#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 -1.25 0.17 1.61 0.01 -1.26 -4.92 113.70 108.06 2d99 s SER 2 Ca 0.00 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2d99 s SER 2 Cb 0.00 2.00 0.00 0.00 0.21 0.00 0.00 66.02 68.23 2d99 s SER 2 CO 0.00 -0.23 0.00 -0.24 0.41 0.00 0.00 173.24 173.18 2d99 n SER 3 N 5.43 -6.99 0.00 2.44 2.88 -1.26 -5.04 113.62 111.08 2d99 n SER 3 Ca -0.01 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2d99 n SER 3 Cb 0.52 -3.80 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 2d99 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d99 n GLY 4 N 1.20 0.20 1.43 0.46 0.00 -1.26 -4.96 105.19 102.25 2d99 n GLY 4 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2d99 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d99 n SER 5 N -0.75 -7.54 -3.66 1.61 2.88 -1.26 -4.79 113.62 100.12 2d99 n SER 5 Ca 0.00 1.44 -0.28 0.00 -1.33 0.00 0.00 58.87 58.69 2d99 n SER 5 Cb 0.00 -4.89 0.22 0.00 -0.75 0.00 0.00 64.21 58.79 2d99 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d99 n SER 6 N -4.21 -0.95 0.00 -3.46 7.64 -1.26 -4.71 113.62 106.67 2d99 n SER 6 Ca -0.09 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.49 2d99 n SER 6 Cb 0.65 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 -3.83 2.57 0.15 0.23 0.00 -1.26 -4.65 105.19 98.41 2d99 n GLY 7 Ca 0.15 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 2d99 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d99 h LEU 8 N 0.00 -0.30 0.25 0.99 3.38 -1.97 1.55 115.31 119.21 2d99 h LEU 8 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2d99 h LEU 8 Cb 0.00 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2d99 h LEU 8 CO 0.00 -0.10 -0.12 0.03 0.09 0.00 0.00 178.44 178.34 2d99 h ARG 9 N 0.02 -0.32 0.00 1.13 -0.00 -1.92 -0.84 114.38 112.44 2d99 h ARG 9 Ca 0.17 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.67 2d99 h ARG 9 Cb 0.26 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.30 2d99 h ARG 9 CO -0.35 -0.08 -0.00 -0.22 0.00 0.00 0.00 179.97 179.32 2d99 h LYS 10 N -0.53 0.00 -0.01 0.04 1.63 -1.70 0.91 116.57 116.91 2d99 h LYS 10 Ca -0.03 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 2d99 h LYS 10 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2d99 h LYS 10 CO 0.06 0.00 -0.14 0.52 -3.45 0.00 0.00 179.45 176.44 2d99 h MET 11 N 0.00 0.11 0.00 1.90 2.86 0.29 -3.23 114.93 116.86 2d99 h MET 11 Ca -0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2d99 h MET 11 Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2d99 h MET 11 CO 0.00 0.83 -0.02 -0.24 1.06 0.00 0.00 176.91 178.54 2d99 h VAL 12 N -0.57 0.00 0.13 -2.22 3.04 -0.28 -3.25 116.25 113.10 2d99 h VAL 12 Ca -0.01 -0.66 0.01 0.00 -1.01 0.00 0.00 66.70 65.02 2d99 h VAL 12 Cb 0.87 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 2d99 h VAL 12 CO 0.03 0.00 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.09 2d99 h GLU 13 N 0.00 -0.34 -0.20 4.17 5.08 0.81 -1.33 114.58 122.78 2d99 h GLU 13 Ca 0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2d99 h GLU 13 Cb 0.83 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2d99 h GLU 13 CO 0.00 -0.22 -0.27 1.05 -1.00 0.00 0.00 179.01 178.56 2d99 h GLU 14 N -0.35 0.38 0.15 2.33 4.11 -1.63 -2.83 114.58 116.74 2d99 h GLU 14 Ca 0.01 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 2d99 h GLU 14 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2d99 h GLU 14 CO -0.07 0.63 -0.22 0.28 0.07 0.00 0.00 179.01 179.70 2d99 h VAL 15 N 0.34 0.00 0.00 -1.06 2.07 -1.44 1.82 116.25 117.98 2d99 h VAL 15 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2d99 h VAL 15 Cb 0.66 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2d99 h VAL 15 CO 0.05 0.00 0.21 -0.26 0.02 0.00 0.00 177.57 177.59 2d99 h PHE 16 N -0.38 0.00 0.03 1.57 0.04 -1.27 0.23 116.94 117.16 2d99 h PHE 16 Ca -0.02 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.58 2d99 h PHE 16 Cb 0.35 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2d99 h PHE 16 CO -0.23 0.00 -0.92 -0.44 -0.60 0.00 0.00 178.31 176.12 2d99 h ASP 17 N 0.00 0.09 0.76 2.17 5.19 -0.69 -3.22 116.42 120.73 2d99 h ASP 17 Ca 0.00 -0.74 -0.04 0.00 -0.62 0.00 0.00 57.03 55.63 2d99 h ASP 17 Cb 0.42 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 39.91 2d99 h ASP 17 CO 0.00 1.37 -0.37 0.58 -3.12 0.00 0.00 179.24 177.71 2d99 h VAL 18 N -0.83 0.00 -0.99 -1.35 2.07 0.46 -0.64 116.25 114.98 2d99 h VAL 18 Ca -0.23 -0.14 0.25 0.00 0.82 0.00 0.00 66.70 67.40 2d99 h VAL 18 Cb 1.33 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.91 2d99 h VAL 18 CO -0.08 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.40 2d99 h LEU 19 N -1.16 -0.59 0.85 2.57 3.38 -0.84 0.77 115.31 120.29 2d99 h LEU 19 Ca -0.10 0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2d99 h LEU 19 Cb 0.79 0.52 0.01 0.00 0.09 0.00 0.00 40.66 42.06 2d99 h LEU 19 CO 0.17 -0.35 -0.42 0.22 0.09 0.00 0.00 178.44 178.15 2d99 h TYR 20 N 0.01 -1.09 -0.99 1.13 3.20 -1.52 -1.52 116.97 116.18 2d99 h TYR 20 Ca 0.57 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.65 2d99 h TYR 20 Cb 1.11 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 39.65 2d99 h TYR 20 CO -0.56 -0.67 0.64 1.03 -1.64 0.00 0.00 178.16 176.95 2d99 h SER 21 N -1.15 0.49 -0.39 -2.11 0.87 0.81 0.34 113.55 112.41 2d99 h SER 21 Ca -0.12 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2d99 h SER 21 Cb 0.89 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 2d99 h SER 21 CO 0.18 0.15 0.26 -0.33 -0.53 0.00 0.00 176.83 176.56 2d99 h GLU 22 N 0.47 0.51 0.00 2.24 4.39 0.80 0.74 114.58 123.72 2d99 h GLU 22 Ca 0.55 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 60.10 2d99 h GLU 22 Cb 1.28 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2d99 h GLU 22 CO -0.27 0.34 -0.54 0.00 -1.16 0.00 0.00 179.01 177.38 2d99 h ALA 23 N 1.14 1.08 0.00 3.43 0.00 0.45 -2.39 119.26 122.97 2d99 h ALA 23 Ca 0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2d99 h ALA 23 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2d99 h ALA 23 CO -0.03 0.67 -0.30 -0.07 0.00 0.00 0.00 179.25 179.53 2d99 h LEU 24 N 0.00 0.00 -1.23 0.00 3.38 0.42 -3.45 115.31 114.43 2d99 h LEU 24 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2d99 h LEU 24 Cb 0.97 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.83 2d99 h LEU 24 CO 0.07 0.30 -0.49 0.61 0.09 0.00 0.00 178.44 179.01 2d99 n GLY 25 N 0.70 -0.09 4.01 0.83 0.00 0.25 -5.03 105.19 105.86 2d99 n GLY 25 Ca 0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.54 1.91 -0.23 1.61 1.81 -0.95 -5.05 118.95 112.51 2d99 s ARG 26 Ca 0.25 -1.37 -0.06 0.00 -1.72 0.00 0.00 55.73 52.83 2d99 s ARG 26 Cb -0.11 -2.46 -0.18 0.00 -0.45 0.00 0.00 34.95 31.75 2d99 s ARG 26 CO 0.50 -1.23 -0.10 0.00 -0.68 0.00 0.00 175.30 173.79 2d99 n ALA 27 N -2.60 1.20 -2.75 2.13 0.00 -1.26 -4.92 120.51 112.32 2d99 n ALA 27 Ca 0.16 -0.95 -0.22 0.00 0.00 0.00 0.00 53.44 52.43 2d99 n ALA 27 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -6.91 6.24 -0.36 0.00 0.01 -1.26 -5.02 113.70 106.40 2d99 s SER 28 Ca -0.33 0.21 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 2d99 s SER 28 Cb 0.10 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.50 2d99 s SER 28 CO 0.60 -0.24 0.84 -0.69 0.41 0.00 0.00 173.24 174.16 2d99 s VAL 29 N -2.18 4.68 0.21 3.43 1.01 -1.26 -4.93 120.40 121.37 2d99 s VAL 29 Ca 0.38 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.41 2d99 s VAL 29 Cb -0.09 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2d99 s VAL 29 CO 0.33 -0.46 0.39 0.68 0.00 0.00 0.00 175.10 176.03 2d99 s VAL 30 N 3.24 5.22 1.04 2.92 -7.23 -1.26 -5.04 120.40 119.29 2d99 s VAL 30 Ca 0.34 -0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.84 2d99 s VAL 30 Cb -0.13 -3.76 0.22 0.00 0.56 0.00 0.00 36.38 33.27 2d99 s VAL 30 CO 0.17 -0.22 1.20 -2.16 -0.31 0.00 0.00 175.10 173.78 2d99 s PRO 31 N -3.49 0.04 -0.34 4.82 0.04 -1.26 -4.58 135.00 130.23 2d99 s PRO 31 Ca 0.37 -0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.32 2d99 s PRO 31 Cb -0.11 -1.75 0.09 0.00 0.04 0.00 0.00 34.50 32.78 2d99 s PRO 31 CO 0.30 -2.86 0.05 -1.17 0.04 0.00 0.00 177.00 173.35 2d99 s LEU 32 N -6.32 4.64 -1.10 -3.56 2.96 -1.26 -4.94 118.68 109.10 2d99 s LEU 32 Ca 0.70 -2.00 -0.18 0.00 -0.22 0.00 0.00 54.13 52.43 2d99 s LEU 32 Cb -0.08 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.89 2d99 s LEU 32 CO 0.54 -0.38 2.08 -0.81 -1.32 0.00 0.00 176.35 176.46 2d99 n PRO 33 N 4.34 2.15 -0.27 0.98 -0.04 -1.26 -4.73 135.00 136.17 2d99 n PRO 33 Ca -0.00 -2.19 0.05 0.00 -0.04 0.00 0.00 63.50 61.32 2d99 n PRO 33 Cb 0.42 -3.08 0.15 0.00 -0.04 0.00 0.00 33.50 30.95 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 6.98 -0.13 -1.39 0.54 0.05 -1.97 0.96 116.97 122.01 2d99 h TYR 34 Ca 0.50 0.06 0.40 0.00 0.05 0.00 0.00 58.73 59.74 2d99 h TYR 34 Cb 0.65 0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.51 2d99 h TYR 34 CO 1.36 -0.28 0.99 1.05 -1.05 0.00 0.00 178.16 180.23 2d99 h GLU 35 N 0.07 0.02 0.00 4.88 4.11 -1.98 1.54 114.58 123.21 2d99 h GLU 35 Ca 0.42 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 2d99 h GLU 35 Cb 0.72 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2d99 h GLU 35 CO -0.71 0.01 -0.24 0.54 0.07 0.00 0.00 179.01 178.67 2d99 n ARG 36 N -4.15 0.19 -0.33 1.06 1.74 0.31 -3.59 116.66 111.90 2d99 n ARG 36 Ca 0.31 0.32 0.23 0.00 -0.77 0.00 0.00 57.85 57.94 2d99 n ARG 36 Cb 1.44 -1.10 0.46 0.00 -1.02 0.00 0.00 32.46 32.23 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 -0.42 0.50 -0.81 0.55 3.38 -0.55 1.46 115.31 119.42 2d99 h LEU 37 Ca 0.00 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2d99 h LEU 37 Cb 0.24 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2d99 h LEU 37 CO 0.00 -0.11 0.53 -0.07 0.09 0.00 0.00 178.44 178.88 2d99 h LEU 38 N 0.34 0.91 -0.45 1.67 3.38 0.20 -2.12 115.31 119.24 2d99 h LEU 38 Ca 0.72 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.69 2d99 h LEU 38 Cb 1.60 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2d99 h LEU 38 CO -0.60 0.65 0.27 -0.09 0.09 0.00 0.00 178.44 178.76 2d99 h ARG 39 N 1.07 0.52 -4.73 1.13 2.43 0.19 -3.37 114.38 111.63 2d99 h ARG 39 Ca 0.31 -0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.78 2d99 h ARG 39 Cb -0.08 -0.12 -0.38 0.00 -0.42 0.00 0.00 29.97 28.98 2d99 h ARG 39 CO -0.08 0.34 -0.72 -1.83 -1.51 0.00 0.00 179.97 176.17 2d99 s GLU 40 N -6.15 1.85 0.35 0.20 -1.05 -0.66 -4.95 118.70 108.29 2d99 s GLU 40 Ca -0.13 -1.66 0.18 0.00 -0.15 0.00 0.00 54.97 53.21 2d99 s GLU 40 Cb 0.12 -3.15 0.50 0.00 -0.44 0.00 0.00 34.13 31.16 2d99 s GLU 40 CO 0.73 -0.82 1.64 -1.00 0.95 0.00 0.00 175.26 176.77 2d99 h PRO 41 N 7.74 0.00 0.00 -4.83 0.13 -1.71 -2.98 132.00 130.35 2d99 h PRO 41 Ca -0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 2d99 h PRO 41 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2d99 h PRO 41 CO 0.52 0.39 -0.28 0.78 -0.23 0.00 0.00 178.00 179.19 2d99 h GLY 42 N 2.60 0.00 1.01 1.56 0.00 -1.92 -2.93 103.07 103.38 2d99 h GLY 42 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2d99 h GLY 42 CO 0.05 0.00 -0.17 -2.00 0.00 0.00 0.00 176.54 174.43 2d99 h LEU 43 N 0.00 0.83 -6.80 3.11 5.85 -1.85 -3.34 115.31 113.10 2d99 h LEU 43 Ca -0.00 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 2d99 h LEU 43 Cb 0.79 -0.23 -0.25 0.00 0.37 0.00 0.00 40.66 41.34 2d99 h LEU 43 CO 0.04 1.04 -0.32 -0.22 -0.34 0.00 0.00 178.44 178.64 2d99 s LEU 44 N -9.16 -0.88 -0.15 2.25 2.96 -1.12 -1.90 118.68 110.69 2d99 s LEU 44 Ca -0.12 0.98 -0.06 0.00 -0.22 0.00 0.00 54.13 54.71 2d99 s LEU 44 Cb 0.10 1.66 -0.04 0.00 0.50 0.00 0.00 46.19 48.42 2d99 s LEU 44 CO 0.83 -0.25 0.05 0.00 -1.32 0.00 0.00 176.35 175.67 2d99 s ALA 45 N 2.71 3.42 -0.30 5.97 0.00 0.11 -4.67 121.76 129.01 2d99 s ALA 45 Ca 0.03 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 2d99 s ALA 45 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2d99 s ALA 45 CO -0.16 0.35 0.33 0.08 0.00 0.00 0.00 175.76 176.35 2d99 s VAL 46 N -0.14 5.20 0.37 0.00 1.01 -1.26 -0.36 120.40 125.22 2d99 s VAL 46 Ca 0.07 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2d99 s VAL 46 Cb -0.12 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2d99 s VAL 46 CO 0.01 0.07 0.03 -1.10 0.00 0.00 0.00 175.10 174.12 2d99 s GLN 47 N 1.98 2.06 -1.24 2.72 -1.52 0.18 -4.68 119.66 119.15 2d99 s GLN 47 Ca 0.12 -1.85 -0.01 0.00 -1.95 0.00 0.00 55.36 51.67 2d99 s GLN 47 Cb -0.16 -1.86 0.00 0.00 -0.22 0.00 0.00 33.01 30.77 2d99 s GLN 47 CO 0.11 0.05 0.11 0.41 -0.25 0.00 0.00 175.29 175.72 2d99 n GLY 48 N -1.00 -0.23 3.82 3.09 0.00 -1.26 0.18 105.19 109.80 2d99 n GLY 48 Ca -0.04 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.47 2.61 -0.58 0.99 1.43 -1.26 -0.52 118.68 116.87 2d99 s LEU 49 Ca 0.06 1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 54.11 2d99 s LEU 49 Cb -0.03 -3.85 0.01 0.00 0.03 0.00 0.00 46.19 42.35 2d99 s LEU 49 CO 0.07 -1.88 1.51 -2.16 0.23 0.00 0.00 176.35 174.11 2d99 s PRO 50 N -5.22 3.15 0.20 1.29 0.04 -1.26 -4.91 135.00 128.29 2d99 s PRO 50 Ca 0.60 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 2d99 s PRO 50 Cb -0.14 -4.19 -0.10 0.00 0.04 0.00 0.00 34.50 30.12 2d99 s PRO 50 CO 0.53 -2.12 0.15 0.39 0.04 0.00 0.00 177.00 175.99 2d99 n GLU 51 N 8.85 0.00 -2.59 4.56 1.02 -1.26 -3.12 120.64 128.09 2d99 n GLU 51 Ca 0.13 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.20 2d99 n GLU 51 Cb 0.50 -0.60 0.04 0.00 -0.02 0.00 0.00 31.44 31.35 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 1.33 0.06 0.10 0.62 0.00 -1.26 -5.03 105.19 101.00 2d99 n GLY 52 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.41 0.00 -3.70 0.99 4.77 -1.18 -5.09 117.00 110.38 2d99 n LEU 53 Ca -0.12 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 2d99 n LEU 53 Cb 0.57 0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.67 2d99 n LEU 53 CO 0.28 -0.02 0.18 0.00 -1.33 0.00 0.00 177.39 176.49 2d99 s ALA 54 N -1.03 -1.25 -0.29 -1.18 0.00 -1.26 -5.05 121.76 111.70 2d99 s ALA 54 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 2d99 s ALA 54 Cb -0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.18 2d99 s ALA 54 CO 0.00 -0.25 2.25 0.34 0.00 0.00 0.00 175.76 178.10 2d99 n PHE 55 N 3.07 1.80 -3.48 0.00 7.35 -1.26 -4.88 117.46 120.06 2d99 n PHE 55 Ca -0.15 -0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.43 2d99 n PHE 55 Cb 0.56 -2.67 -0.03 0.00 0.35 0.00 0.00 39.48 37.70 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 6.60 0.97 0.55 -4.13 1.70 -1.26 -5.04 118.95 118.34 2d99 s ARG 56 Ca 1.03 -0.28 -0.15 0.00 -0.47 0.00 0.00 55.73 55.86 2d99 s ARG 56 Cb -0.45 0.45 -0.13 0.00 -0.57 0.00 0.00 34.95 34.25 2d99 s ARG 56 CO 0.37 -0.41 -0.26 0.54 -1.08 0.00 0.00 175.30 174.46 2d99 n ARG 57 N -0.13 0.00 0.20 3.89 1.74 -1.26 -4.74 116.66 116.37 2d99 n ARG 57 Ca -0.12 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.04 2d99 n ARG 57 Cb 0.62 -0.87 0.30 0.00 -1.02 0.00 0.00 32.46 31.49 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 -0.23 0.00 0.00 5.56 0.13 -1.93 -2.57 132.00 132.97 2d99 h PRO 58 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2d99 h PRO 58 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2d99 h PRO 58 CO 0.32 0.27 -0.07 0.00 -0.23 0.00 0.00 178.00 178.30 2d99 n ALA 59 N -2.20 2.44 1.00 -0.56 0.00 -1.26 -2.84 120.51 117.09 2d99 n ALA 59 Ca 0.01 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.45 2d99 n ALA 59 Cb 0.53 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.74 0.18 -2.02 0.00 1.02 -0.99 -4.96 120.64 112.13 2d99 n GLU 60 Ca 0.06 -0.15 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 2d99 n GLU 60 Cb 0.37 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.92 2.19 0.76 -0.32 2.02 -1.08 -4.98 117.35 113.01 2d99 s TYR 61 Ca 0.10 0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 57.13 2d99 s TYR 61 Cb 0.16 -3.70 0.17 0.00 -0.40 0.00 0.00 41.96 38.19 2d99 s TYR 61 CO 0.82 -2.13 1.04 -0.25 -1.57 0.00 0.00 175.55 173.46 2d99 n ASP 62 N -3.43 0.63 0.04 2.29 9.92 -1.26 -4.94 116.55 119.80 2d99 n ASP 62 Ca 0.12 -1.71 -0.09 0.00 -0.53 0.00 0.00 54.79 52.58 2d99 n ASP 62 Cb 0.60 -0.74 -0.06 0.00 -0.64 0.00 0.00 41.12 40.27 2d99 n ASP 62 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2d99 h PRO 63 N 0.00 -0.19 0.00 -0.24 0.13 -1.98 -2.84 132.00 126.89 2d99 h PRO 63 Ca -0.34 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2d99 h PRO 63 Cb 1.07 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2d99 h PRO 63 CO 0.29 0.20 -0.02 0.87 -0.23 0.00 0.00 178.00 179.11 2d99 h LYS 64 N -0.94 0.00 0.56 0.86 6.56 -1.99 -2.97 116.57 118.64 2d99 h LYS 64 Ca -0.02 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2d99 h LYS 64 Cb 0.47 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.14 2d99 h LYS 64 CO 0.03 0.02 -0.27 0.00 -2.06 0.00 0.00 179.45 177.17 2d99 h ALA 65 N 1.98 -0.91 -0.79 3.86 0.00 -1.94 -0.64 119.26 120.82 2d99 h ALA 65 Ca -0.00 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.90 2d99 h ALA 65 Cb 0.31 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 2d99 h ALA 65 CO 0.00 -0.85 -0.24 -0.07 0.00 0.00 0.00 179.25 178.09 2d99 h LEU 66 N -0.98 -0.88 -1.57 0.00 3.38 -1.35 1.54 115.31 115.46 2d99 h LEU 66 Ca -0.08 0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2d99 h LEU 66 Cb 0.58 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2d99 h LEU 66 CO 0.13 -0.28 0.35 0.24 0.09 0.00 0.00 178.44 178.97 2d99 h MET 67 N -0.03 0.53 -0.00 1.13 2.86 -1.51 0.30 114.93 118.22 2d99 h MET 67 Ca 0.36 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.79 2d99 h MET 67 Cb 0.59 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2d99 h MET 67 CO -0.83 0.35 -0.83 0.00 1.06 0.00 0.00 176.91 176.67 2d99 h ALA 68 N 1.71 0.61 -0.18 6.32 0.00 0.33 -1.98 119.26 126.07 2d99 h ALA 68 Ca 0.21 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2d99 h ALA 68 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2d99 h ALA 68 CO -0.06 0.94 -0.29 0.82 0.00 0.00 0.00 179.25 180.66 2d99 h ILE 69 N 0.06 1.34 0.00 0.00 2.04 0.27 1.57 117.51 122.79 2d99 h ILE 69 Ca -0.03 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 2d99 h ILE 69 Cb 1.44 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2d99 h ILE 69 CO 0.12 0.46 -0.07 -0.07 0.00 0.00 0.00 178.15 178.59 2d99 h LEU 70 N 0.17 0.00 0.09 1.44 3.38 -0.49 1.68 115.31 121.58 2d99 h LEU 70 Ca 0.01 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.62 2d99 h LEU 70 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2d99 h LEU 70 CO 0.07 0.07 -2.08 -0.62 0.09 0.00 0.00 178.44 175.97 2d99 n GLU 71 N -3.25 0.73 0.02 1.13 1.02 -0.75 -4.06 120.64 115.48 2d99 n GLU 71 Ca -0.00 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.50 2d99 n GLU 71 Cb 0.29 -1.68 0.38 0.00 -0.02 0.00 0.00 31.44 30.41 2d99 n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2d99 n HIS 72 N -3.39 0.19 -0.29 -0.32 8.25 0.53 -4.02 115.22 116.18 2d99 n HIS 72 Ca -0.33 0.06 0.03 0.00 -0.26 0.00 0.00 57.72 57.21 2d99 n HIS 72 Cb 1.04 -0.48 0.11 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.75 -1.45 0.41 4.64 0.24 1.59 113.55 118.23 2d99 h SER 73 Ca 0.00 0.25 0.42 0.00 -0.47 0.00 0.00 61.79 61.99 2d99 h SER 73 Cb 0.57 0.50 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 2d99 h SER 73 CO 0.00 -0.27 1.20 1.12 -0.87 0.00 0.00 176.83 178.01 2d99 h HIS 74 N 0.00 0.00 0.05 4.77 2.07 -1.82 1.24 115.15 121.47 2d99 h HIS 74 Ca 0.40 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.55 2d99 h HIS 74 Cb 0.61 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.55 2d99 h HIS 74 CO -0.64 0.00 -2.19 0.54 -3.07 0.00 0.00 177.93 172.57 2d99 n ARG 75 N -3.75 0.70 -1.64 5.12 1.74 0.53 -4.93 116.66 114.43 2d99 n ARG 75 Ca 0.32 0.20 -0.59 0.00 -0.77 0.00 0.00 57.85 57.01 2d99 n ARG 75 Cb 1.65 -1.63 -0.08 0.00 -1.02 0.00 0.00 32.46 31.38 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 -3.29 0.08 -3.83 0.55 5.41 0.43 -4.27 119.36 114.44 2d99 n ILE 76 Ca -0.36 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.23 2d99 n ILE 76 Cb 1.04 -0.63 -0.16 0.00 -0.71 0.00 0.00 39.64 39.18 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 1.75 0.06 0.18 0.38 1.81 0.48 -4.91 118.95 118.70 2d99 s ARG 77 Ca 0.95 0.13 -0.13 0.00 -1.72 0.00 0.00 55.73 54.96 2d99 s ARG 77 Cb -1.20 -0.28 -0.07 0.00 -0.45 0.00 0.00 34.95 32.95 2d99 s ARG 77 CO 0.63 -0.13 0.56 -0.06 -0.68 0.00 0.00 175.30 175.62 2d99 s PHE 78 N 0.90 3.54 -0.13 -0.53 0.40 -1.26 0.52 117.98 121.42 2d99 s PHE 78 Ca -0.08 1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 57.26 2d99 s PHE 78 Cb -0.11 -2.35 0.04 0.00 0.51 0.00 0.00 43.02 41.10 2d99 s PHE 78 CO -0.02 0.36 -0.02 0.15 0.70 0.00 0.00 175.22 176.39 2d99 s LYS 79 N -2.27 0.96 0.40 0.44 -0.14 0.52 -4.92 119.74 114.73 2d99 s LYS 79 Ca 0.42 -0.22 -0.04 0.00 -1.36 0.00 0.00 55.97 54.77 2d99 s LYS 79 Cb -0.14 -1.58 -0.04 0.00 -1.68 0.00 0.00 37.83 34.39 2d99 s LYS 79 CO 0.20 -0.41 0.67 -0.51 -0.76 0.00 0.00 175.35 174.54 2d99 s LEU 80 N 1.82 3.84 0.59 3.17 1.43 -1.26 0.10 118.68 128.37 2d99 s LEU 80 Ca 0.03 0.75 0.33 0.00 -1.03 0.00 0.00 54.13 54.20 2d99 s LEU 80 Cb -0.14 -3.65 1.84 0.00 0.03 0.00 0.00 46.19 44.27 2d99 s LEU 80 CO -0.07 -0.41 2.22 0.07 0.23 0.00 0.00 176.35 178.39 2d99 h LYS 81 N 0.71 0.00 -6.20 1.70 2.10 -1.51 -3.42 116.57 109.95 2d99 h LYS 81 Ca -0.48 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.58 2d99 h LYS 81 Cb 1.21 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.46 2d99 h LYS 81 CO 0.62 0.04 -0.58 -0.98 -2.00 0.00 0.00 179.45 176.55 2d99 s ARG 82 N -4.35 2.87 -0.41 0.07 1.04 -1.26 -5.06 118.95 111.85 2d99 s ARG 82 Ca -0.04 -0.83 -0.29 0.00 -1.04 0.00 0.00 55.73 53.53 2d99 s ARG 82 Cb 0.14 -2.65 0.01 0.00 -2.04 0.00 0.00 34.95 30.40 2d99 s ARG 82 CO 0.53 0.50 1.42 -1.25 -0.04 0.00 0.00 175.30 176.46 2d99 s PRO 83 N -2.91 3.56 0.12 3.89 0.04 -1.26 -5.00 135.00 133.45 2d99 s PRO 83 Ca 0.30 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.31 2d99 s PRO 83 Cb -0.11 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 2d99 s PRO 83 CO 0.23 -1.58 0.15 -1.54 0.04 0.00 0.00 177.00 174.30 2d99 s SER 84 N 3.97 5.74 0.44 6.66 1.04 -1.26 -5.12 113.70 125.17 2d99 s SER 84 Ca 0.61 -0.00 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 2d99 s SER 84 Cb -0.14 -1.58 -0.03 0.00 0.10 0.00 0.00 66.02 64.38 2d99 s SER 84 CO 0.33 0.11 0.69 -0.55 0.98 0.00 0.00 173.24 174.80 2d99 s SER 85 N -2.82 6.14 0.00 7.02 0.15 -1.26 -4.96 113.70 117.96 2d99 s SER 85 Ca 0.31 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2d99 s SER 85 Cb -0.11 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2d99 s SER 85 CO 0.24 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2d99 n GLY 86 N -2.09 1.47 0.09 9.45 0.00 -1.26 -4.96 105.19 107.89 2d99 n GLY 86 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 2d99 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d99 h PRO 87 N 0.00 -0.09 -3.14 1.61 0.13 -2.02 -3.47 132.00 125.02 2d99 h PRO 87 Ca 0.00 0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2d99 h PRO 87 Cb 0.00 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 30.87 2d99 h PRO 87 CO 0.00 0.49 -0.48 -1.54 -0.23 0.00 0.00 178.00 176.24 2d99 s SER 88 N -5.74 -0.23 0.00 1.44 1.04 -1.26 -5.15 113.70 103.79 2d99 s SER 88 Ca -0.14 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2d99 s SER 88 Cb -0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2d99 s SER 88 CO 0.54 -0.11 0.00 -1.20 0.98 0.00 0.00 173.24 173.44 2d99 n SER 89 N 3.49 0.00 0.00 7.02 7.64 -1.26 -5.29 113.62 125.22 2d99 n SER 89 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2d99 n SER 89 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64