#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 0.00 -3.77 1.61 7.64 -1.26 -4.67 113.62 113.17 2d99 n SER 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2d99 n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2d99 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d99 s SER 3 N 0.00 -0.10 0.00 6.43 0.15 -1.26 -4.95 113.70 113.97 2d99 s SER 3 Ca 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2d99 s SER 3 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2d99 s SER 3 CO 0.00 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2d99 n GLY 4 N 0.63 5.11 3.65 9.45 0.00 -1.26 -5.14 105.19 117.63 2d99 n GLY 4 Ca -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.36 -0.11 0.55 1.61 1.04 -1.26 -5.11 113.70 110.06 2d99 s SER 5 Ca 0.00 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2d99 s SER 5 Cb 0.00 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.94 2d99 s SER 5 CO 0.00 -0.03 0.00 -1.20 0.98 0.00 0.00 173.24 172.99 2d99 n SER 6 N 2.77 -8.50 -0.83 7.02 7.64 -1.26 -4.94 113.62 115.53 2d99 n SER 6 Ca -0.16 1.21 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2d99 n SER 6 Cb 0.56 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 2d99 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d99 n GLY 7 N -4.36 -2.35 0.31 0.23 0.00 -1.26 -4.08 105.19 93.69 2d99 n GLY 7 Ca -0.06 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.89 -0.94 0.99 3.38 -1.98 1.67 115.31 117.53 2d99 h LEU 8 Ca 0.00 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2d99 h LEU 8 Cb 0.00 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2d99 h LEU 8 CO 0.00 -0.34 -0.08 -0.09 0.09 0.00 0.00 178.44 178.02 2d99 h ARG 9 N -0.38 0.68 0.00 1.13 2.43 -1.91 -1.77 114.38 114.56 2d99 h ARG 9 Ca 0.09 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2d99 h ARG 9 Cb 0.52 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2d99 h ARG 9 CO -0.32 0.75 -0.32 -0.22 -1.51 0.00 0.00 179.97 178.36 2d99 h LYS 10 N 0.63 0.00 0.06 0.20 1.63 -1.40 0.41 116.57 118.10 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 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2d99 h LYS 10 CO 0.03 0.32 -0.03 0.52 -3.45 0.00 0.00 179.45 176.84 2d99 h MET 11 N 0.00 -0.08 0.00 1.90 2.86 0.32 -3.17 114.93 116.77 2d99 h MET 11 Ca -0.00 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2d99 h MET 11 Cb 0.66 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2d99 h MET 11 CO 0.04 0.40 -0.42 -0.24 1.06 0.00 0.00 176.91 177.75 2d99 h VAL 12 N -0.60 0.93 -0.90 -2.22 3.04 -1.30 -3.04 116.25 112.15 2d99 h VAL 12 Ca -0.01 -1.69 0.21 0.00 -1.01 0.00 0.00 66.70 64.20 2d99 h VAL 12 Cb 0.51 2.03 -0.12 0.00 -2.01 0.00 0.00 31.29 31.70 2d99 h VAL 12 CO 0.01 0.41 0.43 -0.33 -1.01 0.00 0.00 177.57 177.08 2d99 h GLU 13 N 0.00 0.44 0.25 4.17 4.39 -0.15 0.06 114.58 123.74 2d99 h GLU 13 Ca -0.00 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.34 2d99 h GLU 13 Cb 1.00 -0.10 0.04 0.00 -0.10 0.00 0.00 28.75 29.58 2d99 h GLU 13 CO 0.05 0.29 -1.48 1.05 -1.16 0.00 0.00 179.01 177.77 2d99 h GLU 14 N 0.46 0.52 0.00 2.33 4.11 -1.57 -3.23 114.58 117.19 2d99 h GLU 14 Ca 0.56 -0.89 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2d99 h GLU 14 Cb 1.02 0.33 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2d99 h GLU 14 CO -0.50 1.43 0.00 0.28 0.07 0.00 0.00 179.01 180.29 2d99 n VAL 15 N -3.73 0.00 -0.34 -1.06 0.31 -0.07 0.19 118.33 113.63 2d99 n VAL 15 Ca -0.18 1.44 0.20 0.00 -0.01 0.00 0.00 64.34 65.79 2d99 n VAL 15 Cb 1.09 -2.00 0.43 0.00 -0.91 0.00 0.00 33.84 32.46 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 0.92 0.18 3.52 0.04 -1.52 0.54 116.94 120.62 2d99 h PHE 16 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2d99 h PHE 16 Cb 0.00 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.89 2d99 h PHE 16 CO -0.69 0.01 -0.09 -0.44 -0.60 0.00 0.00 178.31 176.50 2d99 h ASP 17 N 0.48 -0.21 0.76 2.17 5.19 -0.52 0.19 116.42 124.48 2d99 h ASP 17 Ca 0.66 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.95 2d99 h ASP 17 Cb 1.41 0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.98 2d99 h ASP 17 CO -0.46 -0.05 -0.37 0.58 -3.12 0.00 0.00 179.24 175.83 2d99 h VAL 18 N -0.35 0.00 -0.98 -1.35 2.07 0.50 -1.60 116.25 114.53 2d99 h VAL 18 Ca -0.02 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.62 2d99 h VAL 18 Cb 0.28 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.89 2d99 h VAL 18 CO 0.04 0.00 -0.40 -0.07 0.02 0.00 0.00 177.57 177.16 2d99 h LEU 19 N -1.04 -1.46 -0.44 2.57 3.38 -0.11 0.68 115.31 118.89 2d99 h LEU 19 Ca -0.10 0.31 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2d99 h LEU 19 Cb 0.78 0.76 -0.09 0.00 0.09 0.00 0.00 40.66 42.20 2d99 h LEU 19 CO 0.17 -0.29 -0.19 0.22 0.09 0.00 0.00 178.44 178.44 2d99 h TYR 20 N -0.01 -0.48 -0.10 1.13 3.20 -0.81 -0.90 116.97 119.01 2d99 h TYR 20 Ca 0.34 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.26 2d99 h TYR 20 Cb 0.59 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2d99 h TYR 20 CO -0.87 -0.28 0.03 0.77 -1.64 0.00 0.00 178.16 176.17 2d99 h SER 21 N -0.10 0.04 -0.67 -2.11 0.02 0.11 0.00 113.55 110.85 2d99 h SER 21 Ca 0.21 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 2d99 h SER 21 Cb 0.43 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.85 2d99 h SER 21 CO -0.51 0.04 -0.27 -0.33 -1.14 0.00 0.00 176.83 174.62 2d99 h GLU 22 N 0.08 -0.08 -0.26 3.45 5.08 0.10 1.49 114.58 124.44 2d99 h GLU 22 Ca 0.04 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2d99 h GLU 22 Cb 0.02 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2d99 h GLU 22 CO -0.04 -0.06 -0.10 0.00 -1.00 0.00 0.00 179.01 177.81 2d99 h ALA 23 N 1.32 1.35 0.00 3.43 0.00 -0.87 -0.45 119.26 124.04 2d99 h ALA 23 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2d99 h ALA 23 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2d99 h ALA 23 CO -0.72 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 178.90 2d99 h LEU 24 N 0.40 0.00 -0.92 0.00 3.38 0.26 -3.42 115.31 115.01 2d99 h LEU 24 Ca 0.08 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.69 2d99 h LEU 24 Cb 0.43 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.31 2d99 h LEU 24 CO 0.02 0.00 -0.63 0.61 0.09 0.00 0.00 178.44 178.54 2d99 n GLY 25 N 0.37 -0.41 4.01 0.83 0.00 0.44 -4.84 105.19 105.59 2d99 n GLY 25 Ca 0.02 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.14 1.86 -0.25 1.61 1.81 -1.10 -4.66 118.95 112.08 2d99 s ARG 26 Ca 0.50 -1.34 -0.11 0.00 -1.72 0.00 0.00 55.73 53.06 2d99 s ARG 26 Cb -0.22 -2.45 -0.15 0.00 -0.45 0.00 0.00 34.95 31.68 2d99 s ARG 26 CO 0.67 -1.27 -0.19 0.00 -0.68 0.00 0.00 175.30 173.83 2d99 n ALA 27 N -2.64 1.17 -2.20 2.13 0.00 -1.26 -4.86 120.51 112.85 2d99 n ALA 27 Ca 0.16 -0.98 -0.24 0.00 0.00 0.00 0.00 53.44 52.38 2d99 n ALA 27 Cb 0.61 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -7.15 5.68 -0.54 0.00 0.01 -1.26 -5.04 113.70 105.40 2d99 s SER 28 Ca -0.35 0.42 -0.20 0.00 1.31 0.00 0.00 55.95 57.12 2d99 s SER 28 Cb 0.12 -1.53 0.06 0.00 0.21 0.00 0.00 66.02 64.88 2d99 s SER 28 CO 0.55 -0.89 0.73 -0.69 0.41 0.00 0.00 173.24 173.35 2d99 s VAL 29 N -2.75 4.72 0.44 3.43 1.01 -1.26 -4.91 120.40 121.09 2d99 s VAL 29 Ca 0.51 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 2d99 s VAL 29 Cb -0.10 -4.41 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 2d99 s VAL 29 CO 0.41 -0.98 0.80 0.68 0.00 0.00 0.00 175.10 176.00 2d99 s VAL 30 N 3.02 4.81 0.93 2.92 -7.23 -1.26 -4.62 120.40 118.97 2d99 s VAL 30 Ca 0.18 0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 60.76 2d99 s VAL 30 Cb -0.19 -3.78 0.15 0.00 0.56 0.00 0.00 36.38 33.13 2d99 s VAL 30 CO 0.12 -0.65 1.14 -2.16 -0.31 0.00 0.00 175.10 173.24 2d99 s PRO 31 N -4.18 1.00 -0.35 4.82 0.04 -1.26 -4.58 135.00 130.49 2d99 s PRO 31 Ca 0.51 0.24 0.01 0.00 0.04 0.00 0.00 61.00 61.80 2d99 s PRO 31 Cb -0.10 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2d99 s PRO 31 CO 0.36 -2.28 0.08 -1.17 0.04 0.00 0.00 177.00 174.03 2d99 s LEU 32 N -6.07 4.73 -1.23 -3.56 2.96 -1.26 -4.97 118.68 109.29 2d99 s LEU 32 Ca 0.65 -1.98 -0.20 0.00 -0.22 0.00 0.00 54.13 52.37 2d99 s LEU 32 Cb -0.14 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 2d99 s LEU 32 CO 0.53 -0.40 1.83 -2.16 -1.32 0.00 0.00 176.35 174.83 2d99 s PRO 33 N 1.02 3.24 0.11 0.98 0.04 -1.26 -4.79 135.00 134.34 2d99 s PRO 33 Ca 0.07 -1.54 -0.27 0.00 0.04 0.00 0.00 61.00 59.30 2d99 s PRO 33 Cb -0.20 -5.38 -0.08 0.00 0.04 0.00 0.00 34.50 28.88 2d99 s PRO 33 CO -0.06 -3.11 1.63 1.88 0.04 0.00 0.00 177.00 177.39 2d99 h TYR 34 N 8.74 -0.73 -1.67 0.56 0.05 -1.96 0.17 116.97 122.11 2d99 h TYR 34 Ca 0.32 0.02 0.51 0.00 0.05 0.00 0.00 58.73 59.63 2d99 h TYR 34 Cb 0.91 0.31 -0.10 0.00 1.01 0.00 0.00 36.73 38.86 2d99 h TYR 34 CO 1.32 -0.37 1.17 -0.85 -1.05 0.00 0.00 178.16 178.37 2d99 n GLU 35 N -5.39 -0.01 -0.01 4.88 0.28 -1.26 0.21 120.64 119.34 2d99 n GLU 35 Ca -0.06 1.09 -0.01 0.00 -0.16 0.00 0.00 57.16 58.01 2d99 n GLU 35 Cb 0.30 -2.36 -0.00 0.00 1.43 0.00 0.00 31.44 30.80 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 -4.11 0.09 -0.33 3.44 5.12 -0.32 -3.57 116.66 116.99 2d99 n ARG 36 Ca 0.41 0.29 0.27 0.00 -1.93 0.00 0.00 57.85 56.89 2d99 n ARG 36 Cb 1.76 -0.92 0.52 0.00 -1.16 0.00 0.00 32.46 32.66 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 -0.20 0.43 -0.37 0.55 3.38 0.28 1.49 115.31 120.87 2d99 h LEU 37 Ca 0.00 0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2d99 h LEU 37 Cb 0.11 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2d99 h LEU 37 CO 0.00 -0.27 0.19 -0.07 0.09 0.00 0.00 178.44 178.39 2d99 h LEU 38 N 0.19 0.29 -0.81 1.67 3.38 0.24 -1.84 115.31 118.42 2d99 h LEU 38 Ca 0.78 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.93 2d99 h LEU 38 Cb 1.92 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.52 2d99 h LEU 38 CO -0.68 0.21 0.35 -0.09 0.09 0.00 0.00 178.44 178.32 2d99 h ARG 39 N 0.39 0.44 -4.56 1.13 2.43 0.20 -3.33 114.38 111.09 2d99 h ARG 39 Ca 0.15 -0.03 -0.65 0.00 -0.81 0.00 0.00 59.98 58.65 2d99 h ARG 39 Cb 0.04 -0.10 -0.39 0.00 -0.42 0.00 0.00 29.97 29.11 2d99 h ARG 39 CO -0.09 0.29 -0.76 -1.83 -1.51 0.00 0.00 179.97 176.07 2d99 s GLU 40 N -5.97 1.63 0.45 0.20 -1.05 -0.70 -4.95 118.70 108.31 2d99 s GLU 40 Ca -0.12 -1.49 0.25 0.00 -0.15 0.00 0.00 54.97 53.47 2d99 s GLU 40 Cb 0.22 -2.88 0.76 0.00 -0.44 0.00 0.00 34.13 31.79 2d99 s GLU 40 CO 0.77 -0.78 1.75 -1.00 0.95 0.00 0.00 175.26 176.95 2d99 h PRO 41 N 7.77 0.00 0.00 -4.83 0.13 -1.66 -2.99 132.00 130.41 2d99 h PRO 41 Ca -0.12 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.87 2d99 h PRO 41 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2d99 h PRO 41 CO 0.48 0.12 -0.68 0.78 -0.23 0.00 0.00 178.00 178.47 2d99 h GLY 42 N 2.89 0.00 1.00 1.56 0.00 -1.93 -3.08 103.07 103.51 2d99 h GLY 42 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2d99 h GLY 42 CO 0.02 0.00 0.27 -2.00 0.00 0.00 0.00 176.54 174.83 2d99 h LEU 43 N 0.00 0.87 -6.54 3.11 5.85 -1.85 -3.36 115.31 113.39 2d99 h LEU 43 Ca -0.01 -0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.39 2d99 h LEU 43 Cb 1.31 -0.22 -0.30 0.00 0.37 0.00 0.00 40.66 41.81 2d99 h LEU 43 CO 0.09 0.79 -0.49 -0.22 -0.34 0.00 0.00 178.44 178.27 2d99 s LEU 44 N -9.78 -0.59 -0.17 2.25 2.96 -1.20 -1.61 118.68 110.55 2d99 s LEU 44 Ca -0.13 0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.95 2d99 s LEU 44 Cb 0.13 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 47.84 2d99 s LEU 44 CO 0.80 -0.30 0.11 0.00 -1.32 0.00 0.00 176.35 175.64 2d99 s ALA 45 N 2.53 3.65 -0.15 5.97 0.00 -0.14 -4.71 121.76 128.91 2d99 s ALA 45 Ca 0.11 -0.70 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 2d99 s ALA 45 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 2d99 s ALA 45 CO -0.15 0.31 0.38 0.08 0.00 0.00 0.00 175.76 176.38 2d99 s VAL 46 N -0.08 5.25 0.30 0.00 1.01 -1.26 -0.89 120.40 124.73 2d99 s VAL 46 Ca 0.09 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.86 2d99 s VAL 46 Cb -0.12 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2d99 s VAL 46 CO 0.00 0.35 -0.04 -1.10 0.00 0.00 0.00 175.10 174.31 2d99 s GLN 47 N 0.61 1.60 -0.84 2.72 -1.52 0.78 -4.77 119.66 118.24 2d99 s GLN 47 Ca 0.21 -1.83 -0.01 0.00 -1.95 0.00 0.00 55.36 51.78 2d99 s GLN 47 Cb -0.14 -1.16 0.00 0.00 -0.22 0.00 0.00 33.01 31.49 2d99 s GLN 47 CO 0.07 0.01 0.10 0.41 -0.25 0.00 0.00 175.29 175.62 2d99 n GLY 48 N -0.63 -0.01 3.63 3.09 0.00 -1.26 0.14 105.19 110.16 2d99 n GLY 48 Ca -0.05 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.14 1.79 0.00 0.99 1.43 -1.26 -1.72 118.68 116.77 2d99 s LEU 49 Ca 0.05 1.55 0.06 0.00 -1.03 0.00 0.00 54.13 54.76 2d99 s LEU 49 Cb -0.02 -3.77 0.37 0.00 0.03 0.00 0.00 46.19 42.80 2d99 s LEU 49 CO 0.06 -3.27 1.02 -0.81 0.23 0.00 0.00 176.35 173.58 2d99 n PRO 50 N -4.30 0.75 -1.49 1.29 -0.04 -1.26 -4.90 135.00 125.05 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 0.55 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -4.08 -2.20 0.54 1.02 -1.26 -4.81 120.64 109.22 2d99 n GLU 51 Ca 0.05 3.10 -0.11 0.00 -0.02 0.00 0.00 57.16 60.18 2d99 n GLU 51 Cb 0.02 -3.68 -0.01 0.00 -0.02 0.00 0.00 31.44 27.75 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 -1.74 -0.07 0.15 0.62 0.00 -1.26 -4.99 105.19 97.89 2d99 n GLY 52 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.64 0.00 -3.75 0.99 4.77 -1.26 -5.15 117.00 110.96 2d99 n LEU 53 Ca -0.14 -0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 2d99 n LEU 53 Cb 0.60 0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.64 2d99 n LEU 53 CO 0.16 -0.02 -0.11 0.00 -1.33 0.00 0.00 177.39 176.09 2d99 s ALA 54 N -2.06 -0.59 -0.26 -1.18 0.00 -1.26 -5.07 121.76 111.34 2d99 s ALA 54 Ca 0.02 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 2d99 s ALA 54 Cb 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 2d99 s ALA 54 CO 0.01 -0.16 2.25 0.34 0.00 0.00 0.00 175.76 178.20 2d99 n PHE 55 N 3.69 1.88 -3.73 0.00 7.35 -1.26 -4.88 117.46 120.51 2d99 n PHE 55 Ca -0.20 -0.08 -0.06 0.00 -0.76 0.00 0.00 57.45 56.35 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 6.59 1.36 0.49 -4.13 1.70 -1.26 -5.04 118.95 118.67 2d99 s ARG 56 Ca 1.01 -0.71 -0.16 0.00 -0.47 0.00 0.00 55.73 55.40 2d99 s ARG 56 Cb -0.35 0.49 -0.13 0.00 -0.57 0.00 0.00 34.95 34.39 2d99 s ARG 56 CO 0.35 -0.62 -0.17 0.54 -1.08 0.00 0.00 175.30 174.32 2d99 n ARG 57 N -0.43 0.00 0.22 3.89 1.74 -1.26 -4.80 116.66 116.01 2d99 n ARG 57 Ca -0.07 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.15 2d99 n ARG 57 Cb 0.61 -0.88 0.44 0.00 -1.02 0.00 0.00 32.46 31.61 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 -0.09 0.00 0.00 5.56 0.13 -1.94 -2.89 132.00 132.76 2d99 h PRO 58 Ca -0.36 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.53 2d99 h PRO 58 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 2d99 h PRO 58 CO 0.35 0.00 -1.40 0.00 -0.23 0.00 0.00 178.00 176.72 2d99 h ALA 59 N 2.10 0.64 0.00 -0.56 0.00 -1.89 -3.25 119.26 116.30 2d99 h ALA 59 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2d99 h ALA 59 Cb 0.70 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2d99 h ALA 59 CO 0.00 1.32 0.00 0.39 0.00 0.00 0.00 179.25 180.96 2d99 n GLU 60 N -3.10 0.00 -2.01 0.00 1.02 -1.10 -4.80 120.64 110.64 2d99 n GLU 60 Ca -0.10 0.10 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 2d99 n GLU 60 Cb 0.96 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.97 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 -3.00 2.92 0.88 -0.32 2.02 -1.15 -4.99 117.35 113.71 2d99 s TYR 61 Ca 0.11 0.63 -0.10 0.00 -0.37 0.00 0.00 57.07 57.34 2d99 s TYR 61 Cb 0.15 -3.39 0.19 0.00 -0.40 0.00 0.00 41.96 38.51 2d99 s TYR 61 CO 0.42 -1.65 1.20 -0.25 -1.57 0.00 0.00 175.55 173.70 2d99 n ASP 62 N -3.17 0.63 -0.04 2.29 8.00 -1.26 -4.93 116.55 118.07 2d99 n ASP 62 Ca 0.08 -1.76 -0.13 0.00 0.71 0.00 0.00 54.79 53.68 2d99 n ASP 62 Cb 0.61 -0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.98 -2.76 132.00 127.15 2d99 h PRO 63 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 2d99 h PRO 63 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2d99 h PRO 63 CO 0.33 0.74 -0.12 0.87 -0.23 0.00 0.00 178.00 179.59 2d99 h LYS 64 N -0.75 0.00 0.49 0.86 6.56 -1.99 -2.98 116.57 118.76 2d99 h LYS 64 Ca -0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2d99 h LYS 64 Cb 0.74 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.41 2d99 h LYS 64 CO 0.00 0.12 -0.23 0.00 -2.06 0.00 0.00 179.45 177.27 2d99 h ALA 65 N 1.88 -0.88 -0.94 3.86 0.00 -1.94 0.66 119.26 121.90 2d99 h ALA 65 Ca -0.00 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.05 2d99 h ALA 65 Cb 0.47 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.35 2d99 h ALA 65 CO 0.02 -0.84 0.29 -0.07 0.00 0.00 0.00 179.25 178.65 2d99 h LEU 66 N -0.85 0.02 -0.73 0.00 3.38 -1.42 1.54 115.31 117.26 2d99 h LEU 66 Ca -0.07 0.23 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2d99 h LEU 66 Cb 0.50 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2d99 h LEU 66 CO 0.11 -0.25 0.03 0.24 0.09 0.00 0.00 178.44 178.67 2d99 h MET 67 N 0.15 1.01 0.00 1.13 2.86 -1.43 0.96 114.93 119.61 2d99 h MET 67 Ca 0.64 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.95 2d99 h MET 67 Cb 1.42 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 2d99 h MET 67 CO -0.73 0.97 -0.18 0.00 1.06 0.00 0.00 176.91 178.03 2d99 h ALA 68 N 1.09 0.97 0.09 6.32 0.00 0.41 -2.84 119.26 125.31 2d99 h ALA 68 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d99 h ALA 68 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2d99 h ALA 68 CO 0.02 0.23 -0.04 0.82 0.00 0.00 0.00 179.25 180.28 2d99 h ILE 69 N 0.00 0.00 -0.37 0.00 2.04 0.16 0.11 117.51 119.45 2d99 h ILE 69 Ca -0.00 -0.68 0.11 0.00 1.00 0.00 0.00 64.86 65.29 2d99 h ILE 69 Cb 0.81 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2d99 h ILE 69 CO 0.02 0.00 0.72 -0.07 0.00 0.00 0.00 178.15 178.82 2d99 h LEU 70 N -0.80 0.00 0.00 1.44 3.38 -0.90 3.80 115.31 122.23 2d99 h LEU 70 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2d99 h LEU 70 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2d99 h LEU 70 CO 0.02 0.00 -0.36 -0.33 0.09 0.00 0.00 178.44 177.87 2d99 h GLU 71 N 0.00 0.00 0.00 1.13 5.08 -1.52 -3.35 114.58 115.92 2d99 h GLU 71 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2d99 h GLU 71 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2d99 h GLU 71 CO -0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 2d99 n HIS 72 N -4.61 0.10 0.34 4.33 8.25 0.36 -2.39 115.22 121.61 2d99 n HIS 72 Ca -0.05 0.04 0.19 0.00 -0.26 0.00 0.00 57.72 57.64 2d99 n HIS 72 Cb 0.18 -0.56 1.03 0.00 1.12 0.00 0.00 29.99 31.76 2d99 n HIS 72 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2d99 h SER 73 N 0.00 0.00 0.31 0.41 0.02 0.70 0.37 113.55 115.36 2d99 h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2d99 h SER 73 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2d99 h SER 73 CO 0.00 0.00 0.00 1.12 -1.14 0.00 0.00 176.83 176.81 2d99 h HIS 74 N 0.00 0.00 0.00 3.45 2.07 -1.70 -2.61 115.15 116.36 2d99 h HIS 74 Ca 0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 2d99 h HIS 74 Cb 0.31 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.26 2d99 h HIS 74 CO 0.00 0.00 -1.69 0.54 -3.07 0.00 0.00 177.93 173.71 2d99 n ARG 75 N -2.98 2.18 -1.62 5.12 1.74 0.12 -5.00 116.66 116.22 2d99 n ARG 75 Ca -0.02 0.00 -0.63 0.00 -0.77 0.00 0.00 57.85 56.44 2d99 n ARG 75 Cb 0.14 -1.26 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.42 0.01 -3.78 0.55 5.41 -0.70 -4.39 119.36 114.04 2d99 n ILE 76 Ca -0.17 -0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.43 2d99 n ILE 76 Cb 0.82 -0.27 -0.16 0.00 -0.71 0.00 0.00 39.64 39.32 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 1.47 -0.03 0.38 0.38 1.81 0.36 -4.90 118.95 118.41 2d99 s ARG 77 Ca 0.98 0.18 -0.14 0.00 -1.72 0.00 0.00 55.73 55.03 2d99 s ARG 77 Cb -1.37 -0.22 -0.08 0.00 -0.45 0.00 0.00 34.95 32.83 2d99 s ARG 77 CO 0.69 -0.15 0.79 -0.06 -0.68 0.00 0.00 175.30 175.88 2d99 s PHE 78 N 0.97 3.40 -0.11 -0.53 0.40 -1.26 -0.15 117.98 120.70 2d99 s PHE 78 Ca -0.08 1.22 -0.02 0.00 -0.60 0.00 0.00 56.93 57.46 2d99 s PHE 78 Cb -0.11 -2.56 0.04 0.00 0.51 0.00 0.00 43.02 40.89 2d99 s PHE 78 CO -0.03 -0.03 0.00 0.15 0.70 0.00 0.00 175.22 176.01 2d99 s LYS 79 N -3.38 0.70 0.09 0.44 -0.14 -0.07 -4.92 119.74 112.47 2d99 s LYS 79 Ca 0.54 -0.08 -0.12 0.00 -1.36 0.00 0.00 55.97 54.95 2d99 s LYS 79 Cb -0.10 -1.36 -0.06 0.00 -1.68 0.00 0.00 37.83 34.62 2d99 s LYS 79 CO 0.23 -0.40 0.46 -0.51 -0.76 0.00 0.00 175.35 174.37 2d99 s LEU 80 N 1.92 4.37 0.16 3.17 1.43 -1.26 -0.97 118.68 127.49 2d99 s LEU 80 Ca 0.03 0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 53.86 2d99 s LEU 80 Cb -0.14 -3.03 0.06 0.00 0.03 0.00 0.00 46.19 43.12 2d99 s LEU 80 CO -0.06 0.17 1.64 0.50 0.23 0.00 0.00 176.35 178.83 2d99 h LYS 81 N 3.81 -0.14 -6.49 1.70 3.64 -1.45 -3.41 116.57 114.23 2d99 h LYS 81 Ca -0.49 0.01 -0.52 0.00 -1.27 0.00 0.00 60.65 58.37 2d99 h LYS 81 Cb 1.20 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2d99 h LYS 81 CO 0.65 -0.10 -0.12 1.03 -2.27 0.00 0.00 179.45 178.65 2d99 s ARG 82 N -6.14 3.69 0.38 1.90 3.00 -1.26 -5.07 118.95 115.46 2d99 s ARG 82 Ca -0.14 0.11 -0.25 0.00 0.00 0.00 0.00 55.73 55.45 2d99 s ARG 82 Cb 0.13 -2.64 -0.09 0.00 0.00 0.00 0.00 34.95 32.35 2d99 s ARG 82 CO 0.69 0.24 1.06 -1.25 0.00 0.00 0.00 175.30 176.03 2d99 s PRO 83 N -3.33 4.22 -0.30 3.54 0.04 -1.26 -5.04 135.00 132.87 2d99 s PRO 83 Ca 0.45 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 2d99 s PRO 83 Cb -0.11 -2.62 0.19 0.00 0.04 0.00 0.00 34.50 32.00 2d99 s PRO 83 CO 0.27 -0.10 1.46 0.45 0.04 0.00 0.00 177.00 179.13 2d99 s SER 84 N -1.47 -0.03 0.10 6.66 0.15 -1.26 -5.15 113.70 112.69 2d99 s SER 84 Ca 0.56 0.06 0.05 0.00 0.70 0.00 0.00 55.95 57.32 2d99 s SER 84 Cb -0.23 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2d99 s SER 84 CO 0.29 -0.01 -0.12 -0.44 1.20 0.00 0.00 173.24 174.16 2d99 s SER 85 N 0.00 1.68 0.19 5.45 0.01 -1.26 -4.88 113.70 114.89 2d99 s SER 85 Ca 0.08 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 2d99 s SER 85 Cb -0.05 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2d99 s SER 85 CO -0.16 -0.18 0.14 -0.83 0.41 0.00 0.00 173.24 172.62 2d99 s GLY 86 N -2.26 1.31 0.15 3.44 0.00 -1.26 -4.74 107.32 103.95 2d99 s GLY 86 Ca 0.05 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 2d99 s GLY 86 CO 0.02 -1.34 1.13 2.56 0.00 0.00 0.00 173.10 175.46 2d99 s PRO 87 N -4.13 4.55 0.20 2.90 0.04 -1.26 -4.94 135.00 132.35 2d99 s PRO 87 Ca 0.35 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 2d99 s PRO 87 Cb 0.07 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 2d99 s PRO 87 CO 0.10 -0.02 0.75 -1.12 0.04 0.00 0.00 177.00 176.76 2d99 s SER 88 N 0.19 7.20 -0.02 6.66 0.01 -1.26 -4.94 113.70 121.54 2d99 s SER 88 Ca 0.52 1.53 -0.26 0.00 1.31 0.00 0.00 55.95 59.05 2d99 s SER 88 Cb -0.29 -2.46 0.06 0.00 0.21 0.00 0.00 66.02 63.53 2d99 s SER 88 CO 0.34 0.10 0.57 -0.55 0.41 0.00 0.00 173.24 174.11 2d99 s SER 89 N -1.44 -0.52 0.00 2.44 0.15 -1.26 -5.27 113.70 107.80 2d99 s SER 89 Ca 0.40 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2d99 s SER 89 Cb -0.19 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2d99 s SER 89 CO 0.23 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.68