#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 5.62 -0.22 1.61 0.01 -1.26 -5.05 113.70 114.40 2d99 s SER 2 Ca 0.00 -1.51 -0.02 0.00 1.31 0.00 0.00 55.95 55.73 2d99 s SER 2 Cb 0.00 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.26 2d99 s SER 2 CO 0.00 -0.53 -0.07 -0.44 0.41 0.00 0.00 173.24 172.60 2d99 s SER 3 N 2.09 4.09 0.00 2.44 0.01 -1.26 -4.82 113.70 116.25 2d99 s SER 3 Ca 0.03 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2d99 s SER 3 Cb -0.23 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.33 2d99 s SER 3 CO 0.02 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2d99 n GLY 4 N 4.73 0.13 3.20 3.44 0.00 -1.26 -5.15 105.19 110.29 2d99 n GLY 4 Ca -0.18 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 2d99 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d99 s SER 5 N -0.14 -0.05 0.00 1.61 1.04 -1.26 -5.17 113.70 109.73 2d99 s SER 5 Ca 0.00 -0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.12 2d99 s SER 5 Cb 0.00 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.43 2d99 s SER 5 CO 0.00 -0.52 0.21 -0.94 0.98 0.00 0.00 173.24 172.97 2d99 s SER 6 N -1.80 -0.05 0.00 7.02 1.04 -1.26 -5.06 113.70 113.58 2d99 s SER 6 Ca -0.08 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2d99 s SER 6 Cb -0.03 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2d99 s SER 6 CO -0.01 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2d99 n GLY 7 N 1.25 4.31 0.37 7.32 0.00 -1.26 -4.82 105.19 112.35 2d99 n GLY 7 Ca -0.22 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.95 -2.09 0.99 3.38 -1.99 1.54 115.31 116.19 2d99 h LEU 8 Ca 0.00 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2d99 h LEU 8 Cb 0.00 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2d99 h LEU 8 CO 0.00 -0.52 0.10 -0.09 0.09 0.00 0.00 178.44 178.02 2d99 h ARG 9 N -0.81 0.00 -0.02 1.13 2.43 -1.95 0.12 114.38 115.28 2d99 h ARG 9 Ca -0.06 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 2d99 h ARG 9 Cb 0.67 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2d99 h ARG 9 CO 0.02 0.00 -0.81 -0.22 -1.51 0.00 0.00 179.97 177.45 2d99 h LYS 10 N 0.00 0.25 0.60 0.20 1.63 -1.67 -1.56 116.57 116.03 2d99 h LYS 10 Ca 0.06 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 2d99 h LYS 10 Cb 0.25 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2d99 h LYS 10 CO -0.00 0.94 -0.29 0.52 -3.45 0.00 0.00 179.45 177.16 2d99 h MET 11 N 0.15 -0.78 -0.59 1.90 2.86 0.48 -3.03 114.93 115.92 2d99 h MET 11 Ca -0.04 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2d99 h MET 11 Cb 1.41 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 33.22 2d99 h MET 11 CO 0.13 -0.47 0.34 -0.24 1.06 0.00 0.00 176.91 177.72 2d99 h VAL 12 N -1.04 1.17 -0.85 -2.22 3.04 -1.44 -2.24 116.25 112.67 2d99 h VAL 12 Ca -0.08 -0.42 0.21 0.00 -1.01 0.00 0.00 66.70 65.40 2d99 h VAL 12 Cb 0.68 0.37 -0.15 0.00 -2.01 0.00 0.00 31.29 30.17 2d99 h VAL 12 CO 0.14 0.19 0.01 -0.33 -1.01 0.00 0.00 177.57 176.57 2d99 h GLU 13 N 0.81 0.08 -0.10 4.17 4.39 -1.17 0.35 114.58 123.12 2d99 h GLU 13 Ca 0.21 -0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.67 2d99 h GLU 13 Cb -0.00 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2d99 h GLU 13 CO -0.04 0.05 -0.87 1.05 -1.16 0.00 0.00 179.01 178.04 2d99 h GLU 14 N 0.08 0.76 -0.07 2.33 4.11 -1.33 -3.04 114.58 117.42 2d99 h GLU 14 Ca 0.48 -0.69 0.01 0.00 0.07 0.00 0.00 59.36 59.23 2d99 h GLU 14 Cb 0.89 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2d99 h GLU 14 CO -0.76 1.28 -0.14 0.28 0.07 0.00 0.00 179.01 179.74 2d99 h VAL 15 N 0.47 0.00 -0.89 -1.06 2.07 0.07 1.65 116.25 118.56 2d99 h VAL 15 Ca -0.08 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.69 2d99 h VAL 15 Cb 1.51 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2d99 h VAL 15 CO 0.18 0.00 0.64 -0.26 0.02 0.00 0.00 177.57 178.15 2d99 h PHE 16 N -0.13 0.03 0.21 1.57 0.04 -1.16 0.19 116.94 117.69 2d99 h PHE 16 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2d99 h PHE 16 Cb 0.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2d99 h PHE 16 CO -0.56 0.01 -0.10 -0.44 -0.60 0.00 0.00 178.31 176.62 2d99 h ASP 17 N 0.02 -0.24 0.33 2.17 5.19 -0.42 -1.64 116.42 121.84 2d99 h ASP 17 Ca 0.43 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 2d99 h ASP 17 Cb 1.68 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 41.23 2d99 h ASP 17 CO -0.01 0.27 -0.39 0.58 -3.12 0.00 0.00 179.24 176.57 2d99 h VAL 18 N -0.88 0.00 -0.65 -1.35 2.07 0.39 0.19 116.25 116.03 2d99 h VAL 18 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2d99 h VAL 18 Cb 0.51 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.17 2d99 h VAL 18 CO 0.05 0.00 -0.44 -0.07 0.02 0.00 0.00 177.57 177.12 2d99 h LEU 19 N -0.74 -1.55 -0.19 2.57 3.38 -0.84 0.89 115.31 118.85 2d99 h LEU 19 Ca -0.04 0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.23 2d99 h LEU 19 Cb 0.65 0.71 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 2d99 h LEU 19 CO -0.08 -0.32 -0.49 0.22 0.09 0.00 0.00 178.44 177.86 2d99 h TYR 20 N -0.19 -1.43 -0.55 1.13 3.20 -0.93 0.49 116.97 118.68 2d99 h TYR 20 Ca 0.19 0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.20 2d99 h TYR 20 Cb 0.55 0.65 -0.06 0.00 1.54 0.00 0.00 36.73 39.41 2d99 h TYR 20 CO -0.75 -0.51 0.20 1.03 -1.64 0.00 0.00 178.16 176.49 2d99 h SER 21 N -0.51 0.19 -0.73 -2.11 0.87 0.94 0.12 113.55 112.32 2d99 h SER 21 Ca 0.06 0.07 0.15 0.00 -1.23 0.00 0.00 61.79 60.84 2d99 h SER 21 Cb 0.65 0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 62.56 2d99 h SER 21 CO -0.45 0.13 0.24 -0.33 -0.53 0.00 0.00 176.83 175.88 2d99 h GLU 22 N 0.38 0.34 0.00 2.24 5.08 0.21 1.35 114.58 124.17 2d99 h GLU 22 Ca 0.27 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 2d99 h GLU 22 Cb 0.30 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2d99 h GLU 22 CO -0.27 0.22 -0.51 0.00 -1.00 0.00 0.00 179.01 177.45 2d99 h ALA 23 N 1.57 1.08 0.00 3.43 0.00 0.41 -2.44 119.26 123.30 2d99 h ALA 23 Ca 0.41 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2d99 h ALA 23 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2d99 h ALA 23 CO -0.45 0.64 -0.43 -0.07 0.00 0.00 0.00 179.25 178.94 2d99 h LEU 24 N 0.00 0.00 -1.97 0.00 3.38 0.26 -3.46 115.31 113.52 2d99 h LEU 24 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2d99 h LEU 24 Cb 0.95 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.80 2d99 h LEU 24 CO 0.07 0.43 -0.45 0.61 0.09 0.00 0.00 178.44 179.18 2d99 n GLY 25 N 0.77 -0.07 3.92 0.83 0.00 0.41 -5.04 105.19 106.01 2d99 n GLY 25 Ca 0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.59 2.79 -0.13 1.61 1.81 -1.16 -5.01 118.95 114.27 2d99 s ARG 26 Ca 0.05 -1.28 0.15 0.00 -1.72 0.00 0.00 55.73 52.94 2d99 s ARG 26 Cb -0.01 -2.58 0.67 0.00 -0.45 0.00 0.00 34.95 32.58 2d99 s ARG 26 CO 0.42 -0.05 1.55 0.00 -0.68 0.00 0.00 175.30 176.55 2d99 n ALA 27 N -1.56 3.23 -3.24 2.13 0.00 -1.26 -4.90 120.51 114.90 2d99 n ALA 27 Ca 0.02 -1.48 -0.10 0.00 0.00 0.00 0.00 53.44 51.88 2d99 n ALA 27 Cb 0.60 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.80 0.10 -0.45 0.00 0.15 -1.26 -5.12 113.70 106.31 2d99 s SER 28 Ca 0.46 -1.03 -0.15 0.00 0.70 0.00 0.00 55.95 55.92 2d99 s SER 28 Cb 0.31 0.64 0.05 0.00 -1.71 0.00 0.00 66.02 65.32 2d99 s SER 28 CO 0.20 -1.25 0.37 -0.69 1.20 0.00 0.00 173.24 173.07 2d99 s VAL 29 N -3.64 5.23 0.29 4.45 1.01 -1.26 -4.87 120.40 121.60 2d99 s VAL 29 Ca 0.22 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2d99 s VAL 29 Cb -0.02 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2d99 s VAL 29 CO 0.11 -0.49 0.52 0.68 0.00 0.00 0.00 175.10 175.93 2d99 s VAL 30 N 1.68 5.08 0.86 2.92 -7.23 -1.26 -5.03 120.40 117.42 2d99 s VAL 30 Ca 0.05 -0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 59.96 2d99 s VAL 30 Cb -0.22 -3.76 0.11 0.00 0.56 0.00 0.00 36.38 33.06 2d99 s VAL 30 CO 0.08 -0.35 1.12 -2.16 -0.31 0.00 0.00 175.10 173.48 2d99 s PRO 31 N -3.68 1.59 -0.40 4.82 0.04 -1.26 -4.63 135.00 131.48 2d99 s PRO 31 Ca 0.42 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 2d99 s PRO 31 Cb -0.11 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2d99 s PRO 31 CO 0.31 -1.92 0.18 -1.17 0.04 0.00 0.00 177.00 174.45 2d99 s LEU 32 N -5.91 5.17 -1.15 -3.56 2.96 -1.26 -4.98 118.68 109.95 2d99 s LEU 32 Ca 0.62 -2.02 -0.19 0.00 -0.22 0.00 0.00 54.13 52.32 2d99 s LEU 32 Cb -0.15 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2d99 s LEU 32 CO 0.54 -0.52 1.97 -0.81 -1.32 0.00 0.00 176.35 176.21 2d99 n PRO 33 N 4.56 2.24 -0.15 0.98 -0.04 -1.26 -4.76 135.00 136.57 2d99 n PRO 33 Ca -0.02 -2.47 -0.05 0.00 -0.04 0.00 0.00 63.50 60.92 2d99 n PRO 33 Cb 0.41 -3.30 0.02 0.00 -0.04 0.00 0.00 33.50 30.59 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 7.67 -0.59 -1.83 0.54 0.05 -1.96 0.35 116.97 121.20 2d99 h TYR 34 Ca 0.43 0.05 0.54 0.00 0.05 0.00 0.00 58.73 59.80 2d99 h TYR 34 Cb 0.76 0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.75 2d99 h TYR 34 CO 1.33 -0.31 1.31 -0.85 -1.05 0.00 0.00 178.16 178.59 2d99 n GLU 35 N -5.41 -0.00 -0.01 4.88 0.28 -1.26 0.20 120.64 119.32 2d99 n GLU 35 Ca 0.04 1.03 -0.01 0.00 -0.16 0.00 0.00 57.16 58.06 2d99 n GLU 35 Cb 0.32 -2.36 -0.00 0.00 1.43 0.00 0.00 31.44 30.82 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 -3.87 0.06 -0.58 3.44 5.12 0.10 -3.71 116.66 117.23 2d99 n ARG 36 Ca 0.42 0.15 0.47 0.00 -1.93 0.00 0.00 57.85 56.96 2d99 n ARG 36 Cb 1.88 -0.74 0.77 0.00 -1.16 0.00 0.00 32.46 33.21 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 0.06 0.12 0.55 3.38 -0.24 1.43 115.31 120.49 2d99 h LEU 37 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2d99 h LEU 37 Cb 0.09 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2d99 h LEU 37 CO 0.00 -0.05 -0.06 -0.07 0.09 0.00 0.00 178.44 178.35 2d99 h LEU 38 N 0.02 -0.14 -0.95 1.67 3.38 0.21 -2.92 115.31 116.58 2d99 h LEU 38 Ca 0.86 -0.25 0.26 0.00 0.09 0.00 0.00 57.88 58.84 2d99 h LEU 38 Cb 3.25 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 43.90 2d99 h LEU 38 CO -0.12 0.18 0.46 -0.09 0.09 0.00 0.00 178.44 178.96 2d99 h ARG 39 N -0.47 0.35 -4.65 1.13 2.43 0.19 -3.28 114.38 110.08 2d99 h ARG 39 Ca -0.02 -0.02 -0.65 0.00 -0.81 0.00 0.00 59.98 58.48 2d99 h ARG 39 Cb 0.38 -0.08 -0.39 0.00 -0.42 0.00 0.00 29.97 29.46 2d99 h ARG 39 CO 0.03 0.23 -0.76 -1.83 -1.51 0.00 0.00 179.97 176.13 2d99 s GLU 40 N -5.80 1.71 0.43 0.20 -1.05 -0.97 -4.95 118.70 108.26 2d99 s GLU 40 Ca -0.11 -1.55 0.23 0.00 -0.15 0.00 0.00 54.97 53.39 2d99 s GLU 40 Cb 0.27 -2.96 0.69 0.00 -0.44 0.00 0.00 34.13 31.69 2d99 s GLU 40 CO 0.78 -0.78 1.72 -1.00 0.95 0.00 0.00 175.26 176.94 2d99 h PRO 41 N 7.73 0.00 -0.02 -4.83 0.13 -1.63 -3.12 132.00 130.26 2d99 h PRO 41 Ca -0.11 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.79 2d99 h PRO 41 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 2d99 h PRO 41 CO 0.48 0.20 -0.93 0.78 -0.23 0.00 0.00 178.00 178.30 2d99 h GLY 42 N 2.80 0.57 0.35 1.56 0.00 -1.92 -3.03 103.07 103.39 2d99 h GLY 42 Ca -0.00 -0.96 0.13 0.00 0.00 0.00 0.00 47.33 46.50 2d99 h GLY 42 CO 0.03 0.85 0.49 -2.00 0.00 0.00 0.00 176.54 175.90 2d99 h LEU 43 N 0.30 0.65 -6.53 3.11 5.85 -1.87 -3.33 115.31 113.49 2d99 h LEU 43 Ca -0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2d99 h LEU 43 Cb 1.56 -0.05 -0.25 0.00 0.37 0.00 0.00 40.66 42.30 2d99 h LEU 43 CO 0.17 0.32 -0.33 -0.22 -0.34 0.00 0.00 178.44 178.04 2d99 s LEU 44 N -10.31 -0.98 -0.20 2.25 2.96 -1.21 -1.00 118.68 110.20 2d99 s LEU 44 Ca -0.12 0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 2d99 s LEU 44 Cb 0.21 1.72 -0.04 0.00 0.50 0.00 0.00 46.19 48.58 2d99 s LEU 44 CO 0.79 -0.26 0.08 0.00 -1.32 0.00 0.00 176.35 175.64 2d99 s ALA 45 N 2.72 3.42 -0.36 5.97 0.00 0.60 -4.69 121.76 129.43 2d99 s ALA 45 Ca 0.09 -0.80 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 2d99 s ALA 45 Cb -0.14 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 20.98 2d99 s ALA 45 CO -0.17 0.06 0.69 0.08 0.00 0.00 0.00 175.76 176.41 2d99 s VAL 46 N 0.59 4.83 0.36 0.00 1.01 -1.26 -0.94 120.40 124.99 2d99 s VAL 46 Ca 0.04 0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.78 2d99 s VAL 46 Cb -0.13 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2d99 s VAL 46 CO 0.01 -0.37 0.21 -1.10 0.00 0.00 0.00 175.10 173.85 2d99 s GLN 47 N 2.86 2.42 -1.19 2.72 -1.52 0.21 -4.61 119.66 120.54 2d99 s GLN 47 Ca 0.27 -1.57 0.00 0.00 -1.95 0.00 0.00 55.36 52.11 2d99 s GLN 47 Cb -0.14 -2.21 0.00 0.00 -0.22 0.00 0.00 33.01 30.44 2d99 s GLN 47 CO 0.16 0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.62 2d99 n GLY 48 N -1.26 -0.14 3.79 3.09 0.00 -1.26 0.17 105.19 109.58 2d99 n GLY 48 Ca -0.01 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.94 2.41 -0.63 0.99 1.43 -1.26 -0.23 118.68 117.44 2d99 s LEU 49 Ca 0.00 1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 54.09 2d99 s LEU 49 Cb 0.00 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.45 2d99 s LEU 49 CO 0.00 -2.21 1.54 -2.16 0.23 0.00 0.00 176.35 173.75 2d99 s PRO 50 N -5.15 3.03 0.22 1.29 0.04 -1.26 -4.89 135.00 128.27 2d99 s PRO 50 Ca 0.62 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.84 2d99 s PRO 50 Cb -0.15 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.06 2d99 s PRO 50 CO 0.54 -2.29 0.09 -0.85 0.04 0.00 0.00 177.00 174.54 2d99 n GLU 51 N 9.08 0.00 -2.74 4.56 0.28 -1.26 -2.99 120.64 127.57 2d99 n GLU 51 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.04 2d99 n GLU 51 Cb 0.50 -0.59 0.03 0.00 1.43 0.00 0.00 31.44 32.82 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 1.34 0.25 0.00 -1.84 0.00 -1.26 -5.03 105.19 98.65 2d99 n GLY 52 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.24 0.00 -3.71 0.99 4.77 -1.16 -5.10 117.00 110.56 2d99 n LEU 53 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 2d99 n LEU 53 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 2d99 n LEU 53 CO 0.25 0.00 0.14 0.00 -1.33 0.00 0.00 177.39 176.45 2d99 s ALA 54 N -1.16 -1.18 -0.19 -1.18 0.00 -1.26 -5.04 121.76 111.76 2d99 s ALA 54 Ca 0.00 1.43 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 2d99 s ALA 54 Cb 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 2d99 s ALA 54 CO 0.00 -0.24 2.18 0.34 0.00 0.00 0.00 175.76 178.04 2d99 n PHE 55 N 3.20 2.02 -3.57 0.00 7.35 -1.26 -4.90 117.46 120.30 2d99 n PHE 55 Ca -0.16 -0.12 -0.08 0.00 -0.76 0.00 0.00 57.45 56.33 2d99 n PHE 55 Cb 0.57 -2.72 -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 6.00 1.14 0.43 -4.13 1.70 -1.26 -5.07 118.95 117.76 2d99 s ARG 56 Ca 1.00 -0.50 -0.18 0.00 -0.47 0.00 0.00 55.73 55.59 2d99 s ARG 56 Cb -0.41 0.47 -0.14 0.00 -0.57 0.00 0.00 34.95 34.30 2d99 s ARG 56 CO 0.38 -0.51 -0.04 0.54 -1.08 0.00 0.00 175.30 174.59 2d99 n ARG 57 N -0.35 0.00 0.24 3.89 1.74 -1.26 -4.78 116.66 116.14 2d99 n ARG 57 Ca -0.10 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.12 2d99 n ARG 57 Cb 0.62 -0.92 0.42 0.00 -1.02 0.00 0.00 32.46 31.56 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 0.10 0.00 -0.00 5.56 0.13 -1.96 -2.44 132.00 133.38 2d99 h PRO 58 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2d99 h PRO 58 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2d99 h PRO 58 CO 0.40 0.03 -0.15 0.00 -0.23 0.00 0.00 178.00 178.05 2d99 n ALA 59 N -2.11 2.85 0.72 -0.56 0.00 -1.26 -3.21 120.51 116.94 2d99 n ALA 59 Ca 0.02 -0.31 0.07 0.00 0.00 0.00 0.00 53.44 53.23 2d99 n ALA 59 Cb 0.43 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.86 1.91 -1.88 0.00 1.02 -0.93 -4.99 120.64 114.90 2d99 n GLU 60 Ca 0.14 -0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 2d99 n GLU 60 Cb 0.30 -1.23 0.11 0.00 -0.02 0.00 0.00 31.44 30.60 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 -2.32 2.70 0.80 -0.32 2.02 -1.12 -4.99 117.35 114.12 2d99 s TYR 61 Ca 0.07 0.69 -0.07 0.00 -0.37 0.00 0.00 57.07 57.39 2d99 s TYR 61 Cb 0.12 -3.59 0.17 0.00 -0.40 0.00 0.00 41.96 38.26 2d99 s TYR 61 CO 0.58 -1.96 1.09 -0.25 -1.57 0.00 0.00 175.55 173.43 2d99 n ASP 62 N -3.43 0.74 -0.02 2.29 8.00 -1.26 -4.94 116.55 117.93 2d99 n ASP 62 Ca 0.09 -1.79 -0.12 0.00 0.71 0.00 0.00 54.79 53.68 2d99 n ASP 62 Cb 0.61 -0.78 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 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 -0.06 0.00 -0.24 0.13 -1.98 -2.78 132.00 127.07 2d99 h PRO 63 Ca -0.36 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2d99 h PRO 63 Cb 1.14 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2d99 h PRO 63 CO 0.31 0.58 -0.13 0.87 -0.23 0.00 0.00 178.00 179.40 2d99 h LYS 64 N -0.81 0.00 0.75 0.86 6.56 -1.99 -2.88 116.57 119.06 2d99 h LYS 64 Ca -0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 2d99 h LYS 64 Cb 0.66 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.33 2d99 h LYS 64 CO 0.01 0.13 -0.36 0.00 -2.06 0.00 0.00 179.45 177.17 2d99 h ALA 65 N 1.87 -1.04 -0.67 3.86 0.00 -1.94 -0.41 119.26 120.93 2d99 h ALA 65 Ca -0.00 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.82 2d99 h ALA 65 Cb 0.44 0.39 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 2d99 h ALA 65 CO 0.02 -0.96 -0.17 -0.07 0.00 0.00 0.00 179.25 178.06 2d99 h LEU 66 N -1.24 -0.64 -0.90 0.00 3.38 -1.36 1.13 115.31 115.69 2d99 h LEU 66 Ca -0.10 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2d99 h LEU 66 Cb 0.77 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 2d99 h LEU 66 CO 0.17 -0.23 0.55 0.24 0.09 0.00 0.00 178.44 179.26 2d99 h MET 67 N -0.00 0.93 -0.24 1.13 2.86 -1.45 -0.38 114.93 117.77 2d99 h MET 67 Ca 0.32 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.81 2d99 h MET 67 Cb 0.49 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2d99 h MET 67 CO -0.70 0.61 -0.23 0.00 1.06 0.00 0.00 176.91 177.65 2d99 h ALA 68 N 1.45 0.35 -0.57 6.32 0.00 0.17 -2.73 119.26 124.24 2d99 h ALA 68 Ca 0.41 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2d99 h ALA 68 Cb 0.28 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 2d99 h ALA 68 CO -0.21 0.32 0.09 0.82 0.00 0.00 0.00 179.25 180.27 2d99 h ILE 69 N 0.29 0.63 0.00 0.00 2.04 0.20 2.26 117.51 122.93 2d99 h ILE 69 Ca 0.04 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2d99 h ILE 69 Cb 0.79 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2d99 h ILE 69 CO 0.06 0.04 -0.05 -0.07 0.00 0.00 0.00 178.15 178.13 2d99 h LEU 70 N 0.21 0.00 0.00 1.44 3.38 -1.01 1.46 115.31 120.79 2d99 h LEU 70 Ca 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 2d99 h LEU 70 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2d99 h LEU 70 CO -0.41 0.05 -0.77 -0.33 0.09 0.00 0.00 178.44 177.07 2d99 h GLU 71 N 0.00 0.00 0.00 1.13 5.08 0.97 -3.32 114.58 118.44 2d99 h GLU 71 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2d99 h GLU 71 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2d99 h GLU 71 CO 0.01 0.96 0.00 0.72 -1.00 0.00 0.00 179.01 179.70 2d99 n HIS 72 N -4.51 0.09 0.17 4.33 8.25 0.69 -2.86 115.22 121.39 2d99 n HIS 72 Ca -0.23 0.03 0.09 0.00 -0.26 0.00 0.00 57.72 57.35 2d99 n HIS 72 Cb 0.59 -0.56 0.46 0.00 1.12 0.00 0.00 29.99 31.60 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 0.82 0.41 4.64 0.19 0.73 113.55 120.34 2d99 h SER 73 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2d99 h SER 73 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2d99 h SER 73 CO 0.00 0.00 -0.05 1.12 -0.87 0.00 0.00 176.83 177.03 2d99 h HIS 74 N 0.00 0.00 0.00 4.77 -0.00 -1.77 -3.12 115.15 115.03 2d99 h HIS 74 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 2d99 h HIS 74 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 2d99 h HIS 74 CO 0.00 0.05 -1.42 2.89 -0.00 0.00 0.00 177.93 179.45 2d99 n ARG 75 N -3.20 2.45 -1.55 5.12 1.85 0.24 -5.00 116.66 116.58 2d99 n ARG 75 Ca -0.00 -0.01 -0.61 0.00 -1.00 0.00 0.00 57.85 56.23 2d99 n ARG 75 Cb 0.29 -1.17 -0.10 0.00 -1.05 0.00 0.00 32.46 30.44 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 -2.15 0.10 -4.00 8.89 5.41 0.68 -4.16 119.36 124.13 2d99 n ILE 76 Ca -0.09 -0.05 -0.15 0.00 1.00 0.00 0.00 62.75 63.46 2d99 n ILE 76 Cb 0.62 -0.83 -0.15 0.00 -0.71 0.00 0.00 39.64 38.57 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 4.48 0.26 0.23 0.38 1.81 0.45 -4.92 118.95 121.65 2d99 s ARG 77 Ca 1.09 -0.05 -0.09 0.00 -1.72 0.00 0.00 55.73 54.96 2d99 s ARG 77 Cb -1.31 -0.31 -0.07 0.00 -0.45 0.00 0.00 34.95 32.81 2d99 s ARG 77 CO 0.69 -0.00 0.54 -0.06 -0.68 0.00 0.00 175.30 175.79 2d99 s PHE 78 N 0.28 3.43 -0.10 -0.53 0.40 -1.26 0.66 117.98 120.86 2d99 s PHE 78 Ca -0.03 0.85 -0.02 0.00 -0.60 0.00 0.00 56.93 57.14 2d99 s PHE 78 Cb -0.05 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.27 2d99 s PHE 78 CO -0.01 0.27 0.00 0.15 0.70 0.00 0.00 175.22 176.34 2d99 s LYS 79 N -2.83 0.68 0.20 0.44 -0.14 -0.12 -4.89 119.74 113.08 2d99 s LYS 79 Ca 0.47 -0.02 -0.07 0.00 -1.36 0.00 0.00 55.97 54.99 2d99 s LYS 79 Cb -0.11 -1.23 -0.06 0.00 -1.68 0.00 0.00 37.83 34.74 2d99 s LYS 79 CO 0.22 -0.37 0.48 -0.51 -0.76 0.00 0.00 175.35 174.42 2d99 s LEU 80 N 1.93 4.20 0.09 3.17 1.43 -1.26 -0.29 118.68 127.94 2d99 s LEU 80 Ca 0.04 0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 2d99 s LEU 80 Cb -0.13 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.43 2d99 s LEU 80 CO -0.06 -0.04 1.47 0.50 0.23 0.00 0.00 176.35 178.46 2d99 h LYS 81 N 2.57 -0.66 -7.05 1.70 3.64 -1.18 -3.41 116.57 112.18 2d99 h LYS 81 Ca -0.47 0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 58.50 2d99 h LYS 81 Cb 1.17 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2d99 h LYS 81 CO 0.70 -0.44 0.36 1.03 -2.27 0.00 0.00 179.45 178.83 2d99 s ARG 82 N -5.37 4.09 -0.18 1.90 0.52 -1.26 -4.99 118.95 113.65 2d99 s ARG 82 Ca -0.14 1.24 -0.29 0.00 -0.52 0.00 0.00 55.73 56.02 2d99 s ARG 82 Cb 0.05 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 2d99 s ARG 82 CO 0.52 -0.17 1.29 -1.25 0.02 0.00 0.00 175.30 175.71 2d99 s PRO 83 N -3.10 4.19 0.39 3.54 0.04 -1.26 -4.98 135.00 133.83 2d99 s PRO 83 Ca 0.63 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 63.04 2d99 s PRO 83 Cb -0.13 -3.79 -0.10 0.00 0.04 0.00 0.00 34.50 30.52 2d99 s PRO 83 CO 0.17 -0.77 1.43 0.45 0.04 0.00 0.00 177.00 178.32 2d99 n SER 84 N 6.77 3.43 -0.03 6.66 2.88 -1.26 -4.93 113.62 127.13 2d99 n SER 84 Ca 0.14 1.19 -0.15 0.00 -1.33 0.00 0.00 58.87 58.72 2d99 n SER 84 Cb 0.45 -1.59 -0.13 0.00 -0.75 0.00 0.00 64.21 62.20 2d99 n SER 84 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2d99 h SER 85 N 2.66 0.14 -3.64 -3.46 0.87 -1.93 -3.42 113.55 104.77 2d99 h SER 85 Ca -0.50 -0.89 -0.67 0.00 -1.23 0.00 0.00 61.79 58.50 2d99 h SER 85 Cb 1.26 -0.05 -0.38 0.00 -0.44 0.00 0.00 62.40 62.79 2d99 h SER 85 CO 0.63 1.02 -0.68 -0.83 -0.53 0.00 0.00 176.83 176.44 2d99 s GLY 86 N -4.09 1.94 0.68 5.77 0.00 -1.26 -5.10 107.32 105.26 2d99 s GLY 86 Ca -0.17 -2.50 -0.12 0.00 0.00 0.00 0.00 44.72 41.93 2d99 s GLY 86 CO 0.73 0.95 1.06 2.56 0.00 0.00 0.00 173.10 178.39 2d99 s PRO 87 N 0.98 3.01 0.32 2.90 0.04 -1.26 -4.71 135.00 136.28 2d99 s PRO 87 Ca 0.09 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 2d99 s PRO 87 Cb -0.20 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 2d99 s PRO 87 CO -0.07 -1.04 0.96 0.45 0.04 0.00 0.00 177.00 177.34 2d99 s SER 88 N -3.61 7.30 0.58 6.66 0.15 -1.26 -4.84 113.70 118.68 2d99 s SER 88 Ca 0.59 1.89 0.00 0.00 0.70 0.00 0.00 55.95 59.13 2d99 s SER 88 Cb -0.14 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2d99 s SER 88 CO 0.52 -0.09 0.00 -1.20 1.20 0.00 0.00 173.24 173.66 2d99 n SER 89 N 0.61 -7.34 0.00 5.45 7.64 -1.26 -5.14 113.62 113.57 2d99 n SER 89 Ca 0.02 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.31 2d99 n SER 89 Cb 0.49 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64