#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d99 n SER 2 N 0.00 -6.50 -3.99 1.61 3.41 -1.26 -5.02 113.62 101.86 2d99 n SER 2 Ca 0.00 0.82 -0.09 0.00 -0.26 0.00 0.00 58.87 59.34 2d99 n SER 2 Cb 0.00 -2.59 -0.08 0.00 -0.26 0.00 0.00 64.21 61.28 2d99 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d99 s SER 3 N -0.83 0.13 -0.18 4.04 0.01 -1.26 -5.15 113.70 110.46 2d99 s SER 3 Ca -0.03 -0.92 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 2d99 s SER 3 Cb 0.00 0.38 0.09 0.00 0.21 0.00 0.00 66.02 66.70 2d99 s SER 3 CO 0.22 -0.82 0.28 -0.83 0.41 0.00 0.00 173.24 172.50 2d99 s GLY 4 N -2.97 -0.15 0.01 3.44 0.00 -1.26 -5.15 107.32 101.24 2d99 s GLY 4 Ca 0.17 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2d99 s GLY 4 CO -0.01 2.21 0.01 -1.26 0.00 0.00 0.00 173.10 174.04 2d99 n SER 5 N 5.34 0.16 -3.87 1.64 2.88 -1.26 -5.19 113.62 113.33 2d99 n SER 5 Ca -0.05 -1.05 -0.14 0.00 -1.33 0.00 0.00 58.87 56.29 2d99 n SER 5 Cb 0.50 0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 2d99 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d99 s SER 6 N -1.05 0.65 0.00 -3.46 0.01 -1.26 -5.05 113.70 103.54 2d99 s SER 6 Ca 0.01 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.79 2d99 s SER 6 Cb 0.00 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2d99 s SER 6 CO 0.01 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.31 2d99 n GLY 7 N -0.40 1.41 0.10 3.44 0.00 -1.26 -4.53 105.19 103.95 2d99 n GLY 7 Ca 0.03 -2.08 -0.17 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 1.88 0.10 0.99 4.77 -1.26 -3.60 117.00 119.89 2d99 n LEU 8 Ca 0.00 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.45 2d99 n LEU 8 Cb 0.00 -0.87 0.41 0.00 -2.33 0.00 0.00 43.42 40.63 2d99 n LEU 8 CO 0.00 0.05 0.95 -0.09 -1.33 0.00 0.00 177.39 176.97 2d99 h ARG 9 N -1.00 0.29 -0.02 3.23 2.43 -1.91 -0.94 114.38 116.46 2d99 h ARG 9 Ca -0.28 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.75 2d99 h ARG 9 Cb 1.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2d99 h ARG 9 CO -0.17 0.36 -0.42 -0.22 -1.51 0.00 0.00 179.97 178.01 2d99 h LYS 10 N 0.28 0.04 0.08 0.20 1.63 -1.80 0.13 116.57 117.13 2d99 h LYS 10 Ca 0.06 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2d99 h LYS 10 Cb 0.27 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2d99 h LYS 10 CO 0.01 0.46 -0.04 0.52 -3.45 0.00 0.00 179.45 176.95 2d99 h MET 11 N 0.04 -0.10 0.00 1.90 2.86 -1.25 -3.00 114.93 115.38 2d99 h MET 11 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2d99 h MET 11 Cb 0.76 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2d99 h MET 11 CO 0.06 0.35 0.00 -0.24 1.06 0.00 0.00 176.91 178.14 2d99 h VAL 12 N -0.60 0.00 0.39 -2.22 3.04 -1.34 -3.01 116.25 112.52 2d99 h VAL 12 Ca -0.01 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2d99 h VAL 12 Cb 0.50 1.37 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 2d99 h VAL 12 CO 0.02 0.00 -0.38 -0.08 -1.01 0.00 0.00 177.57 176.12 2d99 h GLU 13 N 0.00 -0.76 -0.17 4.17 4.81 -0.59 -1.79 114.58 120.25 2d99 h GLU 13 Ca 0.00 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2d99 h GLU 13 Cb 0.51 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2d99 h GLU 13 CO 0.00 -0.51 -0.33 1.05 -0.73 0.00 0.00 179.01 178.49 2d99 h GLU 14 N -0.79 0.35 0.00 1.92 4.11 -1.56 -3.09 114.58 115.53 2d99 h GLU 14 Ca -0.03 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2d99 h GLU 14 Cb 0.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2d99 h GLU 14 CO -0.06 0.65 0.00 0.28 0.07 0.00 0.00 179.01 179.94 2d99 n VAL 15 N -4.08 0.00 0.06 -1.06 0.31 -0.92 0.23 118.33 112.86 2d99 n VAL 15 Ca -0.01 1.37 0.20 0.00 -0.01 0.00 0.00 64.34 65.89 2d99 n VAL 15 Cb 0.44 -2.10 0.59 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.00 0.04 3.52 0.04 -1.41 0.85 116.94 119.99 2d99 h PHE 16 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2d99 h PHE 16 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2d99 h PHE 16 CO -0.29 0.00 -0.02 -0.44 -0.60 0.00 0.00 178.31 176.96 2d99 h ASP 17 N 0.00 -0.05 -0.46 2.17 5.19 -0.70 -2.67 116.42 119.90 2d99 h ASP 17 Ca 0.24 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.72 2d99 h ASP 17 Cb 1.68 0.01 -0.09 0.00 0.18 0.00 0.00 39.33 41.11 2d99 h ASP 17 CO -0.00 0.31 -0.45 0.58 -3.12 0.00 0.00 179.24 176.56 2d99 h VAL 18 N -0.75 0.09 -0.30 -1.35 2.07 0.45 0.55 116.25 117.01 2d99 h VAL 18 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2d99 h VAL 18 Cb 0.04 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 29.83 2d99 h VAL 18 CO 0.01 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 177.07 2d99 h LEU 19 N -0.31 -1.50 -0.65 2.57 3.38 -1.07 0.92 115.31 118.65 2d99 h LEU 19 Ca 0.14 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.45 2d99 h LEU 19 Cb 0.58 0.63 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 2d99 h LEU 19 CO -0.61 -0.40 0.17 0.22 0.09 0.00 0.00 178.44 177.91 2d99 h TYR 20 N -0.41 0.27 -0.45 1.13 3.20 -0.76 0.22 116.97 120.18 2d99 h TYR 20 Ca 0.10 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2d99 h TYR 20 Cb 0.61 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2d99 h TYR 20 CO -0.60 -0.02 0.06 1.03 -1.64 0.00 0.00 178.16 176.99 2d99 h SER 21 N 0.30 0.65 0.03 -2.11 0.87 0.20 0.12 113.55 113.61 2d99 h SER 21 Ca 0.35 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2d99 h SER 21 Cb 0.54 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2d99 h SER 21 CO -0.42 0.68 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.22 2d99 h GLU 22 N 0.67 -0.04 0.00 2.24 4.39 0.38 0.86 114.58 123.08 2d99 h GLU 22 Ca 0.14 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 2d99 h GLU 22 Cb 0.32 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2d99 h GLU 22 CO 0.01 0.12 -0.29 0.00 -1.16 0.00 0.00 179.01 177.69 2d99 h ALA 23 N 0.77 1.47 0.00 3.43 0.00 -0.63 -1.49 119.26 122.82 2d99 h ALA 23 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2d99 h ALA 23 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2d99 h ALA 23 CO 0.01 0.37 -0.55 -0.07 0.00 0.00 0.00 179.25 179.00 2d99 h LEU 24 N 0.00 0.00 -1.39 0.00 3.38 -0.28 -3.39 115.31 113.63 2d99 h LEU 24 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2d99 h LEU 24 Cb 0.53 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.41 2d99 h LEU 24 CO 0.04 0.55 -0.58 0.61 0.09 0.00 0.00 178.44 179.15 2d99 n GLY 25 N 1.04 -0.21 4.01 0.83 0.00 0.29 -4.88 105.19 106.27 2d99 n GLY 25 Ca 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.45 2.31 -0.15 1.61 1.81 -0.93 -4.93 118.95 113.21 2d99 s ARG 26 Ca 0.18 -1.23 -0.13 0.00 -1.72 0.00 0.00 55.73 52.83 2d99 s ARG 26 Cb -0.08 -2.56 -0.23 0.00 -0.45 0.00 0.00 34.95 31.63 2d99 s ARG 26 CO 0.58 -0.86 0.31 0.00 -0.68 0.00 0.00 175.30 174.65 2d99 n ALA 27 N -2.33 0.84 -2.52 2.13 0.00 -1.26 -4.93 120.51 112.44 2d99 n ALA 27 Ca 0.12 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 2d99 n ALA 27 Cb 0.60 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.41 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 -6.98 6.01 -0.37 0.00 0.01 -1.26 -4.95 113.70 106.16 2d99 s SER 28 Ca -0.25 -0.11 -0.22 0.00 1.31 0.00 0.00 55.95 56.69 2d99 s SER 28 Cb 0.06 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.96 2d99 s SER 28 CO 0.70 -0.41 0.71 -0.69 0.41 0.00 0.00 173.24 173.96 2d99 s VAL 29 N -2.18 4.81 0.20 3.43 1.01 -1.26 -4.93 120.40 121.47 2d99 s VAL 29 Ca 0.44 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 2d99 s VAL 29 Cb -0.09 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2d99 s VAL 29 CO 0.31 -0.41 0.40 0.68 0.00 0.00 0.00 175.10 176.09 2d99 s VAL 30 N 2.91 5.19 1.03 2.92 -7.23 -1.26 -5.05 120.40 118.91 2d99 s VAL 30 Ca 0.27 -0.30 -0.16 0.00 -1.81 0.00 0.00 61.98 59.98 2d99 s VAL 30 Cb -0.14 -3.72 0.21 0.00 0.56 0.00 0.00 36.38 33.29 2d99 s VAL 30 CO 0.16 -0.16 1.20 -2.16 -0.31 0.00 0.00 175.10 173.83 2d99 s PRO 31 N -3.28 0.11 -0.37 4.82 0.04 -1.26 -4.66 135.00 130.40 2d99 s PRO 31 Ca 0.39 -0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.33 2d99 s PRO 31 Cb -0.11 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.78 2d99 s PRO 31 CO 0.29 -2.82 0.12 -1.17 0.04 0.00 0.00 177.00 173.46 2d99 s LEU 32 N -6.30 4.93 -1.14 -3.56 2.96 -1.26 -4.97 118.68 109.34 2d99 s LEU 32 Ca 0.70 -2.01 -0.19 0.00 -0.22 0.00 0.00 54.13 52.41 2d99 s LEU 32 Cb -0.09 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2d99 s LEU 32 CO 0.54 -0.45 2.00 -0.81 -1.32 0.00 0.00 176.35 176.31 2d99 n PRO 33 N 4.46 2.22 -0.16 0.98 -0.04 -1.26 -4.75 135.00 136.45 2d99 n PRO 33 Ca -0.01 -2.40 -0.05 0.00 -0.04 0.00 0.00 63.50 61.00 2d99 n PRO 33 Cb 0.42 -3.25 0.01 0.00 -0.04 0.00 0.00 33.50 30.64 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 7.48 -0.72 -1.89 0.54 0.05 -1.96 0.43 116.97 120.90 2d99 h TYR 34 Ca 0.45 0.06 0.55 0.00 0.05 0.00 0.00 58.73 59.83 2d99 h TYR 34 Cb 0.73 0.39 -0.08 0.00 1.01 0.00 0.00 36.73 38.78 2d99 h TYR 34 CO 1.34 -0.34 1.36 -0.85 -1.05 0.00 0.00 178.16 178.61 2d99 n GLU 35 N -5.42 -0.00 -0.02 4.88 0.28 -1.26 0.20 120.64 119.30 2d99 n GLU 35 Ca 0.03 1.04 -0.02 0.00 -0.16 0.00 0.00 57.16 58.05 2d99 n GLU 35 Cb 0.33 -2.39 -0.01 0.00 1.43 0.00 0.00 31.44 30.80 2d99 n GLU 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2d99 n ARG 36 N -3.85 0.15 -0.51 3.44 1.74 0.13 -3.70 116.66 114.06 2d99 n ARG 36 Ca 0.43 0.20 0.43 0.00 -0.77 0.00 0.00 57.85 58.13 2d99 n ARG 36 Cb 1.93 -0.91 0.74 0.00 -1.02 0.00 0.00 32.46 33.20 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 0.09 -0.09 0.55 3.38 0.00 1.48 115.31 120.42 2d99 h LEU 37 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2d99 h LEU 37 Cb 0.23 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2d99 h LEU 37 CO 0.00 -0.04 -0.00 -0.07 0.09 0.00 0.00 178.44 178.41 2d99 h LEU 38 N 0.04 0.16 -0.78 1.67 3.38 0.22 -2.97 115.31 117.03 2d99 h LEU 38 Ca 0.79 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 58.59 2d99 h LEU 38 Cb 2.93 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 43.54 2d99 h LEU 38 CO -0.13 0.44 0.31 -0.09 0.09 0.00 0.00 178.44 179.06 2d99 h ARG 39 N -0.13 0.42 -4.77 1.13 1.12 0.20 -3.33 114.38 109.02 2d99 h ARG 39 Ca 0.02 -0.03 -0.66 0.00 -1.11 0.00 0.00 59.98 58.20 2d99 h ARG 39 Cb 0.36 -0.10 -0.39 0.00 -0.01 0.00 0.00 29.97 29.84 2d99 h ARG 39 CO 0.01 0.28 -0.76 -1.83 -3.11 0.00 0.00 179.97 174.56 2d99 s GLU 40 N -6.00 1.83 0.48 0.20 -1.05 -0.87 -4.95 118.70 108.34 2d99 s GLU 40 Ca -0.12 -1.64 0.27 0.00 -0.15 0.00 0.00 54.97 53.33 2d99 s GLU 40 Cb 0.21 -3.07 0.82 0.00 -0.44 0.00 0.00 34.13 31.65 2d99 s GLU 40 CO 0.77 -0.77 1.78 -1.00 0.95 0.00 0.00 175.26 176.99 2d99 h PRO 41 N 7.69 0.00 0.02 -4.83 0.13 -1.67 -3.09 132.00 130.24 2d99 h PRO 41 Ca -0.11 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.79 2d99 h PRO 41 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2d99 h PRO 41 CO 0.49 0.05 -0.97 0.78 -0.23 0.00 0.00 178.00 178.12 2d99 h GLY 42 N 2.96 0.43 0.47 1.56 0.00 -1.92 -2.99 103.07 103.57 2d99 h GLY 42 Ca -0.00 -0.78 0.10 0.00 0.00 0.00 0.00 47.33 46.65 2d99 h GLY 42 CO 0.01 0.69 0.47 -2.00 0.00 0.00 0.00 176.54 175.71 2d99 h LEU 43 N 0.21 0.66 -6.27 3.11 5.85 -1.87 -3.33 115.31 113.67 2d99 h LEU 43 Ca -0.08 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2d99 h LEU 43 Cb 1.62 -0.07 -0.25 0.00 0.37 0.00 0.00 40.66 42.33 2d99 h LEU 43 CO 0.17 0.36 -0.35 -0.22 -0.34 0.00 0.00 178.44 178.05 2d99 s LEU 44 N -10.29 -1.04 -0.17 2.25 2.96 -1.21 -1.31 118.68 109.87 2d99 s LEU 44 Ca -0.12 0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 54.34 2d99 s LEU 44 Cb 0.20 1.71 -0.05 0.00 0.50 0.00 0.00 46.19 48.56 2d99 s LEU 44 CO 0.78 -0.27 0.16 0.00 -1.32 0.00 0.00 176.35 175.70 2d99 s ALA 45 N 2.72 3.73 -0.39 5.97 0.00 0.14 -4.72 121.76 129.21 2d99 s ALA 45 Ca 0.16 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.31 2d99 s ALA 45 Cb -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.83 2d99 s ALA 45 CO -0.18 0.29 0.46 0.08 0.00 0.00 0.00 175.76 176.40 2d99 s VAL 46 N -0.05 5.06 0.34 0.00 1.01 -1.26 -0.96 120.40 124.54 2d99 s VAL 46 Ca 0.12 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2d99 s VAL 46 Cb -0.12 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2d99 s VAL 46 CO 0.01 -0.31 0.19 -1.10 0.00 0.00 0.00 175.10 173.89 2d99 s GLN 47 N 2.23 2.47 -1.06 2.72 -1.52 0.93 -4.61 119.66 120.83 2d99 s GLN 47 Ca 0.15 -1.48 -0.01 0.00 -1.95 0.00 0.00 55.36 52.07 2d99 s GLN 47 Cb -0.16 -2.26 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 2d99 s GLN 47 CO 0.14 0.10 0.14 0.41 -0.25 0.00 0.00 175.29 175.82 2d99 n GLY 48 N -1.22 -0.13 3.84 3.09 0.00 -1.26 0.16 105.19 109.67 2d99 n GLY 48 Ca -0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.94 2.70 -0.52 0.99 1.43 -1.26 0.19 118.68 118.27 2d99 s LEU 49 Ca 0.07 1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 54.09 2d99 s LEU 49 Cb -0.03 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.32 2d99 s LEU 49 CO 0.08 -1.73 1.47 -2.16 0.23 0.00 0.00 176.35 174.24 2d99 s PRO 50 N -5.26 3.31 0.22 1.29 0.04 -1.26 -4.90 135.00 128.44 2d99 s PRO 50 Ca 0.60 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 2d99 s PRO 50 Cb -0.13 -4.13 -0.11 0.00 0.04 0.00 0.00 34.50 30.17 2d99 s PRO 50 CO 0.53 -1.91 0.18 0.39 0.04 0.00 0.00 177.00 176.23 2d99 n GLU 51 N 8.56 0.00 -2.55 4.56 1.02 -1.26 -3.12 120.64 127.85 2d99 n GLU 51 Ca 0.15 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2d99 n GLU 51 Cb 0.49 -0.69 0.04 0.00 -0.02 0.00 0.00 31.44 31.26 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d99 n GLY 52 N 1.52 0.05 0.00 0.62 0.00 -1.26 -5.04 105.19 101.08 2d99 n GLY 52 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.37 0.00 -3.68 0.99 4.77 -1.18 -5.08 117.00 110.44 2d99 n LEU 53 Ca -0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 2d99 n LEU 53 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 2d99 n LEU 53 CO 0.27 0.00 0.23 0.00 -1.33 0.00 0.00 177.39 176.56 2d99 s ALA 54 N -1.00 -1.38 -0.25 -1.18 0.00 -1.26 -5.05 121.76 111.64 2d99 s ALA 54 Ca 0.00 1.63 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 2d99 s ALA 54 Cb 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 2d99 s ALA 54 CO 0.00 -0.27 2.23 0.34 0.00 0.00 0.00 175.76 178.06 2d99 n PHE 55 N 3.04 1.88 -3.59 0.00 7.35 -1.26 -4.89 117.46 119.99 2d99 n PHE 55 Ca -0.15 -0.06 -0.08 0.00 -0.76 0.00 0.00 57.45 56.40 2d99 n PHE 55 Cb 0.56 -2.70 -0.02 0.00 0.35 0.00 0.00 39.48 37.68 2d99 n PHE 55 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2d99 s ARG 56 N 6.45 1.19 0.37 -4.13 1.70 -1.26 -5.04 118.95 118.24 2d99 s ARG 56 Ca 1.02 -0.54 -0.17 0.00 -0.47 0.00 0.00 55.73 55.57 2d99 s ARG 56 Cb -0.40 0.48 -0.13 0.00 -0.57 0.00 0.00 34.95 34.33 2d99 s ARG 56 CO 0.37 -0.53 0.01 0.54 -1.08 0.00 0.00 175.30 174.61 2d99 n ARG 57 N -0.37 0.00 0.24 3.89 1.74 -1.26 -4.76 116.66 116.14 2d99 n ARG 57 Ca -0.10 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.13 2d99 n ARG 57 Cb 0.62 -0.86 0.43 0.00 -1.02 0.00 0.00 32.46 31.64 2d99 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2d99 h PRO 58 N 0.18 0.00 0.00 5.56 0.13 -1.94 -2.59 132.00 133.34 2d99 h PRO 58 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2d99 h PRO 58 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d99 h PRO 58 CO 0.39 0.00 -0.50 0.00 -0.23 0.00 0.00 178.00 177.65 2d99 h ALA 59 N 2.03 0.72 0.00 -0.56 0.00 -1.89 -3.22 119.26 116.34 2d99 h ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d99 h ALA 59 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2d99 h ALA 59 CO 0.00 0.00 -0.81 0.93 0.00 0.00 0.00 179.25 179.37 2d99 h GLU 60 N 0.00 0.00 -7.42 0.00 5.08 -1.80 -3.47 114.58 106.97 2d99 h GLU 60 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 2d99 h GLU 60 Cb 0.89 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.29 2d99 h GLU 60 CO 0.00 0.00 0.22 0.71 -1.00 0.00 0.00 179.01 178.94 2d99 s TYR 61 N -3.24 2.03 0.76 4.33 2.02 -1.06 -5.01 117.35 117.19 2d99 s TYR 61 Ca 0.03 0.86 -0.09 0.00 -0.37 0.00 0.00 57.07 57.50 2d99 s TYR 61 Cb 0.12 -3.36 0.17 0.00 -0.40 0.00 0.00 41.96 38.49 2d99 s TYR 61 CO 0.76 -2.86 1.04 -0.25 -1.57 0.00 0.00 175.55 172.67 2d99 n ASP 62 N -4.12 0.53 0.02 2.29 8.00 -1.26 -4.93 116.55 117.08 2d99 n ASP 62 Ca 0.07 -1.65 -0.10 0.00 0.71 0.00 0.00 54.79 53.81 2d99 n ASP 62 Cb 0.58 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 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 -0.14 0.00 -0.24 0.13 -1.97 -2.81 132.00 126.96 2d99 h PRO 63 Ca -0.34 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 2d99 h PRO 63 Cb 1.04 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2d99 h PRO 63 CO 0.28 0.33 -0.13 0.87 -0.23 0.00 0.00 178.00 179.11 2d99 h LYS 64 N -0.90 0.00 0.86 0.86 6.56 -1.99 -2.96 116.57 119.00 2d99 h LYS 64 Ca -0.02 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 2d99 h LYS 64 Cb 0.54 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.21 2d99 h LYS 64 CO 0.03 0.13 -0.41 0.00 -2.06 0.00 0.00 179.45 177.14 2d99 h ALA 65 N 1.87 -1.15 -0.83 3.86 0.00 -1.94 0.86 119.26 121.92 2d99 h ALA 65 Ca -0.00 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 54.86 2d99 h ALA 65 Cb 0.41 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 2d99 h ALA 65 CO 0.02 -1.07 0.05 -0.07 0.00 0.00 0.00 179.25 178.18 2d99 h LEU 66 N -1.31 -0.31 -1.51 0.00 3.38 -1.34 1.66 115.31 115.87 2d99 h LEU 66 Ca -0.12 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2d99 h LEU 66 Cb 0.88 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2d99 h LEU 66 CO 0.19 -0.21 -0.24 0.24 0.09 0.00 0.00 178.44 178.52 2d99 h MET 67 N 0.11 0.01 0.00 1.13 2.86 -1.40 -0.11 114.93 117.53 2d99 h MET 67 Ca 0.47 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 2d99 h MET 67 Cb 0.88 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2d99 h MET 67 CO -0.71 0.25 -0.07 0.00 1.06 0.00 0.00 176.91 177.43 2d99 h ALA 68 N 1.75 0.96 0.11 6.32 0.00 0.46 -2.71 119.26 126.16 2d99 h ALA 68 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2d99 h ALA 68 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2d99 h ALA 68 CO 0.03 0.00 -1.24 0.82 0.00 0.00 0.00 179.25 178.86 2d99 h ILE 69 N 0.00 1.14 0.00 0.00 2.04 0.17 -0.50 117.51 120.36 2d99 h ILE 69 Ca 0.00 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 2d99 h ILE 69 Cb 0.80 2.80 -0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2d99 h ILE 69 CO 0.00 0.68 -0.14 -0.07 0.00 0.00 0.00 178.15 178.61 2d99 h LEU 70 N -0.38 0.00 0.14 1.44 3.38 -1.13 1.47 115.31 120.23 2d99 h LEU 70 Ca -0.26 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.37 2d99 h LEU 70 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2d99 h LEU 70 CO 0.06 0.14 -1.76 -0.33 0.09 0.00 0.00 178.44 176.64 2d99 h GLU 71 N 0.00 0.29 0.00 1.13 5.08 -1.56 -3.33 114.58 116.19 2d99 h GLU 71 Ca -0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2d99 h GLU 71 Cb 0.44 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2d99 h GLU 71 CO 0.02 1.24 -0.11 0.72 -1.00 0.00 0.00 179.01 179.87 2d99 n HIS 72 N -3.66 0.20 -0.36 4.33 8.25 -0.20 -3.71 115.22 120.07 2d99 n HIS 72 Ca -0.28 0.06 0.27 0.00 -0.26 0.00 0.00 57.72 57.51 2d99 n HIS 72 Cb 1.01 -0.55 0.55 0.00 1.12 0.00 0.00 29.99 32.12 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 0.38 -0.10 0.41 4.64 0.19 1.64 113.55 120.72 2d99 h SER 73 Ca 0.00 0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.46 2d99 h SER 73 Cb 0.56 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2d99 h SER 73 CO 0.00 -0.01 0.43 1.12 -0.87 0.00 0.00 176.83 177.50 2d99 h HIS 74 N 0.29 0.00 0.00 4.77 2.07 -1.81 0.34 115.15 120.81 2d99 h HIS 74 Ca 0.67 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.93 2d99 h HIS 74 Cb 1.85 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.78 2d99 h HIS 74 CO -0.00 0.00 -2.01 0.54 -3.07 0.00 0.00 177.93 173.39 2d99 n ARG 75 N -3.02 0.95 -1.71 5.12 1.74 0.55 -4.98 116.66 115.31 2d99 n ARG 75 Ca 0.00 0.06 -0.63 0.00 -0.77 0.00 0.00 57.85 56.51 2d99 n ARG 75 Cb 0.50 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.83 0.11 -3.76 0.55 5.41 0.13 -4.11 119.36 114.86 2d99 n ILE 76 Ca -0.28 -0.02 -0.14 0.00 1.00 0.00 0.00 62.75 63.31 2d99 n ILE 76 Cb 0.89 -0.73 -0.14 0.00 -0.71 0.00 0.00 39.64 38.95 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 2.85 0.08 0.24 0.38 1.81 0.43 -4.92 118.95 119.83 2d99 s ARG 77 Ca 1.01 0.32 -0.15 0.00 -1.72 0.00 0.00 55.73 55.19 2d99 s ARG 77 Cb -1.31 -0.16 -0.08 0.00 -0.45 0.00 0.00 34.95 32.95 2d99 s ARG 77 CO 0.73 -0.15 0.66 -0.06 -0.68 0.00 0.00 175.30 175.80 2d99 s PHE 78 N 1.02 3.52 -0.12 -0.53 0.40 -1.26 -0.05 117.98 120.95 2d99 s PHE 78 Ca -0.08 1.18 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 2d99 s PHE 78 Cb -0.10 -2.48 0.04 0.00 0.51 0.00 0.00 43.02 40.99 2d99 s PHE 78 CO -0.05 0.27 -0.02 0.15 0.70 0.00 0.00 175.22 176.28 2d99 s LYS 79 N -2.41 0.94 0.28 0.44 -0.14 -0.14 -4.92 119.74 113.79 2d99 s LYS 79 Ca 0.46 -0.19 -0.11 0.00 -1.36 0.00 0.00 55.97 54.76 2d99 s LYS 79 Cb -0.13 -1.53 -0.08 0.00 -1.68 0.00 0.00 37.83 34.41 2d99 s LYS 79 CO 0.19 -0.39 0.63 -0.51 -0.76 0.00 0.00 175.35 174.51 2d99 s LEU 80 N 1.84 4.10 0.10 3.17 1.43 -1.26 -0.69 118.68 127.37 2d99 s LEU 80 Ca 0.03 1.04 -0.35 0.00 -1.03 0.00 0.00 54.13 53.82 2d99 s LEU 80 Cb -0.14 -3.83 -0.15 0.00 0.03 0.00 0.00 46.19 42.10 2d99 s LEU 80 CO -0.07 -0.14 1.55 0.50 0.23 0.00 0.00 176.35 178.41 2d99 h LYS 81 N 2.32 -0.80 -7.26 1.70 3.64 -1.31 -3.42 116.57 111.43 2d99 h LYS 81 Ca -0.47 0.05 -0.49 0.00 -1.27 0.00 0.00 60.65 58.47 2d99 h LYS 81 Cb 1.17 0.18 0.06 0.00 -0.41 0.00 0.00 32.23 33.23 2d99 h LYS 81 CO 0.67 -0.54 0.38 1.03 -2.27 0.00 0.00 179.45 178.73 2d99 s ARG 82 N -5.75 3.48 0.05 1.90 0.52 -1.26 -5.00 118.95 112.88 2d99 s ARG 82 Ca -0.17 0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 55.72 2d99 s ARG 82 Cb 0.05 -2.06 -0.05 0.00 0.52 0.00 0.00 34.95 33.41 2d99 s ARG 82 CO 0.60 -0.66 1.17 -1.25 0.02 0.00 0.00 175.30 175.17 2d99 s PRO 83 N -4.51 4.44 0.00 3.54 0.04 -1.26 -4.99 135.00 132.27 2d99 s PRO 83 Ca 0.59 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2d99 s PRO 83 Cb -0.13 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2d99 s PRO 83 CO 0.43 -0.24 0.00 0.45 0.04 0.00 0.00 177.00 177.68 2d99 n SER 84 N 3.98 0.00 0.11 6.66 2.88 -1.26 -5.10 113.62 120.89 2d99 n SER 84 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2d99 n SER 84 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2d99 n SER 84 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d99 n SER 85 N 0.00 0.05 -2.33 -3.46 7.64 -1.26 -4.92 113.62 109.34 2d99 n SER 85 Ca 0.00 0.35 -0.04 0.00 1.01 0.00 0.00 58.87 60.19 2d99 n SER 85 Cb 0.00 0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 2d99 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d99 n GLY 86 N 1.86 -4.70 3.72 0.23 0.00 -1.26 -4.07 105.19 100.97 2d99 n GLY 86 Ca 0.00 1.25 -0.42 0.00 0.00 0.00 0.00 46.02 46.85 2d99 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d99 s PRO 87 N -0.78 4.48 -0.29 1.61 0.04 -1.26 -4.51 135.00 134.28 2d99 s PRO 87 Ca -0.21 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 2d99 s PRO 87 Cb 0.01 -3.34 0.18 0.00 0.04 0.00 0.00 34.50 31.40 2d99 s PRO 87 CO 0.61 -0.16 1.18 -1.54 0.04 0.00 0.00 177.00 177.13 2d99 s SER 88 N 0.77 -0.22 -0.22 6.66 1.04 -1.26 -5.06 113.70 115.41 2d99 s SER 88 Ca 0.56 0.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.35 2d99 s SER 88 Cb -0.29 0.94 0.07 0.00 0.10 0.00 0.00 66.02 66.84 2d99 s SER 88 CO 0.31 -0.06 0.01 -0.44 0.98 0.00 0.00 173.24 174.04 2d99 s SER 89 N 0.93 3.41 0.00 7.02 0.01 -1.26 -5.01 113.70 118.80 2d99 s SER 89 Ca -0.05 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2d99 s SER 89 Cb -0.03 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.35 2d99 s SER 89 CO -0.12 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.84