#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 -7.36 -2.54 1.61 2.88 -1.26 -4.58 113.62 102.37 2d99 n SER 2 Ca 0.00 0.71 -0.03 0.00 -1.33 0.00 0.00 58.87 58.21 2d99 n SER 2 Cb 0.00 -4.13 -0.03 0.00 -0.75 0.00 0.00 64.21 59.30 2d99 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d99 n SER 3 N 0.32 -3.79 0.00 -3.46 7.64 -1.26 -5.00 113.62 108.08 2d99 n SER 3 Ca 0.03 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.37 2d99 n SER 3 Cb 0.35 -4.73 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 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 1.86 -0.09 1.56 0.23 0.00 -1.26 -5.16 105.19 102.34 2d99 n GLY 4 Ca -0.24 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2d99 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d99 n SER 5 N 0.00 -8.42 -4.20 1.61 7.64 -1.26 -4.83 113.62 104.16 2d99 n SER 5 Ca 0.00 1.20 -0.12 0.00 1.01 0.00 0.00 58.87 60.96 2d99 n SER 5 Cb 0.00 -4.57 -0.10 0.00 -1.01 0.00 0.00 64.21 58.53 2d99 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d99 s SER 6 N -3.08 0.27 0.00 6.43 0.01 -1.26 -4.99 113.70 111.08 2d99 s SER 6 Ca 0.00 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2d99 s SER 6 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2d99 s SER 6 CO 0.00 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2d99 n GLY 7 N -0.25 3.15 0.21 3.44 0.00 -1.26 -4.55 105.19 105.92 2d99 n GLY 7 Ca 0.01 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.38 -1.37 0.99 3.38 -1.98 -0.29 115.31 115.65 2d99 h LEU 8 Ca 0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2d99 h LEU 8 Cb 0.00 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2d99 h LEU 8 CO 0.00 0.07 0.02 -0.09 0.09 0.00 0.00 178.44 178.54 2d99 h ARG 9 N -1.01 0.44 -0.13 1.13 2.43 -1.92 -1.22 114.38 114.11 2d99 h ARG 9 Ca -0.05 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 2d99 h ARG 9 Cb 0.49 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2d99 h ARG 9 CO 0.08 0.45 -0.39 -0.22 -1.51 0.00 0.00 179.97 178.38 2d99 h LYS 10 N 0.43 0.28 0.45 0.20 1.63 -1.80 0.18 116.57 117.95 2d99 h LYS 10 Ca 0.10 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2d99 h LYS 10 Cb 0.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2d99 h LYS 10 CO 0.00 0.63 -0.22 0.52 -3.45 0.00 0.00 179.45 176.94 2d99 h MET 11 N 0.24 -0.59 0.00 1.90 2.86 0.12 -3.01 114.93 116.45 2d99 h MET 11 Ca 0.02 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2d99 h MET 11 Cb 0.79 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 2d99 h MET 11 CO 0.06 -0.28 -0.11 -0.24 1.06 0.00 0.00 176.91 177.40 2d99 h VAL 12 N -0.95 1.01 -1.00 -2.22 3.04 -1.36 -1.67 116.25 113.09 2d99 h VAL 12 Ca -0.06 -0.38 0.15 0.00 -1.01 0.00 0.00 66.70 65.40 2d99 h VAL 12 Cb 0.58 1.21 -0.10 0.00 -2.01 0.00 0.00 31.29 30.97 2d99 h VAL 12 CO 0.10 0.11 0.62 -0.33 -1.01 0.00 0.00 177.57 177.05 2d99 h GLU 13 N 0.00 0.86 0.19 4.17 4.39 -0.82 -1.56 114.58 121.81 2d99 h GLU 13 Ca -0.00 -0.05 -0.29 0.00 0.34 0.00 0.00 59.36 59.36 2d99 h GLU 13 Cb 0.20 -0.19 0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2d99 h GLU 13 CO 0.01 0.57 -1.31 1.05 -1.16 0.00 0.00 179.01 178.17 2d99 h GLU 14 N 0.88 0.41 0.00 2.33 4.11 -1.24 -3.27 114.58 117.80 2d99 h GLU 14 Ca 0.53 -0.70 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2d99 h GLU 14 Cb 0.68 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2d99 h GLU 14 CO -0.32 1.34 0.00 0.28 0.07 0.00 0.00 179.01 180.37 2d99 n VAL 15 N -3.86 0.00 -0.33 -1.06 0.31 -0.67 0.20 118.33 112.92 2d99 n VAL 15 Ca -0.18 1.34 0.27 0.00 -0.01 0.00 0.00 64.34 65.75 2d99 n VAL 15 Cb 0.99 -1.96 0.52 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.81 0.43 3.52 0.04 -1.51 0.29 116.94 120.52 2d99 h PHE 16 Ca 0.00 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2d99 h PHE 16 Cb 0.00 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.97 2d99 h PHE 16 CO -0.44 -0.34 -0.21 -0.44 -0.60 0.00 0.00 178.31 176.28 2d99 h ASP 17 N 0.14 -0.49 -0.80 2.17 5.19 -0.91 0.53 116.42 122.25 2d99 h ASP 17 Ca 0.78 0.02 0.13 0.00 -0.62 0.00 0.00 57.03 57.33 2d99 h ASP 17 Cb 1.92 0.13 -0.14 0.00 0.18 0.00 0.00 39.33 41.42 2d99 h ASP 17 CO -0.71 -0.28 -0.39 0.58 -3.12 0.00 0.00 179.24 175.33 2d99 h VAL 18 N -0.74 0.07 0.16 -1.35 2.07 0.43 0.64 116.25 117.54 2d99 h VAL 18 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2d99 h VAL 18 Cb 0.45 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2d99 h VAL 18 CO 0.10 0.00 -0.50 -0.07 0.02 0.00 0.00 177.57 177.12 2d99 h LEU 19 N -0.09 -1.49 -0.57 2.57 3.38 -0.55 0.55 115.31 119.13 2d99 h LEU 19 Ca 0.28 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.51 2d99 h LEU 19 Cb 0.57 0.54 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 2d99 h LEU 19 CO -0.84 -0.56 -0.17 0.22 0.09 0.00 0.00 178.44 177.19 2d99 h TYR 20 N -0.76 -0.38 -0.97 1.13 3.20 0.15 0.27 116.97 119.61 2d99 h TYR 20 Ca -0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2d99 h TYR 20 Cb 0.76 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 2d99 h TYR 20 CO -0.41 -0.27 0.64 1.03 -1.64 0.00 0.00 178.16 177.51 2d99 h SER 21 N -0.03 1.09 -0.03 -2.11 0.87 0.89 0.29 113.55 114.53 2d99 h SER 21 Ca 0.27 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2d99 h SER 21 Cb 0.44 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2d99 h SER 21 CO -0.60 0.77 0.00 -0.33 -0.53 0.00 0.00 176.83 176.14 2d99 h GLU 22 N 1.28 0.02 0.00 2.24 4.39 0.33 0.48 114.58 123.31 2d99 h GLU 22 Ca 0.37 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.01 2d99 h GLU 22 Cb -0.08 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2d99 h GLU 22 CO -0.10 0.01 -0.27 0.00 -1.16 0.00 0.00 179.01 177.49 2d99 h ALA 23 N 1.02 1.39 0.00 3.43 0.00 -0.25 -1.02 119.26 123.83 2d99 h ALA 23 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2d99 h ALA 23 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2d99 h ALA 23 CO -0.02 0.34 -0.17 -0.07 0.00 0.00 0.00 179.25 179.33 2d99 h LEU 24 N 0.00 0.00 -0.13 0.00 3.38 0.57 -3.48 115.31 115.65 2d99 h LEU 24 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2d99 h LEU 24 Cb 0.53 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.35 2d99 h LEU 24 CO 0.04 0.17 -0.44 0.61 0.09 0.00 0.00 178.44 178.90 2d99 n GLY 25 N 0.81 -0.11 3.98 0.83 0.00 0.16 -5.02 105.19 105.84 2d99 n GLY 25 Ca 0.02 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.60 1.89 -0.22 1.61 1.81 -0.89 -5.01 118.95 112.54 2d99 s ARG 26 Ca 0.30 -0.95 -0.13 0.00 -1.72 0.00 0.00 55.73 53.23 2d99 s ARG 26 Cb -0.13 -2.34 -0.18 0.00 -0.45 0.00 0.00 34.95 31.85 2d99 s ARG 26 CO 0.37 -1.28 -0.01 0.00 -0.68 0.00 0.00 175.30 173.70 2d99 n ALA 27 N -2.75 1.03 -2.67 2.13 0.00 -1.26 -4.88 120.51 112.11 2d99 n ALA 27 Ca 0.13 -0.80 -0.24 0.00 0.00 0.00 0.00 53.44 52.53 2d99 n ALA 27 Cb 0.60 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -7.05 6.29 -0.37 0.00 0.01 -1.26 -5.05 113.70 106.28 2d99 s SER 28 Ca -0.32 0.44 -0.26 0.00 1.31 0.00 0.00 55.95 57.12 2d99 s SER 28 Cb 0.09 -2.02 0.02 0.00 0.21 0.00 0.00 66.02 64.32 2d99 s SER 28 CO 0.59 -0.29 0.93 -0.69 0.41 0.00 0.00 173.24 174.19 2d99 s VAL 29 N -2.31 4.58 0.19 3.43 1.01 -1.26 -4.93 120.40 121.11 2d99 s VAL 29 Ca 0.40 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.59 2d99 s VAL 29 Cb -0.10 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2d99 s VAL 29 CO 0.36 -0.55 0.35 0.68 0.00 0.00 0.00 175.10 175.94 2d99 s VAL 30 N 3.49 5.26 0.99 2.92 -7.23 -1.26 -5.04 120.40 119.52 2d99 s VAL 30 Ca 0.38 -0.62 -0.15 0.00 -1.81 0.00 0.00 61.98 59.79 2d99 s VAL 30 Cb -0.12 -3.77 0.19 0.00 0.56 0.00 0.00 36.38 33.24 2d99 s VAL 30 CO 0.19 -0.19 1.17 -2.16 -0.31 0.00 0.00 175.10 173.80 2d99 s PRO 31 N -3.46 0.50 -0.34 4.82 0.04 -1.26 -4.61 135.00 130.68 2d99 s PRO 31 Ca 0.36 0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.47 2d99 s PRO 31 Cb -0.11 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2d99 s PRO 31 CO 0.29 -2.58 0.06 -1.17 0.04 0.00 0.00 177.00 173.63 2d99 s LEU 32 N -6.20 4.67 -1.12 -3.56 2.96 -1.26 -4.96 118.68 109.21 2d99 s LEU 32 Ca 0.68 -2.02 -0.22 0.00 -0.22 0.00 0.00 54.13 52.35 2d99 s LEU 32 Cb -0.11 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 2d99 s LEU 32 CO 0.54 -0.38 1.77 -2.16 -1.32 0.00 0.00 176.35 174.79 2d99 s PRO 33 N 0.98 3.18 0.10 0.98 0.04 -1.26 -4.80 135.00 134.22 2d99 s PRO 33 Ca 0.08 -1.20 -0.25 0.00 0.04 0.00 0.00 61.00 59.66 2d99 s PRO 33 Cb -0.20 -5.31 -0.12 0.00 0.04 0.00 0.00 34.50 28.90 2d99 s PRO 33 CO -0.07 -2.96 1.69 1.88 0.04 0.00 0.00 177.00 177.58 2d99 h TYR 34 N 9.48 -0.33 -1.85 0.56 0.05 -1.96 0.17 116.97 123.08 2d99 h TYR 34 Ca 0.25 0.00 0.54 0.00 0.05 0.00 0.00 58.73 59.58 2d99 h TYR 34 Cb 0.95 0.13 -0.08 0.00 1.01 0.00 0.00 36.73 38.74 2d99 h TYR 34 CO 1.29 -0.20 1.33 1.05 -1.05 0.00 0.00 178.16 180.58 2d99 h GLU 35 N -0.28 0.00 0.00 4.88 4.11 -1.98 1.69 114.58 123.00 2d99 h GLU 35 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2d99 h GLU 35 Cb 0.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2d99 h GLU 35 CO -0.03 0.00 -0.16 0.54 0.07 0.00 0.00 179.01 179.43 2d99 n ARG 36 N -4.02 0.12 -0.35 1.06 5.12 -0.61 -3.71 116.66 114.27 2d99 n ARG 36 Ca 0.42 0.25 0.27 0.00 -1.93 0.00 0.00 57.85 56.87 2d99 n ARG 36 Cb 1.91 -0.92 0.52 0.00 -1.16 0.00 0.00 32.46 32.81 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 -0.26 0.44 -0.53 0.55 3.38 0.08 1.53 115.31 120.50 2d99 h LEU 37 Ca 0.00 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2d99 h LEU 37 Cb 0.16 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2d99 h LEU 37 CO 0.00 -0.19 0.31 -0.07 0.09 0.00 0.00 178.44 178.59 2d99 h LEU 38 N 0.23 0.51 -0.66 1.67 3.38 0.23 -1.96 115.31 118.71 2d99 h LEU 38 Ca 0.76 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.80 2d99 h LEU 38 Cb 1.91 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.50 2d99 h LEU 38 CO -0.59 0.36 0.36 -0.09 0.09 0.00 0.00 178.44 178.56 2d99 h ARG 39 N 0.63 0.64 -4.71 1.13 2.43 0.21 -3.35 114.38 111.35 2d99 h ARG 39 Ca 0.21 -0.04 -0.67 0.00 -0.81 0.00 0.00 59.98 58.68 2d99 h ARG 39 Cb 0.02 -0.14 -0.38 0.00 -0.42 0.00 0.00 29.97 29.05 2d99 h ARG 39 CO -0.10 0.42 -0.71 -1.83 -1.51 0.00 0.00 179.97 176.24 2d99 s GLU 40 N -6.09 1.79 0.20 0.20 -1.05 -0.74 -4.95 118.70 108.05 2d99 s GLU 40 Ca -0.13 -1.71 0.06 0.00 -0.15 0.00 0.00 54.97 53.04 2d99 s GLU 40 Cb 0.16 -3.19 0.10 0.00 -0.44 0.00 0.00 34.13 30.76 2d99 s GLU 40 CO 0.76 -0.85 1.45 -1.00 0.95 0.00 0.00 175.26 176.57 2d99 h PRO 41 N 7.73 0.12 0.00 -4.83 0.13 -1.69 -3.04 132.00 130.42 2d99 h PRO 41 Ca -0.10 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 2d99 h PRO 41 Cb 1.03 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2d99 h PRO 41 CO 0.53 0.84 -0.13 0.78 -0.23 0.00 0.00 178.00 179.80 2d99 h GLY 42 N 1.97 0.00 1.01 1.56 0.00 -1.92 -2.28 103.07 103.40 2d99 h GLY 42 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 2d99 h GLY 42 CO 0.11 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.59 2d99 h LEU 43 N 0.00 0.84 -6.62 3.11 5.85 -1.86 -3.35 115.31 113.28 2d99 h LEU 43 Ca -0.00 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2d99 h LEU 43 Cb 0.37 -0.23 -0.23 0.00 0.37 0.00 0.00 40.66 40.94 2d99 h LEU 43 CO 0.02 0.98 -0.26 -0.22 -0.34 0.00 0.00 178.44 178.61 2d99 s LEU 44 N -9.31 -1.07 -0.17 2.25 2.96 -0.87 -1.48 118.68 111.00 2d99 s LEU 44 Ca -0.12 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.79 2d99 s LEU 44 Cb 0.11 1.94 -0.04 0.00 0.50 0.00 0.00 46.19 48.70 2d99 s LEU 44 CO 0.82 -0.25 0.05 0.00 -1.32 0.00 0.00 176.35 175.66 2d99 s ALA 45 N 2.79 3.38 -0.22 5.97 0.00 0.15 -4.69 121.76 129.15 2d99 s ALA 45 Ca 0.06 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 2d99 s ALA 45 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2d99 s ALA 45 CO -0.18 0.25 0.42 0.08 0.00 0.00 0.00 175.76 176.33 2d99 s VAL 46 N 0.17 5.17 0.36 0.00 1.01 -1.26 -1.11 120.40 124.74 2d99 s VAL 46 Ca 0.04 0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.83 2d99 s VAL 46 Cb -0.12 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 2d99 s VAL 46 CO 0.01 0.20 -0.05 -1.10 0.00 0.00 0.00 175.10 174.16 2d99 s GLN 47 N 1.61 1.85 -1.20 2.72 -1.52 0.60 -4.72 119.66 119.00 2d99 s GLN 47 Ca 0.19 -1.99 0.00 0.00 -1.95 0.00 0.00 55.36 51.61 2d99 s GLN 47 Cb -0.15 -1.63 0.00 0.00 -0.22 0.00 0.00 33.01 31.01 2d99 s GLN 47 CO 0.09 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.59 2d99 n GLY 48 N -0.84 -0.19 3.81 3.09 0.00 -1.26 0.16 105.19 109.96 2d99 n GLY 48 Ca -0.05 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.02 2.51 -0.62 0.99 1.43 -1.26 -0.35 118.68 117.36 2d99 s LEU 49 Ca 0.00 1.21 -0.27 0.00 -1.03 0.00 0.00 54.13 54.04 2d99 s LEU 49 Cb 0.00 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.45 2d99 s LEU 49 CO 0.00 -2.03 1.53 -2.16 0.23 0.00 0.00 176.35 173.92 2d99 s PRO 50 N -5.21 3.06 0.23 1.29 0.04 -1.26 -4.91 135.00 128.24 2d99 s PRO 50 Ca 0.61 0.33 -0.13 0.00 0.04 0.00 0.00 61.00 61.85 2d99 s PRO 50 Cb -0.14 -4.23 -0.10 0.00 0.04 0.00 0.00 34.50 30.08 2d99 s PRO 50 CO 0.54 -2.25 0.08 -0.85 0.04 0.00 0.00 177.00 174.56 2d99 n GLU 51 N 9.03 0.00 -2.75 4.56 0.28 -1.26 -2.99 120.64 127.51 2d99 n GLU 51 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.05 2d99 n GLU 51 Cb 0.50 -0.61 0.03 0.00 1.43 0.00 0.00 31.44 32.80 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d99 n GLY 52 N 1.40 0.27 0.00 -1.84 0.00 -1.26 -5.03 105.19 98.74 2d99 n GLY 52 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.20 0.00 -3.69 0.99 4.77 -1.16 -5.09 117.00 110.62 2d99 n LEU 53 Ca -0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2d99 n LEU 53 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 2d99 n LEU 53 CO 0.24 0.00 0.22 0.00 -1.33 0.00 0.00 177.39 176.52 2d99 s ALA 54 N -1.18 -1.31 -0.18 -1.18 0.00 -1.26 -5.04 121.76 111.61 2d99 s ALA 54 Ca 0.00 1.41 -0.28 0.00 0.00 0.00 0.00 51.96 53.09 2d99 s ALA 54 Cb 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 2d99 s ALA 54 CO 0.00 -0.26 2.12 0.12 0.00 0.00 0.00 175.76 177.74 2d99 s PHE 55 N 0.08 1.26 0.19 0.00 5.36 -1.26 -4.90 117.98 118.72 2d99 s PHE 55 Ca -0.02 0.35 -0.24 0.00 -0.96 0.00 0.00 56.93 56.07 2d99 s PHE 55 Cb -0.04 -4.01 0.05 0.00 -0.34 0.00 0.00 43.02 38.69 2d99 s PHE 55 CO 0.02 -4.26 0.83 -0.98 -1.46 0.00 0.00 175.22 169.37 2d99 s ARG 56 N 5.87 1.41 0.47 10.12 1.70 -1.26 -5.05 118.95 132.22 2d99 s ARG 56 Ca 0.96 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 55.27 2d99 s ARG 56 Cb -0.34 0.50 -0.15 0.00 -0.57 0.00 0.00 34.95 34.39 2d99 s ARG 56 CO 0.36 -0.64 0.02 0.54 -1.08 0.00 0.00 175.30 174.49 2d99 n ARG 57 N -0.44 0.05 0.24 3.89 1.74 -1.26 -4.81 116.66 116.07 2d99 n ARG 57 Ca -0.06 0.02 0.14 0.00 -0.77 0.00 0.00 57.85 57.18 2d99 n ARG 57 Cb 0.60 -1.06 0.41 0.00 -1.02 0.00 0.00 32.46 31.40 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 0.16 0.00 0.00 5.56 0.13 -1.95 -2.54 132.00 133.36 2d99 h PRO 58 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2d99 h PRO 58 Cb 1.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2d99 h PRO 58 CO 0.44 0.04 -0.36 0.00 -0.23 0.00 0.00 178.00 177.89 2d99 n ALA 59 N -2.11 2.85 0.38 -0.56 0.00 -1.26 -3.31 120.51 116.50 2d99 n ALA 59 Ca 0.02 -0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.37 2d99 n ALA 59 Cb 0.43 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.87 0.42 -1.44 0.00 1.02 -0.97 -4.93 120.64 112.86 2d99 n GLU 60 Ca 0.05 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.92 2d99 n GLU 60 Cb 0.39 -1.66 0.14 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.27 2.46 0.70 -0.32 2.02 -1.12 -5.01 117.35 112.81 2d99 s TYR 61 Ca 0.02 0.95 -0.05 0.00 -0.37 0.00 0.00 57.07 57.62 2d99 s TYR 61 Cb 0.13 -3.31 0.15 0.00 -0.40 0.00 0.00 41.96 38.53 2d99 s TYR 61 CO 0.80 -2.39 0.96 -0.25 -1.57 0.00 0.00 175.55 173.09 2d99 n ASP 62 N -3.81 0.83 0.01 2.29 8.00 -1.26 -4.92 116.55 117.68 2d99 n ASP 62 Ca 0.06 -1.81 -0.18 0.00 0.71 0.00 0.00 54.79 53.57 2d99 n ASP 62 Cb 0.58 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.64 0.00 -0.24 0.13 -1.98 -2.61 132.00 127.94 2d99 h PRO 63 Ca -0.31 -0.62 -0.06 0.00 -0.87 0.00 0.00 66.00 64.14 2d99 h PRO 63 Cb 1.05 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2d99 h PRO 63 CO 0.29 1.23 -0.27 0.87 -0.23 0.00 0.00 178.00 179.90 2d99 h LYS 64 N 0.29 0.00 0.61 0.86 6.56 -1.99 -3.05 116.57 119.85 2d99 h LYS 64 Ca -0.09 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 2d99 h LYS 64 Cb 1.48 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.14 2d99 h LYS 64 CO 0.16 0.27 -0.29 0.00 -2.06 0.00 0.00 179.45 177.53 2d99 h ALA 65 N 1.73 -0.82 -0.98 3.86 0.00 -1.93 -0.13 119.26 121.00 2d99 h ALA 65 Ca -0.00 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 54.98 2d99 h ALA 65 Cb 0.93 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 2d99 h ALA 65 CO 0.03 -0.77 0.53 -0.07 0.00 0.00 0.00 179.25 178.97 2d99 h LEU 66 N -1.20 0.53 -1.01 0.00 3.38 -1.50 1.43 115.31 116.93 2d99 h LEU 66 Ca -0.08 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2d99 h LEU 66 Cb 0.64 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2d99 h LEU 66 CO 0.14 0.00 -0.42 0.24 0.09 0.00 0.00 178.44 178.49 2d99 h MET 67 N 0.46 0.15 0.00 1.13 2.86 -1.44 -1.16 114.93 116.93 2d99 h MET 67 Ca 0.65 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 58.19 2d99 h MET 67 Cb 1.31 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 2d99 h MET 67 CO -0.53 0.55 -0.29 0.00 1.06 0.00 0.00 176.91 177.70 2d99 h ALA 68 N 1.44 0.85 0.06 6.32 0.00 0.34 -2.67 119.26 125.60 2d99 h ALA 68 Ca 0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2d99 h ALA 68 Cb 0.80 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2d99 h ALA 68 CO 0.06 0.16 -0.87 0.82 0.00 0.00 0.00 179.25 179.42 2d99 h ILE 69 N 0.00 1.38 0.00 0.00 2.04 0.15 0.30 117.51 121.38 2d99 h ILE 69 Ca -0.01 -2.28 -0.07 0.00 1.00 0.00 0.00 64.86 63.50 2d99 h ILE 69 Cb 1.10 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.87 2d99 h ILE 69 CO 0.01 0.68 -0.35 -0.07 0.00 0.00 0.00 178.15 178.42 2d99 h LEU 70 N 0.02 0.00 0.19 1.44 3.38 -1.27 1.54 115.31 120.61 2d99 h LEU 70 Ca -0.13 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.51 2d99 h LEU 70 Cb 1.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.35 2d99 h LEU 70 CO 0.17 0.35 -1.64 -0.33 0.09 0.00 0.00 178.44 177.07 2d99 h GLU 71 N 0.00 0.40 0.00 1.13 5.08 -1.45 -3.30 114.58 116.45 2d99 h GLU 71 Ca -0.00 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 2d99 h GLU 71 Cb 0.74 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2d99 h GLU 71 CO 0.04 1.31 -0.35 0.72 -1.00 0.00 0.00 179.01 179.74 2d99 n HIS 72 N -3.60 0.05 -0.30 4.33 8.25 0.10 -3.98 115.22 120.08 2d99 n HIS 72 Ca -0.21 0.01 0.14 0.00 -0.26 0.00 0.00 57.72 57.40 2d99 n HIS 72 Cb 1.08 -0.36 0.31 0.00 1.12 0.00 0.00 29.99 32.14 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 0.18 -0.36 0.41 4.64 0.21 1.69 113.55 120.33 2d99 h SER 73 Ca 0.00 0.18 0.11 0.00 -0.47 0.00 0.00 61.79 61.60 2d99 h SER 73 Cb 0.52 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2d99 h SER 73 CO 0.00 -0.09 0.59 1.12 -0.87 0.00 0.00 176.83 177.58 2d99 h HIS 74 N 0.30 0.00 0.00 4.77 2.07 -1.79 0.26 115.15 120.76 2d99 h HIS 74 Ca 0.56 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.73 2d99 h HIS 74 Cb 1.12 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.04 2d99 h HIS 74 CO -0.19 0.00 -2.35 0.54 -3.07 0.00 0.00 177.93 172.87 2d99 n ARG 75 N -3.30 0.74 -1.72 5.12 1.74 0.55 -4.95 116.66 114.84 2d99 n ARG 75 Ca 0.07 0.07 -0.59 0.00 -0.77 0.00 0.00 57.85 56.63 2d99 n ARG 75 Cb 0.73 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.61 2d99 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2d99 n ILE 76 N -2.98 0.25 -4.01 0.55 5.41 0.91 -4.11 119.36 115.37 2d99 n ILE 76 Ca -0.38 -0.05 -0.19 0.00 1.00 0.00 0.00 62.75 63.14 2d99 n ILE 76 Cb 1.03 -1.09 -0.16 0.00 -0.71 0.00 0.00 39.64 38.70 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 3.42 0.53 0.22 0.38 1.81 0.43 -4.91 118.95 120.83 2d99 s ARG 77 Ca 0.99 0.01 -0.19 0.00 -1.72 0.00 0.00 55.73 54.82 2d99 s ARG 77 Cb -1.15 -0.66 -0.08 0.00 -0.45 0.00 0.00 34.95 32.61 2d99 s ARG 77 CO 0.68 -0.12 0.72 -0.06 -0.68 0.00 0.00 175.30 175.84 2d99 s PHE 78 N 1.04 3.65 -0.14 -0.53 0.40 -1.26 -0.29 117.98 120.85 2d99 s PHE 78 Ca -0.09 1.38 -0.01 0.00 -0.60 0.00 0.00 56.93 57.60 2d99 s PHE 78 Cb -0.14 -2.61 0.04 0.00 0.51 0.00 0.00 43.02 40.82 2d99 s PHE 78 CO -0.01 0.34 -0.04 0.15 0.70 0.00 0.00 175.22 176.36 2d99 s LYS 79 N -1.97 1.25 0.18 0.44 -0.14 -0.26 -4.94 119.74 114.31 2d99 s LYS 79 Ca 0.43 -0.35 -0.09 0.00 -1.36 0.00 0.00 55.97 54.60 2d99 s LYS 79 Cb -0.17 -1.76 -0.07 0.00 -1.68 0.00 0.00 37.83 34.16 2d99 s LYS 79 CO 0.21 -0.39 0.49 -0.51 -0.76 0.00 0.00 175.35 174.39 2d99 s LEU 80 N 1.73 4.23 0.30 3.17 1.43 -1.26 -0.67 118.68 127.60 2d99 s LEU 80 Ca 0.02 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 53.71 2d99 s LEU 80 Cb -0.14 -3.47 -0.14 0.00 0.03 0.00 0.00 46.19 42.46 2d99 s LEU 80 CO -0.07 0.00 0.77 2.29 0.23 0.00 0.00 176.35 179.57 2d99 n LYS 81 N 0.14 0.82 -1.64 1.70 2.85 -0.55 -4.48 118.16 117.00 2d99 n LYS 81 Ca -0.02 0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 2d99 n LYS 81 Cb 0.52 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 2d99 n LYS 81 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2d99 n ARG 82 N 0.75 -4.64 -2.46 -1.58 0.00 -1.26 -4.84 116.66 102.64 2d99 n ARG 82 Ca 0.12 3.38 -0.42 0.00 -0.00 0.00 0.00 57.85 60.93 2d99 n ARG 82 Cb 0.32 -3.75 -0.03 0.00 0.00 0.00 0.00 32.46 29.01 2d99 n ARG 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2d99 s PRO 83 N -2.81 4.40 -0.31 -0.14 0.04 -1.26 -4.96 135.00 129.96 2d99 s PRO 83 Ca 0.00 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 2d99 s PRO 83 Cb 0.00 -3.45 0.19 0.00 0.04 0.00 0.00 34.50 31.28 2d99 s PRO 83 CO 0.00 -0.33 1.02 -1.54 0.04 0.00 0.00 177.00 176.20 2d99 s SER 84 N 1.25 -0.44 1.21 6.66 1.04 -1.26 -5.17 113.70 117.00 2d99 s SER 84 Ca 0.57 -0.06 -0.16 0.00 0.48 0.00 0.00 55.95 56.79 2d99 s SER 84 Cb -0.27 0.98 0.26 0.00 0.10 0.00 0.00 66.02 67.09 2d99 s SER 84 CO 0.26 -0.07 0.73 -1.54 0.98 0.00 0.00 173.24 173.60 2d99 n SER 85 N 4.55 -2.31 -2.72 7.02 3.41 -1.26 -5.05 113.62 117.25 2d99 n SER 85 Ca 0.08 -0.28 -0.12 0.00 -0.26 0.00 0.00 58.87 58.30 2d99 n SER 85 Cb 0.60 -1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.40 2d99 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d99 n GLY 86 N 1.44 1.98 3.78 5.00 0.00 -1.26 -5.14 105.19 110.98 2d99 n GLY 86 Ca 0.03 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.57 0.20 0.42 1.61 0.04 -1.26 -5.01 135.00 128.43 2d99 s PRO 87 Ca 0.23 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2d99 s PRO 87 Cb -0.02 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2d99 s PRO 87 CO 0.17 -2.76 0.00 0.45 0.04 0.00 0.00 177.00 174.89 2d99 n SER 88 N -4.09 -3.27 -4.76 6.66 2.88 -1.26 -4.90 113.62 104.89 2d99 n SER 88 Ca 0.12 0.79 -0.41 0.00 -1.33 0.00 0.00 58.87 58.03 2d99 n SER 88 Cb 0.59 3.10 -0.01 0.00 -0.75 0.00 0.00 64.21 67.14 2d99 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d99 n SER 89 N -3.41 3.86 0.00 -3.46 2.88 -1.26 -5.19 113.62 107.05 2d99 n SER 89 Ca 0.00 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2d99 n SER 89 Cb 0.00 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 61.85 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42