#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 s SER 2 N 0.00 -0.35 0.05 1.61 0.15 -1.26 -5.18 113.70 108.72 1x64 s SER 2 Ca 0.00 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.61 1x64 s SER 2 Cb 0.00 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1x64 s SER 2 CO 0.00 -0.71 -0.11 -0.44 1.20 0.00 0.00 173.24 173.17 1x64 s SER 3 N -2.60 1.34 0.00 5.45 0.01 -1.26 -5.13 113.70 111.51 1x64 s SER 3 Ca 0.06 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1x64 s SER 3 Cb -0.01 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1x64 s SER 3 CO -0.07 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1x64 n GLY 4 N 1.67 3.75 0.08 3.44 0.00 -1.26 -5.03 105.19 107.84 1x64 n GLY 4 Ca -0.20 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1x64 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x64 h SER 5 N 0.00 0.00 -5.04 1.61 4.64 -2.07 -3.49 113.55 109.20 1x64 h SER 5 Ca 0.00 -0.47 -0.32 0.00 -0.47 0.00 0.00 61.79 60.53 1x64 h SER 5 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 1x64 h SER 5 CO 0.00 1.08 -0.58 -1.20 -0.87 0.00 0.00 176.83 175.26 1x64 n SER 6 N -4.56 -4.99 -1.72 4.97 7.64 -1.26 -4.67 113.62 109.03 1x64 n SER 6 Ca -0.17 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1x64 n SER 6 Cb 0.45 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1x64 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x64 n GLY 7 N -1.64 -4.78 0.12 0.23 0.00 -1.26 -4.89 105.19 92.96 1x64 n GLY 7 Ca -0.04 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1x64 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x64 n VAL 8 N -0.83 1.67 -4.26 1.61 3.14 -1.26 -4.98 118.33 113.42 1x64 n VAL 8 Ca 0.00 -0.69 -0.15 0.00 -2.96 0.00 0.00 64.34 60.54 1x64 n VAL 8 Cb 0.00 -1.43 -0.10 0.00 -1.06 0.00 0.00 33.84 31.25 1x64 n VAL 8 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x64 s ARG 9 N -2.56 1.10 -0.28 1.45 3.03 -1.26 -5.14 118.95 115.29 1x64 s ARG 9 Ca -0.19 -1.48 0.00 0.00 2.03 0.00 0.00 55.73 56.09 1x64 s ARG 9 Cb 0.07 -0.65 0.14 0.00 -1.03 0.00 0.00 34.95 33.49 1x64 s ARG 9 CO 0.76 0.07 0.36 0.00 -1.13 0.00 0.00 175.30 175.36 1x64 s ALA 10 N -3.32 -0.89 1.18 7.88 0.00 -1.26 -5.16 121.76 120.19 1x64 s ALA 10 Ca 0.18 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1x64 s ALA 10 Cb 0.03 -1.89 0.22 0.00 0.00 0.00 0.00 23.12 21.48 1x64 s ALA 10 CO 0.02 -1.64 0.79 -0.35 0.00 0.00 0.00 175.76 174.58 1x64 n PRO 11 N 5.34 -2.57 -4.00 0.00 -0.04 -1.26 -5.05 135.00 127.42 1x64 n PRO 11 Ca -0.01 -1.26 -0.31 0.00 -0.04 0.00 0.00 63.50 61.88 1x64 n PRO 11 Cb 0.48 -1.19 -0.16 0.00 -0.04 0.00 0.00 33.50 32.60 1x64 n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x64 s VAL 12 N -2.43 1.71 0.16 0.52 0.11 -1.26 -5.10 120.40 114.11 1x64 s VAL 12 Ca 0.51 -1.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.20 1x64 s VAL 12 Cb -0.05 -1.81 0.06 0.00 -1.53 0.00 0.00 36.38 33.05 1x64 s VAL 12 CO 0.39 0.12 0.79 0.28 -3.33 0.00 0.00 175.10 173.35 1x64 s THR 13 N 1.35 0.00 0.85 5.04 -1.32 -1.26 -5.16 115.64 115.15 1x64 s THR 13 Ca -0.03 -0.46 -0.13 0.00 -1.21 0.00 0.00 61.69 59.87 1x64 s THR 13 Cb -0.17 -1.55 0.09 0.00 -1.51 0.00 0.00 72.50 69.36 1x64 s THR 13 CO -0.08 0.00 1.02 1.17 -2.21 0.00 0.00 174.62 174.52 1x64 n LYS 14 N -0.40 -0.06 -1.57 7.08 4.81 -1.26 -4.90 118.16 121.86 1x64 n LYS 14 Ca -0.09 0.05 -0.39 0.00 -0.87 0.00 0.00 58.31 57.01 1x64 n LYS 14 Cb 0.61 -2.29 0.03 0.00 0.02 0.00 0.00 35.03 33.41 1x64 n LYS 14 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1x64 n VAL 15 N -3.54 2.84 -3.84 3.15 0.24 -1.26 -5.00 118.33 110.92 1x64 n VAL 15 Ca 0.12 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.85 1x64 n VAL 15 Cb 0.51 -1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 31.86 1x64 n VAL 15 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1x64 s HIS 16 N -1.47 -0.10 0.00 6.34 -3.43 -1.26 -5.13 115.29 110.24 1x64 s HIS 16 Ca 0.69 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 1x64 s HIS 16 Cb -0.48 0.74 0.00 0.00 -1.43 0.00 0.00 32.58 31.41 1x64 s HIS 16 CO 0.53 -1.31 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 1x64 n GLY 17 N -0.48 0.09 0.00 -1.38 0.00 -1.26 -5.15 105.19 97.01 1x64 n GLY 17 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1x64 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x64 n GLY 18 N 2.63 -0.04 3.29 -0.02 0.00 -1.26 -5.16 105.19 104.64 1x64 n GLY 18 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 19 N 0.00 1.38 0.00 4.61 0.00 -1.26 -5.11 121.76 121.38 1x64 s ALA 19 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1x64 s ALA 19 Cb 0.00 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.51 1x64 s ALA 19 CO 0.00 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1x64 n GLY 20 N -0.48 -0.32 3.87 0.00 0.00 -1.26 -4.88 105.19 102.12 1x64 n GLY 20 Ca 0.04 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 21 N -4.00 6.64 0.48 1.61 0.01 -1.26 -5.03 113.70 112.15 1x64 s SER 21 Ca 0.00 1.07 -0.23 0.00 1.31 0.00 0.00 55.95 58.10 1x64 s SER 21 Cb 0.00 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 1x64 s SER 21 CO 0.00 -0.19 1.21 0.00 0.41 0.00 0.00 173.24 174.67 1x64 n ALA 22 N -0.50 1.03 -0.05 1.44 0.00 -1.26 -4.95 120.51 116.22 1x64 n ALA 22 Ca 0.02 0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.44 1x64 n ALA 22 Cb 0.53 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 1x64 n ALA 22 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1x64 h GLN 23 N 1.58 0.09 -5.74 0.00 4.20 -1.96 -3.44 115.11 109.85 1x64 h GLN 23 Ca -0.48 -0.16 -0.52 0.00 0.06 0.00 0.00 58.65 57.55 1x64 h GLN 23 Cb 1.31 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1x64 h GLN 23 CO 0.57 1.08 1.58 -2.13 -0.67 0.00 0.00 178.83 179.26 1x64 n ARG 24 N -4.26 1.32 -4.24 1.46 0.63 -1.26 -4.93 116.66 105.38 1x64 n ARG 24 Ca -0.25 0.19 -0.18 0.00 -0.92 0.00 0.00 57.85 56.69 1x64 n ARG 24 Cb 0.73 -3.26 -0.13 0.00 0.45 0.00 0.00 32.46 30.25 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x64 s MET 25 N 7.56 0.76 0.39 -0.14 0.23 -1.26 -5.14 119.30 121.70 1x64 s MET 25 Ca 1.01 -0.71 -0.26 0.00 -1.03 0.00 0.00 55.69 54.70 1x64 s MET 25 Cb -0.30 -0.71 -0.09 0.00 -1.53 0.00 0.00 34.83 32.20 1x64 s MET 25 CO 0.31 0.17 1.19 -1.25 -2.03 0.00 0.00 175.02 173.42 1x64 s PRO 26 N -1.18 4.09 -0.26 3.16 0.04 -1.26 -4.83 135.00 134.76 1x64 s PRO 26 Ca -0.01 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1x64 s PRO 26 Cb -0.08 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 1x64 s PRO 26 CO 0.01 -0.31 0.17 -1.17 0.04 0.00 0.00 177.00 175.75 1x64 s LEU 27 N -2.38 4.05 0.20 -3.56 1.98 -1.26 -2.13 118.68 115.58 1x64 s LEU 27 Ca 0.56 0.04 -0.32 0.00 -2.89 0.00 0.00 54.13 51.52 1x64 s LEU 27 Cb -0.32 -2.11 -0.14 0.00 0.66 0.00 0.00 46.19 44.27 1x64 s LEU 27 CO 0.41 0.01 1.32 0.00 -1.89 0.00 0.00 176.35 176.20 1x64 n ASP 29 N 2.22 1.51 -0.07 0.00 8.00 -1.08 -1.52 116.55 125.62 1x64 n ASP 29 Ca 0.14 -1.55 -0.06 0.00 0.71 0.00 0.00 54.79 54.03 1x64 n ASP 29 Cb 0.28 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x64 n LYS 30 N 0.19 0.40 0.00 -1.24 3.00 -1.26 -4.70 118.16 114.55 1x64 n LYS 30 Ca 0.18 0.23 0.09 0.00 -0.00 0.00 0.00 58.31 58.81 1x64 n LYS 30 Cb 0.34 -1.28 -0.05 0.00 0.00 0.00 0.00 35.03 34.04 1x64 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x64 n GLY 32 N 1.32 -0.45 3.12 0.00 0.00 -0.57 -5.00 105.19 103.61 1x64 n GLY 32 Ca 0.05 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 33 N -3.85 2.98 0.06 1.61 0.01 -1.26 -4.81 113.70 108.44 1x64 s SER 33 Ca 0.29 -0.58 -0.17 0.00 1.31 0.00 0.00 55.95 56.79 1x64 s SER 33 Cb -0.13 -1.38 -0.09 0.00 0.21 0.00 0.00 66.02 64.63 1x64 s SER 33 CO 0.73 0.03 0.39 0.61 0.41 0.00 0.00 173.24 175.41 1x64 n GLY 34 N 4.36 -0.58 3.43 3.44 0.00 -1.26 -3.69 105.19 110.89 1x64 n GLY 34 Ca -0.20 0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1x64 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x64 s ILE 35 N -0.30 4.14 -0.16 -0.61 1.01 -0.91 -4.87 121.20 119.51 1x64 s ILE 35 Ca 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 1x64 s ILE 35 Cb -0.56 -2.92 0.07 0.00 0.01 0.00 0.00 42.46 39.06 1x64 s ILE 35 CO 0.29 0.36 0.18 -0.69 0.00 0.00 0.00 174.94 175.08 1x64 s VAL 36 N 1.52 -0.26 0.00 2.92 1.01 -1.26 -4.43 120.40 119.90 1x64 s VAL 36 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1x64 s VAL 36 Cb -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1x64 s VAL 36 CO 0.02 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1x64 n GLY 37 N 5.31 3.19 2.94 4.51 0.00 -1.26 -5.02 105.19 114.86 1x64 n GLY 37 Ca -0.05 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1x64 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 38 N 0.00 -0.27 0.08 4.61 0.00 -1.26 -5.16 121.76 119.76 1x64 s ALA 38 Ca 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 1x64 s ALA 38 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1x64 s ALA 38 CO 0.00 -0.13 0.12 0.54 0.00 0.00 0.00 175.76 176.30 1x64 s VAL 39 N 0.84 0.16 -0.28 0.00 0.11 -1.26 -4.40 120.40 115.56 1x64 s VAL 39 Ca -0.06 -1.39 -0.02 0.00 -2.93 0.00 0.00 61.98 57.58 1x64 s VAL 39 Cb -0.08 -1.42 0.09 0.00 -1.53 0.00 0.00 36.38 33.44 1x64 s VAL 39 CO -0.04 -0.74 0.09 -0.69 -3.33 0.00 0.00 175.10 170.39 1x64 s VAL 40 N -3.88 0.66 -0.20 2.04 1.01 0.46 -4.80 120.40 115.69 1x64 s VAL 40 Ca 0.06 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 1x64 s VAL 40 Cb 0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1x64 s VAL 40 CO -0.10 -0.59 -0.02 -0.75 0.00 0.00 0.00 175.10 173.64 1x64 s LYS 41 N 1.74 3.55 0.00 2.72 2.20 -1.26 0.71 119.74 129.40 1x64 s LYS 41 Ca 0.07 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1x64 s LYS 41 Cb -0.17 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1x64 s LYS 41 CO -0.24 -0.01 0.00 0.00 -0.36 0.00 0.00 175.35 174.75 1x64 n ALA 42 N 4.27 0.00 -1.09 3.13 0.00 -1.18 -4.96 120.51 120.68 1x64 n ALA 42 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x64 n ALA 42 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1x64 n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x64 n ARG 43 N -0.63 0.00 -0.00 0.00 1.74 -1.26 -4.93 116.66 111.58 1x64 n ARG 43 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1x64 n ARG 43 Cb 0.00 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x64 n ASP 44 N -1.26 4.49 -4.93 0.55 9.92 -1.26 -5.05 116.55 119.01 1x64 n ASP 44 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 1x64 n ASP 44 Cb 0.00 1.05 0.04 0.00 -0.64 0.00 0.00 41.12 41.57 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1x64 s LYS 45 N -2.14 2.60 0.07 -1.24 1.02 -1.26 -5.11 119.74 113.67 1x64 s LYS 45 Ca -0.01 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 55.76 1x64 s LYS 45 Cb 0.01 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1x64 s LYS 45 CO 0.09 -0.87 -0.15 0.71 -0.92 0.00 0.00 175.35 174.22 1x64 s TYR 46 N -3.01 1.28 -0.08 3.18 1.51 -1.26 -3.10 117.35 115.87 1x64 s TYR 46 Ca 0.56 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 56.09 1x64 s TYR 46 Cb -0.11 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1x64 s TYR 46 CO 0.43 0.07 0.27 1.03 -1.11 0.00 0.00 175.55 176.24 1x64 s ARG 47 N -1.63 0.40 1.01 -0.62 1.81 0.22 -2.63 118.95 117.52 1x64 s ARG 47 Ca -0.00 0.21 -0.13 0.00 -1.72 0.00 0.00 55.73 54.09 1x64 s ARG 47 Cb -0.10 0.19 0.13 0.00 -0.45 0.00 0.00 34.95 34.72 1x64 s ARG 47 CO 0.02 -0.07 0.69 0.72 -0.68 0.00 0.00 175.30 175.98 1x64 n HIS 48 N 2.49 -0.67 0.46 -0.53 8.25 -1.26 0.17 115.22 124.13 1x64 n HIS 48 Ca -0.15 0.20 0.08 0.00 -0.26 0.00 0.00 57.72 57.59 1x64 n HIS 48 Cb 0.57 -1.80 0.36 0.00 1.12 0.00 0.00 29.99 30.24 1x64 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x64 n PRO 49 N -3.19 0.06 -0.01 -0.41 -0.04 -1.26 -2.26 135.00 127.89 1x64 n PRO 49 Ca 0.07 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1x64 n PRO 49 Cb 0.55 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1x64 n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x64 n GLU 50 N -1.72 1.87 0.07 0.54 0.28 -1.26 -4.66 120.64 115.76 1x64 n GLU 50 Ca 0.03 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.94 1x64 n GLU 50 Cb 0.18 -1.05 0.05 0.00 1.43 0.00 0.00 31.44 32.05 1x64 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x64 n PHE 52 N -3.81 1.27 -3.86 0.00 7.35 -0.96 -4.85 117.46 112.60 1x64 n PHE 52 Ca -0.04 0.21 -0.07 0.00 -0.76 0.00 0.00 57.45 56.79 1x64 n PHE 52 Cb 0.70 -2.55 -0.02 0.00 0.35 0.00 0.00 39.48 37.96 1x64 n PHE 52 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x64 s VAL 53 N 10.09 0.00 1.05 -2.13 -7.23 -1.26 -3.00 120.40 117.93 1x64 s VAL 53 Ca 1.11 -1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.15 1x64 s VAL 53 Cb -0.62 -2.02 0.22 0.00 0.56 0.00 0.00 36.38 34.52 1x64 s VAL 53 CO 0.38 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 176.23 1x64 n ALA 55 N -4.47 3.45 -0.07 0.00 0.00 -1.20 -2.96 120.51 115.26 1x64 n ALA 55 Ca 0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1x64 n ALA 55 Cb 0.55 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1x64 n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x64 n ASP 56 N -0.57 2.91 -0.00 0.00 -0.08 -1.26 -4.76 116.55 112.79 1x64 n ASP 56 Ca 0.05 -0.06 0.01 0.00 -1.51 0.00 0.00 54.79 53.28 1x64 n ASP 56 Cb 0.30 -0.21 -0.01 0.00 2.34 0.00 0.00 41.12 43.53 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x64 n ASN 58 N -1.29 -3.16 -4.78 0.00 5.15 -1.16 -4.89 115.26 105.14 1x64 n ASN 58 Ca 0.00 -0.41 -0.38 0.00 -0.60 0.00 0.00 54.58 53.19 1x64 n ASN 58 Cb 0.05 -3.69 -0.06 0.00 -0.53 0.00 0.00 39.78 35.55 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x64 s LEU 59 N -5.16 4.40 -0.31 1.20 0.20 -1.26 -4.37 118.68 113.38 1x64 s LEU 59 Ca 0.15 0.95 -0.33 0.00 0.69 0.00 0.00 54.13 55.59 1x64 s LEU 59 Cb -0.07 -2.69 -0.10 0.00 -0.43 0.00 0.00 46.19 42.91 1x64 s LEU 59 CO 0.51 0.17 2.20 -3.20 -0.29 0.00 0.00 176.35 175.74 1x64 n ASN 60 N 2.63 2.44 -1.07 3.68 2.85 -1.26 -0.64 115.26 123.90 1x64 n ASN 60 Ca -0.10 0.35 0.07 0.00 -0.11 0.00 0.00 54.58 54.79 1x64 n ASN 60 Cb 0.52 -1.34 0.24 0.00 1.24 0.00 0.00 39.78 40.43 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x64 n LEU 61 N 10.37 3.10 0.15 1.20 4.77 -1.16 -4.24 117.00 131.19 1x64 n LEU 61 Ca 0.38 -1.56 -0.06 0.00 -0.03 0.00 0.00 56.01 54.74 1x64 n LEU 61 Cb 0.29 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1x64 n LEU 61 CO 0.73 0.65 0.45 0.50 -1.33 0.00 0.00 177.39 178.39 1x64 h LYS 62 N 2.95 -0.36 0.02 3.23 1.63 -1.87 -3.35 116.57 118.81 1x64 h LYS 62 Ca 0.00 0.02 -0.21 0.00 -0.85 0.00 0.00 60.65 59.62 1x64 h LYS 62 Cb 0.88 0.08 0.02 0.00 -0.60 0.00 0.00 32.23 32.61 1x64 h LYS 62 CO 0.08 -0.24 -0.81 -0.56 -3.45 0.00 0.00 179.45 174.46 1x64 h GLN 63 N -0.41 0.52 -6.91 1.90 3.07 -1.98 -3.45 115.11 107.84 1x64 h GLN 63 Ca -0.04 -0.58 -0.51 0.00 0.09 0.00 0.00 58.65 57.61 1x64 h GLN 63 Cb 0.29 0.17 0.05 0.00 0.08 0.00 0.00 27.48 28.07 1x64 h GLN 63 CO 0.06 1.21 0.53 0.15 0.09 0.00 0.00 178.83 180.87 1x64 s LYS 64 N -3.19 4.18 -0.38 0.06 1.02 -1.26 -4.88 119.74 115.30 1x64 s LYS 64 Ca -0.12 1.91 -0.31 0.00 0.02 0.00 0.00 55.97 57.47 1x64 s LYS 64 Cb 0.05 -2.82 -0.10 0.00 -0.52 0.00 0.00 37.83 34.44 1x64 s LYS 64 CO 0.87 -0.23 2.28 0.41 -0.92 0.00 0.00 175.35 177.75 1x64 n GLY 65 N 0.74 0.52 3.63 -3.33 0.00 -1.26 -4.69 105.19 100.79 1x64 n GLY 65 Ca 0.03 0.86 -0.29 0.00 0.00 0.00 0.00 46.02 46.62 1x64 n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x64 s TYR 66 N 8.60 1.90 0.21 1.61 -0.85 -1.26 -3.96 117.35 123.60 1x64 s TYR 66 Ca 1.07 1.03 -0.03 0.00 -0.52 0.00 0.00 57.07 58.62 1x64 s TYR 66 Cb -0.62 -3.22 -0.03 0.00 0.38 0.00 0.00 41.96 38.47 1x64 s TYR 66 CO 0.41 -3.17 0.20 -0.06 -1.52 0.00 0.00 175.55 171.41 1x64 s PHE 67 N -2.84 0.98 -0.27 -3.49 0.40 -1.10 -4.93 117.98 106.74 1x64 s PHE 67 Ca 0.66 -1.23 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1x64 s PHE 67 Cb -0.20 -0.40 0.10 0.00 0.51 0.00 0.00 43.02 43.03 1x64 s PHE 67 CO 0.59 -0.71 0.18 -0.06 0.70 0.00 0.00 175.22 175.93 1x64 s PHE 68 N -4.12 0.04 -0.20 0.36 0.40 -1.25 -3.48 117.98 109.73 1x64 s PHE 68 Ca 0.35 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1x64 s PHE 68 Cb 0.05 -0.71 0.04 0.00 0.51 0.00 0.00 43.02 42.92 1x64 s PHE 68 CO 0.11 -0.80 -0.11 0.08 0.70 0.00 0.00 175.22 175.20 1x64 s VAL 69 N 2.20 1.67 -1.26 -0.44 1.01 0.14 -4.76 120.40 118.95 1x64 s VAL 69 Ca 0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1x64 s VAL 69 Cb -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1x64 s VAL 69 CO -0.30 0.19 1.04 -0.62 0.00 0.00 0.00 175.10 175.41 1x64 n GLU 70 N 4.68 -6.92 -2.86 2.72 -0.58 -1.26 -2.14 120.64 114.28 1x64 n GLU 70 Ca -0.15 0.83 -0.20 0.00 -0.42 0.00 0.00 57.16 57.21 1x64 n GLU 70 Cb 0.47 -5.83 0.03 0.00 -0.57 0.00 0.00 31.44 25.53 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x64 n GLY 71 N -1.43 -0.41 3.10 0.62 0.00 -1.26 -4.99 105.19 100.81 1x64 n GLY 71 Ca -0.19 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1x64 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x64 s GLU 72 N -5.50 0.49 0.30 1.61 2.12 -0.91 -5.15 118.70 111.67 1x64 s GLU 72 Ca 0.23 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 55.03 1x64 s GLU 72 Cb -0.10 0.20 -0.06 0.00 0.26 0.00 0.00 34.13 34.43 1x64 s GLU 72 CO 0.29 -0.12 0.59 -0.51 -0.54 0.00 0.00 175.26 174.97 1x64 s LEU 73 N -1.51 4.03 0.06 2.70 1.43 -1.26 0.25 118.68 124.39 1x64 s LEU 73 Ca -0.13 0.80 -0.24 0.00 -1.03 0.00 0.00 54.13 53.53 1x64 s LEU 73 Cb -0.07 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.59 1x64 s LEU 73 CO 0.00 -0.21 0.57 -0.31 0.23 0.00 0.00 176.35 176.63 1x64 s TYR 74 N -2.10 -0.49 0.48 0.29 2.02 -1.23 -3.23 117.35 113.10 1x64 s TYR 74 Ca 0.45 0.53 -0.18 0.00 -0.37 0.00 0.00 57.07 57.50 1x64 s TYR 74 Cb -0.11 0.41 -0.09 0.00 -0.40 0.00 0.00 41.96 41.77 1x64 s TYR 74 CO 0.29 -0.70 0.98 0.00 -1.57 0.00 0.00 175.55 174.55 1x64 n GLU 76 N -1.21 -0.06 0.02 0.00 2.13 -1.25 0.70 120.64 120.97 1x64 n GLU 76 Ca 0.07 1.35 -0.01 0.00 0.66 0.00 0.00 57.16 59.23 1x64 n GLU 76 Cb 0.54 -2.38 -0.00 0.00 0.27 0.00 0.00 31.44 29.86 1x64 n GLU 76 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1x64 h THR 77 N 0.00 0.00 0.41 6.31 2.02 -1.94 -0.91 112.91 118.80 1x64 h THR 77 Ca 0.79 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.96 1x64 h THR 77 Cb 2.05 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1x64 h THR 77 CO -0.77 0.00 -0.30 0.45 0.37 0.00 0.00 175.52 175.27 1x64 h HIS 78 N -0.06 -0.81 -0.68 3.16 3.86 -1.58 -2.76 115.15 116.28 1x64 h HIS 78 Ca -0.01 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1x64 h HIS 78 Cb 0.04 0.30 -0.12 0.00 1.06 0.00 0.00 27.41 28.69 1x64 h HIS 78 CO 0.21 -0.45 -0.37 0.00 0.86 0.00 0.00 177.93 178.17 1x64 h ALA 79 N -0.21 -0.07 -0.91 2.45 0.00 0.16 0.31 119.26 120.99 1x64 h ALA 79 Ca -0.04 0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.25 1x64 h ALA 79 Cb 0.60 0.89 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 1x64 h ALA 79 CO 0.01 -0.71 0.46 0.00 0.00 0.00 0.00 179.25 179.01 1x64 h ARG 80 N -0.14 0.51 -0.72 0.00 3.08 -0.99 0.33 114.38 116.45 1x64 h ARG 80 Ca 0.24 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1x64 h ARG 80 Cb 0.56 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1x64 h ARG 80 CO -0.75 0.34 0.31 0.00 -1.07 0.00 0.00 179.97 178.80 1x64 h ALA 81 N 1.67 0.93 0.39 0.04 0.00 -0.15 0.64 119.26 122.79 1x64 h ALA 81 Ca 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1x64 h ALA 81 Cb 0.97 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x64 h ALA 81 CO -0.46 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 1x64 h ARG 82 N 1.02 -0.50 -0.66 0.00 3.08 0.19 -3.22 114.38 114.29 1x64 h ARG 82 Ca 0.24 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1x64 h ARG 82 Cb 0.17 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1x64 h ARG 82 CO -0.02 -0.34 0.00 -2.37 -1.07 0.00 0.00 179.97 176.17 1x64 n THR 83 N -5.04 0.11 -0.24 2.04 5.66 0.88 -4.40 114.28 113.29 1x64 n THR 83 Ca -0.06 -0.06 0.17 0.00 -3.05 0.00 0.00 64.05 61.04 1x64 n THR 83 Cb 0.21 -0.31 0.32 0.00 -1.55 0.00 0.00 70.33 68.99 1x64 n THR 83 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1x64 n SER 84 N -0.11 0.09 -4.19 1.09 3.41 0.22 -1.75 113.62 112.38 1x64 n SER 84 Ca 0.01 1.19 -0.39 0.00 -0.26 0.00 0.00 58.87 59.42 1x64 n SER 84 Cb 0.21 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 1x64 n SER 84 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x64 s GLY 85 N -4.11 3.15 -0.79 5.00 0.00 -1.26 -5.01 107.32 104.29 1x64 s GLY 85 Ca -0.08 -3.86 -0.25 0.00 0.00 0.00 0.00 44.72 40.53 1x64 s GLY 85 CO 0.55 1.24 1.91 2.56 0.00 0.00 0.00 173.10 179.37 1x64 s PRO 86 N -1.36 2.58 0.22 2.90 0.04 -0.72 -4.84 135.00 133.83 1x64 s PRO 86 Ca 0.29 0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.41 1x64 s PRO 86 Cb -0.08 -4.79 0.54 0.00 0.04 0.00 0.00 34.50 30.20 1x64 s PRO 86 CO -0.11 -3.12 1.13 0.45 0.04 0.00 0.00 177.00 175.39 1x64 n SER 87 N 13.50 -0.10 -4.77 6.66 2.88 -1.26 -4.26 113.62 126.27 1x64 n SER 87 Ca 0.32 1.23 -0.38 0.00 -1.33 0.00 0.00 58.87 58.71 1x64 n SER 87 Cb 0.49 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 1x64 n SER 87 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x64 s SER 88 N -5.02 6.53 0.00 -3.46 0.01 -1.26 -5.31 113.70 105.19 1x64 s SER 88 Ca -0.09 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1x64 s SER 88 Cb 0.21 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x64 s SER 88 CO 0.56 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.16