0.04 -1.26 -5.03 135.00 118.37 2ens n PRO 40 Ca -0.26 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.90 2ens n PRO 40 Cb 0.56 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.88 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 -2.91 1.68 -0.27 0.54 -0.21 -1.20 -4.93 119.66 112.36 2ens s GLN 41 Ca 0.00 -2.22 -0.23 0.00 0.02 0.00 0.00 55.36 52.93 2ens s GLN 41 Cb 0.00 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.84 2ens s GLN 41 CO 0.00 -1.04 0.76 0.42 -2.12 0.00 0.00 175.29 173.31 2ens s ILE 42 N 0.32 4.86 -0.10 1.08 1.09 -1.26 -2.89 121.20 124.30 2ens s ILE 42 Ca 0.14 1.30 0.00 0.00 -1.10 0.00 0.00 60.65 61.00 2ens s ILE 42 Cb -0.23 -4.08 0.02 0.00 -1.06 0.00 0.00 42.46 37.11 2ens s ILE 42 CO -0.04 -0.12 -0.09 -1.00 -0.10 0.00 0.00 174.94 173.59 2ens s HIS 43 N 2.80 1.44 -0.32 3.97 3.76 -1.21 -3.81 115.29 121.91 2ens s HIS 43 Ca 0.32 -0.65 -0.19 0.00 -0.15 0.00 0.00 55.06 54.38 2ens s HIS 43 Cb -0.15 -1.16 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 2ens s HIS 43 CO 0.10 -0.43 0.56 -1.58 -0.85 0.00 0.00 174.74 172.54 2ens s TRP 44 N 1.37 3.20 0.08 1.40 0.52 -1.26 -0.31 118.94 123.95 2ens s TRP 44 Ca -0.01 0.41 -0.00 0.00 0.02 0.00 0.00 56.10 56.51 2ens s TRP 44 Cb -0.14 -2.93 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 2ens s TRP 44 CO -0.04 -0.48 0.24 -1.64 0.02 0.00 0.00 176.95 175.05 2ens s MET 45 N 2.48 3.47 -0.39 4.98 -1.94 -1.21 -3.44 119.30 123.25 2ens s MET 45 Ca 0.22 -0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 53.79 2ens s MET 45 Cb -0.15 -3.00 0.11 0.00 2.01 0.00 0.00 34.83 33.79 2ens s MET 45 CO 0.12 0.58 0.15 0.21 -0.01 0.00 0.00 175.02 176.07 2ens s LYS 46 N -2.63 1.80 -0.88 2.03 2.20 0.11 -4.09 119.74 118.29 2ens s LYS 46 Ca 0.36 -1.86 -0.02 0.00 -0.36 0.00 0.00 55.97 54.09 2ens s LYS 46 Cb -0.13 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2ens s LYS 46 CO 0.28 -1.02 0.08 -0.40 -0.36 0.00 0.00 175.35 173.93 2ens n ASP 47 N 4.42 -3.25 0.00 1.43 5.75 -1.21 -0.03 116.55 123.66 2ens n ASP 47 Ca 0.01 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2ens n ASP 47 Cb 0.41 -2.78 0.00 0.00 -1.03 0.00 0.00 41.12 37.72 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ens n GLY 48 N -0.80 2.71 3.60 6.12 0.00 -1.26 -5.05 105.19 110.51 2ens n GLY 48 Ca -0.09 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.79 4.96 0.61 1.61 0.11 0.95 -5.03 120.40 122.83 2ens s VAL 49 Ca 0.00 0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 59.72 2ens s VAL 49 Cb 0.00 -3.97 -0.02 0.00 -1.53 0.00 0.00 36.38 30.85 2ens s VAL 49 CO 0.00 -0.11 1.12 -2.16 -3.33 0.00 0.00 175.10 170.62 2ens s PRO 50 N 2.55 3.02 -0.01 1.54 0.04 -1.26 0.07 135.00 140.94 2ens s PRO 50 Ca 0.24 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2ens s PRO 50 Cb -0.15 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2ens s PRO 50 CO 0.11 -1.09 -0.03 -0.51 0.04 0.00 0.00 177.00 175.53 2ens s LEU 51 N -4.44 3.37 -0.94 -3.56 1.43 -1.22 -4.83 118.68 108.48 2ens s LEU 51 Ca 0.69 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.51 2ens s LEU 51 Cb -0.22 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2ens s LEU 51 CO 0.36 0.30 1.94 -2.16 0.23 0.00 0.00 176.35 177.02 2ens s PRO 52 N -1.37 2.55 0.06 1.29 0.04 -1.26 -4.89 135.00 131.42 2ens s PRO 52 Ca 0.17 -0.41 -0.17 0.00 0.04 0.00 0.00 61.00 60.63 2ens s PRO 52 Cb -0.11 -5.09 0.03 0.00 0.04 0.00 0.00 34.50 29.37 2ens s PRO 52 CO 0.08 -3.46 0.40 -0.51 0.04 0.00 0.00 177.00 173.55 2ens s LEU 53 N 10.21 0.44 0.27 -3.56 1.43 -1.26 -5.15 118.68 121.06 2ens s LEU 53 Ca 0.70 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 2ens s LEU 53 Cb -0.06 1.73 -0.10 0.00 0.03 0.00 0.00 46.19 47.80 2ens s LEU 53 CO 0.01 -0.70 1.25 -2.16 0.23 0.00 0.00 176.35 174.98 2ens s PRO 54 N -2.77 4.44 -0.25 1.29 0.04 -1.26 -4.96 135.00 131.54 2ens s PRO 54 Ca -0.03 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2ens s PRO 54 Cb -0.00 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 2ens s PRO 54 CO -0.04 -0.11 1.63 -1.25 0.04 0.00 0.00 177.00 177.27 2ens s PRO 55 N -1.10 3.72 -0.03 0.56 0.04 -1.26 -4.99 135.00 131.95 2ens s PRO 55 Ca 0.50 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 2ens s PRO 55 Cb -0.36 -4.06 0.01 0.00 0.04 0.00 0.00 34.50 30.13 2ens s PRO 55 CO 0.45 -1.39 0.14 0.45 0.04 0.00 0.00 177.00 176.68 2ens s SER 56 N 4.48 -0.06 0.00 6.66 0.15 -1.25 -4.75 113.70 118.93 2ens s SER 56 Ca 0.72 0.04 0.11 0.00 0.70 0.00 0.00 55.95 57.52 2ens s SER 56 Cb -0.24 0.25 0.65 0.00 -1.71 0.00 0.00 66.02 64.98 2ens s SER 56 CO 0.30 -0.20 1.09 -0.81 1.20 0.00 0.00 173.24 174.81 2ens n PRO 57 N 2.25 0.49 -3.45 5.44 -0.04 -1.26 -4.35 135.00 134.08 2ens n PRO 57 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 2ens n PRO 57 Cb 0.57 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.36 -0.20 0.52 1.01 -1.26 -0.74 120.40 117.38 2ens s VAL 58 Ca 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2ens s VAL 58 Cb 0.08 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2ens s VAL 58 CO 0.13 -0.35 -0.02 -0.22 0.00 0.00 0.00 175.10 174.64 2ens s LEU 59 N 2.34 3.15 -0.20 3.92 2.96 -0.09 -4.96 118.68 125.80 2ens s LEU 59 Ca 0.09 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2ens s LEU 59 Cb -0.15 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2ens s LEU 59 CO -0.23 0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.20 2ens s ILE 60 N 1.04 3.69 -0.94 6.68 1.09 -1.26 -0.14 121.20 131.37 2ens s ILE 60 Ca 0.01 -0.40 -0.02 0.00 -1.10 0.00 0.00 60.65 59.14 2ens s ILE 60 Cb -0.14 -2.66 0.24 0.00 -1.06 0.00 0.00 42.46 38.83 2ens s ILE 60 CO 0.01 0.43 0.91 -0.11 -0.10 0.00 0.00 174.94 176.08 2ens n LEU 61 N 4.37 4.62 -4.77 2.97 7.94 -0.69 -4.99 117.00 126.45 2ens n LEU 61 Ca -0.18 -5.15 -0.38 0.00 -1.11 0.00 0.00 56.01 49.19 2ens n LEU 61 Cb 0.52 -1.14 -0.02 0.00 0.53 0.00 0.00 43.42 43.30 2ens n LEU 61 CO 0.31 1.58 0.86 -2.16 -1.11 0.00 0.00 177.39 176.87 2ens s PRO 62 N -1.61 4.03 -1.00 1.96 0.04 -1.26 -3.42 135.00 133.74 2ens s PRO 62 Ca 0.30 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 2ens s PRO 62 Cb -0.05 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 2ens s PRO 62 CO -0.09 -0.36 0.86 0.39 0.04 0.00 0.00 177.00 177.84 2ens n GLU 63 N 0.06 -3.96 -2.00 4.56 1.02 0.55 -4.97 120.64 115.90 2ens n GLU 63 Ca 0.04 0.77 -0.34 0.00 -0.02 0.00 0.00 57.16 57.60 2ens n GLU 63 Cb 0.46 -5.44 0.03 0.00 -0.02 0.00 0.00 31.44 26.47 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 -3.33 3.04 0.00 -3.67 1.01 -0.69 -4.77 121.20 112.78 2ens s ILE 64 Ca 0.20 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2ens s ILE 64 Cb -0.03 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2ens s ILE 64 CO 0.65 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2ens n GLY 65 N 0.01 4.61 0.27 6.18 0.00 -1.26 0.76 105.19 115.76 2ens n GLY 65 Ca 0.12 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 0.94 0.00 1.61 0.13 -1.96 -2.90 132.00 129.82 2ens h PRO 66 Ca 0.00 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ens h PRO 66 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2ens h PRO 66 CO 0.00 1.15 0.00 -0.56 -0.23 0.00 0.00 178.00 178.36 2ens h GLN 67 N 0.77 0.00 0.02 0.86 -0.00 -2.00 -2.36 115.11 112.39 2ens h GLN 67 Ca 0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.50 2ens h GLN 67 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.45 2ens h GLN 67 CO 0.10 0.00 -0.94 -0.44 -0.00 0.00 0.00 178.83 177.54 2ens h ASP 68 N 0.00 0.19 -1.38 0.06 5.19 -1.91 -3.45 116.42 115.12 2ens h ASP 68 Ca 0.00 -0.17 -0.77 0.00 -0.62 0.00 0.00 57.03 55.47 2ens h ASP 68 Cb 0.34 -0.06 0.02 0.00 0.18 0.00 0.00 39.33 39.81 2ens h ASP 68 CO 0.00 1.03 0.71 0.00 -3.12 0.00 0.00 179.24 177.86 2ens n GLN 69 N -3.57 0.76 -3.84 3.56 6.02 -0.89 -4.80 117.38 114.62 2ens n GLN 69 Ca -0.03 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2ens n GLN 69 Cb 0.86 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 30.23 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 3.66 -1.58 3.84 1.08 0.00 -0.95 -4.99 105.19 106.24 2ens n GLY 70 Ca 0.26 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.83 4.97 -0.07 2.61 -4.23 -1.26 -0.44 115.64 114.39 2ens s THR 71 Ca 0.00 0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 61.30 2ens s THR 71 Cb 0.00 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.15 2ens s THR 71 CO 0.00 0.47 0.14 -0.31 -0.54 0.00 0.00 174.62 174.37 2ens s TYR 72 N -1.21 -0.14 -0.07 3.99 1.51 0.10 -3.35 117.35 118.19 2ens s TYR 72 Ca 0.29 0.51 -0.15 0.00 -1.01 0.00 0.00 57.07 56.71 2ens s TYR 72 Cb -0.16 -0.23 0.03 0.00 -0.11 0.00 0.00 41.96 41.49 2ens s TYR 72 CO 0.16 -0.22 0.35 0.45 -1.11 0.00 0.00 175.55 175.18 2ens s SER 73 N 1.88 -0.30 -0.25 2.29 0.15 -1.26 -1.99 113.70 114.23 2ens s SER 73 Ca -0.01 0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.78 2ens s SER 73 Cb -0.12 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2ens s SER 73 CO -0.05 -0.32 0.88 0.00 1.20 0.00 0.00 173.24 174.94 2ens s VAL 75 N 2.96 5.33 -0.03 0.00 1.01 0.58 -1.86 120.40 128.39 2ens s VAL 75 Ca 0.37 -2.83 -0.30 0.00 0.00 0.00 0.00 61.98 59.21 2ens s VAL 75 Cb -0.15 -4.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 2ens s VAL 75 CO 0.08 -1.47 1.15 0.00 0.00 0.00 0.00 175.10 174.85 2ens s ALA 76 N 0.73 3.42 -0.09 5.51 0.00 -1.22 -3.35 121.76 126.76 2ens s ALA 76 Ca 0.38 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.97 2ens s ALA 76 Cb -0.05 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2ens s ALA 76 CO -0.03 -0.61 -0.11 0.95 0.00 0.00 0.00 175.76 175.96 2ens s THR 77 N 1.81 1.19 0.19 0.00 -4.23 -1.14 -1.93 115.64 111.53 2ens s THR 77 Ca 0.55 -0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 60.46 2ens s THR 77 Cb -0.24 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.49 2ens s THR 77 CO 0.23 0.38 0.46 -1.38 -0.54 0.00 0.00 174.62 173.77 2ens s HIS 78 N 1.12 0.02 0.26 3.99 -3.43 -0.55 -3.24 115.29 113.45 2ens s HIS 78 Ca -0.06 -0.37 -0.03 0.00 -0.80 0.00 0.00 55.06 53.80 2ens s HIS 78 Cb -0.14 0.27 0.52 0.00 -1.43 0.00 0.00 32.58 31.80 2ens s HIS 78 CO -0.02 -0.87 1.68 0.77 -2.00 0.00 0.00 174.74 174.30 2ens h SER 79 N 2.29 0.03 -0.66 7.38 0.02 -1.97 0.51 113.55 121.15 2ens h SER 79 Ca -0.29 0.16 0.19 0.00 -0.84 0.00 0.00 61.79 61.00 2ens h SER 79 Cb 1.25 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 2ens h SER 79 CO 0.40 -0.06 0.64 -1.28 -1.14 0.00 0.00 176.83 175.40 2ens h SER 80 N 0.27 0.00 -2.25 3.07 0.87 -2.02 -3.41 113.55 110.08 2ens h SER 80 Ca 0.45 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 61.19 2ens h SER 80 Cb 0.80 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.44 2ens h SER 80 CO -0.54 0.00 0.74 -1.00 -0.53 0.00 0.00 176.83 175.50 2ens s HIS 81 N -4.66 -0.15 0.00 2.24 4.02 0.18 -5.15 115.29 111.77 2ens s HIS 81 Ca -0.04 0.33 0.00 0.00 1.02 0.00 0.00 55.06 56.37 2ens s HIS 81 Cb 0.17 0.30 0.00 0.00 -1.02 0.00 0.00 32.58 32.02 2ens s HIS 81 CO 0.59 -0.07 0.00 0.41 1.02 0.00 0.00 174.74 176.68 2ens n GLY 82 N 2.40 -3.09 3.59 -2.22 0.00 -1.22 -1.48 105.19 103.16 2ens n GLY 82 Ca -0.14 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 3.22 -0.39 1.61 0.04 -1.26 -3.80 135.00 134.43 2ens s PRO 83 Ca 0.00 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.24 2ens s PRO 83 Cb 0.00 -4.21 0.47 0.00 0.04 0.00 0.00 34.50 30.80 2ens s PRO 83 CO 0.00 -2.00 1.46 0.94 0.04 0.00 0.00 177.00 177.44 2ens n GLN 84 N 8.53 3.01 -1.57 4.56 7.27 -0.81 -4.81 117.38 133.57 2ens n GLN 84 Ca 0.21 -3.75 -0.61 0.00 0.07 0.00 0.00 57.00 52.92 2ens n GLN 84 Cb 0.48 -2.18 -0.09 0.00 2.41 0.00 0.00 30.24 30.86 2ens n GLN 84 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2ens n GLU 85 N -0.85 0.00 -0.71 3.69 2.13 -1.26 -4.35 120.64 119.29 2ens n GLU 85 Ca 0.46 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 58.10 2ens n GLU 85 Cb 0.90 -1.44 0.15 0.00 0.27 0.00 0.00 31.44 31.32 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 2.67 -1.48 -4.74 4.31 2.88 -0.77 -4.75 113.62 111.73 2ens n SER 86 Ca 0.25 -0.96 -0.42 0.00 -1.33 0.00 0.00 58.87 56.41 2ens n SER 86 Cb 0.01 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 62.82 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 -4.57 4.20 -0.01 -1.46 0.52 -1.26 -4.81 118.95 111.56 2ens s ARG 87 Ca 0.44 2.43 -0.30 0.00 -0.52 0.00 0.00 55.73 57.78 2ens s ARG 87 Cb -0.04 -3.08 -0.06 0.00 0.52 0.00 0.00 34.95 32.28 2ens s ARG 87 CO 0.34 -0.55 1.63 0.00 0.02 0.00 0.00 175.30 176.74 2ens s ALA 88 N 0.28 3.63 -0.35 2.13 0.00 -1.26 -4.63 121.76 121.56 2ens s ALA 88 Ca 0.64 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 2ens s ALA 88 Cb -0.45 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 18.97 2ens s ALA 88 CO 0.42 -1.26 0.19 0.08 0.00 0.00 0.00 175.76 175.19 2ens s VAL 89 N 3.46 4.65 -0.70 0.00 1.01 -0.84 -4.89 120.40 123.09 2ens s VAL 89 Ca 0.73 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2ens s VAL 89 Cb -0.35 -3.51 0.09 0.00 0.00 0.00 0.00 36.38 32.61 2ens s VAL 89 CO 0.30 -0.13 0.93 -0.94 0.00 0.00 0.00 175.10 175.27 2ens s SER 90 N 1.59 6.27 -0.22 3.32 1.04 -1.26 0.03 113.70 124.48 2ens s SER 90 Ca 0.03 -1.34 -0.29 0.00 0.48 0.00 0.00 55.95 54.83 2ens s SER 90 Cb -0.18 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.56 2ens s SER 90 CO 0.07 -1.27 1.03 -0.63 0.98 0.00 0.00 173.24 173.42 2ens s ILE 91 N 3.38 4.69 0.22 -1.02 -1.09 0.41 -4.76 121.20 123.05 2ens s ILE 91 Ca 0.21 2.02 0.09 0.00 -2.23 0.00 0.00 60.65 60.74 2ens s ILE 91 Cb -0.16 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.36 2ens s ILE 91 CO 0.05 -0.16 -0.16 -0.44 -1.23 0.00 0.00 174.94 173.00 2ens s SER 92 N 1.19 2.84 -0.07 3.58 0.01 -1.16 -2.24 113.70 117.86 2ens s SER 92 Ca 0.44 -1.02 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 2ens s SER 92 Cb -0.15 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 2ens s SER 92 CO 0.07 -0.11 0.47 -0.63 0.41 0.00 0.00 173.24 173.46 2ens s ILE 93 N -2.81 5.11 0.16 1.44 1.01 -1.26 -2.15 121.20 122.70 2ens s ILE 93 Ca 0.24 0.96 -0.26 0.00 0.00 0.00 0.00 60.65 61.60 2ens s ILE 93 Cb -0.02 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 2ens s ILE 93 CO 0.09 0.40 0.79 -0.63 0.00 0.00 0.00 174.94 175.59 2ens s ILE 94 N 0.12 4.38 -0.30 2.92 1.01 -1.01 -4.90 121.20 123.42 2ens s ILE 94 Ca 0.26 1.73 -0.20 0.00 0.00 0.00 0.00 60.65 62.44 2ens s ILE 94 Cb -0.16 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2ens s ILE 94 CO 0.12 0.50 0.60 -1.83 0.00 0.00 0.00 174.94 174.33 2ens s GLU 95 N -1.02 3.92 0.00 2.79 -1.05 -1.26 -4.43 118.70 117.65 2ens s GLU 95 Ca 0.37 0.28 0.16 0.00 -0.15 0.00 0.00 54.97 55.62 2ens s GLU 95 Cb -0.23 -3.72 0.94 0.00 -0.44 0.00 0.00 34.13 30.68 2ens s GLU 95 CO 0.26 -0.53 1.35 -0.35 0.95 0.00 0.00 175.26 176.95