#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 -6.34 0.00 1.61 7.64 -1.26 -5.00 113.62 110.27 2d99 n SER 2 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2d99 n SER 2 Cb 0.00 -2.43 0.00 0.00 -1.01 0.00 0.00 64.21 60.77 2d99 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d99 n SER 3 N 0.30 0.00 0.00 6.43 7.64 -1.26 -5.12 113.62 121.61 2d99 n SER 3 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2d99 n SER 3 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2d99 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d99 n GLY 4 N 0.00 0.94 0.00 0.23 0.00 -1.26 -4.89 105.19 100.21 2d99 n GLY 4 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2d99 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d99 n SER 5 N 1.34 0.00 -4.80 1.61 3.41 -1.26 -5.13 113.62 108.78 2d99 n SER 5 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2d99 n SER 5 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2d99 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d99 s SER 6 N 0.00 7.20 0.00 4.04 1.04 -1.26 -4.76 113.70 119.95 2d99 s SER 6 Ca 0.00 1.47 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2d99 s SER 6 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2d99 s SER 6 CO 0.00 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2d99 n GLY 7 N 1.36 -0.06 0.10 7.32 0.00 -1.26 -4.93 105.19 107.72 2d99 n GLY 7 Ca -0.06 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.59 117.00 119.90 2d99 n LEU 8 Ca 0.00 0.45 -0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2d99 n LEU 8 Cb 0.00 -0.86 0.29 0.00 -2.33 0.00 0.00 43.42 40.53 2d99 n LEU 8 CO 0.00 -0.01 0.75 -0.09 -1.33 0.00 0.00 177.39 176.71 2d99 h ARG 9 N -1.00 0.24 -0.18 3.23 2.43 -1.95 -2.10 114.38 115.05 2d99 h ARG 9 Ca -0.24 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.75 2d99 h ARG 9 Cb 1.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2d99 h ARG 9 CO -0.15 0.51 -0.27 -0.22 -1.51 0.00 0.00 179.97 178.33 2d99 h LYS 10 N 0.22 0.34 0.41 0.20 1.63 -1.92 0.11 116.57 117.56 2d99 h LYS 10 Ca 0.03 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2d99 h LYS 10 Cb 0.62 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2d99 h LYS 10 CO 0.05 0.59 -0.20 0.52 -3.45 0.00 0.00 179.45 176.96 2d99 h MET 11 N 0.30 -0.53 0.00 1.90 2.86 -1.46 -3.08 114.93 114.93 2d99 h MET 11 Ca 0.04 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2d99 h MET 11 Cb 0.64 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 2d99 h MET 11 CO 0.05 -0.22 -0.06 -0.24 1.06 0.00 0.00 176.91 177.49 2d99 h VAL 12 N -0.98 0.94 -0.58 -2.22 3.04 -1.40 -1.91 116.25 113.14 2d99 h VAL 12 Ca -0.06 -0.21 0.10 0.00 -1.01 0.00 0.00 66.70 65.53 2d99 h VAL 12 Cb 0.55 1.12 -0.08 0.00 -2.01 0.00 0.00 31.29 30.86 2d99 h VAL 12 CO 0.09 0.06 0.14 -0.33 -1.01 0.00 0.00 177.57 176.52 2d99 h GLU 13 N 0.00 0.27 0.00 4.17 4.39 -0.68 -1.21 114.58 121.51 2d99 h GLU 13 Ca -0.00 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 2d99 h GLU 13 Cb 0.11 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2d99 h GLU 13 CO 0.01 0.18 -0.93 1.05 -1.16 0.00 0.00 179.01 178.15 2d99 h GLU 14 N 0.27 0.62 -0.05 2.33 4.11 -1.31 -3.15 114.58 117.40 2d99 h GLU 14 Ca 0.30 -0.68 0.01 0.00 0.07 0.00 0.00 59.36 59.06 2d99 h GLU 14 Cb 0.43 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2d99 h GLU 14 CO -0.37 1.27 -0.06 0.28 0.07 0.00 0.00 179.01 180.20 2d99 h VAL 15 N 0.26 0.00 -1.05 -1.06 2.07 -0.62 1.79 116.25 117.63 2d99 h VAL 15 Ca -0.12 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.69 2d99 h VAL 15 Cb 1.60 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.26 2d99 h VAL 15 CO 0.18 0.00 0.65 -0.26 0.02 0.00 0.00 177.57 178.16 2d99 h PHE 16 N -0.03 0.79 0.62 1.57 0.04 -1.39 0.36 116.94 118.91 2d99 h PHE 16 Ca 0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2d99 h PHE 16 Cb 0.05 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 37.99 2d99 h PHE 16 CO -0.69 0.00 -0.30 -0.44 -0.60 0.00 0.00 178.31 176.28 2d99 h ASP 17 N 0.41 -0.71 -0.32 2.17 5.19 -0.54 0.18 116.42 122.80 2d99 h ASP 17 Ca 0.65 -0.01 0.07 0.00 -0.62 0.00 0.00 57.03 57.12 2d99 h ASP 17 Cb 1.55 0.18 -0.08 0.00 0.18 0.00 0.00 39.33 41.16 2d99 h ASP 17 CO -0.41 -0.33 -0.32 0.58 -3.12 0.00 0.00 179.24 175.64 2d99 h VAL 18 N -1.15 0.25 0.08 -1.35 2.07 0.42 0.50 116.25 117.07 2d99 h VAL 18 Ca -0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2d99 h VAL 18 Cb 0.67 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2d99 h VAL 18 CO 0.14 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 177.31 2d99 h LEU 19 N -0.29 -1.03 -0.47 2.57 3.38 -0.39 0.60 115.31 119.68 2d99 h LEU 19 Ca 0.15 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.34 2d99 h LEU 19 Cb 0.54 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 2d99 h LEU 19 CO -0.48 -0.43 -0.20 0.22 0.09 0.00 0.00 178.44 177.64 2d99 h TYR 20 N -0.56 -0.48 -0.51 1.13 3.20 0.48 0.47 116.97 120.70 2d99 h TYR 20 Ca 0.04 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2d99 h TYR 20 Cb 0.60 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2d99 h TYR 20 CO -0.33 -0.28 0.33 1.03 -1.64 0.00 0.00 178.16 177.27 2d99 h SER 21 N -0.09 0.59 -0.44 -2.11 0.87 0.61 0.57 113.55 113.54 2d99 h SER 21 Ca 0.23 -0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 2d99 h SER 21 Cb 0.44 -0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.17 2d99 h SER 21 CO -0.54 0.43 -0.07 -0.33 -0.53 0.00 0.00 176.83 175.79 2d99 h GLU 22 N 0.69 0.04 -0.21 2.24 5.08 0.20 1.24 114.58 123.85 2d99 h GLU 22 Ca 0.19 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2d99 h GLU 22 Cb -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2d99 h GLU 22 CO -0.04 0.02 -0.21 0.00 -1.00 0.00 0.00 179.01 177.78 2d99 h ALA 23 N 1.43 1.25 0.00 3.43 0.00 -0.57 -1.42 119.26 123.38 2d99 h ALA 23 Ca 0.22 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2d99 h ALA 23 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2d99 h ALA 23 CO -0.43 0.49 -0.22 -0.07 0.00 0.00 0.00 179.25 179.03 2d99 h LEU 24 N 0.34 0.00 -1.50 0.00 3.38 0.16 -3.47 115.31 114.22 2d99 h LEU 24 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 2d99 h LEU 24 Cb 0.56 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.41 2d99 h LEU 24 CO 0.04 0.22 -0.43 0.61 0.09 0.00 0.00 178.44 178.96 2d99 n GLY 25 N 0.32 0.01 4.03 0.83 0.00 0.40 -5.04 105.19 105.74 2d99 n GLY 25 Ca 0.01 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.12 2.34 -0.25 1.61 0.52 -1.02 -5.05 118.95 111.99 2d99 s ARG 26 Ca 0.11 -1.56 -0.03 0.00 -0.52 0.00 0.00 55.73 53.73 2d99 s ARG 26 Cb -0.05 -2.64 -0.17 0.00 0.52 0.00 0.00 34.95 32.61 2d99 s ARG 26 CO 0.43 -0.82 -0.18 0.00 0.02 0.00 0.00 175.30 174.74 2d99 n ALA 27 N -2.23 1.30 -2.21 2.13 0.00 -1.26 -4.88 120.51 113.37 2d99 n ALA 27 Ca 0.15 -1.03 -0.20 0.00 0.00 0.00 0.00 53.44 52.36 2d99 n ALA 27 Cb 0.61 -0.12 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -6.81 5.69 -0.52 0.00 0.01 -1.26 -5.05 113.70 105.76 2d99 s SER 28 Ca -0.34 -0.08 -0.20 0.00 1.31 0.00 0.00 55.95 56.64 2d99 s SER 28 Cb 0.10 -1.09 0.06 0.00 0.21 0.00 0.00 66.02 65.30 2d99 s SER 28 CO 0.59 -0.75 0.69 -0.69 0.41 0.00 0.00 173.24 173.49 2d99 s VAL 29 N -2.46 4.77 0.44 3.43 1.01 -1.26 -4.93 120.40 121.41 2d99 s VAL 29 Ca 0.51 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2d99 s VAL 29 Cb -0.10 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2d99 s VAL 29 CO 0.35 -0.88 0.74 0.68 0.00 0.00 0.00 175.10 175.99 2d99 s VAL 30 N 2.91 4.93 1.04 2.92 -7.23 -1.26 -5.03 120.40 118.68 2d99 s VAL 30 Ca 0.18 0.13 -0.16 0.00 -1.81 0.00 0.00 61.98 60.32 2d99 s VAL 30 Cb -0.18 -3.85 0.22 0.00 0.56 0.00 0.00 36.38 33.13 2d99 s VAL 30 CO 0.13 -0.75 1.20 -2.16 -0.31 0.00 0.00 175.10 173.21 2d99 s PRO 31 N -4.53 0.08 -0.32 4.82 0.04 -1.26 -4.68 135.00 129.15 2d99 s PRO 31 Ca 0.46 -0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.43 2d99 s PRO 31 Cb -0.10 -1.75 0.09 0.00 0.04 0.00 0.00 34.50 32.78 2d99 s PRO 31 CO 0.41 -2.84 0.04 -1.17 0.04 0.00 0.00 177.00 173.48 2d99 s LEU 32 N -6.31 4.09 -1.24 -3.56 2.96 -1.26 -4.97 118.68 108.39 2d99 s LEU 32 Ca 0.70 -1.94 -0.20 0.00 -0.22 0.00 0.00 54.13 52.47 2d99 s LEU 32 Cb -0.09 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 2d99 s LEU 32 CO 0.54 -0.36 1.84 -0.81 -1.32 0.00 0.00 176.35 176.24 2d99 n PRO 33 N 4.39 2.41 -0.08 0.98 -0.04 -1.26 -4.77 135.00 136.63 2d99 n PRO 33 Ca 0.00 -2.87 -0.06 0.00 -0.04 0.00 0.00 63.50 60.53 2d99 n PRO 33 Cb 0.42 -3.60 -0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 8.57 -0.15 -1.47 0.54 0.05 -1.96 0.23 116.97 122.78 2d99 h TYR 34 Ca 0.34 0.03 0.44 0.00 0.05 0.00 0.00 58.73 59.59 2d99 h TYR 34 Cb 0.90 0.11 -0.09 0.00 1.01 0.00 0.00 36.73 38.66 2d99 h TYR 34 CO 1.32 -0.12 1.02 1.05 -1.05 0.00 0.00 178.16 180.37 2d99 h GLU 35 N 0.01 0.06 0.00 4.88 4.11 -1.98 1.80 114.58 123.46 2d99 h GLU 35 Ca 0.15 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 2d99 h GLU 35 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2d99 h GLU 35 CO -0.31 0.04 -0.20 0.54 0.07 0.00 0.00 179.01 179.15 2d99 n ARG 36 N -4.32 0.17 -0.32 1.06 5.12 0.01 -3.63 116.66 114.76 2d99 n ARG 36 Ca 0.36 0.35 0.18 0.00 -1.93 0.00 0.00 57.85 56.80 2d99 n ARG 36 Cb 1.52 -1.11 0.37 0.00 -1.16 0.00 0.00 32.46 32.09 2d99 n ARG 36 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2d99 h LEU 37 N -0.39 0.17 -0.90 0.55 3.38 -0.09 1.55 115.31 119.60 2d99 h LEU 37 Ca 0.00 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2d99 h LEU 37 Cb 0.20 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2d99 h LEU 37 CO 0.00 -0.18 0.55 -0.07 0.09 0.00 0.00 178.44 178.83 2d99 h LEU 38 N 0.23 0.83 -0.19 1.67 3.38 0.25 -1.66 115.31 119.82 2d99 h LEU 38 Ca 0.64 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.63 2d99 h LEU 38 Cb 1.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2d99 h LEU 38 CO -0.66 0.50 0.08 -0.09 0.09 0.00 0.00 178.44 178.36 2d99 h ARG 39 N 0.95 0.28 -4.42 1.13 2.43 0.21 -3.38 114.38 111.58 2d99 h ARG 39 Ca 0.41 -0.05 -0.72 0.00 -0.81 0.00 0.00 59.98 58.81 2d99 h ARG 39 Cb 0.29 -0.05 -0.26 0.00 -0.42 0.00 0.00 29.97 29.53 2d99 h ARG 39 CO -0.21 0.34 -0.43 -1.21 -1.51 0.00 0.00 179.97 176.94 2d99 s GLU 40 N -5.61 2.71 0.15 0.20 0.41 -0.46 -4.93 118.70 111.16 2d99 s GLU 40 Ca -0.14 -1.42 -0.03 0.00 -0.41 0.00 0.00 54.97 52.98 2d99 s GLU 40 Cb 0.07 -3.87 -0.04 0.00 -1.78 0.00 0.00 34.13 28.52 2d99 s GLU 40 CO 0.70 -0.96 1.35 -1.00 -0.49 0.00 0.00 175.26 174.86 2d99 h PRO 41 N 8.49 0.40 -0.38 0.39 0.13 -1.75 -3.24 132.00 136.05 2d99 h PRO 41 Ca -0.24 -0.39 -0.16 0.00 -0.87 0.00 0.00 66.00 64.33 2d99 h PRO 41 Cb 1.09 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2d99 h PRO 41 CO 0.78 1.05 -0.41 0.78 -0.23 0.00 0.00 178.00 179.98 2d99 h GLY 42 N 1.28 1.02 -0.13 1.56 0.00 -1.91 -2.90 103.07 102.00 2d99 h GLY 42 Ca -0.06 -1.07 0.21 0.00 0.00 0.00 0.00 47.33 46.42 2d99 h GLY 42 CO 0.15 0.96 0.44 -2.00 0.00 0.00 0.00 176.54 176.09 2d99 h LEU 43 N 0.76 0.42 -6.55 3.11 5.85 -1.90 -3.13 115.31 113.87 2d99 h LEU 43 Ca 0.06 0.14 0.10 0.00 0.84 0.00 0.00 57.88 59.02 2d99 h LEU 43 Cb 1.01 0.10 -0.21 0.00 0.37 0.00 0.00 40.66 41.92 2d99 h LEU 43 CO 0.10 0.05 -0.12 -0.22 -0.34 0.00 0.00 178.44 177.91 2d99 s LEU 44 N -10.44 -1.13 -0.16 2.25 2.96 -1.14 -1.17 118.68 109.84 2d99 s LEU 44 Ca -0.11 1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.94 2d99 s LEU 44 Cb 0.25 2.14 -0.02 0.00 0.50 0.00 0.00 46.19 49.06 2d99 s LEU 44 CO 0.78 -0.21 -0.04 0.00 -1.32 0.00 0.00 176.35 175.56 2d99 s ALA 45 N 2.84 2.95 -0.36 5.97 0.00 0.19 -4.66 121.76 128.69 2d99 s ALA 45 Ca 0.04 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 2d99 s ALA 45 Cb -0.12 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.44 2d99 s ALA 45 CO -0.19 0.11 0.77 0.08 0.00 0.00 0.00 175.76 176.53 2d99 s VAL 46 N 0.55 4.75 0.35 0.00 1.01 -1.26 -0.62 120.40 125.17 2d99 s VAL 46 Ca -0.03 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.87 2d99 s VAL 46 Cb -0.14 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2d99 s VAL 46 CO 0.03 -0.43 0.20 -1.10 0.00 0.00 0.00 175.10 173.80 2d99 s GLN 47 N 3.07 2.45 -1.22 2.72 -1.52 0.03 -4.62 119.66 120.57 2d99 s GLN 47 Ca 0.31 -1.51 -0.03 0.00 -1.95 0.00 0.00 55.36 52.18 2d99 s GLN 47 Cb -0.13 -2.25 0.00 0.00 -0.22 0.00 0.00 33.01 30.42 2d99 s GLN 47 CO 0.17 0.06 0.34 0.41 -0.25 0.00 0.00 175.29 176.01 2d99 n GLY 48 N -1.24 -0.24 3.80 3.09 0.00 -1.26 -1.00 105.19 108.34 2d99 n GLY 48 Ca -0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.97 2.54 -0.50 0.99 1.43 -1.26 -2.68 118.68 114.23 2d99 s LEU 49 Ca 0.17 1.29 -0.28 0.00 -1.03 0.00 0.00 54.13 54.28 2d99 s LEU 49 Cb -0.07 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.28 2d99 s LEU 49 CO 0.21 -2.04 1.46 -2.16 0.23 0.00 0.00 176.35 174.04 2d99 s PRO 50 N -5.15 3.35 0.22 1.29 0.04 -1.26 -4.94 135.00 128.55 2d99 s PRO 50 Ca 0.61 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 2d99 s PRO 50 Cb -0.15 -4.11 -0.11 0.00 0.04 0.00 0.00 34.50 30.17 2d99 s PRO 50 CO 0.54 -1.86 0.17 0.39 0.04 0.00 0.00 177.00 176.28 2d99 n GLU 51 N 8.49 0.00 -2.61 4.56 1.02 -1.26 -3.06 120.64 127.78 2d99 n GLU 51 Ca 0.15 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2d99 n GLU 51 Cb 0.49 -0.67 0.04 0.00 -0.02 0.00 0.00 31.44 31.28 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 1.49 0.07 0.14 0.62 0.00 -1.26 -5.03 105.19 101.21 2d99 n GLY 52 Ca 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.40 0.00 -3.67 0.99 4.77 -1.17 -5.07 117.00 110.45 2d99 n LEU 53 Ca -0.12 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 2d99 n LEU 53 Cb 0.57 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 2d99 n LEU 53 CO 0.27 -0.03 0.27 0.00 -1.33 0.00 0.00 177.39 176.57 2d99 s ALA 54 N -1.04 -1.47 -0.30 -1.18 0.00 -1.26 -5.04 121.76 111.48 2d99 s ALA 54 Ca 0.01 1.73 -0.29 0.00 0.00 0.00 0.00 51.96 53.41 2d99 s ALA 54 Cb -0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.04 2d99 s ALA 54 CO 0.00 -0.29 2.26 0.34 0.00 0.00 0.00 175.76 178.07 2d99 n PHE 55 N 3.05 1.79 -3.71 0.00 7.35 -1.26 -4.87 117.46 119.80 2d99 n PHE 55 Ca -0.15 -0.01 -0.06 0.00 -0.76 0.00 0.00 57.45 56.47 2d99 n PHE 55 Cb 0.56 -2.67 -0.02 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 6.68 1.33 0.39 -4.13 1.70 -1.26 -5.03 118.95 118.64 2d99 s ARG 56 Ca 1.03 -0.69 -0.16 0.00 -0.47 0.00 0.00 55.73 55.44 2d99 s ARG 56 Cb -0.42 0.49 -0.13 0.00 -0.57 0.00 0.00 34.95 34.32 2d99 s ARG 56 CO 0.37 -0.60 -0.05 0.54 -1.08 0.00 0.00 175.30 174.47 2d99 n ARG 57 N -0.42 0.00 0.21 3.89 1.74 -1.26 -4.79 116.66 116.02 2d99 n ARG 57 Ca -0.07 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.15 2d99 n ARG 57 Cb 0.61 -0.84 0.44 0.00 -1.02 0.00 0.00 32.46 31.65 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 0.08 0.00 0.09 5.56 0.13 -1.95 -2.95 132.00 132.96 2d99 h PRO 58 Ca -0.33 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.50 2d99 h PRO 58 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2d99 h PRO 58 CO 0.36 0.00 -1.50 0.00 -0.23 0.00 0.00 178.00 176.63 2d99 h ALA 59 N 2.11 0.36 0.00 -0.56 0.00 -1.89 -3.27 119.26 116.01 2d99 h ALA 59 Ca 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 54.91 53.73 2d99 h ALA 59 Cb 0.70 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2d99 h ALA 59 CO 0.00 1.23 -0.16 0.93 0.00 0.00 0.00 179.25 181.25 2d99 h GLU 60 N 0.05 0.00 -7.30 0.00 4.39 -1.86 -3.44 114.58 106.42 2d99 h GLU 60 Ca -0.23 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.00 2d99 h GLU 60 Cb 1.98 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 30.80 2d99 h GLU 60 CO 0.14 0.16 0.19 0.71 -1.16 0.00 0.00 179.01 179.05 2d99 s TYR 61 N -3.91 2.05 0.80 4.33 2.02 -1.13 -5.03 117.35 116.47 2d99 s TYR 61 Ca -0.01 1.22 -0.09 0.00 -0.37 0.00 0.00 57.07 57.82 2d99 s TYR 61 Cb 0.12 -3.19 0.18 0.00 -0.40 0.00 0.00 41.96 38.66 2d99 s TYR 61 CO 0.60 -2.80 1.09 -0.25 -1.57 0.00 0.00 175.55 172.62 2d99 n ASP 62 N -4.16 0.52 -0.04 2.29 9.92 -1.26 -4.92 116.55 118.89 2d99 n ASP 62 Ca 0.06 -1.66 -0.13 0.00 -0.53 0.00 0.00 54.79 52.53 2d99 n ASP 62 Cb 0.55 -0.79 -0.11 0.00 -0.64 0.00 0.00 41.12 40.13 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 -0.01 0.00 -0.24 0.13 -1.97 -2.69 132.00 127.23 2d99 h PRO 63 Ca -0.35 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2d99 h PRO 63 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2d99 h PRO 63 CO 0.29 0.73 -0.13 0.87 -0.23 0.00 0.00 178.00 179.53 2d99 h LYS 64 N -0.76 0.00 0.54 0.86 6.56 -1.99 -2.76 116.57 119.02 2d99 h LYS 64 Ca -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2d99 h LYS 64 Cb 0.74 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.41 2d99 h LYS 64 CO 0.00 0.13 -0.26 0.00 -2.06 0.00 0.00 179.45 177.27 2d99 h ALA 65 N 1.87 -0.72 -0.76 3.86 0.00 -1.94 -0.37 119.26 121.20 2d99 h ALA 65 Ca -0.00 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.88 2d99 h ALA 65 Cb 0.45 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 2d99 h ALA 65 CO 0.02 -0.74 0.20 -0.07 0.00 0.00 0.00 179.25 178.65 2d99 h LEU 66 N -1.04 0.04 -1.55 0.00 3.38 -1.30 1.10 115.31 115.94 2d99 h LEU 66 Ca -0.07 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2d99 h LEU 66 Cb 0.62 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2d99 h LEU 66 CO 0.12 -0.04 -0.15 0.24 0.09 0.00 0.00 178.44 178.70 2d99 h MET 67 N 0.28 0.11 0.01 1.13 2.86 -1.41 -0.63 114.93 117.27 2d99 h MET 67 Ca 0.43 -0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.84 2d99 h MET 67 Cb 0.76 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 2d99 h MET 67 CO -0.52 0.26 -1.02 0.00 1.06 0.00 0.00 176.91 176.69 2d99 h ALA 68 N 1.75 0.33 -0.47 6.32 0.00 0.23 -2.77 119.26 124.65 2d99 h ALA 68 Ca 0.02 -0.90 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 2d99 h ALA 68 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2d99 h ALA 68 CO 0.02 1.22 -0.24 0.82 0.00 0.00 0.00 179.25 181.07 2d99 h ILE 69 N 0.01 1.27 0.00 0.00 2.04 0.17 0.62 117.51 121.62 2d99 h ILE 69 Ca -0.02 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.35 2d99 h ILE 69 Cb 1.78 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 2d99 h ILE 69 CO 0.14 0.48 -0.40 -0.07 0.00 0.00 0.00 178.15 178.30 2d99 h LEU 70 N 0.84 0.00 0.23 1.44 3.38 -1.17 1.84 115.31 121.86 2d99 h LEU 70 Ca 0.10 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.75 2d99 h LEU 70 Cb 0.81 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.60 2d99 h LEU 70 CO 0.07 0.40 -1.47 -0.33 0.09 0.00 0.00 178.44 177.20 2d99 h GLU 71 N 0.00 0.48 0.00 1.13 5.08 -1.15 -3.27 114.58 116.85 2d99 h GLU 71 Ca -0.00 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 2d99 h GLU 71 Cb 0.77 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2d99 h GLU 71 CO 0.05 1.40 -0.37 0.72 -1.00 0.00 0.00 179.01 179.81 2d99 n HIS 72 N -3.74 0.17 0.33 4.33 8.25 0.21 -3.75 115.22 121.01 2d99 n HIS 72 Ca -0.18 0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.46 2d99 n HIS 72 Cb 1.07 -0.44 0.70 0.00 1.12 0.00 0.00 29.99 32.44 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 1.04 0.41 4.64 0.28 1.64 113.55 121.57 2d99 h SER 73 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2d99 h SER 73 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2d99 h SER 73 CO 0.00 0.00 -0.07 1.12 -0.87 0.00 0.00 176.83 177.01 2d99 h HIS 74 N 0.00 0.00 -0.01 4.77 2.07 -1.78 -2.75 115.15 117.46 2d99 h HIS 74 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2d99 h HIS 74 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 2d99 h HIS 74 CO 0.00 0.07 -0.07 2.89 -3.07 0.00 0.00 177.93 177.75 2d99 n ARG 75 N -3.19 1.27 -2.33 5.12 1.85 0.54 -4.97 116.66 114.96 2d99 n ARG 75 Ca 0.01 -0.67 -0.43 0.00 -1.00 0.00 0.00 57.85 55.76 2d99 n ARG 75 Cb 0.36 -1.04 -0.02 0.00 -1.05 0.00 0.00 32.46 30.70 2d99 n ARG 75 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2d99 s ILE 76 N -0.83 4.07 -0.01 8.89 1.01 -0.15 -4.18 121.20 130.00 2d99 s ILE 76 Ca 0.06 1.25 0.02 0.00 0.00 0.00 0.00 60.65 61.99 2d99 s ILE 76 Cb 0.05 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 2d99 s ILE 76 CO 0.13 -0.26 -0.07 -0.13 0.00 0.00 0.00 174.94 174.61 2d99 s ARG 77 N 3.95 0.60 0.24 2.79 0.52 -0.17 -4.96 118.95 121.92 2d99 s ARG 77 Ca 0.60 -0.24 -0.08 0.00 -0.52 0.00 0.00 55.73 55.48 2d99 s ARG 77 Cb -0.22 -0.58 -0.07 0.00 0.52 0.00 0.00 34.95 34.60 2d99 s ARG 77 CO 0.21 0.13 0.54 -0.06 0.02 0.00 0.00 175.30 176.15 2d99 s PHE 78 N -0.07 3.44 -0.14 -0.53 0.40 -1.26 -0.79 117.98 119.02 2d99 s PHE 78 Ca 0.01 0.81 -0.01 0.00 -0.60 0.00 0.00 56.93 57.14 2d99 s PHE 78 Cb -0.04 -2.22 0.04 0.00 0.51 0.00 0.00 43.02 41.31 2d99 s PHE 78 CO -0.00 0.25 -0.03 0.15 0.70 0.00 0.00 175.22 176.29 2d99 s LYS 79 N -2.98 1.17 0.12 0.44 -0.14 0.20 -4.88 119.74 113.67 2d99 s LYS 79 Ca 0.46 -0.33 -0.08 0.00 -1.36 0.00 0.00 55.97 54.67 2d99 s LYS 79 Cb -0.11 -1.74 -0.06 0.00 -1.68 0.00 0.00 37.83 34.24 2d99 s LYS 79 CO 0.23 -0.41 0.41 -0.51 -0.76 0.00 0.00 175.35 174.31 2d99 s LEU 80 N 1.75 4.29 0.18 3.17 1.43 -1.26 0.54 118.68 128.78 2d99 s LEU 80 Ca 0.02 0.72 -0.32 0.00 -1.03 0.00 0.00 54.13 53.52 2d99 s LEU 80 Cb -0.14 -3.20 -0.16 0.00 0.03 0.00 0.00 46.19 42.72 2d99 s LEU 80 CO -0.07 0.09 1.07 2.29 0.23 0.00 0.00 176.35 179.96 2d99 n LYS 81 N 0.44 0.97 -3.63 1.70 2.85 -0.32 -4.93 118.16 115.24 2d99 n LYS 81 Ca -0.05 0.34 -0.12 0.00 -1.05 0.00 0.00 58.31 57.44 2d99 n LYS 81 Cb 0.52 -1.77 -0.07 0.00 -0.65 0.00 0.00 35.03 33.06 2d99 n LYS 81 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2d99 s ARG 82 N -0.56 0.77 -1.11 -1.58 0.52 -1.26 -5.06 118.95 110.67 2d99 s ARG 82 Ca 0.72 1.00 -0.17 0.00 -0.52 0.00 0.00 55.73 56.76 2d99 s ARG 82 Cb -0.87 0.33 -0.06 0.00 0.52 0.00 0.00 34.95 34.86 2d99 s ARG 82 CO 0.54 -0.11 2.11 -0.35 0.02 0.00 0.00 175.30 177.51 2d99 n PRO 83 N 3.03 2.19 -3.98 3.54 -0.04 -1.26 -4.88 135.00 133.61 2d99 n PRO 83 Ca -0.15 -2.17 -0.23 0.00 -0.04 0.00 0.00 63.50 60.91 2d99 n PRO 83 Cb 0.56 -3.05 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 2d99 n PRO 83 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d99 s SER 84 N 4.04 4.65 -0.77 3.54 1.04 -1.26 -5.08 113.70 119.86 2d99 s SER 84 Ca 0.52 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 2d99 s SER 84 Cb 0.14 -0.57 0.19 0.00 0.10 0.00 0.00 66.02 65.88 2d99 s SER 84 CO 0.01 -0.51 0.61 -0.94 0.98 0.00 0.00 173.24 173.40 2d99 s SER 85 N -3.95 5.53 -0.39 7.02 1.04 -1.26 -4.99 113.70 116.70 2d99 s SER 85 Ca 0.42 -3.42 0.01 0.00 0.48 0.00 0.00 55.95 53.45 2d99 s SER 85 Cb 0.00 -1.85 0.12 0.00 0.10 0.00 0.00 66.02 64.40 2d99 s SER 85 CO 0.24 -0.24 0.18 -0.83 0.98 0.00 0.00 173.24 173.57 2d99 s GLY 86 N -0.02 1.51 0.08 7.32 0.00 -1.26 -4.96 107.32 109.99 2d99 s GLY 86 Ca 0.23 -2.30 -0.14 0.00 0.00 0.00 0.00 44.72 42.51 2d99 s GLY 86 CO -0.09 1.50 1.23 -0.56 0.00 0.00 0.00 173.10 175.18 2d99 h PRO 87 N 7.25 0.72 -5.21 2.90 0.13 -2.07 -3.49 132.00 132.23 2d99 h PRO 87 Ca -0.06 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2d99 h PRO 87 Cb 0.96 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2d99 h PRO 87 CO 0.49 1.29 -1.13 0.45 -0.23 0.00 0.00 178.00 178.87 2d99 n SER 88 N -3.91 -6.15 -4.37 1.44 2.88 -1.26 -4.95 113.62 97.30 2d99 n SER 88 Ca -0.10 1.35 -0.41 0.00 -1.33 0.00 0.00 58.87 58.38 2d99 n SER 88 Cb 0.82 -5.03 -0.10 0.00 -0.75 0.00 0.00 64.21 59.14 2d99 n SER 88 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d99 s SER 89 N -1.34 5.83 0.00 -3.46 0.15 -1.26 -5.34 113.70 108.27 2d99 s SER 89 Ca -0.07 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2d99 s SER 89 Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2d99 s SER 89 CO 0.73 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.33