#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 -0.08 0.27 1.61 1.04 -1.26 -5.09 113.70 110.19 2d99 s SER 2 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2d99 s SER 2 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2d99 s SER 2 CO 0.00 -0.06 0.00 -1.20 0.98 0.00 0.00 173.24 172.96 2d99 n SER 3 N 0.86 -0.16 -3.67 7.02 7.64 -1.26 -5.13 113.62 118.92 2d99 n SER 3 Ca -0.04 0.47 -0.12 0.00 1.01 0.00 0.00 58.87 60.18 2d99 n SER 3 Cb 0.58 0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 64.08 2d99 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d99 s GLY 4 N -4.99 -0.45 0.18 0.23 0.00 -1.26 -5.17 107.32 95.87 2d99 s GLY 4 Ca 0.00 1.72 -0.21 0.00 0.00 0.00 0.00 44.72 46.23 2d99 s GLY 4 CO 0.00 1.56 0.59 -0.45 0.00 0.00 0.00 173.10 174.79 2d99 s SER 5 N 0.58 -0.42 0.22 1.64 0.15 -1.26 -5.19 113.70 109.42 2d99 s SER 5 Ca -0.02 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2d99 s SER 5 Cb -0.05 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 2d99 s SER 5 CO -0.03 -1.04 0.14 -0.44 1.20 0.00 0.00 173.24 173.07 2d99 s SER 6 N -2.81 0.40 0.00 5.45 0.01 -1.26 -4.98 113.70 110.51 2d99 s SER 6 Ca 0.05 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.88 2d99 s SER 6 Cb -0.02 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2d99 s SER 6 CO -0.07 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.33 2d99 n GLY 7 N -0.32 3.57 0.32 3.44 0.00 -1.26 -4.55 105.19 106.38 2d99 n GLY 7 Ca 0.02 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.64 -0.84 0.99 3.38 -1.98 0.13 115.31 116.34 2d99 h LEU 8 Ca 0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2d99 h LEU 8 Cb 0.00 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2d99 h LEU 8 CO 0.00 -0.38 -0.12 -0.09 0.09 0.00 0.00 178.44 177.93 2d99 h ARG 9 N -0.88 0.73 0.00 1.13 2.43 -1.92 -1.93 114.38 113.94 2d99 h ARG 9 Ca -0.08 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 2d99 h ARG 9 Cb 0.63 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2d99 h ARG 9 CO 0.13 0.82 -0.11 -0.22 -1.51 0.00 0.00 179.97 179.09 2d99 h LYS 10 N 0.66 0.00 0.10 0.20 1.63 -1.77 0.58 116.57 117.97 2d99 h LYS 10 Ca 0.11 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2d99 h LYS 10 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2d99 h LYS 10 CO 0.04 0.11 -0.05 0.52 -3.45 0.00 0.00 179.45 176.62 2d99 h MET 11 N 0.00 -0.13 0.00 1.90 2.86 0.00 -3.18 114.93 116.39 2d99 h MET 11 Ca -0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2d99 h MET 11 Cb 0.19 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2d99 h MET 11 CO 0.01 0.40 -0.01 -0.24 1.06 0.00 0.00 176.91 178.13 2d99 h VAL 12 N -0.82 0.02 -0.71 -2.22 3.04 -1.13 -2.65 116.25 111.78 2d99 h VAL 12 Ca -0.01 -0.43 0.03 0.00 -1.01 0.00 0.00 66.70 65.27 2d99 h VAL 12 Cb 0.58 1.43 -0.04 0.00 -2.01 0.00 0.00 31.29 31.24 2d99 h VAL 12 CO 0.02 0.01 0.45 -0.33 -1.01 0.00 0.00 177.57 176.70 2d99 h GLU 13 N 0.00 0.85 0.17 4.17 4.39 0.18 -2.34 114.58 122.01 2d99 h GLU 13 Ca -0.00 -0.05 -0.31 0.00 0.34 0.00 0.00 59.36 59.34 2d99 h GLU 13 Cb 0.43 -0.19 0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2d99 h GLU 13 CO 0.00 0.56 -1.33 1.05 -1.16 0.00 0.00 179.01 178.13 2d99 h GLU 14 N 0.88 0.51 0.00 2.33 4.11 -1.51 -3.25 114.58 117.64 2d99 h GLU 14 Ca 0.28 -0.78 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2d99 h GLU 14 Cb 0.01 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2d99 h GLU 14 CO -0.10 1.36 0.00 0.28 0.07 0.00 0.00 179.01 180.62 2d99 n VAL 15 N -3.70 0.00 -0.46 -1.06 0.31 -1.00 0.20 118.33 112.62 2d99 n VAL 15 Ca -0.14 1.27 0.38 0.00 -0.01 0.00 0.00 64.34 65.85 2d99 n VAL 15 Cb 1.04 -1.92 0.67 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.40 0.54 3.52 0.04 -1.60 0.51 116.94 120.35 2d99 h PHE 16 Ca 0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2d99 h PHE 16 Cb 0.00 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 38.05 2d99 h PHE 16 CO -0.33 -0.12 -0.26 -0.44 -0.60 0.00 0.00 178.31 176.56 2d99 h ASP 17 N 0.10 -0.62 -0.42 2.17 5.19 -0.79 -1.26 116.42 120.79 2d99 h ASP 17 Ca 0.79 0.02 0.09 0.00 -0.62 0.00 0.00 57.03 57.31 2d99 h ASP 17 Cb 2.62 0.16 -0.08 0.00 0.18 0.00 0.00 39.33 42.21 2d99 h ASP 17 CO -0.30 -0.21 -0.14 0.58 -3.12 0.00 0.00 179.24 176.05 2d99 h VAL 18 N -1.19 0.51 -0.28 -1.35 2.07 0.55 0.17 116.25 116.72 2d99 h VAL 18 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2d99 h VAL 18 Cb 0.56 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 2d99 h VAL 18 CO 0.12 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.40 2d99 h LEU 19 N -0.05 -0.80 0.13 2.57 3.38 -0.22 0.70 115.31 121.03 2d99 h LEU 19 Ca 0.20 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.34 2d99 h LEU 19 Cb 0.36 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2d99 h LEU 19 CO -0.46 -0.28 -0.35 0.22 0.09 0.00 0.00 178.44 177.66 2d99 h TYR 20 N -0.23 -0.97 -0.96 1.13 3.20 0.11 0.16 116.97 119.41 2d99 h TYR 20 Ca 0.15 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.15 2d99 h TYR 20 Cb 0.47 0.41 -0.08 0.00 1.54 0.00 0.00 36.73 39.06 2d99 h TYR 20 CO -0.42 -0.46 0.59 1.03 -1.64 0.00 0.00 178.16 177.26 2d99 h SER 21 N -0.59 0.87 -0.63 -2.11 0.87 -0.05 0.73 113.55 112.64 2d99 h SER 21 Ca 0.03 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2d99 h SER 21 Cb 0.62 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2d99 h SER 21 CO -0.20 0.47 0.39 -0.33 -0.53 0.00 0.00 176.83 176.63 2d99 h GLU 22 N 0.95 0.84 -0.05 2.24 4.39 0.14 1.12 114.58 124.22 2d99 h GLU 22 Ca 0.47 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.95 2d99 h GLU 22 Cb 0.43 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2d99 h GLU 22 CO -0.26 0.60 -0.64 0.00 -1.16 0.00 0.00 179.01 177.55 2d99 h ALA 23 N 1.20 0.84 0.00 3.43 0.00 0.91 -2.66 119.26 122.99 2d99 h ALA 23 Ca 0.23 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2d99 h ALA 23 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2d99 h ALA 23 CO -0.04 0.76 -0.22 -0.07 0.00 0.00 0.00 179.25 179.68 2d99 h LEU 24 N 0.13 0.00 1.34 0.00 3.38 0.12 -3.45 115.31 116.83 2d99 h LEU 24 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2d99 h LEU 24 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2d99 h LEU 24 CO 0.09 0.22 -0.30 0.61 0.09 0.00 0.00 178.44 179.16 2d99 n GLY 25 N 0.82 -0.07 3.92 0.83 0.00 0.38 -4.94 105.19 106.13 2d99 n GLY 25 Ca 0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.68 1.65 -0.18 1.61 1.81 -0.69 -4.88 118.95 113.59 2d99 s ARG 26 Ca 0.03 -0.19 -0.10 0.00 -1.72 0.00 0.00 55.73 53.75 2d99 s ARG 26 Cb -0.01 -2.00 -0.21 0.00 -0.45 0.00 0.00 34.95 32.28 2d99 s ARG 26 CO 0.04 -1.72 0.15 0.00 -0.68 0.00 0.00 175.30 173.09 2d99 n ALA 27 N -3.32 0.97 -2.75 2.13 0.00 -1.26 -4.65 120.51 111.64 2d99 n ALA 27 Ca 0.10 -0.69 -0.24 0.00 0.00 0.00 0.00 53.44 52.61 2d99 n ALA 27 Cb 0.60 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 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 -6.96 6.32 -0.57 0.00 0.01 -1.26 -4.27 113.70 106.96 2d99 s SER 28 Ca -0.28 0.36 -0.26 0.00 1.31 0.00 0.00 55.95 57.08 2d99 s SER 28 Cb 0.08 -1.99 0.04 0.00 0.21 0.00 0.00 66.02 64.35 2d99 s SER 28 CO 0.66 -0.21 1.07 -0.69 0.41 0.00 0.00 173.24 174.49 2d99 s VAL 29 N -2.17 4.19 0.35 3.43 1.01 -1.26 -4.89 120.40 121.06 2d99 s VAL 29 Ca 0.38 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 62.86 2d99 s VAL 29 Cb -0.10 -4.64 -0.06 0.00 0.00 0.00 0.00 36.38 31.59 2d99 s VAL 29 CO 0.33 -1.25 0.66 0.68 0.00 0.00 0.00 175.10 175.53 2d99 s VAL 30 N 4.48 4.91 1.03 2.92 -7.23 -1.26 -5.01 120.40 120.23 2d99 s VAL 30 Ca 0.36 0.31 -0.16 0.00 -1.81 0.00 0.00 61.98 60.68 2d99 s VAL 30 Cb -0.10 -3.74 0.21 0.00 0.56 0.00 0.00 36.38 33.31 2d99 s VAL 30 CO 0.22 -0.44 1.20 -2.16 -0.31 0.00 0.00 175.10 173.60 2d99 s PRO 31 N -3.75 0.18 -0.32 4.82 0.04 -1.26 -4.61 135.00 130.10 2d99 s PRO 31 Ca 0.47 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.46 2d99 s PRO 31 Cb -0.10 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.76 2d99 s PRO 31 CO 0.31 -2.77 0.02 -1.17 0.04 0.00 0.00 177.00 173.43 2d99 s LEU 32 N -6.28 4.47 -1.15 -3.56 2.96 -1.26 -4.95 118.68 108.91 2d99 s LEU 32 Ca 0.70 -1.96 -0.21 0.00 -0.22 0.00 0.00 54.13 52.43 2d99 s LEU 32 Cb -0.09 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 2d99 s LEU 32 CO 0.54 -0.34 1.79 -2.16 -1.32 0.00 0.00 176.35 174.85 2d99 s PRO 33 N 0.96 3.21 0.10 0.98 0.04 -1.26 -4.79 135.00 134.24 2d99 s PRO 33 Ca 0.06 -1.31 -0.24 0.00 0.04 0.00 0.00 61.00 59.55 2d99 s PRO 33 Cb -0.19 -5.34 -0.10 0.00 0.04 0.00 0.00 34.50 28.90 2d99 s PRO 33 CO -0.07 -3.00 1.70 1.88 0.04 0.00 0.00 177.00 177.55 2d99 h TYR 34 N 9.23 -0.26 -1.80 0.56 0.05 -1.96 0.13 116.97 122.92 2d99 h TYR 34 Ca 0.28 0.01 0.53 0.00 0.05 0.00 0.00 58.73 59.59 2d99 h TYR 34 Cb 0.94 0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.71 2d99 h TYR 34 CO 1.30 -0.16 1.28 1.05 -1.05 0.00 0.00 178.16 180.58 2d99 h GLU 35 N -0.20 0.01 0.00 4.88 4.11 -1.98 1.59 114.58 122.99 2d99 h GLU 35 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2d99 h GLU 35 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2d99 h GLU 35 CO -0.07 0.00 -0.11 0.54 0.07 0.00 0.00 179.01 179.44 2d99 n ARG 36 N -4.06 0.09 -0.38 1.06 1.74 -0.54 -3.61 116.66 110.96 2d99 n ARG 36 Ca 0.41 0.24 0.31 0.00 -0.77 0.00 0.00 57.85 58.05 2d99 n ARG 36 Cb 1.85 -0.87 0.58 0.00 -1.02 0.00 0.00 32.46 33.00 2d99 n ARG 36 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2d99 h LEU 37 N -0.19 0.36 -0.28 0.55 3.38 -0.09 1.50 115.31 120.54 2d99 h LEU 37 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2d99 h LEU 37 Cb 0.11 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2d99 h LEU 37 CO 0.00 -0.20 0.18 -0.07 0.09 0.00 0.00 178.44 178.43 2d99 h LEU 38 N 0.16 0.33 -0.86 1.67 3.38 0.21 -2.20 115.31 118.00 2d99 h LEU 38 Ca 0.79 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.85 2d99 h LEU 38 Cb 2.17 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.75 2d99 h LEU 38 CO -0.54 0.26 0.48 -0.09 0.09 0.00 0.00 178.44 178.64 2d99 h ARG 39 N 0.37 0.70 -4.49 1.13 2.43 0.20 -3.34 114.38 111.38 2d99 h ARG 39 Ca 0.10 -0.04 -0.64 0.00 -0.81 0.00 0.00 59.98 58.59 2d99 h ARG 39 Cb -0.01 -0.16 -0.39 0.00 -0.42 0.00 0.00 29.97 28.99 2d99 h ARG 39 CO -0.02 0.47 -0.75 -1.83 -1.51 0.00 0.00 179.97 176.32 2d99 s GLU 40 N -5.99 1.54 0.44 0.20 -1.05 -0.79 -4.95 118.70 108.10 2d99 s GLU 40 Ca -0.12 -1.50 0.24 0.00 -0.15 0.00 0.00 54.97 53.45 2d99 s GLU 40 Cb 0.21 -2.85 0.71 0.00 -0.44 0.00 0.00 34.13 31.76 2d99 s GLU 40 CO 0.78 -0.81 1.74 -1.00 0.95 0.00 0.00 175.26 176.92 2d99 h PRO 41 N 7.77 0.00 0.00 -4.83 0.13 -1.67 -2.96 132.00 130.44 2d99 h PRO 41 Ca -0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 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 0.48 0.16 -0.44 0.78 -0.23 0.00 0.00 178.00 178.75 2d99 h GLY 42 N 2.85 0.00 1.00 1.56 0.00 -1.93 -3.01 103.07 103.55 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 0.85 -6.30 3.11 5.85 -1.84 -3.35 115.31 113.64 2d99 h LEU 43 Ca -0.00 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 2d99 h LEU 43 Cb 1.06 -0.23 -0.26 0.00 0.37 0.00 0.00 40.66 41.60 2d99 h LEU 43 CO 0.06 0.89 -0.39 -0.22 -0.34 0.00 0.00 178.44 178.43 2d99 s LEU 44 N -9.53 -0.94 -0.19 2.25 2.96 -1.17 -1.74 118.68 110.33 2d99 s LEU 44 Ca -0.13 0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 54.18 2d99 s LEU 44 Cb 0.12 1.55 -0.05 0.00 0.50 0.00 0.00 46.19 48.31 2d99 s LEU 44 CO 0.81 -0.28 0.20 0.00 -1.32 0.00 0.00 176.35 175.76 2d99 s ALA 45 N 2.67 3.64 -0.16 5.97 0.00 0.00 -4.73 121.76 129.16 2d99 s ALA 45 Ca 0.16 -0.61 -0.22 0.00 0.00 0.00 0.00 51.96 51.29 2d99 s ALA 45 Cb -0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 2d99 s ALA 45 CO -0.18 0.09 0.69 0.08 0.00 0.00 0.00 175.76 176.44 2d99 s VAL 46 N 0.49 5.00 0.35 0.00 1.01 -1.26 -1.26 120.40 124.73 2d99 s VAL 46 Ca 0.12 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.51 2d99 s VAL 46 Cb -0.12 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 2d99 s VAL 46 CO 0.01 0.13 -0.04 -1.10 0.00 0.00 0.00 175.10 174.10 2d99 s GLN 47 N 1.67 1.79 -1.07 2.72 -1.52 0.12 -4.73 119.66 118.64 2d99 s GLN 47 Ca 0.33 -1.96 0.00 0.00 -1.95 0.00 0.00 55.36 51.78 2d99 s GLN 47 Cb -0.16 -1.48 0.00 0.00 -0.22 0.00 0.00 33.01 31.15 2d99 s GLN 47 CO 0.12 0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.60 2d99 n GLY 48 N -0.80 -0.11 3.58 3.09 0.00 -1.26 0.20 105.19 109.89 2d99 n GLY 48 Ca -0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.56 1.53 0.00 0.99 1.43 -1.26 -0.20 118.68 117.61 2d99 s LEU 49 Ca 0.00 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.79 2d99 s LEU 49 Cb 0.00 -3.74 0.38 0.00 0.03 0.00 0.00 46.19 42.87 2d99 s LEU 49 CO 0.00 -3.66 1.03 -0.81 0.23 0.00 0.00 176.35 173.14 2d99 n PRO 50 N -4.56 0.75 -1.56 1.29 -0.04 -1.26 -4.81 135.00 124.80 2d99 n PRO 50 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2d99 n PRO 50 Cb 0.54 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2d99 n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2d99 n GLU 51 N -0.63 -4.27 -2.34 0.54 -0.58 -1.26 -4.81 120.64 107.28 2d99 n GLU 51 Ca 0.05 3.25 -0.12 0.00 -0.42 0.00 0.00 57.16 59.92 2d99 n GLU 51 Cb 0.02 -3.88 0.00 0.00 -0.57 0.00 0.00 31.44 27.01 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d99 n GLY 52 N -1.83 -0.11 0.06 0.62 0.00 -1.26 -4.99 105.19 97.68 2d99 n GLY 52 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.92 0.00 -3.77 0.99 4.77 -1.26 -5.14 117.00 110.67 2d99 n LEU 53 Ca -0.13 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 2d99 n LEU 53 Cb 0.60 0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.60 2d99 n LEU 53 CO 0.19 -0.01 -0.14 0.00 -1.33 0.00 0.00 177.39 176.10 2d99 s ALA 54 N -1.95 -0.50 -0.22 -1.18 0.00 -1.26 -5.07 121.76 111.58 2d99 s ALA 54 Ca 0.01 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 2d99 s ALA 54 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 2d99 s ALA 54 CO 0.00 -0.14 2.20 0.34 0.00 0.00 0.00 175.76 178.16 2d99 n PHE 55 N 3.61 1.95 -3.78 0.00 7.35 -1.26 -4.89 117.46 120.45 2d99 n PHE 55 Ca -0.19 -0.08 -0.06 0.00 -0.76 0.00 0.00 57.45 56.36 2d99 n PHE 55 Cb 0.56 -2.70 -0.02 0.00 0.35 0.00 0.00 39.48 37.67 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 6.16 1.44 0.58 -4.13 1.70 -1.26 -5.04 118.95 118.39 2d99 s ARG 56 Ca 1.01 -0.78 -0.18 0.00 -0.47 0.00 0.00 55.73 55.32 2d99 s ARG 56 Cb -0.43 0.50 -0.14 0.00 -0.57 0.00 0.00 34.95 34.31 2d99 s ARG 56 CO 0.38 -0.66 -0.15 0.54 -1.08 0.00 0.00 175.30 174.34 2d99 n ARG 57 N -0.45 0.04 0.22 3.89 1.74 -1.26 -4.77 116.66 116.07 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 -1.08 0.44 0.00 -1.02 0.00 0.00 32.46 31.41 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 -0.13 0.00 0.07 5.56 0.13 -1.93 -2.66 132.00 133.05 2d99 h PRO 58 Ca -0.42 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.41 2d99 h PRO 58 Cb 1.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.53 2d99 h PRO 58 CO 0.40 0.00 -1.58 0.00 -0.23 0.00 0.00 178.00 176.59 2d99 h ALA 59 N 2.09 0.43 0.00 -0.56 0.00 -1.90 -3.30 119.26 116.02 2d99 h ALA 59 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 54.91 53.60 2d99 h ALA 59 Cb 0.70 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2d99 h ALA 59 CO 0.00 1.29 -0.42 0.93 0.00 0.00 0.00 179.25 181.05 2d99 h GLU 60 N 0.04 0.00 -7.09 0.00 4.39 -1.87 -3.45 114.58 106.61 2d99 h GLU 60 Ca -0.25 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.03 2d99 h GLU 60 Cb 1.99 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 30.86 2d99 h GLU 60 CO 0.13 0.42 -0.05 0.71 -1.16 0.00 0.00 179.01 179.06 2d99 s TYR 61 N -3.93 0.86 0.77 4.33 2.02 -1.02 -5.02 117.35 115.37 2d99 s TYR 61 Ca -0.02 1.04 -0.08 0.00 -0.37 0.00 0.00 57.07 57.65 2d99 s TYR 61 Cb 0.13 -3.02 0.17 0.00 -0.40 0.00 0.00 41.96 38.84 2d99 s TYR 61 CO 0.72 -4.27 1.05 -0.25 -1.57 0.00 0.00 175.55 171.23 2d99 n ASP 62 N -5.19 0.64 0.00 2.29 8.00 -1.26 -4.94 116.55 116.09 2d99 n ASP 62 Ca 0.04 -1.72 -0.11 0.00 0.71 0.00 0.00 54.79 53.71 2d99 n ASP 62 Cb 0.55 -0.75 -0.09 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 -0.11 0.00 -0.24 0.13 -1.97 -2.90 132.00 126.91 2d99 h PRO 63 Ca -0.34 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 2d99 h PRO 63 Cb 1.08 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2d99 h PRO 63 CO 0.30 0.44 -0.18 0.87 -0.23 0.00 0.00 178.00 179.19 2d99 h LYS 64 N -0.86 0.00 0.71 0.86 6.56 -1.99 -3.04 116.57 118.81 2d99 h LYS 64 Ca -0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2d99 h LYS 64 Cb 0.59 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.26 2d99 h LYS 64 CO 0.02 0.18 -0.34 0.00 -2.06 0.00 0.00 179.45 177.24 2d99 h ALA 65 N 1.82 -1.20 -0.93 3.86 0.00 -1.94 0.86 119.26 121.72 2d99 h ALA 65 Ca -0.00 -0.21 0.28 0.00 0.00 0.00 0.00 54.91 54.98 2d99 h ALA 65 Cb 0.45 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 18.46 2d99 h ALA 65 CO 0.02 -1.13 0.30 -0.07 0.00 0.00 0.00 179.25 178.37 2d99 h LEU 66 N -0.99 0.06 -1.02 0.00 3.38 -1.41 1.70 115.31 117.03 2d99 h LEU 66 Ca -0.10 0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2d99 h LEU 66 Cb 0.73 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2d99 h LEU 66 CO 0.16 -0.22 0.08 0.24 0.09 0.00 0.00 178.44 178.80 2d99 h MET 67 N 0.18 0.78 0.00 1.13 2.86 -1.38 0.24 114.93 118.74 2d99 h MET 67 Ca 0.63 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.99 2d99 h MET 67 Cb 1.37 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 2d99 h MET 67 CO -0.70 0.74 -0.51 0.00 1.06 0.00 0.00 176.91 177.49 2d99 h ALA 68 N 1.34 0.78 -0.08 6.32 0.00 0.46 -1.53 119.26 126.54 2d99 h ALA 68 Ca 0.16 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2d99 h ALA 68 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2d99 h ALA 68 CO 0.01 0.64 -0.19 0.82 0.00 0.00 0.00 179.25 180.53 2d99 h ILE 69 N 0.00 1.41 0.00 0.00 2.04 0.17 0.68 117.51 121.81 2d99 h ILE 69 Ca -0.01 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 2d99 h ILE 69 Cb 1.22 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 2d99 h ILE 69 CO 0.07 0.43 -0.27 -0.07 0.00 0.00 0.00 178.15 178.31 2d99 h LEU 70 N -0.20 0.00 0.23 1.44 3.38 -0.98 1.62 115.31 120.80 2d99 h LEU 70 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 2d99 h LEU 70 Cb 0.79 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.57 2d99 h LEU 70 CO 0.04 0.27 -1.59 -0.33 0.09 0.00 0.00 178.44 176.92 2d99 h GLU 71 N 0.00 0.49 0.00 1.13 5.08 -1.14 -3.29 114.58 116.85 2d99 h GLU 71 Ca -0.00 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 2d99 h GLU 71 Cb 0.68 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2d99 h GLU 71 CO 0.04 1.40 -0.43 0.72 -1.00 0.00 0.00 179.01 179.73 2d99 n HIS 72 N -3.67 0.07 0.03 4.33 8.25 0.23 -3.91 115.22 120.56 2d99 n HIS 72 Ca -0.20 0.02 0.21 0.00 -0.26 0.00 0.00 57.72 57.49 2d99 n HIS 72 Cb 1.10 -0.34 0.60 0.00 1.12 0.00 0.00 29.99 32.46 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 0.07 0.41 4.64 0.23 1.64 113.55 120.55 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 0.53 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 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2d99 n HIS 74 N -3.38 0.76 -0.02 4.77 1.44 -1.25 -2.25 115.22 115.29 2d99 n HIS 74 Ca 0.11 0.39 -0.03 0.00 -2.01 0.00 0.00 57.72 56.18 2d99 n HIS 74 Cb 0.94 -1.12 -0.03 0.00 0.12 0.00 0.00 29.99 29.90 2d99 n HIS 74 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2d99 n ARG 75 N -2.27 1.76 -1.69 -1.40 1.74 0.55 -5.01 116.66 110.34 2d99 n ARG 75 Ca -0.01 0.01 -0.66 0.00 -0.77 0.00 0.00 57.85 56.42 2d99 n ARG 75 Cb 0.05 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.40 0.02 -3.76 0.55 5.41 0.73 -4.14 119.36 115.76 2d99 n ILE 76 Ca -0.08 -0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.51 2d99 n ILE 76 Cb 0.62 -0.54 -0.16 0.00 -0.71 0.00 0.00 39.64 38.85 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 3.41 -0.04 0.49 0.38 0.52 0.53 -4.88 118.95 119.36 2d99 s ARG 77 Ca 1.07 0.22 -0.14 0.00 -0.52 0.00 0.00 55.73 56.35 2d99 s ARG 77 Cb -1.47 -0.27 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 2d99 s ARG 77 CO 0.79 -0.18 0.92 -0.06 0.02 0.00 0.00 175.30 176.79 2d99 s PHE 78 N 1.17 3.47 -0.09 -0.53 0.40 -1.26 0.10 117.98 121.25 2d99 s PHE 78 Ca -0.08 1.33 -0.03 0.00 -0.60 0.00 0.00 56.93 57.55 2d99 s PHE 78 Cb -0.13 -2.68 0.04 0.00 0.51 0.00 0.00 43.02 40.76 2d99 s PHE 78 CO -0.03 -0.30 0.06 0.15 0.70 0.00 0.00 175.22 175.79 2d99 s LYS 79 N -4.06 0.10 0.26 0.44 -0.14 -0.39 -4.87 119.74 111.08 2d99 s LYS 79 Ca 0.56 0.18 -0.11 0.00 -1.36 0.00 0.00 55.97 55.24 2d99 s LYS 79 Cb -0.10 -1.00 -0.08 0.00 -1.68 0.00 0.00 37.83 34.97 2d99 s LYS 79 CO 0.32 -0.43 0.60 -0.51 -0.76 0.00 0.00 175.35 174.58 2d99 s LEU 80 N 2.11 4.13 0.61 3.17 1.43 -1.26 -0.82 118.68 128.06 2d99 s LEU 80 Ca 0.04 1.01 0.29 0.00 -1.03 0.00 0.00 54.13 54.43 2d99 s LEU 80 Cb -0.13 -3.78 1.51 0.00 0.03 0.00 0.00 46.19 43.81 2d99 s LEU 80 CO -0.05 -0.12 1.90 0.07 0.23 0.00 0.00 176.35 178.38 2d99 h LYS 81 N 2.42 0.00 -4.87 1.70 2.10 -1.47 -3.40 116.57 113.04 2d99 h LYS 81 Ca -0.47 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.87 2d99 h LYS 81 Cb 1.17 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.31 2d99 h LYS 81 CO 0.68 0.00 -0.74 0.50 -2.00 0.00 0.00 179.45 177.89 2d99 s ARG 82 N -4.47 0.74 0.96 0.07 3.52 -1.26 -5.09 118.95 113.41 2d99 s ARG 82 Ca -0.04 -1.01 -0.14 0.00 -0.13 0.00 0.00 55.73 54.41 2d99 s ARG 82 Cb 0.13 -0.47 0.17 0.00 -1.56 0.00 0.00 34.95 33.22 2d99 s ARG 82 CO 0.47 0.08 1.16 -1.25 -0.81 0.00 0.00 175.30 174.95 2d99 s PRO 83 N -2.31 0.71 -0.18 5.12 0.04 -1.26 -5.08 135.00 132.03 2d99 s PRO 83 Ca -0.00 0.13 -0.35 0.00 0.04 0.00 0.00 61.00 60.81 2d99 s PRO 83 Cb -0.06 -1.80 0.15 0.00 0.04 0.00 0.00 34.50 32.83 2d99 s PRO 83 CO 0.00 -2.45 1.38 -1.54 0.04 0.00 0.00 177.00 174.43 2d99 s SER 84 N -4.15 -0.02 0.59 6.66 1.04 -1.26 -5.10 113.70 111.46 2d99 s SER 84 Ca 0.66 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 57.08 2d99 s SER 84 Cb -0.12 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.09 2d99 s SER 84 CO 0.54 -0.06 0.83 -0.94 0.98 0.00 0.00 173.24 174.58 2d99 s SER 85 N -2.48 5.07 0.00 7.02 1.04 -1.26 -5.03 113.70 118.06 2d99 s SER 85 Ca 0.13 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2d99 s SER 85 Cb 0.03 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.44 2d99 s SER 85 CO -0.04 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2d99 n GLY 86 N -2.47 -1.52 2.38 7.32 0.00 -1.26 -4.25 105.19 105.39 2d99 n GLY 86 Ca 0.09 0.87 -0.23 0.00 0.00 0.00 0.00 46.02 46.75 2d99 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d99 n PRO 87 N 0.00 2.41 -3.17 1.61 -0.04 -1.26 -4.69 135.00 129.86 2d99 n PRO 87 Ca 0.00 -1.48 -0.02 0.00 -0.04 0.00 0.00 63.50 61.96 2d99 n PRO 87 Cb 0.00 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2d99 n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d99 n SER 88 N 3.56 -6.63 -3.77 3.54 2.88 -1.26 -4.96 113.62 106.97 2d99 n SER 88 Ca 0.51 0.46 -0.30 0.00 -1.33 0.00 0.00 58.87 58.21 2d99 n SER 88 Cb 0.32 -1.93 -0.15 0.00 -0.75 0.00 0.00 64.21 61.70 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 -1.09 4.09 0.00 -3.46 0.15 -1.26 -5.20 113.70 106.92 2d99 s SER 89 Ca 0.03 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.01 2d99 s SER 89 Cb -0.00 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 2d99 s SER 89 CO 0.13 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.77