#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d99 s SER 2 N 0.00 -0.24 0.35 1.61 0.15 -1.26 -4.86 113.70 109.45 2d99 s SER 2 Ca 0.00 -0.64 0.07 0.00 0.70 0.00 0.00 55.95 56.08 2d99 s SER 2 Cb 0.00 0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 64.98 2d99 s SER 2 CO 0.00 -1.28 0.40 -0.44 1.20 0.00 0.00 173.24 173.12 2d99 s SER 3 N -2.93 5.63 0.00 5.45 0.01 -1.26 -5.03 113.70 115.57 2d99 s SER 3 Ca 0.13 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2d99 s SER 3 Cb -0.05 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2d99 s SER 3 CO 0.06 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2d99 n GLY 4 N -1.55 -1.30 1.45 3.44 0.00 -1.26 -5.12 105.19 100.85 2d99 n GLY 4 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2d99 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d99 n SER 5 N 0.00 -7.96 -0.90 1.61 7.64 -1.26 -4.99 113.62 107.76 2d99 n SER 5 Ca 0.00 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.15 2d99 n SER 5 Cb 0.00 -4.31 -0.04 0.00 -1.01 0.00 0.00 64.21 58.84 2d99 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d99 n SER 6 N -0.93 -5.43 -0.29 6.43 7.64 -1.26 -4.98 113.62 114.80 2d99 n SER 6 Ca 0.00 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2d99 n SER 6 Cb 0.01 -2.90 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 2d99 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d99 n GLY 7 N -3.56 -3.09 0.09 0.23 0.00 -1.26 -4.17 105.19 93.42 2d99 n GLY 7 Ca -0.02 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 2d99 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d99 n LEU 8 N -1.53 1.87 0.24 0.99 4.77 -1.26 -3.21 117.00 118.87 2d99 n LEU 8 Ca 0.00 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.56 2d99 n LEU 8 Cb 0.07 -0.83 0.58 0.00 -2.33 0.00 0.00 43.42 40.90 2d99 n LEU 8 CO 0.00 -0.22 0.88 -0.09 -1.33 0.00 0.00 177.39 176.63 2d99 h ARG 9 N -1.00 0.00 0.02 3.23 1.12 -1.93 -2.05 114.38 113.78 2d99 h ARG 9 Ca -0.11 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.53 2d99 h ARG 9 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.84 2d99 h ARG 9 CO -0.07 0.20 -1.00 -0.22 -3.11 0.00 0.00 179.97 175.78 2d99 h LYS 10 N 0.00 0.41 0.66 0.20 1.63 -1.85 -2.07 116.57 115.54 2d99 h LYS 10 Ca -0.00 -0.47 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 2d99 h LYS 10 Cb 0.50 0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2d99 h LYS 10 CO 0.03 1.14 -0.32 0.52 -3.45 0.00 0.00 179.45 177.37 2d99 h MET 11 N 0.22 -0.85 -0.62 1.90 2.86 -1.37 -3.02 114.93 114.05 2d99 h MET 11 Ca -0.09 0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 2d99 h MET 11 Cb 1.65 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 33.47 2d99 h MET 11 CO 0.17 -0.57 0.41 -0.24 1.06 0.00 0.00 176.91 177.75 2d99 h VAL 12 N -1.10 0.90 -0.63 -2.22 3.04 -1.52 -1.38 116.25 113.35 2d99 h VAL 12 Ca -0.09 -0.15 0.12 0.00 -1.01 0.00 0.00 66.70 65.57 2d99 h VAL 12 Cb 0.68 0.42 -0.12 0.00 -2.01 0.00 0.00 31.29 30.26 2d99 h VAL 12 CO 0.15 0.08 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.29 2d99 h GLU 13 N 0.44 -0.02 -0.20 4.17 4.39 -1.25 -0.19 114.58 121.94 2d99 h GLU 13 Ca 0.28 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 2d99 h GLU 13 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2d99 h GLU 13 CO -0.08 -0.01 -0.37 1.05 -1.16 0.00 0.00 179.01 178.43 2d99 h GLU 14 N -0.02 0.60 0.00 2.33 4.11 -1.17 -3.08 114.58 117.35 2d99 h GLU 14 Ca 0.30 -0.38 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2d99 h GLU 14 Cb 0.47 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2d99 h GLU 14 CO -0.65 1.00 0.00 0.28 0.07 0.00 0.00 179.01 179.70 2d99 n VAL 15 N -4.27 0.00 -0.37 -1.06 0.31 -0.21 0.20 118.33 112.93 2d99 n VAL 15 Ca -0.06 1.46 0.29 0.00 -0.01 0.00 0.00 64.34 66.02 2d99 n VAL 15 Cb 0.52 -2.03 0.57 0.00 -0.91 0.00 0.00 33.84 31.99 2d99 n VAL 15 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2d99 h PHE 16 N 0.00 0.60 0.42 3.52 0.04 -1.30 0.12 116.94 120.33 2d99 h PHE 16 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2d99 h PHE 16 Cb 0.00 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2d99 h PHE 16 CO -0.72 -0.06 -0.20 -0.44 -0.60 0.00 0.00 178.31 176.29 2d99 h ASP 17 N 0.26 -0.47 -0.52 2.17 5.19 -0.06 -1.77 116.42 121.23 2d99 h ASP 17 Ca 0.69 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 57.17 2d99 h ASP 17 Cb 1.95 0.12 -0.08 0.00 0.18 0.00 0.00 39.33 41.51 2d99 h ASP 17 CO -0.35 -0.20 -0.47 0.58 -3.12 0.00 0.00 179.24 175.68 2d99 h VAL 18 N -0.85 0.00 -0.35 -1.35 2.07 0.38 0.32 116.25 116.47 2d99 h VAL 18 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2d99 h VAL 18 Cb 0.43 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2d99 h VAL 18 CO 0.09 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.31 2d99 h LEU 19 N -0.21 -1.07 -0.83 2.57 3.38 -0.92 0.74 115.31 118.96 2d99 h LEU 19 Ca 0.09 0.15 0.17 0.00 0.09 0.00 0.00 57.88 58.38 2d99 h LEU 19 Cb 0.44 0.46 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 2d99 h LEU 19 CO -0.60 -0.18 -0.16 0.22 0.09 0.00 0.00 178.44 177.82 2d99 h TYR 20 N -0.12 -0.36 -0.89 1.13 3.20 -0.31 0.80 116.97 120.41 2d99 h TYR 20 Ca 0.06 0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.01 2d99 h TYR 20 Cb 0.28 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2d99 h TYR 20 CO -0.80 -0.34 0.59 0.77 -1.64 0.00 0.00 178.16 176.73 2d99 h SER 21 N 0.01 1.03 -0.34 -2.11 0.02 0.22 0.50 113.55 112.89 2d99 h SER 21 Ca 0.41 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2d99 h SER 21 Cb 0.66 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2d99 h SER 21 CO -0.83 0.76 0.21 -0.33 -1.14 0.00 0.00 176.83 175.50 2d99 h GLU 22 N 1.22 0.45 -0.28 3.45 5.08 0.66 1.04 114.58 126.20 2d99 h GLU 22 Ca 0.33 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 2d99 h GLU 22 Cb -0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2d99 h GLU 22 CO -0.07 0.33 -0.31 0.00 -1.00 0.00 0.00 179.01 177.96 2d99 h ALA 23 N 1.10 0.94 0.00 3.43 0.00 -0.09 -2.12 119.26 122.52 2d99 h ALA 23 Ca 0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2d99 h ALA 23 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2d99 h ALA 23 CO -0.02 0.61 -0.17 -0.07 0.00 0.00 0.00 179.25 179.60 2d99 h LEU 24 N 0.50 0.00 -1.52 0.00 3.38 0.60 -3.48 115.31 114.79 2d99 h LEU 24 Ca 0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 2d99 h LEU 24 Cb 0.78 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.66 2d99 h LEU 24 CO 0.06 0.17 -0.57 0.61 0.09 0.00 0.00 178.44 178.80 2d99 n GLY 25 N 0.45 -0.17 4.01 0.83 0.00 0.35 -4.69 105.19 105.97 2d99 n GLY 25 Ca 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2d99 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d99 s ARG 26 N -5.28 2.55 -0.20 1.61 1.81 -0.76 -3.87 118.95 114.81 2d99 s ARG 26 Ca 0.11 -1.47 -0.15 0.00 -1.72 0.00 0.00 55.73 52.50 2d99 s ARG 26 Cb -0.05 -2.66 -0.20 0.00 -0.45 0.00 0.00 34.95 31.60 2d99 s ARG 26 CO 0.56 -0.55 0.12 0.00 -0.68 0.00 0.00 175.30 174.75 2d99 n ALA 27 N -2.00 0.93 -2.41 2.13 0.00 -1.26 -4.79 120.51 113.11 2d99 n ALA 27 Ca 0.11 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.65 2d99 n ALA 27 Cb 0.61 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2d99 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2d99 s SER 28 N -6.99 5.97 -0.58 0.00 0.01 -1.26 -4.42 113.70 106.43 2d99 s SER 28 Ca -0.29 0.35 -0.21 0.00 1.31 0.00 0.00 55.95 57.10 2d99 s SER 28 Cb 0.08 -1.68 0.07 0.00 0.21 0.00 0.00 66.02 64.69 2d99 s SER 28 CO 0.62 -0.59 0.82 -0.69 0.41 0.00 0.00 173.24 173.81 2d99 s VAL 29 N -2.50 4.58 0.51 3.43 1.01 -1.26 -4.89 120.40 121.29 2d99 s VAL 29 Ca 0.46 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 2d99 s VAL 29 Cb -0.10 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 2d99 s VAL 29 CO 0.38 -1.14 0.89 0.68 0.00 0.00 0.00 175.10 175.91 2d99 s VAL 30 N 3.40 4.76 1.08 2.92 -7.23 -1.26 -4.95 120.40 119.12 2d99 s VAL 30 Ca 0.20 0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 60.86 2d99 s VAL 30 Cb -0.18 -3.82 0.25 0.00 0.56 0.00 0.00 36.38 33.19 2d99 s VAL 30 CO 0.12 -0.85 1.22 -2.16 -0.31 0.00 0.00 175.10 173.12 2d99 s PRO 31 N -4.59 -0.31 -0.36 4.82 0.04 -1.26 -4.70 135.00 128.64 2d99 s PRO 31 Ca 0.52 -0.26 0.03 0.00 0.04 0.00 0.00 61.00 61.33 2d99 s PRO 31 Cb -0.10 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.82 2d99 s PRO 31 CO 0.43 -3.07 0.08 -1.17 0.04 0.00 0.00 177.00 173.31 2d99 s LEU 32 N -6.41 4.34 -1.18 -3.56 2.96 -1.26 -4.97 118.68 108.59 2d99 s LEU 32 Ca 0.73 -2.19 -0.19 0.00 -0.22 0.00 0.00 54.13 52.25 2d99 s LEU 32 Cb -0.06 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2d99 s LEU 32 CO 0.54 -0.37 1.94 -0.81 -1.32 0.00 0.00 176.35 176.34 2d99 n PRO 33 N 4.19 2.31 -0.19 0.98 -0.04 -1.26 -4.76 135.00 136.24 2d99 n PRO 33 Ca 0.03 -2.59 -0.01 0.00 -0.04 0.00 0.00 63.50 60.89 2d99 n PRO 33 Cb 0.41 -3.39 0.06 0.00 -0.04 0.00 0.00 33.50 30.55 2d99 n PRO 33 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2d99 h TYR 34 N 7.88 -0.20 -1.56 0.54 0.05 -1.97 0.47 116.97 122.18 2d99 h TYR 34 Ca 0.41 0.05 0.45 0.00 0.05 0.00 0.00 58.73 59.69 2d99 h TYR 34 Cb 0.79 0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.64 2d99 h TYR 34 CO 1.33 -0.21 1.12 1.05 -1.05 0.00 0.00 178.16 180.41 2d99 h GLU 35 N 0.04 0.01 0.00 4.88 4.11 -1.98 1.53 114.58 123.17 2d99 h GLU 35 Ca 0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2d99 h GLU 35 Cb 0.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2d99 h GLU 35 CO -0.55 0.00 -0.19 0.54 0.07 0.00 0.00 179.01 178.89 2d99 n ARG 36 N -4.08 0.14 -0.33 1.06 1.74 0.14 -3.67 116.66 111.67 2d99 n ARG 36 Ca 0.35 0.26 0.24 0.00 -0.77 0.00 0.00 57.85 57.93 2d99 n ARG 36 Cb 1.61 -0.97 0.47 0.00 -1.02 0.00 0.00 32.46 32.56 2d99 n ARG 36 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2d99 h LEU 37 N -0.30 0.43 -0.41 0.55 3.38 -0.38 1.25 115.31 119.82 2d99 h LEU 37 Ca 0.00 0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2d99 h LEU 37 Cb 0.19 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2d99 h LEU 37 CO 0.00 -0.19 0.21 -0.07 0.09 0.00 0.00 178.44 178.48 2d99 h LEU 38 N 0.26 0.31 -0.10 1.67 3.38 0.20 -2.45 115.31 118.58 2d99 h LEU 38 Ca 0.73 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.74 2d99 h LEU 38 Cb 1.71 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2d99 h LEU 38 CO -0.64 0.22 0.00 -0.09 0.09 0.00 0.00 178.44 178.02 2d99 h ARG 39 N 0.42 0.04 -4.41 1.13 2.43 0.14 -3.36 114.38 110.77 2d99 h ARG 39 Ca 0.18 -0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.62 2d99 h ARG 39 Cb 0.08 -0.01 -0.28 0.00 -0.42 0.00 0.00 29.97 29.34 2d99 h ARG 39 CO -0.12 0.02 -0.44 -1.21 -1.51 0.00 0.00 179.97 176.71 2d99 s GLU 40 N -6.19 2.59 0.18 0.20 0.41 -0.37 -4.93 118.70 110.59 2d99 s GLU 40 Ca -0.13 -1.52 0.02 0.00 -0.41 0.00 0.00 54.97 52.93 2d99 s GLU 40 Cb 0.08 -3.83 0.05 0.00 -1.78 0.00 0.00 34.13 28.65 2d99 s GLU 40 CO 0.67 -1.01 1.42 -1.00 -0.49 0.00 0.00 175.26 174.85 2d99 h PRO 41 N 8.43 0.22 -0.49 0.39 0.13 -1.72 -3.20 132.00 135.78 2d99 h PRO 41 Ca -0.23 -0.22 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2d99 h PRO 41 Cb 1.08 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2d99 h PRO 41 CO 0.79 0.92 -0.09 0.78 -0.23 0.00 0.00 178.00 180.17 2d99 h GLY 42 N 1.71 0.95 0.37 1.56 0.00 -1.91 -2.69 103.07 103.07 2d99 h GLY 42 Ca -0.04 -0.72 0.12 0.00 0.00 0.00 0.00 47.33 46.69 2d99 h GLY 42 CO 0.13 0.66 0.43 -2.00 0.00 0.00 0.00 176.54 175.76 2d99 h LEU 43 N 0.79 0.57 -6.56 3.11 5.85 -1.89 -3.22 115.31 113.95 2d99 h LEU 43 Ca 0.13 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2d99 h LEU 43 Cb 0.60 -0.03 -0.21 0.00 0.37 0.00 0.00 40.66 41.39 2d99 h LEU 43 CO 0.04 0.29 -0.10 -0.22 -0.34 0.00 0.00 178.44 178.11 2d99 s LEU 44 N -10.32 -1.08 -0.16 2.25 2.96 -1.05 -2.12 118.68 109.15 2d99 s LEU 44 Ca -0.12 1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.91 2d99 s LEU 44 Cb 0.20 2.10 -0.03 0.00 0.50 0.00 0.00 46.19 48.97 2d99 s LEU 44 CO 0.78 -0.21 -0.03 0.00 -1.32 0.00 0.00 176.35 175.57 2d99 s ALA 45 N 2.82 3.00 -0.22 5.97 0.00 0.29 -4.63 121.76 128.99 2d99 s ALA 45 Ca 0.03 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 2d99 s ALA 45 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 2d99 s ALA 45 CO -0.19 0.15 0.65 0.08 0.00 0.00 0.00 175.76 176.46 2d99 s VAL 46 N 0.47 4.98 0.36 0.00 1.01 -1.26 -1.26 120.40 124.70 2d99 s VAL 46 Ca -0.03 1.21 0.08 0.00 0.00 0.00 0.00 61.98 63.25 2d99 s VAL 46 Cb -0.14 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 2d99 s VAL 46 CO 0.03 0.06 -0.06 -1.10 0.00 0.00 0.00 175.10 174.03 2d99 s GLN 47 N 2.24 1.83 -1.27 2.72 -1.52 -0.11 -4.72 119.66 118.84 2d99 s GLN 47 Ca 0.29 -1.98 -0.01 0.00 -1.95 0.00 0.00 55.36 51.71 2d99 s GLN 47 Cb -0.16 -1.61 0.00 0.00 -0.22 0.00 0.00 33.01 31.02 2d99 s GLN 47 CO 0.09 0.06 0.08 0.41 -0.25 0.00 0.00 175.29 175.69 2d99 n GLY 48 N -0.83 -0.25 3.79 3.09 0.00 -1.26 0.48 105.19 110.21 2d99 n GLY 48 Ca -0.05 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2d99 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d99 s LEU 49 N -4.50 2.41 -0.65 0.99 1.43 -1.26 -0.35 118.68 116.75 2d99 s LEU 49 Ca 0.04 1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 54.13 2d99 s LEU 49 Cb -0.02 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.43 2d99 s LEU 49 CO 0.05 -2.21 1.55 -2.16 0.23 0.00 0.00 176.35 173.81 2d99 s PRO 50 N -5.15 2.98 0.21 1.29 0.04 -1.26 -4.89 135.00 128.23 2d99 s PRO 50 Ca 0.62 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.79 2d99 s PRO 50 Cb -0.15 -4.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.05 2d99 s PRO 50 CO 0.54 -2.34 0.08 -0.85 0.04 0.00 0.00 177.00 174.47 2d99 n GLU 51 N 9.16 0.00 -2.76 4.56 0.28 -1.26 -2.98 120.64 127.64 2d99 n GLU 51 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.04 2d99 n GLU 51 Cb 0.50 -0.57 0.03 0.00 1.43 0.00 0.00 31.44 32.84 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d99 n GLY 52 N 1.30 0.27 0.00 -1.84 0.00 -1.26 -5.03 105.19 98.63 2d99 n GLY 52 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2d99 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d99 n LEU 53 N -2.23 0.00 -3.69 0.99 4.77 -1.16 -5.09 117.00 110.59 2d99 n LEU 53 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 2d99 n LEU 53 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2d99 n LEU 53 CO 0.24 0.00 0.18 0.00 -1.33 0.00 0.00 177.39 176.48 2d99 s ALA 54 N -1.19 -1.28 -0.18 -1.18 0.00 -1.26 -5.04 121.76 111.63 2d99 s ALA 54 Ca 0.00 1.56 -0.28 0.00 0.00 0.00 0.00 51.96 53.24 2d99 s ALA 54 Cb 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 2d99 s ALA 54 CO 0.00 -0.26 2.17 0.12 0.00 0.00 0.00 175.76 177.79 2d99 s PHE 55 N 0.66 1.20 0.24 0.00 5.36 -1.26 -4.89 117.98 119.29 2d99 s PHE 55 Ca -0.03 0.38 -0.21 0.00 -0.96 0.00 0.00 56.93 56.10 2d99 s PHE 55 Cb -0.05 -3.98 0.06 0.00 -0.34 0.00 0.00 43.02 38.71 2d99 s PHE 55 CO -0.04 -4.31 0.90 -0.98 -1.46 0.00 0.00 175.22 169.33 2d99 s ARG 56 N 6.03 1.57 0.45 10.12 1.70 -1.26 -5.04 118.95 132.52 2d99 s ARG 56 Ca 0.98 -0.94 -0.22 0.00 -0.47 0.00 0.00 55.73 55.08 2d99 s ARG 56 Cb -0.34 0.48 -0.12 0.00 -0.57 0.00 0.00 34.95 34.40 2d99 s ARG 56 CO 0.36 -0.73 0.55 0.54 -1.08 0.00 0.00 175.30 174.94 2d99 n ARG 57 N -0.54 0.59 0.06 3.89 5.12 -1.26 -4.84 116.66 119.68 2d99 n ARG 57 Ca -0.05 0.22 0.12 0.00 -1.93 0.00 0.00 57.85 56.20 2d99 n ARG 57 Cb 0.60 -1.55 0.46 0.00 -1.16 0.00 0.00 32.46 30.81 2d99 n ARG 57 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2d99 n PRO 58 N 0.50 0.12 0.03 5.56 -0.04 -1.26 -2.11 135.00 137.79 2d99 n PRO 58 Ca 0.11 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2d99 n PRO 58 Cb 0.41 -1.68 0.18 0.00 -0.04 0.00 0.00 33.50 32.36 2d99 n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d99 n ALA 59 N -1.65 3.31 0.68 0.55 0.00 -1.26 -3.62 120.51 118.52 2d99 n ALA 59 Ca 0.04 -0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.27 2d99 n ALA 59 Cb 0.30 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 2d99 n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d99 n GLU 60 N -1.80 0.21 -1.53 0.00 1.02 -0.90 -4.96 120.64 112.68 2d99 n GLU 60 Ca 0.04 -0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2d99 n GLU 60 Cb 0.39 -1.53 0.12 0.00 -0.02 0.00 0.00 31.44 30.40 2d99 n GLU 60 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2d99 s TYR 61 N -3.16 2.63 0.73 -0.32 2.02 -1.11 -5.02 117.35 113.13 2d99 s TYR 61 Ca 0.04 0.98 -0.08 0.00 -0.37 0.00 0.00 57.07 57.64 2d99 s TYR 61 Cb 0.15 -3.28 0.16 0.00 -0.40 0.00 0.00 41.96 38.59 2d99 s TYR 61 CO 0.85 -2.14 0.99 -0.25 -1.57 0.00 0.00 175.55 173.43 2d99 n ASP 62 N -3.64 0.55 -0.01 2.29 8.00 -1.26 -4.94 116.55 117.55 2d99 n ASP 62 Ca 0.07 -1.65 -0.11 0.00 0.71 0.00 0.00 54.79 53.80 2d99 n ASP 62 Cb 0.58 -0.72 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 2d99 n ASP 62 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2d99 h PRO 63 N 0.00 -0.09 0.00 -0.24 0.13 -1.98 -2.87 132.00 126.95 2d99 h PRO 63 Ca -0.32 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2d99 h PRO 63 Cb 1.01 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2d99 h PRO 63 CO 0.27 0.50 -0.14 0.87 -0.23 0.00 0.00 178.00 179.27 2d99 h LYS 64 N -0.83 0.00 0.75 0.86 6.56 -1.99 -2.93 116.57 118.98 2d99 h LYS 64 Ca -0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 2d99 h LYS 64 Cb 0.62 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.29 2d99 h LYS 64 CO 0.02 0.14 -0.36 0.00 -2.06 0.00 0.00 179.45 177.19 2d99 h ALA 65 N 1.86 -1.13 -0.87 3.86 0.00 -1.94 0.15 119.26 121.19 2d99 h ALA 65 Ca -0.00 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 54.92 2d99 h ALA 65 Cb 0.40 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 2d99 h ALA 65 CO 0.02 -1.06 0.21 -0.07 0.00 0.00 0.00 179.25 178.35 2d99 h LEU 66 N -1.12 -0.04 -1.38 0.00 3.38 -1.36 1.77 115.31 116.56 2d99 h LEU 66 Ca -0.10 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2d99 h LEU 66 Cb 0.77 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2d99 h LEU 66 CO 0.17 -0.17 -0.27 0.24 0.09 0.00 0.00 178.44 178.50 2d99 h MET 67 N 0.19 0.06 0.00 1.13 2.86 -1.34 -0.04 114.93 117.80 2d99 h MET 67 Ca 0.54 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 2d99 h MET 67 Cb 1.09 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2d99 h MET 67 CO -0.67 0.33 -0.15 0.00 1.06 0.00 0.00 176.91 177.49 2d99 h ALA 68 N 1.67 0.93 0.19 6.32 0.00 0.52 -2.41 119.26 126.47 2d99 h ALA 68 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 2d99 h ALA 68 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.33 2d99 h ALA 68 CO 0.04 0.00 -1.14 0.82 0.00 0.00 0.00 179.25 178.96 2d99 h ILE 69 N 0.00 1.37 0.00 0.00 2.04 0.18 0.13 117.51 121.23 2d99 h ILE 69 Ca 0.00 -2.59 -0.06 0.00 1.00 0.00 0.00 64.86 63.21 2d99 h ILE 69 Cb 1.00 3.10 -0.01 0.00 -0.74 0.00 0.00 36.82 40.17 2d99 h ILE 69 CO 0.00 0.76 -0.29 -0.07 0.00 0.00 0.00 178.15 178.54 2d99 h LEU 70 N -0.15 0.00 0.03 1.44 3.38 -1.09 1.54 115.31 120.46 2d99 h LEU 70 Ca -0.20 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.48 2d99 h LEU 70 Cb 1.87 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.58 2d99 h LEU 70 CO 0.20 0.29 -1.58 -0.33 0.09 0.00 0.00 178.44 177.11 2d99 h GLU 71 N 0.00 0.06 0.00 1.13 5.08 -1.46 -3.32 114.58 116.07 2d99 h GLU 71 Ca -0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2d99 h GLU 71 Cb 0.77 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2d99 h GLU 71 CO 0.04 0.75 -0.72 0.72 -1.00 0.00 0.00 179.01 178.80 2d99 n HIS 72 N -3.20 0.07 -0.28 4.33 8.25 0.44 -4.09 115.22 120.73 2d99 n HIS 72 Ca -0.15 0.02 0.34 0.00 -0.26 0.00 0.00 57.72 57.67 2d99 n HIS 72 Cb 1.03 -0.24 0.73 0.00 1.12 0.00 0.00 29.99 32.63 2d99 n HIS 72 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2d99 h SER 73 N 0.00 0.00 0.00 0.41 4.64 0.21 1.57 113.55 120.38 2d99 h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2d99 h SER 73 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2d99 h SER 73 CO 0.00 0.00 0.12 1.12 -0.87 0.00 0.00 176.83 177.20 2d99 h HIS 74 N 0.00 0.00 0.00 4.77 2.07 -1.81 -2.00 115.15 118.18 2d99 h HIS 74 Ca 0.53 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.86 2d99 h HIS 74 Cb 2.23 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 32.18 2d99 h HIS 74 CO 0.00 0.00 -1.73 0.54 -3.07 0.00 0.00 177.93 173.67 2d99 n ARG 75 N -2.66 0.73 -1.70 5.12 1.74 0.53 -4.99 116.66 115.43 2d99 n ARG 75 Ca -0.02 0.06 -0.64 0.00 -0.77 0.00 0.00 57.85 56.48 2d99 n ARG 75 Cb 0.16 -1.26 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 2d99 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2d99 n ILE 76 N -2.78 0.06 -3.73 0.55 5.41 0.53 -4.36 119.36 115.05 2d99 n ILE 76 Ca -0.22 -0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.39 2d99 n ILE 76 Cb 0.76 -0.58 -0.14 0.00 -0.71 0.00 0.00 39.64 38.97 2d99 n ILE 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2d99 s ARG 77 N 2.51 0.11 0.42 0.38 1.81 0.18 -4.94 118.95 119.42 2d99 s ARG 77 Ca 1.01 0.46 -0.18 0.00 -1.72 0.00 0.00 55.73 55.30 2d99 s ARG 77 Cb -1.35 -0.17 -0.09 0.00 -0.45 0.00 0.00 34.95 32.88 2d99 s ARG 77 CO 0.73 -0.19 0.88 -0.06 -0.68 0.00 0.00 175.30 175.98 2d99 s PHE 78 N 1.43 3.37 -0.13 -0.53 0.40 -1.26 -0.93 117.98 120.33 2d99 s PHE 78 Ca -0.07 1.43 -0.02 0.00 -0.60 0.00 0.00 56.93 57.67 2d99 s PHE 78 Cb -0.11 -2.72 0.04 0.00 0.51 0.00 0.00 43.02 40.74 2d99 s PHE 78 CO -0.07 -0.10 0.01 0.15 0.70 0.00 0.00 175.22 175.91 2d99 s LYS 79 N -3.35 0.73 0.22 0.44 -0.14 -0.39 -4.91 119.74 112.34 2d99 s LYS 79 Ca 0.58 -0.15 -0.07 0.00 -1.36 0.00 0.00 55.97 54.97 2d99 s LYS 79 Cb -0.10 -1.50 -0.06 0.00 -1.68 0.00 0.00 37.83 34.49 2d99 s LYS 79 CO 0.19 -0.43 0.50 -0.51 -0.76 0.00 0.00 175.35 174.34 2d99 s LEU 80 N 1.89 4.17 1.07 3.17 1.43 -1.26 -0.55 118.68 128.60 2d99 s LEU 80 Ca 0.03 0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 53.74 2d99 s LEU 80 Cb -0.14 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2d99 s LEU 80 CO -0.07 -0.06 0.06 2.29 0.23 0.00 0.00 176.35 178.80 2d99 n LYS 81 N -0.24 -1.90 -1.38 1.70 2.85 -0.90 -4.70 118.16 113.58 2d99 n LYS 81 Ca -0.01 -0.55 -0.51 0.00 -1.05 0.00 0.00 58.31 56.19 2d99 n LYS 81 Cb 0.52 -1.54 -0.06 0.00 -0.65 0.00 0.00 35.03 33.31 2d99 n LYS 81 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2d99 n ARG 82 N -1.68 0.00 -1.79 -1.58 0.63 -1.26 -4.89 116.66 106.09 2d99 n ARG 82 Ca 0.03 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.65 2d99 n ARG 82 Cb 0.50 -1.21 0.03 0.00 0.45 0.00 0.00 32.46 32.23 2d99 n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2d99 s PRO 83 N -0.41 3.14 0.00 -0.14 0.04 -1.26 -5.03 135.00 131.33 2d99 s PRO 83 Ca 0.75 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2d99 s PRO 83 Cb -1.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2d99 s PRO 83 CO 0.53 -0.95 0.00 0.45 0.04 0.00 0.00 177.00 177.08 2d99 n SER 84 N -2.65 0.00 -1.22 6.66 2.88 -1.26 -5.12 113.62 112.91 2d99 n SER 84 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2d99 n SER 84 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2d99 n SER 84 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d99 n SER 85 N 0.00 -6.57 0.00 -3.46 2.88 -1.26 -5.11 113.62 100.10 2d99 n SER 85 Ca 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 2d99 n SER 85 Cb 0.00 -2.90 0.00 0.00 -0.75 0.00 0.00 64.21 60.56 2d99 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d99 n GLY 86 N 0.33 2.26 2.94 0.46 0.00 -1.26 -5.17 105.19 104.75 2d99 n GLY 86 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 2d99 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d99 n PRO 87 N -0.48 -1.87 0.08 1.61 -0.04 -1.26 -5.05 135.00 127.98 2d99 n PRO 87 Ca 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2d99 n PRO 87 Cb 0.00 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2d99 n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d99 n SER 88 N -4.09 0.35 -2.41 3.54 2.88 -1.25 -4.46 113.62 108.18 2d99 n SER 88 Ca 0.13 0.27 -0.01 0.00 -1.33 0.00 0.00 58.87 57.92 2d99 n SER 88 Cb 0.47 0.05 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 2d99 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d99 n SER 89 N -3.35 -7.75 0.00 -3.46 2.88 -1.26 -4.26 113.62 96.42 2d99 n SER 89 Ca 0.00 1.78 0.00 0.00 -1.33 0.00 0.00 58.87 59.32 2d99 n SER 89 Cb 0.05 -5.26 0.00 0.00 -0.75 0.00 0.00 64.21 58.25 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42