#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 -0.14 -1.52 1.61 1.04 -1.26 -4.93 113.70 108.50 1x64 s SER 2 Ca 0.00 -0.70 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 1x64 s SER 2 Cb 0.00 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.75 1x64 s SER 2 CO 0.00 -1.05 0.89 -1.20 0.98 0.00 0.00 173.24 172.86 1x64 n SER 3 N -0.33 -3.87 -3.94 7.02 7.64 -1.26 -4.94 113.62 113.95 1x64 n SER 3 Ca -0.07 -0.83 -0.30 0.00 1.01 0.00 0.00 58.87 58.69 1x64 n SER 3 Cb 0.62 -3.72 -0.14 0.00 -1.01 0.00 0.00 64.21 59.96 1x64 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x64 s GLY 4 N -3.51 2.44 -0.01 0.23 0.00 -1.26 -5.06 107.32 100.14 1x64 s GLY 4 Ca 0.55 -3.28 0.00 0.00 0.00 0.00 0.00 44.72 41.99 1x64 s GLY 4 CO 0.84 1.04 0.00 -1.35 0.00 0.00 0.00 173.10 173.64 1x64 s SER 5 N -0.33 0.18 0.20 1.64 1.04 -1.26 -5.16 113.70 110.00 1x64 s SER 5 Ca 0.17 -0.01 0.10 0.00 0.48 0.00 0.00 55.95 56.70 1x64 s SER 5 Cb -0.25 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1x64 s SER 5 CO -0.01 -0.05 -0.21 -0.44 0.98 0.00 0.00 173.24 173.52 1x64 s SER 6 N 0.48 3.10 0.13 7.02 0.01 -1.26 -5.16 113.70 118.03 1x64 s SER 6 Ca -0.04 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 56.36 1x64 s SER 6 Cb -0.07 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1x64 s SER 6 CO -0.01 0.03 -0.09 -0.83 0.41 0.00 0.00 173.24 172.74 1x64 s GLY 7 N -2.83 0.99 -0.12 3.44 0.00 -1.26 -5.15 107.32 102.39 1x64 s GLY 7 Ca 0.20 -1.44 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 1x64 s GLY 7 CO 0.09 -1.54 0.27 -1.34 0.00 0.00 0.00 173.10 170.58 1x64 s VAL 8 N -3.32 -0.17 0.02 1.40 -7.23 -1.26 -5.14 120.40 104.69 1x64 s VAL 8 Ca 0.15 0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 60.26 1x64 s VAL 8 Cb 0.03 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 1x64 s VAL 8 CO -0.01 0.08 0.74 -0.13 -0.31 0.00 0.00 175.10 175.48 1x64 s ARG 9 N 1.68 4.47 0.29 4.82 3.00 -1.26 -5.07 118.95 126.88 1x64 s ARG 9 Ca -0.06 1.01 0.11 0.00 0.00 0.00 0.00 55.73 56.80 1x64 s ARG 9 Cb -0.11 -3.38 -0.05 0.00 0.00 0.00 0.00 34.95 31.41 1x64 s ARG 9 CO -0.09 0.24 -0.16 0.00 0.00 0.00 0.00 175.30 175.29 1x64 s ALA 10 N 0.13 2.84 0.73 2.13 0.00 -1.26 -5.13 121.76 121.19 1x64 s ALA 10 Ca 0.38 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.33 1x64 s ALA 10 Cb -0.20 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1x64 s ALA 10 CO 0.22 0.24 1.10 -1.25 0.00 0.00 0.00 175.76 176.07 1x64 s PRO 11 N -3.55 2.47 -0.01 0.00 0.04 -1.26 -5.07 135.00 127.63 1x64 s PRO 11 Ca 0.31 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.61 1x64 s PRO 11 Cb -0.04 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1x64 s PRO 11 CO 0.16 -1.49 -0.03 0.54 0.04 0.00 0.00 177.00 176.23 1x64 s VAL 12 N -2.68 0.26 -0.15 -0.36 0.11 -1.26 -5.12 120.40 111.20 1x64 s VAL 12 Ca 0.63 -0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.29 1x64 s VAL 12 Cb -0.18 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1x64 s VAL 12 CO 0.50 0.10 1.19 0.28 -3.33 0.00 0.00 175.10 173.83 1x64 s THR 13 N 0.18 4.39 -0.08 5.04 -1.32 -1.26 -4.88 115.64 117.71 1x64 s THR 13 Ca -0.02 1.68 0.09 0.00 -1.21 0.00 0.00 61.69 62.24 1x64 s THR 13 Cb -0.04 -4.09 -0.13 0.00 -1.51 0.00 0.00 72.50 66.73 1x64 s THR 13 CO -0.00 -0.10 0.08 2.29 -2.21 0.00 0.00 174.62 174.67 1x64 n LYS 14 N 6.09 1.96 -1.94 7.08 2.85 -1.26 -5.01 118.16 127.93 1x64 n LYS 14 Ca 0.12 -0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.96 1x64 n LYS 14 Cb 0.46 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 1x64 n LYS 14 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1x64 s VAL 15 N -2.34 2.38 0.26 0.58 -7.23 -1.26 -5.01 120.40 107.78 1x64 s VAL 15 Ca -0.05 0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 60.25 1x64 s VAL 15 Cb 0.04 -3.20 0.04 0.00 0.56 0.00 0.00 36.38 33.82 1x64 s VAL 15 CO 0.41 0.05 0.83 -1.38 -0.31 0.00 0.00 175.10 174.70 1x64 s HIS 16 N -1.23 -0.08 0.00 2.82 -3.43 -1.26 -5.18 115.29 106.92 1x64 s HIS 16 Ca 0.58 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 1x64 s HIS 16 Cb -0.41 0.72 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1x64 s HIS 16 CO 0.52 -1.17 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 1x64 n GLY 17 N -0.50 3.96 0.00 -1.38 0.00 -1.26 -5.11 105.19 100.90 1x64 n GLY 17 Ca -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.92 -2.10 3.28 -0.02 0.00 -1.26 -5.13 105.19 98.05 1x64 n GLY 18 Ca 0.00 1.02 -0.39 0.00 0.00 0.00 0.00 46.02 46.65 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 3.17 0.00 4.61 0.00 -1.26 -4.88 121.76 123.40 1x64 s ALA 19 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.05 1x64 s ALA 19 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1x64 s ALA 19 CO 0.00 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.70 1x64 n GLY 20 N 4.87 -1.24 3.16 0.00 0.00 -1.26 -5.16 105.19 105.55 1x64 n GLY 20 Ca -0.11 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 21 N 0.00 -0.47 1.10 1.61 0.15 -1.26 -5.12 113.70 109.71 1x64 s SER 21 Ca 0.00 0.76 -0.17 0.00 0.70 0.00 0.00 55.95 57.24 1x64 s SER 21 Cb 0.00 1.60 0.24 0.00 -1.71 0.00 0.00 66.02 66.15 1x64 s SER 21 CO 0.00 -0.26 1.15 0.00 1.20 0.00 0.00 173.24 175.33 1x64 s ALA 22 N 2.69 1.08 -0.34 5.45 0.00 -1.26 -4.98 121.76 124.40 1x64 s ALA 22 Ca 0.09 -0.90 0.15 0.00 0.00 0.00 0.00 51.96 51.31 1x64 s ALA 22 Cb -0.14 -2.90 0.50 0.00 0.00 0.00 0.00 23.12 20.57 1x64 s ALA 22 CO -0.17 -3.16 1.40 0.94 0.00 0.00 0.00 175.76 174.78 1x64 n GLN 23 N -4.41 2.98 -0.07 0.00 7.27 -1.26 -4.55 117.38 117.35 1x64 n GLN 23 Ca 0.12 -2.70 0.01 0.00 0.07 0.00 0.00 57.00 54.50 1x64 n GLN 23 Cb 0.59 -1.75 0.04 0.00 2.41 0.00 0.00 30.24 31.53 1x64 n GLN 23 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1x64 n ARG 24 N -0.26 1.30 -3.55 3.69 3.00 -1.26 -4.80 116.66 114.77 1x64 n ARG 24 Ca 0.20 -0.32 -0.15 0.00 -0.01 0.00 0.00 57.85 57.57 1x64 n ARG 24 Cb 0.81 -1.32 -0.05 0.00 0.00 0.00 0.00 32.46 31.90 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 -1.55 1.05 0.37 5.56 0.23 -1.26 -5.11 119.30 118.60 1x64 s MET 25 Ca 0.06 -0.13 -0.26 0.00 -1.03 0.00 0.00 55.69 54.32 1x64 s MET 25 Cb 0.04 0.49 -0.09 0.00 -1.53 0.00 0.00 34.83 33.73 1x64 s MET 25 CO 0.03 -0.37 1.20 -1.25 -2.03 0.00 0.00 175.02 172.59 1x64 s PRO 26 N -2.22 4.16 -0.25 3.16 0.04 -1.26 -4.80 135.00 133.84 1x64 s PRO 26 Ca -0.06 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1x64 s PRO 26 Cb -0.01 -2.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 1x64 s PRO 26 CO 0.00 -0.25 0.18 -1.17 0.04 0.00 0.00 177.00 175.80 1x64 s LEU 27 N -2.24 4.08 0.98 -3.56 1.98 -1.26 -1.81 118.68 116.84 1x64 s LEU 27 Ca 0.54 0.08 -0.14 0.00 -2.89 0.00 0.00 54.13 51.72 1x64 s LEU 27 Cb -0.33 -2.12 0.04 0.00 0.66 0.00 0.00 46.19 44.44 1x64 s LEU 27 CO 0.42 0.02 0.32 0.00 -1.89 0.00 0.00 176.35 175.22 1x64 n ASP 29 N -1.26 2.59 0.08 0.00 2.03 -1.25 -3.31 116.55 115.43 1x64 n ASP 29 Ca 0.06 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.24 1x64 n ASP 29 Cb 0.55 0.83 -0.08 0.00 -0.72 0.00 0.00 41.12 41.70 1x64 n ASP 29 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1x64 h LYS 30 N 0.00 -0.22 0.00 -0.67 1.63 -1.93 -3.39 116.57 112.00 1x64 h LYS 30 Ca -0.23 0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.40 1x64 h LYS 30 Cb 1.47 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 33.11 1x64 h LYS 30 CO 0.01 0.16 -1.70 0.00 -3.45 0.00 0.00 179.45 174.47 1x64 n GLY 32 N 2.35 0.80 3.41 0.00 0.00 -1.21 -5.03 105.19 105.51 1x64 n GLY 32 Ca -0.16 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.00 4.79 -0.03 1.61 0.01 -1.26 -4.73 113.70 111.09 1x64 s SER 33 Ca 0.00 -0.26 -0.19 0.00 1.31 0.00 0.00 55.95 56.81 1x64 s SER 33 Cb -0.00 -1.84 -0.09 0.00 0.21 0.00 0.00 66.02 64.30 1x64 s SER 33 CO 0.00 0.00 0.53 0.61 0.41 0.00 0.00 173.24 174.80 1x64 n GLY 34 N 4.65 -0.10 3.54 3.44 0.00 -1.26 -3.90 105.19 111.56 1x64 n GLY 34 Ca -0.17 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 0.17 4.76 -0.23 -0.61 1.01 -0.75 -4.91 121.20 120.64 1x64 s ILE 35 Ca 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 1x64 s ILE 35 Cb -0.61 -3.22 0.12 0.00 0.01 0.00 0.00 42.46 38.77 1x64 s ILE 35 CO 0.28 0.34 0.39 0.54 0.00 0.00 0.00 174.94 176.48 1x64 s VAL 36 N 1.37 -0.61 0.00 2.92 0.11 -1.26 -4.16 120.40 118.76 1x64 s VAL 36 Ca 0.06 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1x64 s VAL 36 Cb -0.15 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1x64 s VAL 36 CO 0.05 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 1x64 n GLY 37 N 5.37 3.06 3.51 6.54 0.00 -1.26 -5.02 105.19 117.39 1x64 n GLY 37 Ca -0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.05 -1.72 0.14 4.61 0.00 -1.26 -5.17 121.76 118.32 1x64 s ALA 38 Ca 0.00 2.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.99 1x64 s ALA 38 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1x64 s ALA 38 CO 0.00 -0.87 0.07 0.54 0.00 0.00 0.00 175.76 175.50 1x64 s VAL 39 N 2.79 0.09 -0.28 0.00 0.11 -1.26 -4.30 120.40 117.56 1x64 s VAL 39 Ca -0.04 -1.93 -0.02 0.00 -2.93 0.00 0.00 61.98 57.06 1x64 s VAL 39 Cb -0.12 -2.13 0.09 0.00 -1.53 0.00 0.00 36.38 32.69 1x64 s VAL 39 CO -0.17 -0.38 0.09 -0.69 -3.33 0.00 0.00 175.10 170.63 1x64 s VAL 40 N -4.06 0.60 -0.23 2.04 1.01 0.52 -4.78 120.40 115.49 1x64 s VAL 40 Ca 0.27 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1x64 s VAL 40 Cb 0.07 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1x64 s VAL 40 CO 0.04 -0.58 -0.00 -0.75 0.00 0.00 0.00 175.10 173.80 1x64 s LYS 41 N 1.77 3.49 0.00 2.72 2.20 -1.26 0.95 119.74 129.62 1x64 s LYS 41 Ca 0.07 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 1x64 s LYS 41 Cb -0.17 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1x64 s LYS 41 CO -0.24 -0.16 0.03 0.00 -0.36 0.00 0.00 175.35 174.62 1x64 n ALA 42 N 4.75 0.00 -1.05 3.13 0.00 -1.17 -4.95 120.51 121.22 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.49 0.00 -0.00 0.00 1.74 -1.26 -4.93 116.66 111.71 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 -0.05 -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 -0.40 -1.52 0.00 0.00 177.63 175.71 1x64 n ASP 44 N -1.32 4.51 -4.93 0.55 5.75 -1.26 -5.05 116.55 114.80 1x64 n ASP 44 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.53 1x64 n ASP 44 Cb 0.00 1.03 0.04 0.00 -1.03 0.00 0.00 41.12 41.16 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1x64 s LYS 45 N -2.14 2.63 0.07 0.11 1.02 -1.26 -5.10 119.74 115.07 1x64 s LYS 45 Ca -0.01 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.77 1x64 s LYS 45 Cb 0.01 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1x64 s LYS 45 CO 0.09 -0.84 -0.15 0.71 -0.92 0.00 0.00 175.35 174.24 1x64 s TYR 46 N -2.99 1.26 -0.07 3.18 1.51 -1.26 -3.05 117.35 115.92 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 41.05 1x64 s TYR 46 CO 0.43 0.06 0.25 1.03 -1.11 0.00 0.00 175.55 176.22 1x64 s ARG 47 N -1.60 0.39 0.98 -0.62 1.81 0.27 -3.82 118.95 116.36 1x64 s ARG 47 Ca -0.01 0.17 -0.12 0.00 -1.72 0.00 0.00 55.73 54.05 1x64 s ARG 47 Cb -0.09 0.18 0.11 0.00 -0.45 0.00 0.00 34.95 34.69 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 2.46 -0.62 0.48 -0.53 8.25 -1.26 0.20 115.22 124.20 1x64 n HIS 48 Ca -0.16 0.25 0.07 0.00 -0.26 0.00 0.00 57.72 57.62 1x64 n HIS 48 Cb 0.57 -1.83 0.31 0.00 1.12 0.00 0.00 29.99 30.16 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 -2.95 0.01 -0.01 -0.41 -0.04 -1.26 -2.22 135.00 128.12 1x64 n PRO 49 Ca 0.08 0.26 -0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1x64 n PRO 49 Cb 0.54 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.53 2.76 0.01 0.54 0.28 -1.26 -4.68 120.64 116.76 1x64 n GLU 50 Ca 0.03 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.92 1x64 n GLU 50 Cb 0.17 -1.05 0.04 0.00 1.43 0.00 0.00 31.44 32.02 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 -3.93 1.23 -3.84 0.00 7.35 -0.94 -4.84 117.46 112.49 1x64 n PHE 52 Ca -0.04 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.81 1x64 n PHE 52 Cb 0.64 -2.54 -0.01 0.00 0.35 0.00 0.00 39.48 37.92 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 10.08 0.00 1.01 -2.13 -7.23 -1.26 -3.22 120.40 117.65 1x64 s VAL 53 Ca 1.12 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 1x64 s VAL 53 Cb -0.65 -2.25 0.20 0.00 0.56 0.00 0.00 36.38 34.23 1x64 s VAL 53 CO 0.38 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.26 1x64 n ALA 55 N -4.26 3.16 -0.04 0.00 0.00 -1.22 -2.93 120.51 115.22 1x64 n ALA 55 Ca 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 1x64 n ALA 55 Cb 0.56 -0.59 -0.03 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 -0.03 3.44 -0.00 0.00 -0.08 -1.26 -4.78 116.55 113.84 1x64 n ASP 56 Ca 0.07 -0.04 0.01 0.00 -1.51 0.00 0.00 54.79 53.32 1x64 n ASP 56 Cb 0.36 -0.09 -0.01 0.00 2.34 0.00 0.00 41.12 43.72 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 -1.12 -3.91 -4.75 0.00 2.85 -1.15 -4.87 115.26 102.31 1x64 n ASN 58 Ca 0.00 -0.52 -0.38 0.00 -0.11 0.00 0.00 54.58 53.57 1x64 n ASN 58 Cb 0.04 -4.58 -0.06 0.00 1.24 0.00 0.00 39.78 36.42 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 -6.24 4.34 -0.43 1.20 0.20 -1.26 -4.34 118.68 112.16 1x64 s LEU 59 Ca 0.25 0.96 -0.31 0.00 0.69 0.00 0.00 54.13 55.72 1x64 s LEU 59 Cb -0.11 -2.77 -0.10 0.00 -0.43 0.00 0.00 46.19 42.77 1x64 s LEU 59 CO 0.65 0.06 2.31 -3.20 -0.29 0.00 0.00 176.35 175.88 1x64 n ASN 60 N 3.18 2.21 -0.91 3.68 2.85 -1.26 -0.82 115.26 124.20 1x64 n ASN 60 Ca -0.07 0.11 0.04 0.00 -0.11 0.00 0.00 54.58 54.55 1x64 n ASN 60 Cb 0.51 -1.37 0.17 0.00 1.24 0.00 0.00 39.78 40.33 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 11.84 2.55 0.13 1.20 4.77 -1.20 -4.22 117.00 132.07 1x64 n LEU 61 Ca 0.41 -1.29 -0.05 0.00 -0.03 0.00 0.00 56.01 55.05 1x64 n LEU 61 Cb 0.33 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1x64 n LEU 61 CO 0.75 0.43 0.39 0.50 -1.33 0.00 0.00 177.39 178.13 1x64 h LYS 62 N 1.86 -0.33 0.02 3.23 1.63 -1.86 -3.34 116.57 117.78 1x64 h LYS 62 Ca 0.00 0.02 -0.23 0.00 -0.85 0.00 0.00 60.65 59.60 1x64 h LYS 62 Cb 0.86 0.07 0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1x64 h LYS 62 CO 0.13 -0.22 -0.90 -0.56 -3.45 0.00 0.00 179.45 174.45 1x64 h GLN 63 N -0.42 0.57 -6.93 1.90 3.07 -1.99 -3.46 115.11 107.86 1x64 h GLN 63 Ca -0.03 -0.64 -0.51 0.00 0.09 0.00 0.00 58.65 57.55 1x64 h GLN 63 Cb 0.26 0.19 0.05 0.00 0.08 0.00 0.00 27.48 28.06 1x64 h GLN 63 CO 0.06 1.25 0.52 0.15 0.09 0.00 0.00 178.83 180.90 1x64 s LYS 64 N -3.19 4.12 -0.63 0.06 1.02 -1.26 -4.86 119.74 115.00 1x64 s LYS 64 Ca -0.11 1.90 -0.28 0.00 0.02 0.00 0.00 55.97 57.49 1x64 s LYS 64 Cb 0.05 -2.76 -0.12 0.00 -0.52 0.00 0.00 37.83 34.49 1x64 s LYS 64 CO 0.88 -0.28 2.49 0.41 -0.92 0.00 0.00 175.35 177.93 1x64 n GLY 65 N 0.69 0.02 3.47 -3.33 0.00 -1.26 -4.71 105.19 100.06 1x64 n GLY 65 Ca 0.03 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.59 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 10.95 1.04 0.31 1.61 -0.85 -1.25 -4.04 117.35 125.13 1x64 s TYR 66 Ca 1.10 1.00 0.05 0.00 -0.52 0.00 0.00 57.07 58.70 1x64 s TYR 66 Cb -0.54 -3.08 -0.03 0.00 0.38 0.00 0.00 41.96 38.69 1x64 s TYR 66 CO 0.34 -4.04 0.28 -0.06 -1.52 0.00 0.00 175.55 170.56 1x64 s PHE 67 N -2.49 1.57 -0.28 -3.49 0.40 -1.14 -4.92 117.98 107.63 1x64 s PHE 67 Ca 0.68 -1.57 0.00 0.00 -0.60 0.00 0.00 56.93 55.45 1x64 s PHE 67 Cb -0.22 -0.60 0.15 0.00 0.51 0.00 0.00 43.02 42.85 1x64 s PHE 67 CO 0.63 -0.87 0.37 -0.06 0.70 0.00 0.00 175.22 175.98 1x64 s PHE 68 N -3.51 -0.80 -0.22 0.36 0.08 -1.26 -4.08 117.98 108.54 1x64 s PHE 68 Ca 0.39 0.26 -0.00 0.00 0.12 0.00 0.00 56.93 57.70 1x64 s PHE 68 Cb 0.03 -0.22 0.06 0.00 -0.57 0.00 0.00 43.02 42.32 1x64 s PHE 68 CO 0.24 -0.91 -0.03 0.08 -0.10 0.00 0.00 175.22 174.50 1x64 s VAL 69 N 2.49 1.25 -1.04 -0.44 1.01 0.14 -4.76 120.40 119.05 1x64 s VAL 69 Ca 0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1x64 s VAL 69 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1x64 s VAL 69 CO -0.28 -0.13 0.41 -0.62 0.00 0.00 0.00 175.10 174.48 1x64 n GLU 70 N 4.78 -3.31 0.00 2.72 1.02 -1.26 -2.27 120.64 122.32 1x64 n GLU 70 Ca -0.11 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1x64 n GLU 70 Cb 0.45 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 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 -1.27 2.94 3.88 0.62 0.00 -1.26 -4.98 105.19 105.11 1x64 n GLY 71 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 3.74 0.37 1.61 2.56 -0.96 -5.05 118.70 120.94 1x64 s GLU 72 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 54.97 55.26 1x64 s GLU 72 Cb 0.00 -2.54 -0.02 0.00 2.00 0.00 0.00 34.13 33.57 1x64 s GLU 72 CO 0.00 0.14 0.57 -0.51 -0.56 0.00 0.00 175.26 174.89 1x64 s LEU 73 N -3.49 3.90 0.10 2.70 1.43 -1.26 -0.68 118.68 121.38 1x64 s LEU 73 Ca 0.48 0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 1x64 s LEU 73 Cb -0.11 -3.16 0.08 0.00 0.03 0.00 0.00 46.19 43.03 1x64 s LEU 73 CO 0.28 -0.43 0.70 -0.31 0.23 0.00 0.00 176.35 176.81 1x64 s TYR 74 N -2.36 -0.48 0.57 0.29 2.02 -1.26 -3.37 117.35 112.76 1x64 s TYR 74 Ca 0.43 0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 57.34 1x64 s TYR 74 Cb -0.10 0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 41.96 1x64 s TYR 74 CO 0.36 -0.74 0.97 0.00 -1.57 0.00 0.00 175.55 174.57 1x64 h GLU 76 N 0.05 0.20 0.00 0.00 4.81 -1.92 0.39 114.58 118.11 1x64 h GLU 76 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1x64 h GLU 76 Cb 1.19 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1x64 h GLU 76 CO 0.62 0.13 0.00 2.41 -0.73 0.00 0.00 179.01 181.44 1x64 n THR 77 N -4.48 0.00 0.36 0.32 -1.04 -1.26 -2.24 114.28 105.93 1x64 n THR 77 Ca 0.28 1.09 -0.19 0.00 -2.04 0.00 0.00 64.05 63.20 1x64 n THR 77 Cb 1.13 -2.05 -0.09 0.00 -1.82 0.00 0.00 70.33 67.50 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 -1.25 -0.97 -1.42 3.86 -1.83 -2.96 115.15 110.58 1x64 h HIS 78 Ca 0.00 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 1x64 h HIS 78 Cb 0.00 0.46 -0.15 0.00 1.06 0.00 0.00 27.41 28.78 1x64 h HIS 78 CO 0.13 -0.67 -0.43 0.00 0.86 0.00 0.00 177.93 177.82 1x64 n ALA 79 N -2.73 -0.25 -0.34 2.45 0.00 0.13 0.14 120.51 119.91 1x64 n ALA 79 Ca -0.13 0.93 0.23 0.00 0.00 0.00 0.00 53.44 54.47 1x64 n ALA 79 Cb 0.46 -0.36 0.48 0.00 0.00 0.00 0.00 19.45 20.04 1x64 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x64 h ARG 80 N 0.00 0.40 0.00 0.00 3.08 -1.29 1.20 114.38 117.78 1x64 h ARG 80 Ca 0.29 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1x64 h ARG 80 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1x64 h ARG 80 CO -0.95 0.26 -0.21 0.00 -1.07 0.00 0.00 179.97 178.00 1x64 h ALA 81 N 1.69 0.93 0.01 0.04 0.00 0.13 -1.21 119.26 120.85 1x64 h ALA 81 Ca 0.66 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1x64 h ALA 81 Cb 1.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1x64 h ALA 81 CO -0.41 0.26 -0.00 0.00 0.00 0.00 0.00 179.25 179.09 1x64 h ARG 82 N 0.00 -0.01 -0.46 0.00 3.08 0.25 -3.36 114.38 113.88 1x64 h ARG 82 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1x64 h ARG 82 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1x64 h ARG 82 CO 0.03 -0.01 0.17 0.00 -1.07 0.00 0.00 179.97 179.09 1x64 h THR 83 N -0.47 1.18 -4.03 2.04 1.03 -1.26 -3.46 112.91 107.93 1x64 h THR 83 Ca -0.00 -0.57 -0.35 0.00 -0.01 0.00 0.00 66.41 65.49 1x64 h THR 83 Cb 0.01 0.64 -0.01 0.00 -1.07 0.00 0.00 68.15 67.72 1x64 h THR 83 CO 0.00 0.22 -0.47 -0.24 -0.01 0.00 0.00 175.52 175.02 1x64 n SER 84 N -4.35 -4.86 0.00 0.00 2.88 -0.46 -4.88 113.62 101.96 1x64 n SER 84 Ca 0.03 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1x64 n SER 84 Cb 0.16 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.58 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x64 n GLY 85 N -1.07 -0.33 0.00 0.46 0.00 -1.26 -4.62 105.19 98.37 1x64 n GLY 85 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.35 0.49 -3.57 1.61 -0.04 -1.26 -4.75 135.00 125.13 1x64 n PRO 86 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1x64 n PRO 86 Cb 0.00 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 1x64 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x64 s SER 87 N -1.73 -0.30 -0.14 3.54 0.15 -1.26 -5.12 113.70 108.83 1x64 s SER 87 Ca 0.11 -0.09 -0.09 0.00 0.70 0.00 0.00 55.95 56.58 1x64 s SER 87 Cb 0.05 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.80 1x64 s SER 87 CO 0.08 -0.65 0.35 -0.55 1.20 0.00 0.00 173.24 173.66 1x64 s SER 88 N -2.58 -0.41 0.00 5.45 0.15 -1.26 -4.38 113.70 110.68 1x64 s SER 88 Ca 0.07 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1x64 s SER 88 Cb -0.01 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1x64 s SER 88 CO -0.06 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.82