#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 -6.02 -3.56 1.61 2.88 -1.26 -4.99 113.62 102.29 2d99 n SER 2 Ca 0.00 0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.57 2d99 n SER 2 Cb 0.00 -1.59 -0.09 0.00 -0.75 0.00 0.00 64.21 61.77 2d99 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d99 s SER 3 N -1.23 -0.02 -0.30 -3.46 0.01 -1.26 -5.11 113.70 102.33 2d99 s SER 3 Ca 0.19 0.70 -0.00 0.00 1.31 0.00 0.00 55.95 58.15 2d99 s SER 3 Cb -0.02 1.20 0.14 0.00 0.21 0.00 0.00 66.02 67.55 2d99 s SER 3 CO 0.44 -0.25 0.30 -0.83 0.41 0.00 0.00 173.24 173.30 2d99 s GLY 4 N 2.57 -0.05 -0.27 3.44 0.00 -1.26 -5.10 107.32 106.65 2d99 s GLY 4 Ca 0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 2d99 s GLY 4 CO -0.13 2.61 0.47 -0.45 0.00 0.00 0.00 173.10 175.61 2d99 s SER 5 N 2.16 -0.47 0.60 1.64 0.15 -1.26 -5.12 113.70 111.39 2d99 s SER 5 Ca 0.11 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2d99 s SER 5 Cb -0.14 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 2d99 s SER 5 CO -0.28 -0.28 0.00 -1.20 1.20 0.00 0.00 173.24 172.68 2d99 n SER 6 N 5.39 -7.64 0.00 5.45 7.64 -1.26 -5.07 113.62 118.14 2d99 n SER 6 Ca -0.03 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2d99 n SER 6 Cb 0.50 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.92 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 -4.26 1.01 0.14 0.23 0.00 -1.26 -4.80 105.19 96.25 2d99 n GLY 7 Ca -0.09 -0.88 -0.04 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 -0.24 -2.31 0.99 3.38 -1.98 -0.51 115.31 114.64 2d99 h LEU 8 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2d99 h LEU 8 Cb 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2d99 h LEU 8 CO 0.00 0.13 0.08 -0.09 0.09 0.00 0.00 178.44 178.64 2d99 h ARG 9 N -0.87 0.00 0.03 1.13 1.12 -1.95 0.16 114.38 114.00 2d99 h ARG 9 Ca -0.03 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.62 2d99 h ARG 9 Cb 0.21 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 2d99 h ARG 9 CO 0.05 0.00 -1.00 -0.22 -3.11 0.00 0.00 179.97 175.69 2d99 h LYS 10 N 0.00 0.16 0.61 0.20 1.63 -1.91 -2.47 116.57 114.79 2d99 h LYS 10 Ca 0.03 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 2d99 h LYS 10 Cb 0.19 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2d99 h LYS 10 CO -0.00 1.03 -0.29 0.52 -3.45 0.00 0.00 179.45 177.26 2d99 h MET 11 N 0.07 -0.79 -0.39 1.90 2.86 0.10 -3.04 114.93 115.64 2d99 h MET 11 Ca -0.06 0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2d99 h MET 11 Cb 1.69 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.51 2d99 h MET 11 CO 0.15 -0.53 0.27 -0.24 1.06 0.00 0.00 176.91 177.62 2d99 h VAL 12 N -1.09 0.88 -0.75 -2.22 3.04 -1.47 -0.67 116.25 113.97 2d99 h VAL 12 Ca -0.08 -0.05 0.14 0.00 -1.01 0.00 0.00 66.70 65.70 2d99 h VAL 12 Cb 0.63 0.72 -0.10 0.00 -2.01 0.00 0.00 31.29 30.53 2d99 h VAL 12 CO 0.14 0.03 0.28 -0.33 -1.01 0.00 0.00 177.57 176.67 2d99 h GLU 13 N 0.14 0.40 0.04 4.17 4.39 -1.33 -0.73 114.58 121.67 2d99 h GLU 13 Ca 0.18 -0.02 -0.28 0.00 0.34 0.00 0.00 59.36 59.58 2d99 h GLU 13 Cb 0.53 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2d99 h GLU 13 CO -0.02 0.26 -1.11 1.05 -1.16 0.00 0.00 179.01 178.03 2d99 h GLU 14 N 0.41 0.68 0.00 2.33 4.11 -1.05 -3.16 114.58 117.90 2d99 h GLU 14 Ca 0.41 -0.79 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2d99 h GLU 14 Cb 0.64 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2d99 h GLU 14 CO -0.42 1.35 0.00 0.28 0.07 0.00 0.00 179.01 180.29 2d99 n VAL 15 N -3.84 0.00 -0.32 -1.06 0.31 -0.41 0.21 118.33 113.22 2d99 n VAL 15 Ca -0.12 1.42 0.21 0.00 -0.01 0.00 0.00 64.34 65.84 2d99 n VAL 15 Cb 0.92 -2.10 0.43 0.00 -0.91 0.00 0.00 33.84 32.17 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 0.69 0.81 3.52 0.04 -1.36 0.36 116.94 120.99 2d99 h PHE 16 Ca 0.00 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2d99 h PHE 16 Cb 0.00 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.01 2d99 h PHE 16 CO -0.43 -0.25 -0.39 -0.44 -0.60 0.00 0.00 178.31 176.20 2d99 h ASP 17 N 0.23 -0.92 -0.29 2.17 5.19 -1.09 0.17 116.42 121.87 2d99 h ASP 17 Ca 0.69 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 57.18 2d99 h ASP 17 Cb 1.57 0.24 -0.08 0.00 0.18 0.00 0.00 39.33 41.24 2d99 h ASP 17 CO -0.67 -0.56 -0.51 0.58 -3.12 0.00 0.00 179.24 174.96 2d99 h VAL 18 N -1.28 0.04 -0.19 -1.35 2.07 0.47 0.82 116.25 116.83 2d99 h VAL 18 Ca -0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2d99 h VAL 18 Cb 0.84 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 2d99 h VAL 18 CO 0.18 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 177.27 2d99 h LEU 19 N -0.45 -1.38 -0.39 2.57 3.38 -0.42 0.73 115.31 119.34 2d99 h LEU 19 Ca 0.08 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.31 2d99 h LEU 19 Cb 0.63 0.57 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 2d99 h LEU 19 CO -0.52 -0.42 -0.21 0.22 0.09 0.00 0.00 178.44 177.59 2d99 h TYR 20 N -0.47 -0.54 -0.76 1.13 3.20 0.50 0.61 116.97 120.64 2d99 h TYR 20 Ca 0.08 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2d99 h TYR 20 Cb 0.62 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 2d99 h TYR 20 CO -0.52 -0.29 0.47 0.77 -1.64 0.00 0.00 178.16 176.95 2d99 h SER 21 N -0.14 0.76 -0.25 -2.11 0.02 0.17 0.31 113.55 112.31 2d99 h SER 21 Ca 0.19 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2d99 h SER 21 Cb 0.44 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2d99 h SER 21 CO -0.48 0.51 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.36 2d99 h GLU 22 N 0.90 0.03 -0.23 3.45 4.39 0.24 1.18 114.58 124.55 2d99 h GLU 22 Ca 0.32 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.98 2d99 h GLU 22 Cb 0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2d99 h GLU 22 CO -0.13 0.02 -0.03 0.00 -1.16 0.00 0.00 179.01 177.71 2d99 h ALA 23 N 1.23 1.54 0.00 3.43 0.00 -0.33 -0.78 119.26 124.35 2d99 h ALA 23 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2d99 h ALA 23 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2d99 h ALA 23 CO -0.23 0.34 -0.56 -0.07 0.00 0.00 0.00 179.25 178.72 2d99 h LEU 24 N 0.33 0.00 -0.27 0.00 3.38 0.87 -3.48 115.31 116.14 2d99 h LEU 24 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 2d99 h LEU 24 Cb 0.27 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.07 2d99 h LEU 24 CO 0.01 0.56 -0.35 0.61 0.09 0.00 0.00 178.44 179.36 2d99 n GLY 25 N 0.70 0.07 3.92 0.83 0.00 0.39 -5.02 105.19 106.08 2d99 n GLY 25 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.44 3.12 -0.12 1.61 1.81 -1.04 -4.97 118.95 113.92 2d99 s ARG 26 Ca 0.24 0.02 0.12 0.00 -1.72 0.00 0.00 55.73 54.39 2d99 s ARG 26 Cb -0.11 -2.32 0.55 0.00 -0.45 0.00 0.00 34.95 32.62 2d99 s ARG 26 CO 0.30 -0.52 1.39 0.00 -0.68 0.00 0.00 175.30 175.79 2d99 n ALA 27 N -2.45 3.17 -3.32 2.13 0.00 -1.26 -4.89 120.51 113.89 2d99 n ALA 27 Ca 0.03 -1.23 -0.09 0.00 0.00 0.00 0.00 53.44 52.15 2d99 n ALA 27 Cb 0.57 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 2d99 n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d99 s SER 28 N -0.68 0.02 -0.43 0.00 0.15 -1.26 -5.13 113.70 106.36 2d99 s SER 28 Ca 0.38 -0.97 -0.13 0.00 0.70 0.00 0.00 55.95 55.92 2d99 s SER 28 Cb 0.26 0.65 0.06 0.00 -1.71 0.00 0.00 66.02 65.28 2d99 s SER 28 CO 0.15 -1.25 0.32 -0.69 1.20 0.00 0.00 173.24 172.97 2d99 s VAL 29 N -3.70 4.92 0.34 4.45 1.01 -1.26 -4.85 120.40 121.30 2d99 s VAL 29 Ca 0.21 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2d99 s VAL 29 Cb -0.02 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2d99 s VAL 29 CO 0.10 -0.46 0.56 0.68 0.00 0.00 0.00 175.10 175.99 2d99 s VAL 30 N 1.59 5.08 0.81 2.92 -7.23 -1.26 -5.05 120.40 117.27 2d99 s VAL 30 Ca 0.04 -0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 59.76 2d99 s VAL 30 Cb -0.22 -3.84 0.08 0.00 0.56 0.00 0.00 36.38 32.96 2d99 s VAL 30 CO 0.06 -0.53 1.10 -2.16 -0.31 0.00 0.00 175.10 173.27 2d99 s PRO 31 N -4.18 1.97 -0.47 4.82 0.04 -1.26 -4.69 135.00 131.22 2d99 s PRO 31 Ca 0.41 0.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 2d99 s PRO 31 Cb -0.10 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.66 2d99 s PRO 31 CO 0.35 -1.69 0.28 -1.17 0.04 0.00 0.00 177.00 174.81 2d99 s LEU 32 N -5.81 5.35 -1.16 -3.56 2.96 -1.26 -5.01 118.68 110.20 2d99 s LEU 32 Ca 0.61 -2.17 -0.19 0.00 -0.22 0.00 0.00 54.13 52.16 2d99 s LEU 32 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2d99 s LEU 32 CO 0.54 -0.54 1.96 -0.81 -1.32 0.00 0.00 176.35 176.18 2d99 n PRO 33 N 4.44 2.26 -0.14 0.98 -0.04 -1.26 -4.77 135.00 136.47 2d99 n PRO 33 Ca -0.01 -2.51 -0.07 0.00 -0.04 0.00 0.00 63.50 60.86 2d99 n PRO 33 Cb 0.41 -3.33 -0.02 0.00 -0.04 0.00 0.00 33.50 30.52 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 7.75 -0.98 -1.80 0.54 0.05 -1.96 0.46 116.97 121.02 2d99 h TYR 34 Ca 0.42 0.06 0.53 0.00 0.05 0.00 0.00 58.73 59.80 2d99 h TYR 34 Cb 0.77 0.49 -0.08 0.00 1.01 0.00 0.00 36.73 38.92 2d99 h TYR 34 CO 1.33 -0.39 1.29 -0.85 -1.05 0.00 0.00 178.16 178.49 2d99 n GLU 35 N -5.42 -0.00 -0.01 4.88 0.28 -1.26 0.19 120.64 119.29 2d99 n GLU 35 Ca 0.01 1.04 -0.01 0.00 -0.16 0.00 0.00 57.16 58.04 2d99 n GLU 35 Cb 0.34 -2.35 -0.00 0.00 1.43 0.00 0.00 31.44 30.86 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 -3.90 0.06 -0.55 3.44 5.12 0.14 -3.60 116.66 117.38 2d99 n ARG 36 Ca 0.42 0.20 0.44 0.00 -1.93 0.00 0.00 57.85 56.98 2d99 n ARG 36 Cb 1.86 -0.79 0.74 0.00 -1.16 0.00 0.00 32.46 33.10 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 -0.13 0.11 0.10 0.55 3.38 0.04 1.44 115.31 120.80 2d99 h LEU 37 Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2d99 h LEU 37 Cb 0.09 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2d99 h LEU 37 CO 0.00 -0.09 -0.05 -0.07 0.09 0.00 0.00 178.44 178.32 2d99 h LEU 38 N 0.03 -0.11 -0.84 1.67 3.38 0.19 -3.09 115.31 116.54 2d99 h LEU 38 Ca 0.85 -0.23 0.16 0.00 0.09 0.00 0.00 57.88 58.74 2d99 h LEU 38 Cb 3.07 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 43.69 2d99 h LEU 38 CO -0.21 0.18 -0.27 -0.09 0.09 0.00 0.00 178.44 178.14 2d99 h ARG 39 N -0.41 -0.03 -4.67 1.13 9.65 0.19 -3.28 114.38 116.97 2d99 h ARG 39 Ca -0.01 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 58.19 2d99 h ARG 39 Cb 0.34 0.01 -0.35 0.00 -1.39 0.00 0.00 29.97 28.58 2d99 h ARG 39 CO 0.02 -0.02 -0.66 -1.83 2.80 0.00 0.00 179.97 180.28 2d99 s GLU 40 N -6.14 2.12 0.44 0.20 -1.05 -1.05 -4.94 118.70 108.27 2d99 s GLU 40 Ca -0.14 -1.56 0.25 0.00 -0.15 0.00 0.00 54.97 53.36 2d99 s GLU 40 Cb 0.22 -3.30 0.72 0.00 -0.44 0.00 0.00 34.13 31.32 2d99 s GLU 40 CO 0.74 -0.82 1.74 -1.00 0.95 0.00 0.00 175.26 176.86 2d99 h PRO 41 N 7.94 0.00 0.00 -4.83 0.13 -1.62 -2.98 132.00 130.63 2d99 h PRO 41 Ca -0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.87 2d99 h PRO 41 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2d99 h PRO 41 CO 0.58 0.15 -0.53 0.78 -0.23 0.00 0.00 178.00 178.76 2d99 h GLY 42 N 2.86 0.00 0.99 1.56 0.00 -1.92 -2.92 103.07 103.64 2d99 h GLY 42 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2d99 h GLY 42 CO 0.02 0.00 0.10 -2.00 0.00 0.00 0.00 176.54 174.66 2d99 h LEU 43 N 0.00 0.82 -6.19 3.11 5.85 -1.85 -3.33 115.31 113.72 2d99 h LEU 43 Ca -0.01 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2d99 h LEU 43 Cb 1.11 -0.22 -0.24 0.00 0.37 0.00 0.00 40.66 41.68 2d99 h LEU 43 CO 0.07 0.86 -0.33 -0.22 -0.34 0.00 0.00 178.44 178.48 2d99 s LEU 44 N -9.54 -1.14 -0.20 2.25 2.96 -1.17 -1.45 118.68 110.39 2d99 s LEU 44 Ca -0.13 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 54.42 2d99 s LEU 44 Cb 0.12 1.85 -0.04 0.00 0.50 0.00 0.00 46.19 48.61 2d99 s LEU 44 CO 0.81 -0.27 0.09 0.00 -1.32 0.00 0.00 176.35 175.66 2d99 s ALA 45 N 2.76 3.44 -0.28 5.97 0.00 0.14 -4.71 121.76 129.09 2d99 s ALA 45 Ca 0.17 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 2d99 s ALA 45 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 2d99 s ALA 45 CO -0.19 0.03 0.73 0.08 0.00 0.00 0.00 175.76 176.41 2d99 s VAL 46 N 0.63 4.87 0.32 0.00 1.01 -1.26 -1.19 120.40 124.79 2d99 s VAL 46 Ca 0.05 1.17 0.09 0.00 0.00 0.00 0.00 61.98 63.29 2d99 s VAL 46 Cb -0.13 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2d99 s VAL 46 CO 0.01 -0.14 0.04 -1.10 0.00 0.00 0.00 175.10 173.91 2d99 s GLN 47 N 2.77 2.19 -1.09 2.72 -1.52 0.97 -4.65 119.66 121.05 2d99 s GLN 47 Ca 0.30 -1.63 -0.00 0.00 -1.95 0.00 0.00 55.36 52.08 2d99 s GLN 47 Cb -0.15 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.61 2d99 s GLN 47 CO 0.11 0.18 0.05 0.41 -0.25 0.00 0.00 175.29 175.79 2d99 n GLY 48 N -0.99 -0.15 3.81 3.09 0.00 -1.26 0.56 105.19 110.24 2d99 n GLY 48 Ca -0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 2.55 -0.11 0.99 1.43 -1.26 -1.25 118.68 117.21 2d99 s LEU 49 Ca 0.03 1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 2d99 s LEU 49 Cb -0.01 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 2d99 s LEU 49 CO 0.03 -2.01 1.25 -2.16 0.23 0.00 0.00 176.35 173.70 2d99 s PRO 50 N -5.18 4.28 0.29 1.29 0.04 -1.26 -4.93 135.00 129.53 2d99 s PRO 50 Ca 0.61 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 2d99 s PRO 50 Cb -0.14 -3.68 -0.14 0.00 0.04 0.00 0.00 34.50 30.57 2d99 s PRO 50 CO 0.54 -0.61 0.80 0.39 0.04 0.00 0.00 177.00 178.16 2d99 n GLU 51 N 6.03 0.86 -2.43 4.56 1.02 -1.26 -3.15 120.64 126.27 2d99 n GLU 51 Ca 0.13 0.30 -0.07 0.00 -0.02 0.00 0.00 57.16 57.50 2d99 n GLU 51 Cb 0.45 -1.56 0.04 0.00 -0.02 0.00 0.00 31.44 30.34 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 -5.04 105.19 100.98 2d99 n GLY 52 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.38 0.00 -3.65 0.99 4.77 -1.19 -5.06 117.00 110.48 2d99 n LEU 53 Ca -0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 2d99 n LEU 53 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 2d99 n LEU 53 CO 0.29 0.00 0.32 0.00 -1.33 0.00 0.00 177.39 176.66 2d99 s ALA 54 N -1.00 -1.62 -0.24 -1.18 0.00 -1.26 -5.05 121.76 111.40 2d99 s ALA 54 Ca 0.00 1.96 -0.28 0.00 0.00 0.00 0.00 51.96 53.64 2d99 s ALA 54 Cb 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 23.12 21.92 2d99 s ALA 54 CO 0.00 -0.32 2.24 0.34 0.00 0.00 0.00 175.76 178.02 2d99 n PHE 55 N 3.30 1.90 -3.82 0.00 7.35 -1.26 -4.87 117.46 120.06 2d99 n PHE 55 Ca -0.16 -0.09 -0.05 0.00 -0.76 0.00 0.00 57.45 56.39 2d99 n PHE 55 Cb 0.56 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.69 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 6.48 1.59 0.39 -4.13 1.70 -1.26 -5.03 118.95 118.68 2d99 s ARG 56 Ca 1.02 -0.96 -0.23 0.00 -0.47 0.00 0.00 55.73 55.08 2d99 s ARG 56 Cb -0.36 0.49 -0.13 0.00 -0.57 0.00 0.00 34.95 34.37 2d99 s ARG 56 CO 0.36 -0.74 0.52 0.54 -1.08 0.00 0.00 175.30 174.90 2d99 n ARG 57 N -0.54 0.51 0.06 3.89 5.12 -1.26 -4.83 116.66 119.61 2d99 n ARG 57 Ca -0.05 0.19 0.12 0.00 -1.93 0.00 0.00 57.85 56.17 2d99 n ARG 57 Cb 0.60 -1.43 0.46 0.00 -1.16 0.00 0.00 32.46 30.93 2d99 n ARG 57 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2d99 n PRO 58 N 0.73 0.12 0.02 5.56 -0.04 -1.26 -2.10 135.00 138.03 2d99 n PRO 58 Ca 0.12 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2d99 n PRO 58 Cb 0.38 -1.67 0.21 0.00 -0.04 0.00 0.00 33.50 32.37 2d99 n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d99 n ALA 59 N -1.64 3.31 0.65 0.55 0.00 -1.26 -3.56 120.51 118.55 2d99 n ALA 59 Ca 0.05 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.28 2d99 n ALA 59 Cb 0.29 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 0.23 -1.64 0.00 1.02 -0.89 -4.95 120.64 112.67 2d99 n GLU 60 Ca 0.04 -0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 2d99 n GLU 60 Cb 0.38 -1.55 0.09 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.17 2.90 0.78 -0.32 2.02 -1.16 -5.03 117.35 113.37 2d99 s TYR 61 Ca 0.04 1.06 -0.08 0.00 -0.37 0.00 0.00 57.07 57.72 2d99 s TYR 61 Cb 0.15 -3.17 0.17 0.00 -0.40 0.00 0.00 41.96 38.71 2d99 s TYR 61 CO 0.83 -1.73 1.06 -0.25 -1.57 0.00 0.00 175.55 173.89 2d99 n ASP 62 N -3.38 0.59 -0.01 2.29 8.00 -1.26 -4.92 116.55 117.86 2d99 n ASP 62 Ca 0.07 -1.69 -0.16 0.00 0.71 0.00 0.00 54.79 53.71 2d99 n ASP 62 Cb 0.57 -0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 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 0.38 0.00 -0.24 0.13 -1.98 -2.62 132.00 127.67 2d99 h PRO 63 Ca -0.35 -0.37 -0.04 0.00 -0.87 0.00 0.00 66.00 64.37 2d99 h PRO 63 Cb 1.08 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2d99 h PRO 63 CO 0.29 1.04 -0.19 0.87 -0.23 0.00 0.00 178.00 179.78 2d99 h LYS 64 N -0.13 0.00 0.56 0.86 6.56 -1.99 -2.96 116.57 119.47 2d99 h LYS 64 Ca -0.05 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 2d99 h LYS 64 Cb 1.18 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.85 2d99 h LYS 64 CO 0.10 0.19 -0.27 0.00 -2.06 0.00 0.00 179.45 177.40 2d99 h ALA 65 N 1.81 -0.76 -0.94 3.86 0.00 -1.93 0.14 119.26 121.45 2d99 h ALA 65 Ca -0.00 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 54.98 2d99 h ALA 65 Cb 0.70 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 2d99 h ALA 65 CO 0.02 -0.72 0.45 -0.07 0.00 0.00 0.00 179.25 178.93 2d99 h LEU 66 N -1.16 0.39 -0.98 0.00 3.38 -1.44 1.37 115.31 116.87 2d99 h LEU 66 Ca -0.08 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2d99 h LEU 66 Cb 0.61 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2d99 h LEU 66 CO 0.13 -0.04 -0.44 0.24 0.09 0.00 0.00 178.44 178.42 2d99 h MET 67 N 0.38 0.15 0.00 1.13 2.86 -1.44 -1.49 114.93 116.52 2d99 h MET 67 Ca 0.62 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 58.12 2d99 h MET 67 Cb 1.25 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 2d99 h MET 67 CO -0.56 0.56 -0.31 0.00 1.06 0.00 0.00 176.91 177.66 2d99 h ALA 68 N 1.43 0.83 0.00 6.32 0.00 0.36 -2.45 119.26 125.76 2d99 h ALA 68 Ca 0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2d99 h ALA 68 Cb 0.83 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2d99 h ALA 68 CO 0.06 0.38 -0.63 0.82 0.00 0.00 0.00 179.25 179.89 2d99 h ILE 69 N 0.00 1.43 -0.14 0.00 2.04 0.93 0.18 117.51 121.94 2d99 h ILE 69 Ca -0.00 -2.10 -0.06 0.00 1.00 0.00 0.00 64.86 63.69 2d99 h ILE 69 Cb 1.14 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 2d99 h ILE 69 CO 0.04 0.61 -0.19 -0.07 0.00 0.00 0.00 178.15 178.54 2d99 h LEU 70 N -0.10 0.23 0.18 1.44 3.38 -1.29 1.69 115.31 120.84 2d99 h LEU 70 Ca -0.08 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 2d99 h LEU 70 Cb 1.34 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 42.06 2d99 h LEU 70 CO 0.12 0.44 -1.34 -0.33 0.09 0.00 0.00 178.44 177.43 2d99 h GLU 71 N 0.22 0.59 0.00 1.13 5.08 -1.42 -3.20 114.58 116.99 2d99 h GLU 71 Ca 0.04 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 2d99 h GLU 71 Cb 0.47 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2d99 h GLU 71 CO 0.03 1.41 -0.19 0.72 -1.00 0.00 0.00 179.01 179.98 2d99 n HIS 72 N -3.77 0.05 0.18 4.33 8.25 0.64 -3.58 115.22 121.32 2d99 n HIS 72 Ca -0.15 0.01 0.09 0.00 -0.26 0.00 0.00 57.72 57.41 2d99 n HIS 72 Cb 1.03 -0.44 0.46 0.00 1.12 0.00 0.00 29.99 32.17 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 0.77 0.41 4.64 0.25 0.79 113.55 120.41 2d99 h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2d99 h SER 73 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2d99 h SER 73 CO 0.00 0.00 0.00 1.12 -0.87 0.00 0.00 176.83 177.08 2d99 h HIS 74 N 0.00 0.00 0.00 4.77 2.07 -1.77 -3.17 115.15 117.05 2d99 h HIS 74 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2d99 h HIS 74 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.42 2d99 h HIS 74 CO 0.00 0.00 -1.11 2.89 -3.07 0.00 0.00 177.93 176.64 2d99 n ARG 75 N -2.75 3.21 -1.52 5.12 1.85 0.26 -5.02 116.66 117.80 2d99 n ARG 75 Ca 0.01 0.00 -0.64 0.00 -1.00 0.00 0.00 57.85 56.22 2d99 n ARG 75 Cb 0.24 -1.04 -0.11 0.00 -1.05 0.00 0.00 32.46 30.50 2d99 n ARG 75 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2d99 n ILE 76 N -2.13 0.01 -3.86 8.89 5.41 -0.25 -4.42 119.36 123.01 2d99 n ILE 76 Ca -0.03 -0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.59 2d99 n ILE 76 Cb 0.55 -0.53 -0.14 0.00 -0.71 0.00 0.00 39.64 38.81 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 4.38 -0.00 0.29 0.38 0.52 0.19 -4.95 118.95 119.76 2d99 s ARG 77 Ca 1.12 0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 56.29 2d99 s ARG 77 Cb -1.48 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.90 2d99 s ARG 77 CO 0.74 -0.02 0.56 -0.06 0.02 0.00 0.00 175.30 176.54 2d99 s PHE 78 N 0.14 3.47 -0.11 -0.53 0.40 -1.26 -0.02 117.98 120.06 2d99 s PHE 78 Ca -0.01 0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 56.98 2d99 s PHE 78 Cb -0.02 -2.14 0.04 0.00 0.51 0.00 0.00 43.02 41.42 2d99 s PHE 78 CO -0.00 0.17 0.02 0.15 0.70 0.00 0.00 175.22 176.25 2d99 s LYS 79 N -3.50 0.60 0.12 0.44 -0.14 -0.33 -4.88 119.74 112.04 2d99 s LYS 79 Ca 0.45 -0.06 -0.09 0.00 -1.36 0.00 0.00 55.97 54.90 2d99 s LYS 79 Cb -0.11 -1.37 -0.06 0.00 -1.68 0.00 0.00 37.83 34.61 2d99 s LYS 79 CO 0.29 -0.43 0.43 -0.51 -0.76 0.00 0.00 175.35 174.38 2d99 s LEU 80 N 1.95 4.30 0.15 3.17 1.43 -1.26 -0.68 118.68 127.73 2d99 s LEU 80 Ca 0.03 0.79 -0.33 0.00 -1.03 0.00 0.00 54.13 53.59 2d99 s LEU 80 Cb -0.14 -3.18 -0.17 0.00 0.03 0.00 0.00 46.19 42.74 2d99 s LEU 80 CO -0.06 0.11 1.03 2.29 0.23 0.00 0.00 176.35 179.95 2d99 n LYS 81 N 0.57 0.75 -3.52 1.70 2.85 -0.53 -4.95 118.16 115.03 2d99 n LYS 81 Ca -0.05 0.27 -0.10 0.00 -1.05 0.00 0.00 58.31 57.37 2d99 n LYS 81 Cb 0.52 -1.68 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 2d99 n LYS 81 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2d99 s ARG 82 N -0.44 0.80 0.01 -1.58 1.70 -1.26 -5.09 118.95 113.09 2d99 s ARG 82 Ca 0.75 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 55.60 2d99 s ARG 82 Cb -0.94 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 33.76 2d99 s ARG 82 CO 0.54 -0.31 1.19 -1.25 -1.08 0.00 0.00 175.30 174.39 2d99 s PRO 83 N -2.30 4.41 0.02 3.89 0.04 -1.26 -4.95 135.00 134.85 2d99 s PRO 83 Ca 0.01 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 2d99 s PRO 83 Cb -0.01 -3.44 -0.17 0.00 0.04 0.00 0.00 34.50 30.93 2d99 s PRO 83 CO -0.04 -0.32 1.31 1.03 0.04 0.00 0.00 177.00 179.02 2d99 h SER 84 N 7.07 -0.46 -5.52 6.66 0.87 -2.02 -3.49 113.55 116.67 2d99 h SER 84 Ca -0.39 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 2d99 h SER 84 Cb 1.19 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2d99 h SER 84 CO 0.83 -0.14 -0.96 -1.20 -0.53 0.00 0.00 176.83 174.83 2d99 n SER 85 N -5.22 -7.58 -0.62 6.23 7.64 -1.26 -4.83 113.62 107.98 2d99 n SER 85 Ca -0.10 1.04 0.08 0.00 1.01 0.00 0.00 58.87 60.89 2d99 n SER 85 Cb 0.28 -4.26 -0.03 0.00 -1.01 0.00 0.00 64.21 59.19 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 0.73 -2.09 3.75 0.23 0.00 -1.26 -4.84 105.19 101.71 2d99 n GLY 86 Ca 0.01 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.31 4.62 0.00 1.61 0.04 -1.26 -4.84 135.00 132.86 2d99 s PRO 87 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2d99 s PRO 87 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2d99 s PRO 87 CO 0.00 0.15 0.00 -1.13 0.04 0.00 0.00 177.00 176.06 2d99 n SER 88 N 1.78 0.00 -0.98 6.66 3.41 -1.26 -5.16 113.62 118.07 2d99 n SER 88 Ca 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.68 2d99 n SER 88 Cb 0.45 0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.64 2d99 n SER 88 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d99 n SER 89 N -2.35 -5.88 0.00 4.04 7.64 -1.26 -5.27 113.62 110.54 2d99 n SER 89 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2d99 n SER 89 Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64