#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 -0.44 0.39 1.61 0.15 -1.26 -5.18 113.70 108.98 1x64 s SER 2 Ca 0.00 0.69 0.08 0.00 0.70 0.00 0.00 55.95 57.42 1x64 s SER 2 Cb 0.00 0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1x64 s SER 2 CO 0.00 -0.30 0.46 -0.44 1.20 0.00 0.00 173.24 174.16 1x64 s SER 3 N -0.38 5.48 0.20 5.45 0.01 -1.26 -5.13 113.70 118.07 1x64 s SER 3 Ca -0.05 -0.49 -0.22 0.00 1.31 0.00 0.00 55.95 56.50 1x64 s SER 3 Cb -0.03 -0.76 0.07 0.00 0.21 0.00 0.00 66.02 65.51 1x64 s SER 3 CO 0.03 -0.62 1.00 -0.83 0.41 0.00 0.00 173.24 173.22 1x64 s GLY 4 N -4.21 0.08 0.06 3.44 0.00 -1.26 -5.19 107.32 100.25 1x64 s GLY 4 Ca 0.50 -0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.69 1x64 s GLY 4 CO 0.30 1.70 0.52 -0.56 0.00 0.00 0.00 173.10 175.06 1x64 s SER 5 N -3.29 -0.44 0.16 1.64 0.01 -1.26 -5.18 113.70 105.34 1x64 s SER 5 Ca 0.19 0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 1x64 s SER 5 Cb -0.03 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.73 1x64 s SER 5 CO 0.05 -0.75 0.43 -0.94 0.41 0.00 0.00 173.24 172.45 1x64 s SER 6 N -2.08 -0.19 0.00 2.44 1.04 -1.26 -5.19 113.70 108.47 1x64 s SER 6 Ca -0.04 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1x64 s SER 6 Cb -0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1x64 s SER 6 CO -0.03 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1x64 n GLY 7 N -0.27 4.33 2.92 7.32 0.00 -1.26 -5.16 105.19 113.07 1x64 n GLY 7 Ca -0.12 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 1x64 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x64 s VAL 8 N -1.63 -0.34 0.18 1.61 -7.23 -1.26 -5.16 120.40 106.58 1x64 s VAL 8 Ca 0.00 0.32 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1x64 s VAL 8 Cb 0.00 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1x64 s VAL 8 CO 0.00 0.13 0.05 -0.13 -0.31 0.00 0.00 175.10 174.84 1x64 s ARG 9 N 2.35 1.12 -0.22 4.82 1.81 -1.26 -5.15 118.95 122.41 1x64 s ARG 9 Ca 0.02 -1.56 -0.03 0.00 -1.72 0.00 0.00 55.73 52.44 1x64 s ARG 9 Cb -0.12 -0.06 0.11 0.00 -0.45 0.00 0.00 34.95 34.43 1x64 s ARG 9 CO -0.07 -0.23 0.29 0.00 -0.68 0.00 0.00 175.30 174.61 1x64 s ALA 10 N -3.84 -0.60 0.39 2.13 0.00 -1.26 -5.15 121.76 113.43 1x64 s ALA 10 Ca 0.28 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 1x64 s ALA 10 Cb 0.07 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.61 1x64 s ALA 10 CO 0.06 -1.27 1.19 -1.25 0.00 0.00 0.00 175.76 174.50 1x64 s PRO 11 N 2.41 4.09 -0.12 0.00 0.04 -1.26 -5.04 135.00 135.13 1x64 s PRO 11 Ca 0.09 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 1x64 s PRO 11 Cb -0.15 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1x64 s PRO 11 CO -0.15 -0.31 0.07 0.54 0.04 0.00 0.00 177.00 177.19 1x64 s VAL 12 N -1.36 4.91 -0.15 -0.36 0.11 -1.26 -5.09 120.40 117.20 1x64 s VAL 12 Ca 0.56 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.55 1x64 s VAL 12 Cb -0.32 -3.12 0.07 0.00 -1.53 0.00 0.00 36.38 31.48 1x64 s VAL 12 CO 0.41 0.59 0.23 0.42 -3.33 0.00 0.00 175.10 173.42 1x64 s THR 13 N -0.75 -0.36 -0.07 5.04 -4.23 -1.26 -5.14 115.64 108.86 1x64 s THR 13 Ca 0.12 0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.66 1x64 s THR 13 Cb -0.12 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.23 1x64 s THR 13 CO 0.03 -0.01 0.27 -0.75 -0.54 0.00 0.00 174.62 173.62 1x64 s LYS 14 N 2.36 0.41 -0.19 3.99 2.47 -1.26 -5.16 119.74 122.36 1x64 s LYS 14 Ca 0.04 0.19 -0.09 0.00 -1.56 0.00 0.00 55.97 54.55 1x64 s LYS 14 Cb -0.14 0.19 0.07 0.00 -1.46 0.00 0.00 37.83 36.50 1x64 s LYS 14 CO -0.10 -0.08 0.45 0.54 0.16 0.00 0.00 175.35 176.32 1x64 s VAL 15 N -0.31 -0.24 -0.09 4.02 0.11 -1.26 -5.15 120.40 117.48 1x64 s VAL 15 Ca -0.04 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1x64 s VAL 15 Cb -0.03 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1x64 s VAL 15 CO 0.01 0.04 0.21 -2.28 -3.33 0.00 0.00 175.10 169.76 1x64 s HIS 16 N 1.83 -0.26 -0.30 1.54 5.04 -1.26 -5.14 115.29 116.74 1x64 s HIS 16 Ca -0.07 0.65 -0.16 0.00 -1.54 0.00 0.00 55.06 53.94 1x64 s HIS 16 Cb -0.09 0.02 0.19 0.00 0.04 0.00 0.00 32.58 32.74 1x64 s HIS 16 CO -0.14 -0.19 1.19 0.20 -2.34 0.00 0.00 174.74 173.46 1x64 s GLY 17 N 0.98 0.44 0.00 1.59 0.00 -1.26 -5.15 107.32 103.93 1x64 s GLY 17 Ca -0.07 3.65 0.00 0.00 0.00 0.00 0.00 44.72 48.30 1x64 s GLY 17 CO -0.06 2.78 0.00 0.61 0.00 0.00 0.00 173.10 176.43 1x64 n GLY 18 N 3.37 1.93 3.43 0.20 0.00 -1.26 -5.19 105.19 107.68 1x64 n GLY 18 Ca -0.17 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.75 -0.21 4.61 0.00 -1.26 -5.04 121.76 120.61 1x64 s ALA 19 Ca 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1x64 s ALA 19 Cb 0.00 1.22 0.10 0.00 0.00 0.00 0.00 23.12 24.44 1x64 s ALA 19 CO 0.00 -0.75 2.20 0.41 0.00 0.00 0.00 175.76 177.62 1x64 n GLY 20 N -0.48 3.57 0.12 0.00 0.00 -1.26 -4.51 105.19 102.64 1x64 n GLY 20 Ca 0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1x64 n GLY 20 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x64 h SER 21 N 1.58 0.23 0.13 1.61 0.87 -2.02 -3.24 113.55 112.71 1x64 h SER 21 Ca 0.21 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.46 1x64 h SER 21 Cb 0.96 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1x64 h SER 21 CO 0.51 0.17 -1.57 0.00 -0.53 0.00 0.00 176.83 175.41 1x64 h ALA 22 N 1.11 0.22 -1.62 6.23 0.00 -2.04 -3.44 119.26 119.72 1x64 h ALA 22 Ca 0.10 -1.15 -0.52 0.00 0.00 0.00 0.00 54.91 53.33 1x64 h ALA 22 Cb -0.00 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1x64 h ALA 22 CO -0.04 0.94 1.34 -0.65 0.00 0.00 0.00 179.25 180.84 1x64 s GLN 23 N -2.51 2.83 -0.02 0.00 -1.52 -1.22 -4.81 119.66 112.42 1x64 s GLN 23 Ca -0.20 0.92 0.13 0.00 -1.95 0.00 0.00 55.36 54.26 1x64 s GLN 23 Cb 0.05 -4.33 0.40 0.00 -0.22 0.00 0.00 33.01 28.91 1x64 s GLN 23 CO 0.78 -2.47 1.31 -2.13 -0.25 0.00 0.00 175.29 172.53 1x64 n ARG 24 N 8.91 2.20 -4.22 2.91 3.00 -1.26 -4.77 116.66 123.43 1x64 n ARG 24 Ca 0.22 -1.63 -0.17 0.00 -0.00 0.00 0.00 57.85 56.27 1x64 n ARG 24 Cb 0.51 -1.42 -0.11 0.00 0.00 0.00 0.00 32.46 31.43 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x64 s MET 25 N -1.49 0.96 0.56 -0.14 0.23 -1.26 -5.14 119.30 113.01 1x64 s MET 25 Ca 0.30 -1.18 -0.19 0.00 -1.03 0.00 0.00 55.69 53.59 1x64 s MET 25 Cb 0.17 -0.82 -0.05 0.00 -1.53 0.00 0.00 34.83 32.59 1x64 s MET 25 CO 0.19 0.16 1.13 -1.25 -2.03 0.00 0.00 175.02 173.21 1x64 s PRO 26 N -2.56 3.27 -0.30 3.16 0.04 -1.26 -4.79 135.00 132.56 1x64 s PRO 26 Ca 0.07 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 1x64 s PRO 26 Cb -0.05 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1x64 s PRO 26 CO 0.02 -0.91 0.16 -1.17 0.04 0.00 0.00 177.00 175.14 1x64 s LEU 27 N -3.97 4.03 -0.16 -3.56 1.98 -1.26 -2.17 118.68 113.56 1x64 s LEU 27 Ca 0.72 -0.33 -0.37 0.00 -2.89 0.00 0.00 54.13 51.26 1x64 s LEU 27 Cb -0.23 -2.03 -0.13 0.00 0.66 0.00 0.00 46.19 44.45 1x64 s LEU 27 CO 0.29 -0.14 1.81 0.00 -1.89 0.00 0.00 176.35 176.43 1x64 n ASP 29 N 6.01 0.00 -0.11 0.00 -0.08 -1.23 0.59 116.55 121.73 1x64 n ASP 29 Ca 0.24 -0.98 -0.19 0.00 -1.51 0.00 0.00 54.79 52.35 1x64 n ASP 29 Cb 0.22 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.62 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1x64 n LYS 30 N -0.93 0.55 -0.22 -0.67 3.00 -1.26 -4.64 118.16 114.00 1x64 n LYS 30 Ca 0.17 0.30 0.06 0.00 -0.00 0.00 0.00 58.31 58.85 1x64 n LYS 30 Cb 0.08 -1.51 0.16 0.00 0.00 0.00 0.00 35.03 33.75 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 -0.18 -0.23 3.20 0.00 0.00 0.20 -4.90 105.19 103.28 1x64 n GLY 32 Ca 0.13 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 33 N -3.62 2.87 0.23 1.61 0.15 -1.24 -4.84 113.70 108.85 1x64 s SER 33 Ca 0.37 -0.50 -0.27 0.00 0.70 0.00 0.00 55.95 56.25 1x64 s SER 33 Cb -0.21 -1.14 -0.17 0.00 -1.71 0.00 0.00 66.02 62.79 1x64 s SER 33 CO 0.90 0.17 0.44 0.61 1.20 0.00 0.00 173.24 176.56 1x64 n GLY 34 N 3.38 -1.90 3.38 9.45 0.00 -1.26 -3.11 105.19 115.13 1x64 n GLY 34 Ca -0.19 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.11 3.34 -0.23 -0.61 1.01 -0.92 -4.85 121.20 117.82 1x64 s ILE 35 Ca 0.62 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1x64 s ILE 35 Cb -0.87 -2.45 0.10 0.00 0.01 0.00 0.00 42.46 39.25 1x64 s ILE 35 CO 0.57 0.49 0.51 0.54 0.00 0.00 0.00 174.94 177.05 1x64 s VAL 36 N 0.66 -0.59 0.00 2.92 0.11 -1.26 -4.41 120.40 117.84 1x64 s VAL 36 Ca -0.05 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1x64 s VAL 36 Cb -0.15 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1x64 s VAL 36 CO 0.02 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1x64 n GLY 37 N 5.13 3.25 3.43 6.54 0.00 -1.26 -5.00 105.19 117.29 1x64 n GLY 37 Ca -0.13 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.06 -1.45 0.10 4.61 0.00 -1.26 -5.17 121.76 118.53 1x64 s ALA 38 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1x64 s ALA 38 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1x64 s ALA 38 CO 0.00 -0.50 -0.02 0.54 0.00 0.00 0.00 175.76 175.78 1x64 s VAL 39 N 1.94 0.42 -0.29 0.00 0.11 -1.26 -4.30 120.40 117.02 1x64 s VAL 39 Ca -0.08 -1.89 -0.01 0.00 -2.93 0.00 0.00 61.98 57.07 1x64 s VAL 39 Cb -0.09 -1.75 0.09 0.00 -1.53 0.00 0.00 36.38 33.10 1x64 s VAL 39 CO -0.16 -0.79 0.08 -0.69 -3.33 0.00 0.00 175.10 170.22 1x64 s VAL 40 N -3.81 0.77 -0.22 2.04 1.01 0.43 -4.80 120.40 115.83 1x64 s VAL 40 Ca 0.14 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 1x64 s VAL 40 Cb 0.07 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1x64 s VAL 40 CO -0.04 -0.58 0.03 -0.75 0.00 0.00 0.00 175.10 173.75 1x64 s LYS 41 N 1.68 3.65 0.00 2.72 2.20 -1.26 0.46 119.74 129.19 1x64 s LYS 41 Ca 0.07 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1x64 s LYS 41 Cb -0.17 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1x64 s LYS 41 CO -0.23 -0.04 0.01 0.00 -0.36 0.00 0.00 175.35 174.73 1x64 n ALA 42 N 4.43 0.00 -0.77 3.13 0.00 -1.16 -4.95 120.51 121.18 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 -2.13 0.00 0.00 0.00 177.50 175.37 1x64 n ARG 43 N -0.42 0.00 -0.00 0.00 0.63 -1.26 -4.94 116.66 110.67 1x64 n ARG 43 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1x64 n ARG 43 Cb 0.00 -0.16 -0.00 0.00 0.45 0.00 0.00 32.46 32.74 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x64 n ASP 44 N -1.64 4.88 -4.92 6.15 9.92 -1.26 -5.05 116.55 124.64 1x64 n ASP 44 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1x64 n ASP 44 Cb 0.00 0.79 0.04 0.00 -0.64 0.00 0.00 41.12 41.31 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 -2.02 2.77 0.05 -1.24 1.02 -1.26 -5.10 119.74 113.96 1x64 s LYS 45 Ca -0.00 0.01 0.06 0.00 0.02 0.00 0.00 55.97 56.06 1x64 s LYS 45 Cb 0.00 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 1x64 s LYS 45 CO 0.02 -0.85 -0.17 0.71 -0.92 0.00 0.00 175.35 174.14 1x64 s TYR 46 N -3.09 1.49 -0.06 3.18 1.51 -1.26 -3.00 117.35 116.12 1x64 s TYR 46 Ca 0.56 -0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 56.14 1x64 s TYR 46 Cb -0.11 -0.87 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 1x64 s TYR 46 CO 0.46 0.08 0.22 1.03 -1.11 0.00 0.00 175.55 176.24 1x64 s ARG 47 N -1.35 0.37 0.99 -0.62 1.81 0.17 -3.55 118.95 116.78 1x64 s ARG 47 Ca 0.04 0.11 -0.13 0.00 -1.72 0.00 0.00 55.73 54.02 1x64 s ARG 47 Cb -0.09 0.17 0.11 0.00 -0.45 0.00 0.00 34.95 34.69 1x64 s ARG 47 CO 0.02 -0.07 0.62 0.72 -0.68 0.00 0.00 175.30 175.91 1x64 n HIS 48 N 2.42 -0.80 0.47 -0.53 8.25 -1.26 0.16 115.22 123.93 1x64 n HIS 48 Ca -0.16 0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1x64 n HIS 48 Cb 0.57 -1.80 0.34 0.00 1.12 0.00 0.00 29.99 30.22 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 -2.83 0.03 -0.01 -0.41 -0.04 -1.26 -2.33 135.00 128.16 1x64 n PRO 49 Ca 0.07 0.29 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1x64 n PRO 49 Cb 0.55 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.63 2.66 0.04 0.54 0.28 -1.26 -4.66 120.64 116.61 1x64 n GLU 50 Ca 0.03 -0.01 -0.07 0.00 -0.16 0.00 0.00 57.16 56.95 1x64 n GLU 50 Cb 0.18 -1.06 0.10 0.00 1.43 0.00 0.00 31.44 32.09 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 -3.95 1.18 -3.83 0.00 7.35 -0.98 -4.83 117.46 112.41 1x64 n PHE 52 Ca -0.03 0.23 -0.07 0.00 -0.76 0.00 0.00 57.45 56.82 1x64 n PHE 52 Cb 0.59 -2.54 0.01 0.00 0.35 0.00 0.00 39.48 37.88 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 10.34 0.00 0.98 -2.13 -7.23 -1.26 -3.34 120.40 117.76 1x64 s VAL 53 Ca 1.12 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 60.23 1x64 s VAL 53 Cb -0.64 -2.53 0.18 0.00 0.56 0.00 0.00 36.38 33.95 1x64 s VAL 53 CO 0.37 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.26 1x64 n ALA 55 N -4.13 3.79 -0.08 0.00 0.00 -1.21 -2.91 120.51 115.97 1x64 n ALA 55 Ca 0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1x64 n ALA 55 Cb 0.57 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.15 2.64 -0.00 0.00 -0.08 -1.26 -4.74 116.55 111.96 1x64 n ASP 56 Ca 0.03 -0.08 0.01 0.00 -1.51 0.00 0.00 54.79 53.24 1x64 n ASP 56 Cb 0.24 -0.18 -0.01 0.00 2.34 0.00 0.00 41.12 43.51 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 -1.34 -4.72 -4.85 0.00 2.85 -1.15 -4.89 115.26 101.17 1x64 n ASN 58 Ca -0.00 -0.48 -0.34 0.00 -0.11 0.00 0.00 54.58 53.65 1x64 n ASN 58 Cb 0.05 -4.38 -0.06 0.00 1.24 0.00 0.00 39.78 36.63 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x64 s LEU 59 N -6.18 4.23 0.06 1.20 2.96 -1.26 -4.42 118.68 115.26 1x64 s LEU 59 Ca 0.36 1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 55.08 1x64 s LEU 59 Cb -0.16 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.84 1x64 s LEU 59 CO 0.62 -0.02 1.95 0.59 -1.32 0.00 0.00 176.35 178.17 1x64 n ASN 60 N 0.26 4.16 -0.02 3.68 4.13 -1.26 -1.15 115.26 125.06 1x64 n ASN 60 Ca -0.01 0.92 0.05 0.00 1.68 0.00 0.00 54.58 57.21 1x64 n ASN 60 Cb 0.52 -1.53 -0.12 0.00 -1.54 0.00 0.00 39.78 37.10 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x64 n LEU 61 N 7.16 0.00 -0.09 3.41 4.77 -1.21 -4.22 117.00 126.81 1x64 n LEU 61 Ca 0.20 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1x64 n LEU 61 Cb 0.40 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1x64 n LEU 61 CO 0.68 0.08 0.43 1.17 -1.33 0.00 0.00 177.39 178.41 1x64 n LYS 62 N -2.17 -0.10 0.01 3.23 3.00 -1.26 -1.70 118.16 119.18 1x64 n LYS 62 Ca -0.07 0.98 -0.19 0.00 -0.00 0.00 0.00 58.31 59.03 1x64 n LYS 62 Cb 0.54 -1.46 -0.09 0.00 0.00 0.00 0.00 35.03 34.02 1x64 n LYS 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1x64 h GLN 63 N 0.00 0.66 -7.47 1.64 3.07 -1.97 -3.46 115.11 107.58 1x64 h GLN 63 Ca 0.04 -0.64 -0.41 0.00 0.09 0.00 0.00 58.65 57.72 1x64 h GLN 63 Cb 0.09 0.16 0.20 0.00 0.08 0.00 0.00 27.48 28.01 1x64 h GLN 63 CO -0.21 1.24 0.17 0.15 0.09 0.00 0.00 178.83 180.27 1x64 s LYS 64 N -3.47 -1.31 -0.32 0.06 1.02 -0.69 -4.96 119.74 110.08 1x64 s LYS 64 Ca -0.11 -0.25 -0.28 0.00 0.02 0.00 0.00 55.97 55.35 1x64 s LYS 64 Cb 0.07 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1x64 s LYS 64 CO 0.89 -3.74 1.03 0.20 -0.92 0.00 0.00 175.35 172.81 1x64 s GLY 65 N -4.15 1.58 0.57 -3.33 0.00 -1.26 -4.79 107.32 95.94 1x64 s GLY 65 Ca 0.73 -0.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.26 1x64 s GLY 65 CO 0.55 2.18 0.91 -2.52 0.00 0.00 0.00 173.10 174.23 1x64 s TYR 66 N 3.53 3.45 0.07 1.90 1.13 -1.26 -3.30 117.35 122.87 1x64 s TYR 66 Ca 0.43 0.88 -0.05 0.00 -1.41 0.00 0.00 57.07 56.93 1x64 s TYR 66 Cb -0.13 -2.62 -0.02 0.00 -1.10 0.00 0.00 41.96 38.09 1x64 s TYR 66 CO 0.15 -0.65 0.08 -0.06 -2.51 0.00 0.00 175.55 172.56 1x64 s PHE 67 N -2.98 0.37 -0.29 -3.49 0.40 -1.01 -4.91 117.98 106.06 1x64 s PHE 67 Ca 0.52 -0.86 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1x64 s PHE 67 Cb -0.11 -0.24 0.09 0.00 0.51 0.00 0.00 43.02 43.28 1x64 s PHE 67 CO 0.48 -0.47 0.07 -0.06 0.70 0.00 0.00 175.22 175.93 1x64 s PHE 68 N -3.90 1.94 -0.34 0.36 0.08 -1.26 -3.17 117.98 111.69 1x64 s PHE 68 Ca 0.07 -1.79 0.01 0.00 0.12 0.00 0.00 56.93 55.34 1x64 s PHE 68 Cb 0.06 -1.76 0.09 0.00 -0.57 0.00 0.00 43.02 40.84 1x64 s PHE 68 CO -0.10 -0.85 0.06 0.08 -0.10 0.00 0.00 175.22 174.32 1x64 s VAL 69 N 1.54 2.70 -1.24 -0.44 1.01 0.85 -4.69 120.40 120.11 1x64 s VAL 69 Ca 0.07 -1.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.02 1x64 s VAL 69 Cb -0.18 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1x64 s VAL 69 CO -0.19 -0.44 1.08 -0.62 0.00 0.00 0.00 175.10 174.93 1x64 n GLU 70 N 4.45 -7.24 0.00 2.72 1.02 -1.26 -2.12 120.64 118.21 1x64 n GLU 70 Ca -0.04 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1x64 n GLU 70 Cb 0.42 -5.68 0.00 0.00 -0.02 0.00 0.00 31.44 26.16 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x64 n GLY 71 N -1.75 2.09 3.83 0.62 0.00 -1.26 -4.98 105.19 103.73 1x64 n GLY 71 Ca -0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 3.62 0.30 1.61 2.56 -0.90 -5.01 118.70 120.88 1x64 s GLU 72 Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 54.97 56.05 1x64 s GLU 72 Cb 0.00 -2.08 -0.02 0.00 2.00 0.00 0.00 34.13 34.03 1x64 s GLU 72 CO 0.00 -0.55 0.44 -0.51 -0.56 0.00 0.00 175.26 174.08 1x64 s LEU 73 N -4.41 4.12 0.05 2.70 1.43 -1.26 -0.11 118.68 121.20 1x64 s LEU 73 Ca 0.60 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.45 1x64 s LEU 73 Cb -0.13 -2.88 0.08 0.00 0.03 0.00 0.00 46.19 43.30 1x64 s LEU 73 CO 0.37 -0.27 0.73 -0.31 0.23 0.00 0.00 176.35 177.10 1x64 s TYR 74 N -2.12 -0.49 0.65 0.29 2.02 -1.19 -3.30 117.35 113.22 1x64 s TYR 74 Ca 0.40 0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 57.45 1x64 s TYR 74 Cb -0.09 0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 41.97 1x64 s TYR 74 CO 0.31 -0.67 1.06 0.00 -1.57 0.00 0.00 175.55 174.67 1x64 h GLU 76 N -0.46 0.45 0.00 0.00 4.81 -1.90 0.78 114.58 118.26 1x64 h GLU 76 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1x64 h GLU 76 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1x64 h GLU 76 CO 0.63 0.30 0.00 2.41 -0.73 0.00 0.00 179.01 181.62 1x64 n THR 77 N -4.92 0.00 0.24 0.32 -1.04 -1.26 -1.54 114.28 106.08 1x64 n THR 77 Ca 0.29 1.28 -0.16 0.00 -2.04 0.00 0.00 64.05 63.42 1x64 n THR 77 Cb 0.86 -2.28 -0.08 0.00 -1.82 0.00 0.00 70.33 67.01 1x64 n THR 77 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1x64 h HIS 78 N 0.00 -0.97 -0.69 -1.42 3.86 -1.84 -2.70 115.15 111.39 1x64 h HIS 78 Ca 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1x64 h HIS 78 Cb 0.00 0.37 -0.12 0.00 1.06 0.00 0.00 27.41 28.72 1x64 h HIS 78 CO 0.18 -0.51 -0.40 0.00 0.86 0.00 0.00 177.93 178.06 1x64 h ALA 79 N -0.34 -0.13 -0.92 2.45 0.00 0.43 0.32 119.26 121.07 1x64 h ALA 79 Ca -0.03 0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.26 1x64 h ALA 79 Cb 0.68 0.93 -0.12 0.00 0.00 0.00 0.00 17.79 19.28 1x64 h ALA 79 CO -0.04 -0.74 0.45 0.00 0.00 0.00 0.00 179.25 178.92 1x64 h ARG 80 N -0.15 0.47 0.00 0.00 3.08 -1.08 0.69 114.38 117.39 1x64 h ARG 80 Ca 0.23 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1x64 h ARG 80 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1x64 h ARG 80 CO -0.76 0.31 -0.26 0.00 -1.07 0.00 0.00 179.97 178.19 1x64 h ALA 81 N 1.69 1.50 0.00 0.04 0.00 -0.09 1.13 119.26 123.54 1x64 h ALA 81 Ca 0.57 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x64 h ALA 81 Cb 1.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x64 h ALA 81 CO -0.49 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 178.93 1x64 h ARG 82 N 0.00 0.00 -0.16 0.00 3.08 0.11 -3.37 114.38 114.04 1x64 h ARG 82 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1x64 h ARG 82 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1x64 h ARG 82 CO 0.03 0.06 -0.41 0.00 -1.07 0.00 0.00 179.97 178.58 1x64 h THR 83 N -1.00 1.31 -5.37 2.04 1.03 -0.46 -3.46 112.91 107.00 1x64 h THR 83 Ca -0.01 -1.56 -0.14 0.00 -0.01 0.00 0.00 66.41 64.70 1x64 h THR 83 Cb 0.20 1.64 -0.07 0.00 -1.07 0.00 0.00 68.15 68.84 1x64 h THR 83 CO -0.00 0.48 -0.20 -1.54 -0.01 0.00 0.00 175.52 174.24 1x64 n SER 84 N -4.02 -1.36 0.00 0.00 3.41 0.39 -4.74 113.62 107.29 1x64 n SER 84 Ca -0.02 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1x64 n SER 84 Cb 0.50 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x64 n GLY 85 N -0.64 -0.21 0.95 5.00 0.00 -1.26 -4.67 105.19 104.36 1x64 n GLY 85 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1x64 n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x64 n PRO 86 N -2.26 0.49 -3.95 1.61 -0.04 -1.26 -4.70 135.00 124.89 1x64 n PRO 86 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1x64 n PRO 86 Cb 0.00 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 1x64 n PRO 86 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x64 s SER 87 N 0.86 0.22 0.13 3.54 1.04 -1.26 -5.07 113.70 113.16 1x64 s SER 87 Ca 0.00 -0.80 -0.29 0.00 0.48 0.00 0.00 55.95 55.34 1x64 s SER 87 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.38 1x64 s SER 87 CO 0.00 -0.71 1.58 0.77 0.98 0.00 0.00 173.24 175.86 1x64 h SER 88 N 2.84 -1.35 -0.01 7.02 4.64 -1.93 -3.48 113.55 121.27 1x64 h SER 88 Ca -0.34 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1x64 h SER 88 Cb 1.19 0.55 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1x64 h SER 88 CO 0.58 -0.43 0.00 0.61 -0.87 0.00 0.00 176.83 176.72