#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 -0.01 -0.12 1.61 0.15 -1.26 -5.01 113.70 109.06 2d99 s SER 2 Ca 0.00 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.57 2d99 s SER 2 Cb 0.00 0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.40 2d99 s SER 2 CO 0.00 -0.06 0.27 -0.55 1.20 0.00 0.00 173.24 174.09 2d99 s SER 3 N -3.06 0.06 0.00 5.45 0.15 -1.26 -5.06 113.70 109.99 2d99 s SER 3 Ca 0.16 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2d99 s SER 3 Cb 0.07 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2d99 s SER 3 CO -0.06 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2d99 n GLY 4 N 4.87 0.16 1.47 9.45 0.00 -1.26 -5.14 105.19 114.75 2d99 n GLY 4 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -7.84 -3.12 1.61 7.64 -1.26 -5.06 113.62 105.59 2d99 n SER 5 Ca 0.00 1.06 0.04 0.00 1.01 0.00 0.00 58.87 60.98 2d99 n SER 5 Cb 0.00 -3.75 -0.00 0.00 -1.01 0.00 0.00 64.21 59.45 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 -1.74 -0.86 0.00 6.43 0.01 -1.26 -5.06 113.70 111.21 2d99 s SER 6 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2d99 s SER 6 Cb 0.00 1.47 0.00 0.00 0.21 0.00 0.00 66.02 67.70 2d99 s SER 6 CO 0.00 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2d99 n GLY 7 N 5.03 4.82 0.38 3.44 0.00 -1.26 -4.77 105.19 112.83 2d99 n GLY 7 Ca 0.08 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.07 -1.40 0.99 3.38 -1.98 1.55 115.31 116.79 2d99 h LEU 8 Ca 0.00 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2d99 h LEU 8 Cb 0.00 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2d99 h LEU 8 CO 0.00 -0.45 -0.20 -0.09 0.09 0.00 0.00 178.44 177.78 2d99 h ARG 9 N -0.61 0.14 0.00 1.13 2.43 -1.94 -1.28 114.38 114.25 2d99 h ARG 9 Ca 0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2d99 h ARG 9 Cb 0.63 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2d99 h ARG 9 CO -0.21 0.35 -0.50 -0.22 -1.51 0.00 0.00 179.97 177.89 2d99 h LYS 10 N 0.13 0.00 0.14 0.20 1.63 -1.50 -0.26 116.57 116.92 2d99 h LYS 10 Ca 0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2d99 h LYS 10 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2d99 h LYS 10 CO 0.03 0.50 -0.07 0.52 -3.45 0.00 0.00 179.45 176.98 2d99 h MET 11 N 0.00 -0.18 -0.12 1.90 2.86 0.33 -3.16 114.93 116.55 2d99 h MET 11 Ca -0.00 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2d99 h MET 11 Cb 1.00 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 2d99 h MET 11 CO 0.06 0.26 -0.27 -0.24 1.06 0.00 0.00 176.91 177.78 2d99 h VAL 12 N -0.72 1.25 -0.68 -2.22 3.04 -1.41 -2.72 116.25 112.78 2d99 h VAL 12 Ca -0.02 -1.16 0.15 0.00 -1.01 0.00 0.00 66.70 64.66 2d99 h VAL 12 Cb 0.52 1.46 -0.11 0.00 -2.01 0.00 0.00 31.29 31.15 2d99 h VAL 12 CO 0.03 0.35 0.04 -0.33 -1.01 0.00 0.00 177.57 176.65 2d99 h GLU 13 N 0.20 0.14 -0.24 4.17 4.39 -1.03 0.52 114.58 122.74 2d99 h GLU 13 Ca 0.03 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.54 2d99 h GLU 13 Cb 0.60 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2d99 h GLU 13 CO 0.04 0.09 -0.58 1.05 -1.16 0.00 0.00 179.01 178.46 2d99 h GLU 14 N 0.15 0.82 0.00 2.33 4.11 -1.47 -2.96 114.58 117.55 2d99 h GLU 14 Ca 0.37 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2d99 h GLU 14 Cb 0.62 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2d99 h GLU 14 CO -0.56 1.18 0.00 0.28 0.07 0.00 0.00 179.01 179.98 2d99 n VAL 15 N -4.03 0.00 -0.32 -1.06 0.31 0.07 0.20 118.33 113.50 2d99 n VAL 15 Ca -0.05 1.32 0.18 0.00 -0.01 0.00 0.00 64.34 65.78 2d99 n VAL 15 Cb 0.64 -1.98 0.37 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.58 0.67 3.52 0.04 -1.38 0.58 116.94 120.94 2d99 h PHE 16 Ca 0.00 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2d99 h PHE 16 Cb 0.00 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 38.06 2d99 h PHE 16 CO -0.37 -0.22 -0.32 -0.44 -0.60 0.00 0.00 178.31 176.36 2d99 h ASP 17 N 0.24 -0.76 0.46 2.17 3.32 -0.99 0.25 116.42 121.11 2d99 h ASP 17 Ca 0.64 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.70 2d99 h ASP 17 Cb 1.39 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 41.11 2d99 h ASP 17 CO -0.66 -0.53 -0.47 0.58 -1.72 0.00 0.00 179.24 176.44 2d99 h VAL 18 N -0.92 0.00 -0.94 -1.35 2.07 0.51 0.14 116.25 115.76 2d99 h VAL 18 Ca -0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.59 2d99 h VAL 18 Cb 0.70 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.30 2d99 h VAL 18 CO 0.15 0.00 -0.32 -0.07 0.02 0.00 0.00 177.57 177.35 2d99 h LEU 19 N -0.94 -1.18 0.58 2.57 3.38 0.03 0.93 115.31 120.68 2d99 h LEU 19 Ca -0.06 0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2d99 h LEU 19 Cb 0.82 0.67 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2d99 h LEU 19 CO -0.06 -0.30 -0.47 0.22 0.09 0.00 0.00 178.44 177.91 2d99 h TYR 20 N -0.02 -1.30 -0.95 1.13 3.20 -0.35 0.15 116.97 118.84 2d99 h TYR 20 Ca 0.38 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.47 2d99 h TYR 20 Cb 0.63 0.49 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 2d99 h TYR 20 CO -0.79 -0.66 0.62 1.03 -1.64 0.00 0.00 178.16 176.72 2d99 h SER 21 N -1.02 0.43 0.09 -2.11 0.87 0.14 0.60 113.55 112.54 2d99 h SER 21 Ca -0.08 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2d99 h SER 21 Cb 0.86 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2d99 h SER 21 CO 0.00 0.15 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.07 2d99 h GLU 22 N 0.41 -0.12 -0.13 2.24 4.39 0.16 1.09 114.58 122.63 2d99 h GLU 22 Ca 0.51 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.17 2d99 h GLU 22 Cb 1.27 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2d99 h GLU 22 CO -0.21 0.15 -0.14 0.00 -1.16 0.00 0.00 179.01 177.65 2d99 h ALA 23 N 0.49 1.52 0.01 3.43 0.00 0.13 -1.67 119.26 123.18 2d99 h ALA 23 Ca -0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 2d99 h ALA 23 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2d99 h ALA 23 CO 0.02 0.34 -0.92 -0.07 0.00 0.00 0.00 179.25 178.63 2d99 h LEU 24 N 0.19 0.16 -2.31 0.00 3.38 0.38 -3.48 115.31 113.64 2d99 h LEU 24 Ca 0.04 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 2d99 h LEU 24 Cb 0.38 -0.05 0.09 0.00 0.09 0.00 0.00 40.66 41.17 2d99 h LEU 24 CO 0.02 0.99 -0.41 0.61 0.09 0.00 0.00 178.44 179.75 2d99 n GLY 25 N 1.01 -0.05 3.88 0.83 0.00 0.37 -5.05 105.19 106.18 2d99 n GLY 25 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.15 2.54 -0.22 1.61 1.81 -0.90 -5.01 118.95 114.63 2d99 s ARG 26 Ca 0.12 -1.52 0.12 0.00 -1.72 0.00 0.00 55.73 52.73 2d99 s ARG 26 Cb -0.02 -2.39 0.72 0.00 -0.45 0.00 0.00 34.95 32.82 2d99 s ARG 26 CO 0.37 -0.19 1.61 0.00 -0.68 0.00 0.00 175.30 176.40 2d99 n ALA 27 N -1.55 3.78 -3.25 2.13 0.00 -1.26 -4.91 120.51 115.45 2d99 n ALA 27 Ca 0.04 -1.71 -0.11 0.00 0.00 0.00 0.00 53.44 51.65 2d99 n ALA 27 Cb 0.62 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.69 -0.40 -0.52 0.00 0.01 -1.26 -4.90 113.70 105.93 2d99 s SER 28 Ca 0.48 -0.18 -0.22 0.00 1.31 0.00 0.00 55.95 57.35 2d99 s SER 28 Cb 0.37 0.55 0.05 0.00 0.21 0.00 0.00 66.02 67.19 2d99 s SER 28 CO 0.14 -0.94 0.79 -0.69 0.41 0.00 0.00 173.24 172.95 2d99 s VAL 29 N -3.78 4.63 0.33 3.43 1.01 -1.26 -4.81 120.40 119.94 2d99 s VAL 29 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2d99 s VAL 29 Cb 0.00 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2d99 s VAL 29 CO -0.11 -0.93 0.59 0.68 0.00 0.00 0.00 175.10 175.33 2d99 s VAL 30 N 3.31 5.01 0.97 2.92 -7.23 -1.26 -5.04 120.40 119.09 2d99 s VAL 30 Ca 0.24 -0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.26 2d99 s VAL 30 Cb -0.15 -3.78 0.18 0.00 0.56 0.00 0.00 36.38 33.19 2d99 s VAL 30 CO 0.17 -0.45 1.17 -2.16 -0.31 0.00 0.00 175.10 173.52 2d99 s PRO 31 N -3.87 0.63 -0.37 4.82 0.04 -1.26 -4.63 135.00 130.36 2d99 s PRO 31 Ca 0.44 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.62 2d99 s PRO 31 Cb -0.10 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2d99 s PRO 31 CO 0.33 -2.50 0.08 -1.17 0.04 0.00 0.00 177.00 173.78 2d99 s LEU 32 N -6.17 4.68 -1.19 -3.56 2.96 -1.26 -4.97 118.68 109.17 2d99 s LEU 32 Ca 0.67 -2.28 -0.21 0.00 -0.22 0.00 0.00 54.13 52.09 2d99 s LEU 32 Cb -0.12 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 2d99 s LEU 32 CO 0.54 -0.36 1.81 -2.16 -1.32 0.00 0.00 176.35 174.85 2d99 s PRO 33 N 0.74 3.22 0.13 0.98 0.04 -1.26 -4.79 135.00 134.06 2d99 s PRO 33 Ca 0.12 -1.41 -0.20 0.00 0.04 0.00 0.00 61.00 59.54 2d99 s PRO 33 Cb -0.20 -5.36 -0.02 0.00 0.04 0.00 0.00 34.50 28.96 2d99 s PRO 33 CO -0.07 -3.05 1.69 1.88 0.04 0.00 0.00 177.00 177.50 2d99 h TYR 34 N 9.02 -0.17 -1.85 0.56 0.05 -1.96 0.80 116.97 123.42 2d99 h TYR 34 Ca 0.30 0.02 0.54 0.00 0.05 0.00 0.00 58.73 59.63 2d99 h TYR 34 Cb 0.92 0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.70 2d99 h TYR 34 CO 1.31 -0.12 1.39 -0.85 -1.05 0.00 0.00 178.16 178.83 2d99 n GLU 35 N -5.23 0.00 -0.03 4.88 0.28 -1.26 0.23 120.64 119.51 2d99 n GLU 35 Ca -0.02 1.06 -0.03 0.00 -0.16 0.00 0.00 57.16 58.01 2d99 n GLU 35 Cb 0.15 -2.48 -0.01 0.00 1.43 0.00 0.00 31.44 30.53 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 -3.81 0.19 -0.46 3.44 1.74 -0.26 -3.91 116.66 113.60 2d99 n ARG 36 Ca 0.42 0.16 0.39 0.00 -0.77 0.00 0.00 57.85 58.05 2d99 n ARG 36 Cb 1.94 -0.92 0.72 0.00 -1.02 0.00 0.00 32.46 33.17 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 -0.37 0.12 -0.37 0.55 3.38 -0.04 1.57 115.31 120.15 2d99 h LEU 37 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2d99 h LEU 37 Cb 0.31 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2d99 h LEU 37 CO 0.00 -0.03 0.12 -0.07 0.09 0.00 0.00 178.44 178.54 2d99 h LEU 38 N 0.07 0.53 -0.34 1.67 3.38 0.27 -2.90 115.31 117.99 2d99 h LEU 38 Ca 0.73 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.52 2d99 h LEU 38 Cb 2.65 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 43.23 2d99 h LEU 38 CO -0.14 0.59 0.19 -0.09 0.09 0.00 0.00 178.44 179.08 2d99 h ARG 39 N 0.44 0.38 -4.42 1.13 2.43 0.21 -3.37 114.38 111.19 2d99 h ARG 39 Ca 0.12 -0.02 -0.72 0.00 -0.81 0.00 0.00 59.98 58.54 2d99 h ARG 39 Cb 0.25 -0.09 -0.25 0.00 -0.42 0.00 0.00 29.97 29.47 2d99 h ARG 39 CO -0.00 0.25 -0.42 -1.21 -1.51 0.00 0.00 179.97 177.08 2d99 s GLU 40 N -6.16 2.82 0.22 0.20 2.02 -0.74 -4.92 118.70 112.13 2d99 s GLU 40 Ca -0.13 -1.32 0.09 0.00 0.02 0.00 0.00 54.97 53.63 2d99 s GLU 40 Cb 0.11 -3.93 0.16 0.00 0.10 0.00 0.00 34.13 30.57 2d99 s GLU 40 CO 0.71 -0.93 1.50 -1.00 0.02 0.00 0.00 175.26 175.56 2d99 h PRO 41 N 8.57 0.00 0.00 0.39 0.13 -1.73 -3.26 132.00 136.10 2d99 h PRO 41 Ca -0.26 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 2d99 h PRO 41 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2d99 h PRO 41 CO 0.79 0.75 -0.65 0.78 -0.23 0.00 0.00 178.00 179.44 2d99 h GLY 42 N 2.25 0.48 -0.68 1.56 0.00 -1.91 -3.01 103.07 101.75 2d99 h GLY 42 Ca -0.01 -0.85 0.31 0.00 0.00 0.00 0.00 47.33 46.78 2d99 h GLY 42 CO 0.10 0.75 0.38 -2.00 0.00 0.00 0.00 176.54 175.77 2d99 h LEU 43 N -0.07 0.16 -6.28 3.11 5.85 -1.90 -3.27 115.31 112.91 2d99 h LEU 43 Ca -0.08 0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2d99 h LEU 43 Cb 1.36 0.26 -0.21 0.00 0.37 0.00 0.00 40.66 42.44 2d99 h LEU 43 CO 0.13 -0.25 -0.20 -0.22 -0.34 0.00 0.00 178.44 177.56 2d99 s LEU 44 N -10.61 -1.26 -0.19 2.25 2.96 -1.22 -1.88 118.68 108.72 2d99 s LEU 44 Ca -0.11 1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.77 2d99 s LEU 44 Cb 0.30 2.16 -0.04 0.00 0.50 0.00 0.00 46.19 49.11 2d99 s LEU 44 CO 0.78 -0.24 0.05 0.00 -1.32 0.00 0.00 176.35 175.63 2d99 s ALA 45 N 2.86 3.30 -0.22 5.97 0.00 -0.09 -4.70 121.76 128.90 2d99 s ALA 45 Ca 0.12 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 2d99 s ALA 45 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 2d99 s ALA 45 CO -0.20 0.04 0.72 0.08 0.00 0.00 0.00 175.76 176.40 2d99 s VAL 46 N 0.64 4.94 0.36 0.00 1.01 -1.26 -1.75 120.40 124.33 2d99 s VAL 46 Ca 0.03 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.45 2d99 s VAL 46 Cb -0.13 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 2d99 s VAL 46 CO 0.02 0.03 -0.07 -1.10 0.00 0.00 0.00 175.10 173.98 2d99 s GLN 47 N 2.31 1.86 -0.92 2.72 -1.52 0.55 -4.71 119.66 119.96 2d99 s GLN 47 Ca 0.31 -1.96 0.00 0.00 -1.95 0.00 0.00 55.36 51.77 2d99 s GLN 47 Cb -0.16 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 2d99 s GLN 47 CO 0.10 0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.65 2d99 n GLY 48 N -0.84 -0.03 3.59 3.09 0.00 -1.26 0.19 105.19 109.93 2d99 n GLY 48 Ca -0.05 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.04 1.56 0.00 0.99 1.43 -1.26 -0.26 118.68 118.09 2d99 s LEU 49 Ca 0.00 1.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 2d99 s LEU 49 Cb 0.00 -3.72 0.41 0.00 0.03 0.00 0.00 46.19 42.91 2d99 s LEU 49 CO 0.00 -3.59 1.05 -0.81 0.23 0.00 0.00 176.35 173.23 2d99 n PRO 50 N -4.52 0.75 -1.60 1.29 -0.04 -1.26 -4.83 135.00 124.79 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 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.64 -4.39 -2.20 0.54 1.02 -1.26 -4.81 120.64 108.90 2d99 n GLU 51 Ca 0.05 3.34 -0.11 0.00 -0.02 0.00 0.00 57.16 60.43 2d99 n GLU 51 Cb 0.02 -3.98 -0.01 0.00 -0.02 0.00 0.00 31.44 27.46 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 -1.84 -0.06 0.71 0.62 0.00 -1.26 -4.99 105.19 98.36 2d99 n GLY 52 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.51 0.00 -3.77 0.99 4.77 -1.26 -5.14 117.00 111.07 2d99 n LEU 53 Ca -0.13 -0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 55.04 2d99 n LEU 53 Cb 0.59 0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.96 2d99 n LEU 53 CO 0.15 -0.12 -0.17 0.00 -1.33 0.00 0.00 177.39 175.91 2d99 s ALA 54 N -2.21 -0.42 -0.25 -1.18 0.00 -1.26 -5.07 121.76 111.37 2d99 s ALA 54 Ca 0.08 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.43 2d99 s ALA 54 Cb 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 2d99 s ALA 54 CO 0.06 -0.13 2.24 0.34 0.00 0.00 0.00 175.76 178.27 2d99 n PHE 55 N 3.63 1.89 -3.77 0.00 7.35 -1.26 -4.88 117.46 120.42 2d99 n PHE 55 Ca -0.20 -0.08 -0.05 0.00 -0.76 0.00 0.00 57.45 56.37 2d99 n PHE 55 Cb 0.55 -2.71 -0.02 0.00 0.35 0.00 0.00 39.48 37.66 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 6.53 1.37 0.41 -4.13 1.70 -1.26 -5.00 118.95 118.56 2d99 s ARG 56 Ca 1.02 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 55.34 2d99 s ARG 56 Cb -0.36 0.47 -0.15 0.00 -0.57 0.00 0.00 34.95 34.35 2d99 s ARG 56 CO 0.35 -0.63 0.03 0.54 -1.08 0.00 0.00 175.30 174.52 2d99 n ARG 57 N -0.46 0.00 0.13 3.89 5.12 -1.26 -4.80 116.66 119.29 2d99 n ARG 57 Ca -0.06 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.99 2d99 n ARG 57 Cb 0.60 -0.95 0.45 0.00 -1.16 0.00 0.00 32.46 31.40 2d99 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2d99 h PRO 58 N 0.23 0.00 0.00 5.56 0.13 -1.96 -2.71 132.00 133.26 2d99 h PRO 58 Ca -0.36 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.62 2d99 h PRO 58 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 2d99 h PRO 58 CO 0.43 0.00 -1.05 0.00 -0.23 0.00 0.00 178.00 177.15 2d99 h ALA 59 N 2.35 0.63 0.00 -0.56 0.00 -1.90 -3.26 119.26 116.53 2d99 h ALA 59 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 2d99 h ALA 59 Cb 0.57 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2d99 h ALA 59 CO 0.00 0.88 -0.28 0.93 0.00 0.00 0.00 179.25 180.78 2d99 h GLU 60 N 0.00 0.00 -7.30 0.00 5.08 -1.82 -3.46 114.58 107.08 2d99 h GLU 60 Ca -0.10 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.79 2d99 h GLU 60 Cb 1.55 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.97 2d99 h GLU 60 CO 0.06 0.28 0.21 0.71 -1.00 0.00 0.00 179.01 179.27 2d99 s TYR 61 N -3.10 2.09 0.81 4.33 2.02 -1.11 -5.04 117.35 117.35 2d99 s TYR 61 Ca 0.05 1.28 -0.11 0.00 -0.37 0.00 0.00 57.07 57.92 2d99 s TYR 61 Cb 0.07 -3.18 0.18 0.00 -0.40 0.00 0.00 41.96 38.63 2d99 s TYR 61 CO 0.71 -2.70 1.11 -0.25 -1.57 0.00 0.00 175.55 172.85 2d99 n ASP 62 N -4.10 0.42 -0.04 2.29 8.00 -1.26 -4.92 116.55 116.94 2d99 n ASP 62 Ca 0.07 -1.61 -0.13 0.00 0.71 0.00 0.00 54.79 53.83 2d99 n ASP 62 Cb 0.55 -0.82 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 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 -0.00 0.00 -0.24 0.13 -1.97 -2.75 132.00 127.17 2d99 h PRO 63 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2d99 h PRO 63 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2d99 h PRO 63 CO 0.29 0.75 -0.07 0.87 -0.23 0.00 0.00 178.00 179.60 2d99 h LYS 64 N -0.75 0.00 0.52 0.86 6.56 -1.99 -2.95 116.57 118.81 2d99 h LYS 64 Ca -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2d99 h LYS 64 Cb 0.75 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.42 2d99 h LYS 64 CO 0.00 0.07 -0.25 0.00 -2.06 0.00 0.00 179.45 177.21 2d99 h ALA 65 N 1.93 -0.70 -0.88 3.86 0.00 -1.93 -0.60 119.26 120.94 2d99 h ALA 65 Ca -0.00 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.93 2d99 h ALA 65 Cb 0.48 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 2d99 h ALA 65 CO 0.01 -0.71 0.37 -0.07 0.00 0.00 0.00 179.25 178.85 2d99 h LEU 66 N -1.06 0.29 -1.20 0.00 3.38 -1.36 1.15 115.31 116.52 2d99 h LEU 66 Ca -0.07 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 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 0.12 -0.00 -0.14 0.24 0.09 0.00 0.00 178.44 178.74 2d99 h MET 67 N 0.39 0.38 0.00 1.13 2.86 -1.43 0.00 114.93 118.26 2d99 h MET 67 Ca 0.54 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.93 2d99 h MET 67 Cb 1.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 2d99 h MET 67 CO -0.52 0.53 -0.72 0.00 1.06 0.00 0.00 176.91 177.25 2d99 h ALA 68 N 1.50 0.58 -0.15 6.32 0.00 0.23 -1.79 119.26 125.96 2d99 h ALA 68 Ca 0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2d99 h ALA 68 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2d99 h ALA 68 CO 0.03 0.89 -0.36 0.82 0.00 0.00 0.00 179.25 180.64 2d99 h ILE 69 N 0.00 1.35 0.00 0.00 2.04 0.16 0.75 117.51 121.82 2d99 h ILE 69 Ca -0.01 -1.62 -0.10 0.00 1.00 0.00 0.00 64.86 64.13 2d99 h ILE 69 Cb 1.49 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 2d99 h ILE 69 CO 0.09 0.49 -0.48 -0.07 0.00 0.00 0.00 178.15 178.18 2d99 h LEU 70 N 0.14 0.00 0.19 1.44 3.38 -1.04 1.70 115.31 121.12 2d99 h LEU 70 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2d99 h LEU 70 Cb 0.96 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.74 2d99 h LEU 70 CO 0.08 0.48 -1.19 -0.33 0.09 0.00 0.00 178.44 177.57 2d99 h GLU 71 N 0.00 0.46 0.00 1.13 5.08 -1.19 -3.26 114.58 116.80 2d99 h GLU 71 Ca -0.00 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 2d99 h GLU 71 Cb 0.88 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2d99 h GLU 71 CO 0.06 1.36 -0.34 0.72 -1.00 0.00 0.00 179.01 179.81 2d99 n HIS 72 N -3.89 0.15 -0.37 4.33 8.25 0.26 -3.89 115.22 120.05 2d99 n HIS 72 Ca -0.15 0.04 0.29 0.00 -0.26 0.00 0.00 57.72 57.64 2d99 n HIS 72 Cb 0.98 -0.44 0.58 0.00 1.12 0.00 0.00 29.99 32.23 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 0.35 -0.15 0.41 4.64 0.25 1.61 113.55 120.66 2d99 h SER 73 Ca 0.00 0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2d99 h SER 73 Cb 0.56 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2d99 h SER 73 CO 0.00 -0.03 0.48 1.12 -0.87 0.00 0.00 176.83 177.53 2d99 h HIS 74 N 0.25 0.00 0.00 4.77 2.07 -1.77 0.33 115.15 120.80 2d99 h HIS 74 Ca 0.69 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.91 2d99 h HIS 74 Cb 1.98 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.91 2d99 h HIS 74 CO -0.00 0.00 -2.13 0.54 -3.07 0.00 0.00 177.93 173.26 2d99 n ARG 75 N -3.06 0.65 -1.71 5.12 1.74 0.54 -4.98 116.66 114.96 2d99 n ARG 75 Ca 0.02 0.10 -0.66 0.00 -0.77 0.00 0.00 57.85 56.53 2d99 n ARG 75 Cb 0.57 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 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 -3.01 0.01 -3.77 0.55 5.41 0.64 -4.15 119.36 115.03 2d99 n ILE 76 Ca -0.34 -0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.27 2d99 n ILE 76 Cb 0.90 -0.43 -0.15 0.00 -0.71 0.00 0.00 39.64 39.24 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 2.51 0.00 0.18 0.38 0.52 0.51 -4.89 118.95 118.17 2d99 s ARG 77 Ca 1.03 0.22 -0.19 0.00 -0.52 0.00 0.00 55.73 56.27 2d99 s ARG 77 Cb -1.45 -0.20 -0.08 0.00 0.52 0.00 0.00 34.95 33.74 2d99 s ARG 77 CO 0.78 -0.15 0.68 -0.06 0.02 0.00 0.00 175.30 176.56 2d99 s PHE 78 N 1.00 3.69 -0.13 -0.53 0.40 -1.26 -0.33 117.98 120.81 2d99 s PHE 78 Ca -0.08 1.35 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 2d99 s PHE 78 Cb -0.11 -2.58 0.04 0.00 0.51 0.00 0.00 43.02 40.87 2d99 s PHE 78 CO -0.03 0.40 -0.03 0.15 0.70 0.00 0.00 175.22 176.41 2d99 s LYS 79 N -1.77 1.17 0.28 0.44 -0.14 -0.72 -4.93 119.74 114.08 2d99 s LYS 79 Ca 0.39 -0.29 -0.07 0.00 -1.36 0.00 0.00 55.97 54.65 2d99 s LYS 79 Cb -0.17 -1.67 -0.06 0.00 -1.68 0.00 0.00 37.83 34.24 2d99 s LYS 79 CO 0.21 -0.39 0.57 -0.51 -0.76 0.00 0.00 175.35 174.48 2d99 s LEU 80 N 1.76 4.06 0.34 3.17 1.43 -1.26 -0.91 118.68 127.27 2d99 s LEU 80 Ca 0.03 0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 53.66 2d99 s LEU 80 Cb -0.14 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 2d99 s LEU 80 CO -0.07 -0.18 1.08 2.29 0.23 0.00 0.00 176.35 179.70 2d99 n LYS 81 N -0.77 1.56 -4.25 1.70 2.85 -0.79 -4.94 118.16 113.53 2d99 n LYS 81 Ca -0.01 0.55 -0.20 0.00 -1.05 0.00 0.00 58.31 57.60 2d99 n LYS 81 Cb 0.53 -2.02 -0.16 0.00 -0.65 0.00 0.00 35.03 32.73 2d99 n LYS 81 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2d99 s ARG 82 N -1.76 0.89 -0.07 -1.58 0.52 -1.26 -5.03 118.95 110.66 2d99 s ARG 82 Ca 0.59 -0.18 -0.26 0.00 -0.52 0.00 0.00 55.73 55.36 2d99 s ARG 82 Cb -0.63 -0.85 -0.23 0.00 0.52 0.00 0.00 34.95 33.76 2d99 s ARG 82 CO 0.60 -0.02 1.03 -1.00 0.02 0.00 0.00 175.30 175.93 2d99 h PRO 83 N 6.90 0.06 0.00 3.54 0.13 -1.96 -3.46 132.00 137.20 2d99 h PRO 83 Ca -0.36 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2d99 h PRO 83 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2d99 h PRO 83 CO 0.48 0.79 0.00 0.43 -0.23 0.00 0.00 178.00 179.47 2d99 n SER 84 N -4.67 -0.78 0.04 1.44 7.64 -1.26 -5.04 113.62 110.98 2d99 n SER 84 Ca -0.09 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2d99 n SER 84 Cb 0.40 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 2d99 n SER 84 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d99 n SER 85 N -3.00 0.65 -3.15 6.43 2.88 -1.26 -5.09 113.62 111.07 2d99 n SER 85 Ca 0.00 0.11 -0.17 0.00 -1.33 0.00 0.00 58.87 57.48 2d99 n SER 85 Cb 0.00 -0.18 0.02 0.00 -0.75 0.00 0.00 64.21 63.30 2d99 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d99 n GLY 86 N 3.34 -0.93 3.77 0.46 0.00 -1.26 -4.97 105.19 105.60 2d99 n GLY 86 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.07 -0.45 -0.30 1.61 0.04 -1.26 -5.04 135.00 127.53 2d99 s PRO 87 Ca 0.21 -0.32 -0.20 0.00 0.04 0.00 0.00 61.00 60.74 2d99 s PRO 87 Cb -0.03 -1.71 0.20 0.00 0.04 0.00 0.00 34.50 32.99 2d99 s PRO 87 CO 0.66 -3.16 1.32 0.45 0.04 0.00 0.00 177.00 176.31 2d99 s SER 88 N -4.47 -0.02 0.16 6.66 0.15 -1.26 -5.17 113.70 109.75 2d99 s SER 88 Ca 0.74 0.03 0.06 0.00 0.70 0.00 0.00 55.95 57.48 2d99 s SER 88 Cb -0.05 1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 65.24 2d99 s SER 88 CO 0.55 -0.00 0.03 -0.94 1.20 0.00 0.00 173.24 174.07 2d99 s SER 89 N 2.03 4.96 0.00 5.45 1.04 -1.26 -5.17 113.70 120.75 2d99 s SER 89 Ca 0.01 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2d99 s SER 89 Cb -0.00 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.99 2d99 s SER 89 CO -0.16 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.77