#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 -0.69 0.00 1.61 0.01 -1.26 -5.00 113.70 108.37 2d99 s SER 2 Ca 0.00 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2d99 s SER 2 Cb 0.00 1.72 0.00 0.00 0.21 0.00 0.00 66.02 67.95 2d99 s SER 2 CO 0.00 -0.28 0.00 -1.20 0.41 0.00 0.00 173.24 172.17 2d99 n SER 3 N 5.40 0.00 0.00 2.44 7.64 -1.26 -4.38 113.62 123.47 2d99 n SER 3 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2d99 n SER 3 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.39 3.61 0.23 0.00 -1.26 -5.13 105.19 105.02 2d99 n GLY 4 Ca 0.00 0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.63 -3.68 1.61 2.88 -1.26 -4.99 113.62 109.82 2d99 n SER 5 Ca 0.00 1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 58.57 2d99 n SER 5 Cb 0.00 -1.32 -0.08 0.00 -0.75 0.00 0.00 64.21 62.06 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 -0.38 -0.36 0.00 -3.46 0.01 -1.26 -5.05 113.70 103.20 2d99 s SER 6 Ca 0.61 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2d99 s SER 6 Cb -0.70 0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2d99 s SER 6 CO 0.58 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2d99 n GLY 7 N 1.19 4.25 0.33 3.44 0.00 -1.26 -4.71 105.19 108.42 2d99 n GLY 7 Ca -0.20 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.80 -1.59 0.99 3.38 -1.98 1.69 115.31 117.01 2d99 h LEU 8 Ca 0.00 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2d99 h LEU 8 Cb 0.00 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2d99 h LEU 8 CO 0.00 -0.42 -0.12 -0.09 0.09 0.00 0.00 178.44 177.90 2d99 h ARG 9 N -0.62 0.11 -0.00 1.13 2.43 -1.94 -1.13 114.38 114.37 2d99 h ARG 9 Ca -0.01 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2d99 h ARG 9 Cb 0.57 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2d99 h ARG 9 CO -0.06 0.24 -0.78 -0.22 -1.51 0.00 0.00 179.97 177.64 2d99 h LYS 10 N 0.11 0.05 0.12 0.20 1.63 -1.57 -1.27 116.57 115.84 2d99 h LYS 10 Ca 0.02 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2d99 h LYS 10 Cb 0.29 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2d99 h LYS 10 CO 0.02 0.80 -0.06 0.52 -3.45 0.00 0.00 179.45 177.28 2d99 h MET 11 N 0.03 -0.16 -0.17 1.90 2.86 0.37 -2.98 114.93 116.78 2d99 h MET 11 Ca -0.01 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2d99 h MET 11 Cb 1.37 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 2d99 h MET 11 CO 0.11 0.11 -0.36 -0.24 1.06 0.00 0.00 176.91 177.59 2d99 h VAL 12 N -0.42 1.29 -0.74 -2.22 3.04 -1.44 -2.82 116.25 112.94 2d99 h VAL 12 Ca -0.02 -1.44 0.16 0.00 -1.01 0.00 0.00 66.70 64.39 2d99 h VAL 12 Cb 0.34 1.56 -0.14 0.00 -2.01 0.00 0.00 31.29 31.04 2d99 h VAL 12 CO 0.03 0.44 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.57 2d99 h GLU 13 N 0.32 0.03 -0.15 4.17 4.39 -1.08 0.40 114.58 122.66 2d99 h GLU 13 Ca 0.04 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.56 2d99 h GLU 13 Cb 0.78 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2d99 h GLU 13 CO 0.06 0.02 -0.64 1.05 -1.16 0.00 0.00 179.01 178.34 2d99 h GLU 14 N 0.03 0.53 0.00 2.33 4.11 -1.42 -3.06 114.58 117.10 2d99 h GLU 14 Ca 0.37 -0.38 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2d99 h GLU 14 Cb 0.60 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2d99 h GLU 14 CO -0.73 1.00 0.00 0.28 0.07 0.00 0.00 179.01 179.63 2d99 n VAL 15 N -3.91 0.00 -0.13 -1.06 0.31 0.11 0.21 118.33 113.86 2d99 n VAL 15 Ca -0.04 1.46 0.27 0.00 -0.01 0.00 0.00 64.34 66.02 2d99 n VAL 15 Cb 0.66 -2.31 0.60 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.00 3.52 0.04 -0.93 0.15 116.94 119.72 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 -0.12 0.00 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.14 2d99 h ASP 17 N 0.00 0.00 -0.94 2.17 5.19 -1.07 -2.37 116.42 119.40 2d99 h ASP 17 Ca 0.41 0.00 0.23 0.00 -0.62 0.00 0.00 57.03 57.04 2d99 h ASP 17 Cb 2.21 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 41.54 2d99 h ASP 17 CO -0.00 0.25 -0.06 0.58 -3.12 0.00 0.00 179.24 176.88 2d99 h VAL 18 N -0.48 0.08 0.30 -1.35 2.07 0.40 1.06 116.25 118.32 2d99 h VAL 18 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2d99 h VAL 18 Cb 0.01 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2d99 h VAL 18 CO 0.00 0.00 -0.16 -0.07 0.02 0.00 0.00 177.57 177.37 2d99 h LEU 19 N 0.02 -0.38 -0.41 2.57 3.38 -0.92 0.51 115.31 120.09 2d99 h LEU 19 Ca 0.52 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.57 2d99 h LEU 19 Cb 0.97 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2d99 h LEU 19 CO -0.90 -0.26 0.09 0.22 0.09 0.00 0.00 178.44 177.68 2d99 h TYR 20 N -0.42 0.15 -0.81 1.13 3.20 0.77 0.30 116.97 121.29 2d99 h TYR 20 Ca -0.04 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2d99 h TYR 20 Cb 0.33 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2d99 h TYR 20 CO -0.07 0.02 0.35 1.03 -1.64 0.00 0.00 178.16 177.86 2d99 h SER 21 N 0.23 1.10 0.04 -2.11 0.87 0.11 0.03 113.55 113.81 2d99 h SER 21 Ca 0.20 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2d99 h SER 21 Cb 0.23 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2d99 h SER 21 CO -0.25 0.95 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.59 2d99 h GLU 22 N 1.17 -0.16 0.00 2.24 4.39 0.12 0.52 114.58 122.86 2d99 h GLU 22 Ca 0.27 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 2d99 h GLU 22 Cb 0.18 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2d99 h GLU 22 CO -0.03 -0.11 -0.14 0.00 -1.16 0.00 0.00 179.01 177.57 2d99 h ALA 23 N 0.78 1.33 0.00 3.43 0.00 -0.73 -0.53 119.26 123.54 2d99 h ALA 23 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2d99 h ALA 23 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2d99 h ALA 23 CO -0.06 0.18 -0.49 -0.07 0.00 0.00 0.00 179.25 178.81 2d99 h LEU 24 N 0.00 0.00 0.70 0.00 3.38 0.42 -2.89 115.31 116.92 2d99 h LEU 24 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2d99 h LEU 24 Cb 0.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.13 2d99 h LEU 24 CO 0.02 0.49 -0.29 0.61 0.09 0.00 0.00 178.44 179.36 2d99 n GLY 25 N 1.05 0.02 3.97 0.83 0.00 0.17 -4.85 105.19 106.39 2d99 n GLY 25 Ca 0.02 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.90 1.07 -0.26 1.61 1.81 -0.98 -5.05 118.95 112.25 2d99 s ARG 26 Ca 0.10 -0.94 -0.08 0.00 -1.72 0.00 0.00 55.73 53.09 2d99 s ARG 26 Cb -0.04 -2.12 -0.15 0.00 -0.45 0.00 0.00 34.95 32.18 2d99 s ARG 26 CO 0.12 -1.97 -0.24 0.00 -0.68 0.00 0.00 175.30 172.54 2d99 n ALA 27 N -3.28 1.24 -2.51 2.13 0.00 -1.26 -4.90 120.51 111.94 2d99 n ALA 27 Ca 0.17 -1.04 -0.23 0.00 0.00 0.00 0.00 53.44 52.33 2d99 n ALA 27 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -7.08 6.10 -0.43 0.00 0.01 -1.26 -5.05 113.70 105.99 2d99 s SER 28 Ca -0.36 0.38 -0.24 0.00 1.31 0.00 0.00 55.95 57.04 2d99 s SER 28 Cb 0.12 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.56 2d99 s SER 28 CO 0.55 -0.47 0.82 -0.69 0.41 0.00 0.00 173.24 173.86 2d99 s VAL 29 N -2.42 4.63 0.24 3.43 1.01 -1.26 -4.92 120.40 121.11 2d99 s VAL 29 Ca 0.44 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 2d99 s VAL 29 Cb -0.10 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 2d99 s VAL 29 CO 0.37 -0.67 0.46 0.68 0.00 0.00 0.00 175.10 175.94 2d99 s VAL 30 N 3.35 5.13 1.00 2.92 -7.23 -1.26 -5.03 120.40 119.27 2d99 s VAL 30 Ca 0.32 -0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 60.15 2d99 s VAL 30 Cb -0.12 -3.74 0.19 0.00 0.56 0.00 0.00 36.38 33.28 2d99 s VAL 30 CO 0.22 -0.24 1.18 -2.16 -0.31 0.00 0.00 175.10 173.79 2d99 s PRO 31 N -3.43 0.41 -0.36 4.82 0.04 -1.26 -4.62 135.00 130.59 2d99 s PRO 31 Ca 0.41 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2d99 s PRO 31 Cb -0.11 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.75 2d99 s PRO 31 CO 0.29 -2.64 0.11 -1.17 0.04 0.00 0.00 177.00 173.64 2d99 s LEU 32 N -6.22 4.86 -1.20 -3.56 2.96 -1.26 -4.96 118.68 109.30 2d99 s LEU 32 Ca 0.68 -2.00 -0.20 0.00 -0.22 0.00 0.00 54.13 52.40 2d99 s LEU 32 Cb -0.11 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2d99 s LEU 32 CO 0.54 -0.44 1.91 -0.81 -1.32 0.00 0.00 176.35 176.23 2d99 n PRO 33 N 4.44 2.33 -0.00 0.98 -0.04 -1.26 -4.77 135.00 136.68 2d99 n PRO 33 Ca -0.01 -2.67 -0.11 0.00 -0.04 0.00 0.00 63.50 60.68 2d99 n PRO 33 Cb 0.42 -3.45 -0.04 0.00 -0.04 0.00 0.00 33.50 30.39 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 8.10 -0.89 -1.83 0.54 0.05 -1.96 0.19 116.97 121.16 2d99 h TYR 34 Ca 0.39 0.04 0.54 0.00 0.05 0.00 0.00 58.73 59.74 2d99 h TYR 34 Cb 0.82 0.41 -0.08 0.00 1.01 0.00 0.00 36.73 38.90 2d99 h TYR 34 CO 1.33 -0.40 1.31 -0.85 -1.05 0.00 0.00 178.16 178.50 2d99 n GLU 35 N -5.41 -0.00 -0.02 4.88 0.28 -1.26 0.21 120.64 119.31 2d99 n GLU 35 Ca -0.03 1.03 -0.02 0.00 -0.16 0.00 0.00 57.16 57.98 2d99 n GLU 35 Cb 0.33 -2.36 -0.01 0.00 1.43 0.00 0.00 31.44 30.83 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 -3.86 0.15 -0.36 3.44 5.12 0.33 -3.78 116.66 117.71 2d99 n ARG 36 Ca 0.42 0.26 0.28 0.00 -1.93 0.00 0.00 57.85 56.88 2d99 n ARG 36 Cb 1.88 -0.97 0.54 0.00 -1.16 0.00 0.00 32.46 32.75 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 -0.31 0.41 -0.54 0.55 3.38 0.40 1.51 115.31 120.71 2d99 h LEU 37 Ca 0.00 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2d99 h LEU 37 Cb 0.20 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2d99 h LEU 37 CO 0.00 -0.16 0.31 -0.07 0.09 0.00 0.00 178.44 178.61 2d99 h LEU 38 N 0.22 0.49 -0.73 1.67 3.38 0.23 -1.76 115.31 118.82 2d99 h LEU 38 Ca 0.76 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.85 2d99 h LEU 38 Cb 1.98 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.56 2d99 h LEU 38 CO -0.54 0.34 0.33 -0.09 0.09 0.00 0.00 178.44 178.57 2d99 h ARG 39 N 0.61 0.52 -4.72 1.13 2.43 0.20 -3.34 114.38 111.22 2d99 h ARG 39 Ca 0.22 -0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.69 2d99 h ARG 39 Cb 0.05 -0.12 -0.38 0.00 -0.42 0.00 0.00 29.97 29.11 2d99 h ARG 39 CO -0.11 0.34 -0.72 -1.83 -1.51 0.00 0.00 179.97 176.14 2d99 s GLU 40 N -6.04 1.83 0.47 0.20 -1.05 -0.66 -4.94 118.70 108.51 2d99 s GLU 40 Ca -0.12 -1.67 0.27 0.00 -0.15 0.00 0.00 54.97 53.29 2d99 s GLU 40 Cb 0.19 -3.17 0.79 0.00 -0.44 0.00 0.00 34.13 31.51 2d99 s GLU 40 CO 0.76 -0.83 1.77 -1.00 0.95 0.00 0.00 175.26 176.92 2d99 h PRO 41 N 7.74 0.00 0.02 -4.83 0.13 -1.68 -3.05 132.00 130.33 2d99 h PRO 41 Ca -0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.53 0.07 -0.94 0.78 -0.23 0.00 0.00 178.00 178.20 2d99 h GLY 42 N 2.94 0.22 0.84 1.56 0.00 -1.92 -3.10 103.07 103.60 2d99 h GLY 42 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.95 2d99 h GLY 42 CO 0.01 0.37 0.51 -2.00 0.00 0.00 0.00 176.54 175.42 2d99 h LEU 43 N 0.10 0.83 -6.60 3.11 5.85 -1.86 -3.37 115.31 113.37 2d99 h LEU 43 Ca -0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2d99 h LEU 43 Cb 1.60 -0.18 -0.25 0.00 0.37 0.00 0.00 40.66 42.21 2d99 h LEU 43 CO 0.14 0.56 -0.33 -0.22 -0.34 0.00 0.00 178.44 178.26 2d99 s LEU 44 N -10.18 -0.94 -0.17 2.25 2.96 -1.22 -0.89 118.68 110.49 2d99 s LEU 44 Ca -0.13 0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 2d99 s LEU 44 Cb 0.17 1.69 -0.03 0.00 0.50 0.00 0.00 46.19 48.52 2d99 s LEU 44 CO 0.78 -0.26 -0.01 0.00 -1.32 0.00 0.00 176.35 175.55 2d99 s ALA 45 N 2.72 3.09 -0.27 5.97 0.00 0.33 -4.69 121.76 128.92 2d99 s ALA 45 Ca 0.08 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 2d99 s ALA 45 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2d99 s ALA 45 CO -0.17 0.10 0.61 0.08 0.00 0.00 0.00 175.76 176.38 2d99 s VAL 46 N 0.54 4.99 0.30 0.00 1.01 -1.26 -1.37 120.40 124.62 2d99 s VAL 46 Ca -0.01 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.09 2d99 s VAL 46 Cb -0.14 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2d99 s VAL 46 CO 0.02 0.01 -0.01 -1.10 0.00 0.00 0.00 175.10 174.02 2d99 s GLN 47 N 2.49 2.15 -1.03 2.72 -1.52 0.09 -4.65 119.66 119.90 2d99 s GLN 47 Ca 0.25 -1.59 -0.01 0.00 -1.95 0.00 0.00 55.36 52.06 2d99 s GLN 47 Cb -0.15 -2.03 0.00 0.00 -0.22 0.00 0.00 33.01 30.61 2d99 s GLN 47 CO 0.09 0.25 0.13 0.41 -0.25 0.00 0.00 175.29 175.92 2d99 n GLY 48 N -0.91 -0.11 3.76 3.09 0.00 -1.26 -0.58 105.19 109.18 2d99 n GLY 48 Ca -0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.82 2.44 -0.51 0.99 1.43 -1.26 -2.97 118.68 114.98 2d99 s LEU 49 Ca 0.06 1.39 -0.28 0.00 -1.03 0.00 0.00 54.13 54.28 2d99 s LEU 49 Cb -0.03 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.29 2d99 s LEU 49 CO 0.08 -2.30 1.47 -2.16 0.23 0.00 0.00 176.35 173.67 2d99 s PRO 50 N -5.05 3.33 0.23 1.29 0.04 -1.26 -4.94 135.00 128.63 2d99 s PRO 50 Ca 0.62 0.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 2d99 s PRO 50 Cb -0.16 -4.12 -0.10 0.00 0.04 0.00 0.00 34.50 30.15 2d99 s PRO 50 CO 0.55 -1.89 0.13 0.39 0.04 0.00 0.00 177.00 176.22 2d99 n GLU 51 N 8.53 0.00 -2.62 4.56 1.02 -1.26 -3.10 120.64 127.77 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 -0.65 0.04 0.00 -0.02 0.00 0.00 31.44 31.30 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 1.46 0.09 0.00 0.62 0.00 -1.26 -5.03 105.19 101.07 2d99 n GLY 52 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.66 0.99 4.77 -1.18 -5.06 117.00 110.49 2d99 n LEU 53 Ca -0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 2d99 n LEU 53 Cb 0.57 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 2d99 n LEU 53 CO 0.27 0.00 0.30 0.00 -1.33 0.00 0.00 177.39 176.63 2d99 s ALA 54 N -1.00 -1.53 -0.31 -1.18 0.00 -1.26 -5.04 121.76 111.44 2d99 s ALA 54 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 2d99 s ALA 54 Cb 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.02 2d99 s ALA 54 CO 0.00 -0.30 2.26 0.34 0.00 0.00 0.00 175.76 178.07 2d99 n PHE 55 N 2.91 1.77 -3.65 0.00 7.35 -1.26 -4.87 117.46 119.71 2d99 n PHE 55 Ca -0.15 0.01 -0.07 0.00 -0.76 0.00 0.00 57.45 56.48 2d99 n PHE 55 Cb 0.56 -2.67 -0.02 0.00 0.35 0.00 0.00 39.48 37.71 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 6.72 1.25 0.56 -4.13 1.70 -1.26 -5.04 118.95 118.74 2d99 s ARG 56 Ca 1.03 -0.61 -0.15 0.00 -0.47 0.00 0.00 55.73 55.54 2d99 s ARG 56 Cb -0.44 0.48 -0.13 0.00 -0.57 0.00 0.00 34.95 34.30 2d99 s ARG 56 CO 0.37 -0.56 -0.29 0.54 -1.08 0.00 0.00 175.30 174.28 2d99 n ARG 57 N -0.40 0.00 0.22 3.89 1.74 -1.26 -4.81 116.66 116.04 2d99 n ARG 57 Ca -0.08 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.14 2d99 n ARG 57 Cb 0.61 -0.84 0.44 0.00 -1.02 0.00 0.00 32.46 31.66 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 -0.27 0.00 0.13 5.56 0.13 -1.96 -3.03 132.00 132.56 2d99 h PRO 58 Ca -0.35 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.46 2d99 h PRO 58 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2d99 h PRO 58 CO 0.30 0.00 -1.57 0.00 -0.23 0.00 0.00 178.00 176.50 2d99 h ALA 59 N 2.10 0.24 0.00 -0.56 0.00 -1.89 -3.23 119.26 115.92 2d99 h ALA 59 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2d99 h ALA 59 Cb 0.70 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2d99 h ALA 59 CO 0.00 1.11 0.00 0.39 0.00 0.00 0.00 179.25 180.75 2d99 n GLU 60 N -3.48 0.11 -2.10 0.00 1.02 -1.15 -4.71 120.64 110.33 2d99 n GLU 60 Ca -0.18 0.44 -0.29 0.00 -0.02 0.00 0.00 57.16 57.11 2d99 n GLU 60 Cb 1.05 -1.76 0.03 0.00 -0.02 0.00 0.00 31.44 30.74 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 -3.25 3.40 0.79 -0.32 2.02 -1.19 -5.01 117.35 113.79 2d99 s TYR 61 Ca 0.03 0.96 -0.11 0.00 -0.37 0.00 0.00 57.07 57.59 2d99 s TYR 61 Cb 0.08 -2.82 0.18 0.00 -0.40 0.00 0.00 41.96 38.99 2d99 s TYR 61 CO 0.27 -0.88 1.07 -0.25 -1.57 0.00 0.00 175.55 174.19 2d99 n ASP 62 N -2.75 0.36 -0.02 2.29 9.92 -1.26 -4.91 116.55 120.18 2d99 n ASP 62 Ca 0.05 -1.56 -0.16 0.00 -0.53 0.00 0.00 54.79 52.60 2d99 n ASP 62 Cb 0.56 -0.79 -0.11 0.00 -0.64 0.00 0.00 41.12 40.15 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 0.32 0.00 -0.24 0.13 -1.97 -2.65 132.00 127.59 2d99 h PRO 63 Ca -0.35 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 2d99 h PRO 63 Cb 1.03 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2d99 h PRO 63 CO 0.27 0.99 -0.04 0.87 -0.23 0.00 0.00 178.00 179.86 2d99 h LYS 64 N -0.23 0.00 0.29 0.86 6.56 -1.99 -2.89 116.57 119.17 2d99 h LYS 64 Ca -0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2d99 h LYS 64 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 2d99 h LYS 64 CO 0.08 0.04 -0.14 0.00 -2.06 0.00 0.00 179.45 177.37 2d99 h ALA 65 N 1.96 -0.39 -0.91 3.86 0.00 -1.92 -0.89 119.26 120.97 2d99 h ALA 65 Ca -0.00 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.90 2d99 h ALA 65 Cb 0.57 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 2d99 h ALA 65 CO 0.01 -0.46 0.49 -0.07 0.00 0.00 0.00 179.25 179.21 2d99 h LEU 66 N -0.90 0.58 -1.23 0.00 3.38 -1.39 0.81 115.31 116.55 2d99 h LEU 66 Ca -0.04 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2d99 h LEU 66 Cb 0.51 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2d99 h LEU 66 CO 0.07 0.19 -0.38 0.24 0.09 0.00 0.00 178.44 178.65 2d99 h MET 67 N 0.62 0.00 0.00 1.13 2.86 -1.48 -0.57 114.93 117.49 2d99 h MET 67 Ca 0.53 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.08 2d99 h MET 67 Cb 0.83 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 2d99 h MET 67 CO -0.41 0.38 -0.48 0.00 1.06 0.00 0.00 176.91 177.46 2d99 h ALA 68 N 1.62 0.73 0.11 6.32 0.00 0.18 -2.69 119.26 125.53 2d99 h ALA 68 Ca -0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 2d99 h ALA 68 Cb 0.70 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.48 2d99 h ALA 68 CO 0.05 0.51 -1.11 0.82 0.00 0.00 0.00 179.25 179.51 2d99 h ILE 69 N 0.00 1.33 0.00 0.00 2.04 0.83 0.20 117.51 121.91 2d99 h ILE 69 Ca -0.01 -2.43 -0.03 0.00 1.00 0.00 0.00 64.86 63.39 2d99 h ILE 69 Cb 1.31 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 40.15 2d99 h ILE 69 CO 0.05 0.73 -0.16 -0.07 0.00 0.00 0.00 178.15 178.69 2d99 h LEU 70 N 0.13 0.00 0.14 1.44 3.38 -1.16 1.67 115.31 120.91 2d99 h LEU 70 Ca -0.17 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.44 2d99 h LEU 70 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2d99 h LEU 70 CO 0.21 0.16 -1.87 -0.33 0.09 0.00 0.00 178.44 176.71 2d99 h GLU 71 N 0.00 0.30 0.00 1.13 5.08 -1.43 -3.33 114.58 116.33 2d99 h GLU 71 Ca -0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2d99 h GLU 71 Cb 0.59 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2d99 h GLU 71 CO 0.02 1.22 -0.36 0.72 -1.00 0.00 0.00 179.01 179.61 2d99 n HIS 72 N -3.50 0.10 0.33 4.33 8.25 0.70 -3.77 115.22 121.66 2d99 n HIS 72 Ca -0.28 0.03 0.14 0.00 -0.26 0.00 0.00 57.72 57.35 2d99 n HIS 72 Cb 1.06 -0.39 0.73 0.00 1.12 0.00 0.00 29.99 32.51 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 0.96 0.41 4.64 0.24 1.54 113.55 121.34 2d99 h SER 73 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2d99 h SER 73 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2d99 h SER 73 CO 0.00 0.00 -0.09 1.12 -0.87 0.00 0.00 176.83 176.99 2d99 h HIS 74 N 0.00 0.00 -0.01 4.77 2.07 -1.81 -2.64 115.15 117.53 2d99 h HIS 74 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 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 0.09 -0.03 2.89 -3.07 0.00 0.00 177.93 177.81 2d99 n ARG 75 N -3.23 0.46 -2.40 5.12 1.85 0.51 -4.98 116.66 114.00 2d99 n ARG 75 Ca 0.00 -0.86 -0.42 0.00 -1.00 0.00 0.00 57.85 55.57 2d99 n ARG 75 Cb 0.35 -1.11 -0.03 0.00 -1.05 0.00 0.00 32.46 30.62 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 -0.71 4.15 -0.02 8.89 1.01 -0.30 -4.18 121.20 130.05 2d99 s ILE 76 Ca 0.08 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.22 2d99 s ILE 76 Cb 0.06 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2d99 s ILE 76 CO 0.11 -0.03 -0.04 -0.13 0.00 0.00 0.00 174.94 174.85 2d99 s ARG 77 N 2.55 0.49 0.19 2.79 1.81 0.25 -4.97 118.95 122.07 2d99 s ARG 77 Ca 0.57 -0.13 -0.05 0.00 -1.72 0.00 0.00 55.73 54.40 2d99 s ARG 77 Cb -0.25 -0.51 -0.06 0.00 -0.45 0.00 0.00 34.95 33.68 2d99 s ARG 77 CO 0.21 0.04 0.44 -0.06 -0.68 0.00 0.00 175.30 175.25 2d99 s PHE 78 N 0.25 3.46 -0.12 -0.53 0.40 -1.26 -0.73 117.98 119.45 2d99 s PHE 78 Ca -0.03 0.61 -0.02 0.00 -0.60 0.00 0.00 56.93 56.89 2d99 s PHE 78 Cb -0.06 -2.05 0.04 0.00 0.51 0.00 0.00 43.02 41.45 2d99 s PHE 78 CO -0.00 0.35 0.00 0.15 0.70 0.00 0.00 175.22 176.42 2d99 s LYS 79 N -2.92 0.77 0.41 0.44 -0.14 -0.47 -4.53 119.74 113.30 2d99 s LYS 79 Ca 0.42 -0.15 -0.00 0.00 -1.36 0.00 0.00 55.97 54.88 2d99 s LYS 79 Cb -0.12 -1.50 -0.02 0.00 -1.68 0.00 0.00 37.83 34.52 2d99 s LYS 79 CO 0.25 -0.43 0.63 -0.51 -0.76 0.00 0.00 175.35 174.53 2d99 s LEU 80 N 1.89 3.81 0.00 3.17 1.43 -1.26 -0.51 118.68 127.21 2d99 s LEU 80 Ca 0.03 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2d99 s LEU 80 Cb -0.14 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2d99 s LEU 80 CO -0.07 -0.50 0.00 1.17 0.23 0.00 0.00 176.35 177.18 2d99 n LYS 81 N -1.96 0.00 -1.09 1.70 4.81 -0.07 -4.91 118.16 116.64 2d99 n LYS 81 Ca -0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.08 2d99 n LYS 81 Cb 0.57 -0.02 0.01 0.00 0.02 0.00 0.00 35.03 35.61 2d99 n LYS 81 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2d99 n ARG 82 N -0.00 0.00 -0.35 1.64 1.74 -1.26 -4.94 116.66 113.49 2d99 n ARG 82 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 2d99 n ARG 82 Cb 0.00 -0.89 0.05 0.00 -1.02 0.00 0.00 32.46 30.60 2d99 n ARG 82 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2d99 n PRO 83 N 1.47 -0.90 -1.64 5.56 -0.04 -1.26 -4.93 135.00 133.26 2d99 n PRO 83 Ca 0.06 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 2d99 n PRO 83 Cb 0.43 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 2d99 n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d99 n SER 84 N -3.32 -8.69 -2.64 3.54 7.64 -1.26 -4.94 113.62 103.95 2d99 n SER 84 Ca 0.04 1.24 -0.05 0.00 1.01 0.00 0.00 58.87 61.10 2d99 n SER 84 Cb 0.14 -4.69 -0.05 0.00 -1.01 0.00 0.00 64.21 58.60 2d99 n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d99 n SER 85 N -0.35 -0.80 -0.48 6.43 7.64 -1.26 -5.01 113.62 119.79 2d99 n SER 85 Ca 0.00 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.21 2d99 n SER 85 Cb 0.00 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.18 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 1.79 5.33 3.77 0.23 0.00 -1.09 -4.55 105.19 110.67 2d99 n GLY 86 Ca -0.40 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.09 -0.14 0.00 1.61 0.04 -1.26 -3.91 135.00 131.25 2d99 s PRO 87 Ca 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2d99 s PRO 87 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2d99 s PRO 87 CO 0.00 -2.97 0.00 -1.13 0.04 0.00 0.00 177.00 172.94 2d99 n SER 88 N -4.21 0.00 -4.58 6.66 3.41 -1.26 -4.98 113.62 108.66 2d99 n SER 88 Ca 0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.35 2d99 n SER 88 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 2d99 n SER 88 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d99 s SER 89 N 0.00 6.23 0.00 4.04 0.01 -1.26 -5.08 113.70 117.65 2d99 s SER 89 Ca 0.00 0.07 0.20 0.00 1.31 0.00 0.00 55.95 57.53 2d99 s SER 89 Cb 0.00 -2.21 0.16 0.00 0.21 0.00 0.00 66.02 64.17 2d99 s SER 89 CO 0.00 -0.28 1.13 0.61 0.41 0.00 0.00 173.24 175.11