#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 7.31 -0.19 1.61 0.15 -1.26 -4.98 113.70 116.34 1x64 s SER 2 Ca 0.00 2.09 -0.17 0.00 0.70 0.00 0.00 55.95 58.57 1x64 s SER 2 Cb 0.00 -2.61 -0.13 0.00 -1.71 0.00 0.00 66.02 61.58 1x64 s SER 2 CO 0.00 -0.17 -0.00 -0.24 1.20 0.00 0.00 173.24 174.03 1x64 n SER 3 N 2.14 1.86 0.00 5.45 2.88 -1.26 -5.11 113.62 119.58 1x64 n SER 3 Ca 0.02 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1x64 n SER 3 Cb 0.46 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1x64 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x64 n GLY 4 N 1.47 -0.66 3.32 0.46 0.00 -1.26 -5.01 105.19 103.51 1x64 n GLY 4 Ca -0.26 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1x64 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 5 N -2.68 3.06 -0.09 1.61 0.15 -1.26 -5.13 113.70 109.36 1x64 s SER 5 Ca 0.00 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.03 1x64 s SER 5 Cb 0.00 -0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.02 1x64 s SER 5 CO 0.00 0.29 0.29 -0.55 1.20 0.00 0.00 173.24 174.47 1x64 s SER 6 N -0.86 -0.27 0.26 5.45 0.15 -1.26 -5.17 113.70 112.00 1x64 s SER 6 Ca 0.11 0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.27 1x64 s SER 6 Cb -0.10 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 1x64 s SER 6 CO 0.00 -0.18 0.01 -0.83 1.20 0.00 0.00 173.24 173.44 1x64 s GLY 7 N -0.18 1.74 0.37 9.45 0.00 -1.26 -5.17 107.32 112.28 1x64 s GLY 7 Ca -0.03 -1.87 0.04 0.00 0.00 0.00 0.00 44.72 42.86 1x64 s GLY 7 CO 0.01 -1.73 0.07 -1.34 0.00 0.00 0.00 173.10 170.11 1x64 s VAL 8 N -3.34 1.05 0.01 1.40 -7.23 -1.26 -5.17 120.40 105.86 1x64 s VAL 8 Ca 0.31 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1x64 s VAL 8 Cb 0.06 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1x64 s VAL 8 CO 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.87 1x64 s ARG 9 N -3.82 0.23 -0.25 4.82 1.04 -1.26 -5.13 118.95 114.57 1x64 s ARG 9 Ca 0.30 -0.23 -0.02 0.00 -1.04 0.00 0.00 55.73 54.73 1x64 s ARG 9 Cb 0.06 -0.13 0.12 0.00 -2.04 0.00 0.00 34.95 32.96 1x64 s ARG 9 CO 0.14 0.03 0.30 0.00 -0.04 0.00 0.00 175.30 175.73 1x64 s ALA 10 N -0.42 -0.58 1.07 7.88 0.00 -1.26 -5.16 121.76 123.30 1x64 s ALA 10 Ca -0.03 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 1x64 s ALA 10 Cb -0.03 -1.65 0.23 0.00 0.00 0.00 0.00 23.12 21.66 1x64 s ALA 10 CO -0.00 -1.47 1.10 -1.25 0.00 0.00 0.00 175.76 174.13 1x64 s PRO 11 N 2.40 -0.18 -0.11 0.00 0.04 -1.26 -5.07 135.00 130.82 1x64 s PRO 11 Ca 0.09 0.31 -0.00 0.00 0.04 0.00 0.00 61.00 61.44 1x64 s PRO 11 Cb -0.15 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1x64 s PRO 11 CO -0.23 -3.10 -0.08 0.08 0.04 0.00 0.00 177.00 173.72 1x64 s VAL 12 N -2.98 1.02 0.39 -0.36 1.01 -1.26 -5.14 120.40 113.09 1x64 s VAL 12 Ca 0.67 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1x64 s VAL 12 Cb -0.16 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1x64 s VAL 12 CO 0.57 0.37 -0.01 0.42 0.00 0.00 0.00 175.10 176.45 1x64 s THR 13 N 1.67 2.08 0.06 3.92 -4.23 -1.26 -5.16 115.64 112.72 1x64 s THR 13 Ca 0.04 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1x64 s THR 13 Cb -0.13 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1x64 s THR 13 CO -0.08 -0.05 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.15 1x64 s LYS 14 N -3.69 0.64 -0.12 3.99 2.47 -1.26 -5.15 119.74 116.62 1x64 s LYS 14 Ca 0.35 -1.10 -0.01 0.00 -1.56 0.00 0.00 55.97 53.64 1x64 s LYS 14 Cb 0.08 -0.03 0.03 0.00 -1.46 0.00 0.00 37.83 36.45 1x64 s LYS 14 CO 0.18 -0.04 -0.04 0.08 0.16 0.00 0.00 175.35 175.68 1x64 s VAL 15 N -3.08 0.83 -0.27 4.02 1.01 -1.26 -5.10 120.40 116.56 1x64 s VAL 15 Ca 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1x64 s VAL 15 Cb 0.02 -0.95 0.15 0.00 0.00 0.00 0.00 36.38 35.61 1x64 s VAL 15 CO -0.05 0.27 0.44 -2.28 0.00 0.00 0.00 175.10 173.47 1x64 s HIS 16 N 1.78 -1.08 0.33 5.22 5.04 -1.26 -5.16 115.29 120.15 1x64 s HIS 16 Ca 0.04 0.90 0.05 0.00 -1.54 0.00 0.00 55.06 54.51 1x64 s HIS 16 Cb -0.13 0.10 -0.06 0.00 0.04 0.00 0.00 32.58 32.53 1x64 s HIS 16 CO -0.07 -0.84 0.02 0.20 -2.34 0.00 0.00 174.74 171.71 1x64 s GLY 17 N 2.62 2.08 -0.30 1.59 0.00 -1.26 -4.87 107.32 107.18 1x64 s GLY 17 Ca 0.13 -2.06 0.18 0.00 0.00 0.00 0.00 44.72 42.97 1x64 s GLY 17 CO -0.21 -1.87 1.32 0.61 0.00 0.00 0.00 173.10 172.96 1x64 n GLY 18 N -0.71 1.91 3.43 0.20 0.00 -1.26 -4.98 105.19 103.78 1x64 n GLY 18 Ca -0.04 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 n ALA 19 N -1.07 -1.33 -2.81 4.61 0.00 -1.26 -4.92 120.51 113.73 1x64 n ALA 19 Ca -0.05 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1x64 n ALA 19 Cb 0.84 -4.73 0.00 0.00 0.00 0.00 0.00 19.45 15.56 1x64 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x64 n GLY 20 N -1.79 2.84 3.57 0.00 0.00 -1.26 -5.15 105.19 103.40 1x64 n GLY 20 Ca -0.04 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1x64 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x64 n SER 21 N 0.00 0.04 -3.78 1.61 7.64 -1.26 -5.01 113.62 112.87 1x64 n SER 21 Ca 0.00 0.68 -0.28 0.00 1.01 0.00 0.00 58.87 60.27 1x64 n SER 21 Cb 0.00 -1.35 -0.16 0.00 -1.01 0.00 0.00 64.21 61.69 1x64 n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x64 s ALA 22 N -1.78 1.20 -0.03 -0.43 0.00 -1.26 -4.69 121.76 114.78 1x64 s ALA 22 Ca 0.72 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1x64 s ALA 22 Cb -0.36 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1x64 s ALA 22 CO 0.52 -1.19 -0.17 -0.65 0.00 0.00 0.00 175.76 174.26 1x64 s GLN 23 N 1.76 1.57 0.00 0.00 -0.21 -1.26 -5.01 119.66 116.51 1x64 s GLN 23 Ca -0.02 -0.62 0.24 0.00 0.02 0.00 0.00 55.36 54.98 1x64 s GLN 23 Cb -0.17 -1.45 1.02 0.00 1.00 0.00 0.00 33.01 33.40 1x64 s GLN 23 CO -0.08 0.32 1.70 -2.13 -2.12 0.00 0.00 175.29 172.99 1x64 n ARG 24 N 2.85 1.52 -3.69 2.91 0.63 -1.26 -4.80 116.66 114.82 1x64 n ARG 24 Ca -0.16 -0.77 -0.11 0.00 -0.92 0.00 0.00 57.85 55.90 1x64 n ARG 24 Cb 0.53 -1.41 -0.10 0.00 0.45 0.00 0.00 32.46 31.93 1x64 n ARG 24 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1x64 s MET 25 N -1.91 0.48 0.38 -0.14 0.00 -1.26 -5.12 119.30 111.73 1x64 s MET 25 Ca 0.35 0.83 -0.26 0.00 0.00 0.00 0.00 55.69 56.60 1x64 s MET 25 Cb 0.18 0.07 -0.09 0.00 0.00 0.00 0.00 34.83 35.00 1x64 s MET 25 CO 0.29 -0.13 1.20 -1.25 0.00 0.00 0.00 175.02 175.12 1x64 s PRO 26 N 1.16 4.16 -0.35 4.11 0.04 -1.26 -4.84 135.00 138.02 1x64 s PRO 26 Ca -0.07 1.93 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1x64 s PRO 26 Cb -0.07 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1x64 s PRO 26 CO -0.11 -0.26 0.25 -1.17 0.04 0.00 0.00 177.00 175.76 1x64 s LEU 27 N -2.26 4.58 -0.25 -3.56 1.98 -1.26 -2.14 118.68 115.77 1x64 s LEU 27 Ca 0.54 -0.46 -0.35 0.00 -2.89 0.00 0.00 54.13 50.97 1x64 s LEU 27 Cb -0.33 -2.15 -0.12 0.00 0.66 0.00 0.00 46.19 44.25 1x64 s LEU 27 CO 0.42 -0.26 2.01 0.00 -1.89 0.00 0.00 176.35 176.63 1x64 n ASP 29 N 8.11 0.00 -0.10 0.00 8.00 -1.19 0.15 116.55 131.52 1x64 n ASP 29 Ca 0.32 -0.52 -0.16 0.00 0.71 0.00 0.00 54.79 55.14 1x64 n ASP 29 Cb 0.24 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.02 0.54 -0.29 -1.24 3.00 -1.26 -4.63 118.16 113.26 1x64 n LYS 30 Ca 0.13 0.30 0.07 0.00 -0.00 0.00 0.00 58.31 58.81 1x64 n LYS 30 Cb 0.07 -1.51 0.20 0.00 0.00 0.00 0.00 35.03 33.78 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 -0.04 -0.25 3.09 0.00 0.00 0.40 -4.89 105.19 103.52 1x64 n GLY 32 Ca 0.16 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.26 2.61 0.29 1.61 0.01 -1.24 -4.82 113.70 108.89 1x64 s SER 33 Ca 0.45 -0.47 -0.14 0.00 1.31 0.00 0.00 55.95 57.10 1x64 s SER 33 Cb -0.26 -1.18 -0.10 0.00 0.21 0.00 0.00 66.02 64.68 1x64 s SER 33 CO 0.82 0.04 0.02 0.61 0.41 0.00 0.00 173.24 175.15 1x64 n GLY 34 N 4.09 -1.90 3.10 3.44 0.00 -1.26 -3.39 105.19 109.26 1x64 n GLY 34 Ca -0.19 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.17 2.17 -0.18 -0.61 1.01 -0.91 -4.82 121.20 116.69 1x64 s ILE 35 Ca 0.39 -1.35 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 1x64 s ILE 35 Cb -0.40 -2.14 0.06 0.00 0.01 0.00 0.00 42.46 39.99 1x64 s ILE 35 CO 0.42 0.19 0.04 -0.69 0.00 0.00 0.00 174.94 174.90 1x64 s VAL 36 N 1.18 0.44 0.00 2.92 1.01 -1.26 -4.45 120.40 120.24 1x64 s VAL 36 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1x64 s VAL 36 Cb -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1x64 s VAL 36 CO -0.08 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1x64 n GLY 37 N 5.09 2.75 2.76 4.51 0.00 -1.26 -5.04 105.19 114.00 1x64 n GLY 37 Ca -0.09 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 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 0.09 0.13 4.61 0.00 -1.26 -5.15 121.76 120.18 1x64 s ALA 38 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1x64 s ALA 38 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1x64 s ALA 38 CO 0.00 -0.19 0.01 0.54 0.00 0.00 0.00 175.76 176.12 1x64 s VAL 39 N 1.30 0.40 -0.28 0.00 0.11 -1.26 -4.22 120.40 116.45 1x64 s VAL 39 Ca -0.06 -1.92 -0.02 0.00 -2.93 0.00 0.00 61.98 57.04 1x64 s VAL 39 Cb -0.13 -1.95 0.09 0.00 -1.53 0.00 0.00 36.38 32.87 1x64 s VAL 39 CO -0.03 -0.60 0.10 -0.69 -3.33 0.00 0.00 175.10 170.54 1x64 s VAL 40 N -3.84 0.46 -0.24 2.04 1.01 0.56 -4.76 120.40 115.63 1x64 s VAL 40 Ca 0.20 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1x64 s VAL 40 Cb 0.07 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1x64 s VAL 40 CO -0.00 -0.60 0.03 -0.75 0.00 0.00 0.00 175.10 173.78 1x64 s LYS 41 N 1.84 3.56 0.00 2.72 2.20 -1.26 0.61 119.74 129.41 1x64 s LYS 41 Ca 0.07 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1x64 s LYS 41 Cb -0.17 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1x64 s LYS 41 CO -0.26 -0.19 0.00 0.00 -0.36 0.00 0.00 175.35 174.55 1x64 n ALA 42 N 4.88 -0.00 -1.12 3.13 0.00 -1.18 -4.95 120.51 121.26 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 -0.60 0.00 -0.00 0.00 1.74 -1.26 -4.94 116.66 111.60 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 -0.03 -0.02 0.00 -1.02 0.00 0.00 32.46 31.39 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 -1.23 4.50 -4.94 0.55 8.00 -1.26 -5.05 116.55 117.12 1x64 n ASP 44 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1x64 n ASP 44 Cb 0.00 1.06 0.04 0.00 -0.02 0.00 0.00 41.12 42.20 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1x64 s LYS 45 N -2.15 2.68 0.05 -1.24 1.02 -1.26 -5.11 119.74 113.74 1x64 s LYS 45 Ca -0.01 -0.30 0.05 0.00 0.02 0.00 0.00 55.97 55.73 1x64 s LYS 45 Cb 0.01 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1x64 s LYS 45 CO 0.09 -0.77 -0.14 0.71 -0.92 0.00 0.00 175.35 174.32 1x64 s TYR 46 N -2.94 1.23 -0.07 3.18 1.51 -1.26 -3.08 117.35 115.92 1x64 s TYR 46 Ca 0.55 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 56.13 1x64 s TYR 46 Cb -0.10 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1x64 s TYR 46 CO 0.42 0.04 0.25 1.03 -1.11 0.00 0.00 175.55 176.19 1x64 s ARG 47 N -1.31 0.40 1.00 -0.62 1.81 0.20 -3.17 118.95 117.27 1x64 s ARG 47 Ca 0.01 0.14 -0.13 0.00 -1.72 0.00 0.00 55.73 54.03 1x64 s ARG 47 Cb -0.08 0.19 0.12 0.00 -0.45 0.00 0.00 34.95 34.72 1x64 s ARG 47 CO 0.02 -0.08 0.66 0.72 -0.68 0.00 0.00 175.30 175.94 1x64 n HIS 48 N 2.39 -0.70 0.45 -0.53 8.25 -1.26 0.21 115.22 124.03 1x64 n HIS 48 Ca -0.16 0.22 0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1x64 n HIS 48 Cb 0.57 -1.81 0.37 0.00 1.12 0.00 0.00 29.99 30.25 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 -3.01 0.07 -0.00 -0.41 -0.04 -1.26 -2.19 135.00 128.16 1x64 n PRO 49 Ca 0.07 0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.86 1x64 n PRO 49 Cb 0.54 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.76 0.63 0.08 0.54 0.28 -1.26 -4.67 120.64 114.47 1x64 n GLU 50 Ca 0.03 -0.02 -0.17 0.00 -0.16 0.00 0.00 57.16 56.84 1x64 n GLU 50 Cb 0.19 -1.06 -0.09 0.00 1.43 0.00 0.00 31.44 31.91 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 -3.74 1.21 -3.91 0.00 7.35 -0.93 -4.84 117.46 112.59 1x64 n PHE 52 Ca -0.09 0.22 -0.10 0.00 -0.76 0.00 0.00 57.45 56.71 1x64 n PHE 52 Cb 0.91 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 38.18 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 10.35 0.00 0.94 -2.13 -7.23 -1.26 -3.12 120.40 117.96 1x64 s VAL 53 Ca 1.12 -1.21 -0.12 0.00 -1.81 0.00 0.00 61.98 59.96 1x64 s VAL 53 Cb -0.62 -2.59 0.16 0.00 0.56 0.00 0.00 36.38 33.88 1x64 s VAL 53 CO 0.37 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 176.27 1x64 n ALA 55 N -3.94 3.85 -0.08 0.00 0.00 -1.22 -2.92 120.51 116.21 1x64 n ALA 55 Ca 0.06 -0.44 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1x64 n ALA 55 Cb 0.58 -0.55 -0.07 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 -1.18 2.73 -0.00 0.00 2.03 -1.26 -4.73 116.55 114.13 1x64 n ASP 56 Ca 0.03 -0.08 0.02 0.00 0.52 0.00 0.00 54.79 55.28 1x64 n ASP 56 Cb 0.25 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.37 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x64 n ASN 58 N -1.27 -6.05 -4.85 0.00 2.85 -1.15 -4.88 115.26 99.91 1x64 n ASN 58 Ca 0.00 -0.50 -0.32 0.00 -0.11 0.00 0.00 54.58 53.65 1x64 n ASN 58 Cb 0.06 -4.69 -0.06 0.00 1.24 0.00 0.00 39.78 36.33 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 -6.83 4.08 -0.06 1.20 2.96 -1.26 -4.37 118.68 114.41 1x64 s LEU 59 Ca 0.54 1.22 -0.29 0.00 -0.22 0.00 0.00 54.13 55.38 1x64 s LEU 59 Cb -0.24 -4.01 -0.07 0.00 0.50 0.00 0.00 46.19 42.37 1x64 s LEU 59 CO 0.67 -0.18 1.97 0.20 -1.32 0.00 0.00 176.35 177.69 1x64 s ASN 60 N -2.28 6.22 -0.11 3.68 -0.87 -1.26 -0.92 114.94 119.41 1x64 s ASN 60 Ca 0.53 2.35 0.19 0.00 -1.57 0.00 0.00 52.86 54.35 1x64 s ASN 60 Cb -0.10 -2.53 -0.26 0.00 -0.02 0.00 0.00 41.25 38.34 1x64 s ASN 60 CO 0.18 -1.28 0.32 0.18 -2.57 0.00 0.00 177.10 173.93 1x64 n LEU 61 N 8.59 0.16 -0.16 0.60 4.77 -1.18 -3.93 117.00 125.84 1x64 n LEU 61 Ca 0.22 0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 1x64 n LEU 61 Cb 0.43 0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1x64 n LEU 61 CO 0.67 0.30 0.39 1.17 -1.33 0.00 0.00 177.39 178.58 1x64 n LYS 62 N -2.64 -0.17 0.08 3.23 3.00 -1.26 -1.44 118.16 118.98 1x64 n LYS 62 Ca -0.20 0.98 -0.22 0.00 -0.00 0.00 0.00 58.31 58.87 1x64 n LYS 62 Cb 0.94 -1.46 -0.13 0.00 0.00 0.00 0.00 35.03 34.38 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 0.60 -7.45 1.64 3.07 -1.96 -3.46 115.11 107.55 1x64 h GLN 63 Ca 0.06 -0.80 -0.41 0.00 0.09 0.00 0.00 58.65 57.58 1x64 h GLN 63 Cb 0.15 0.26 0.19 0.00 0.08 0.00 0.00 27.48 28.17 1x64 h GLN 63 CO -0.35 1.36 0.16 0.15 0.09 0.00 0.00 178.83 180.24 1x64 s LYS 64 N -2.97 -1.22 -0.55 0.06 1.02 -0.52 -4.94 119.74 110.63 1x64 s LYS 64 Ca -0.10 -0.17 -0.28 0.00 0.02 0.00 0.00 55.97 55.43 1x64 s LYS 64 Cb 0.05 -1.61 0.03 0.00 -0.52 0.00 0.00 37.83 35.78 1x64 s LYS 64 CO 0.92 -3.69 1.19 0.20 -0.92 0.00 0.00 175.35 173.05 1x64 s GLY 65 N -4.06 1.17 0.54 -3.33 0.00 -1.26 -4.79 107.32 95.59 1x64 s GLY 65 Ca 0.72 -0.73 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 1x64 s GLY 65 CO 0.56 2.49 1.01 -2.52 0.00 0.00 0.00 173.10 174.64 1x64 s TYR 66 N 4.86 3.28 0.12 1.90 -0.85 -1.26 -2.66 117.35 122.74 1x64 s TYR 66 Ca 0.45 1.49 -0.00 0.00 -0.52 0.00 0.00 57.07 58.48 1x64 s TYR 66 Cb -0.07 -2.88 -0.04 0.00 0.38 0.00 0.00 41.96 39.35 1x64 s TYR 66 CO 0.27 -0.63 0.03 -0.06 -1.52 0.00 0.00 175.55 173.64 1x64 s PHE 67 N -2.54 0.87 -0.27 -3.49 0.40 -0.68 -4.92 117.98 107.34 1x64 s PHE 67 Ca 0.61 -1.15 -0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1x64 s PHE 67 Cb -0.12 -0.51 0.09 0.00 0.51 0.00 0.00 43.02 42.99 1x64 s PHE 67 CO 0.32 -0.42 0.07 -0.06 0.70 0.00 0.00 175.22 175.83 1x64 s PHE 68 N -3.94 1.53 -0.28 0.36 0.08 -1.26 -2.79 117.98 111.68 1x64 s PHE 68 Ca 0.21 -1.48 0.03 0.00 0.12 0.00 0.00 56.93 55.81 1x64 s PHE 68 Cb 0.07 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 41.10 1x64 s PHE 68 CO -0.00 -0.80 -0.06 0.08 -0.10 0.00 0.00 175.22 174.34 1x64 s VAL 69 N 1.68 2.11 -1.13 -0.44 1.01 0.76 -4.71 120.40 119.68 1x64 s VAL 69 Ca 0.06 -1.77 -0.06 0.00 0.00 0.00 0.00 61.98 60.20 1x64 s VAL 69 Cb -0.17 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1x64 s VAL 69 CO -0.20 -0.20 0.83 -0.62 0.00 0.00 0.00 175.10 174.91 1x64 n GLU 70 N 4.42 -5.74 0.00 2.72 1.02 -1.26 -2.34 120.64 119.45 1x64 n GLU 70 Ca -0.09 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1x64 n GLU 70 Cb 0.42 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 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 -1.62 2.25 3.83 0.62 0.00 -1.26 -4.99 105.19 104.02 1x64 n GLY 71 Ca -0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 4.07 0.45 1.61 2.12 -0.99 -5.01 118.70 120.95 1x64 s GLU 72 Ca 0.00 1.02 -0.01 0.00 0.36 0.00 0.00 54.97 56.34 1x64 s GLU 72 Cb 0.00 -2.16 -0.01 0.00 0.26 0.00 0.00 34.13 32.22 1x64 s GLU 72 CO 0.00 -0.16 0.69 -0.51 -0.54 0.00 0.00 175.26 174.73 1x64 s LEU 73 N -3.68 3.65 0.08 2.70 1.43 -1.26 -0.17 118.68 121.43 1x64 s LEU 73 Ca 0.60 0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.84 1x64 s LEU 73 Cb -0.10 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.93 1x64 s LEU 73 CO 0.23 -0.67 0.70 -0.31 0.23 0.00 0.00 176.35 176.53 1x64 s TYR 74 N -2.58 -0.50 0.64 0.29 2.02 -1.12 -3.39 117.35 112.71 1x64 s TYR 74 Ca 0.48 0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 57.47 1x64 s TYR 74 Cb -0.10 0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 41.98 1x64 s TYR 74 CO 0.39 -0.73 1.02 0.00 -1.57 0.00 0.00 175.55 174.66 1x64 h GLU 76 N -0.39 0.48 0.00 0.00 4.81 -1.86 0.70 114.58 118.31 1x64 h GLU 76 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1x64 h GLU 76 Cb 1.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1x64 h GLU 76 CO 0.63 0.32 0.00 2.41 -0.73 0.00 0.00 179.01 181.63 1x64 n THR 77 N -4.74 0.00 0.22 0.32 -1.04 -1.26 -1.68 114.28 106.10 1x64 n THR 77 Ca 0.26 1.23 -0.15 0.00 -2.04 0.00 0.00 64.05 63.34 1x64 n THR 77 Cb 0.80 -2.21 -0.07 0.00 -1.82 0.00 0.00 70.33 67.02 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 -0.89 -0.69 -1.42 3.86 -1.87 -2.88 115.15 111.26 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 0.34 -0.12 0.00 1.06 0.00 0.00 27.41 28.69 1x64 h HIS 78 CO 0.16 -0.47 -0.41 0.00 0.86 0.00 0.00 177.93 178.07 1x64 h ALA 79 N -0.21 -0.17 -0.95 2.45 0.00 0.26 0.32 119.26 120.97 1x64 h ALA 79 Ca -0.02 0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.30 1x64 h ALA 79 Cb 0.63 0.95 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 1x64 h ALA 79 CO -0.05 -0.76 0.47 0.00 0.00 0.00 0.00 179.25 178.91 1x64 h ARG 80 N -0.15 0.38 -0.09 0.00 3.08 -1.13 0.85 114.38 117.32 1x64 h ARG 80 Ca 0.22 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 1x64 h ARG 80 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1x64 h ARG 80 CO -0.76 0.25 -0.23 0.00 -1.07 0.00 0.00 179.97 178.16 1x64 h ALA 81 N 1.76 1.45 0.01 0.04 0.00 -0.18 1.02 119.26 123.36 1x64 h ALA 81 Ca 0.63 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1x64 h ALA 81 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x64 h ALA 81 CO -0.56 0.39 -0.01 0.00 0.00 0.00 0.00 179.25 179.08 1x64 h ARG 82 N 0.15 -0.02 -0.40 0.00 3.08 0.13 -3.38 114.38 113.93 1x64 h ARG 82 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1x64 h ARG 82 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1x64 h ARG 82 CO 0.03 -0.01 -0.15 0.00 -1.07 0.00 0.00 179.97 178.77 1x64 h THR 83 N -0.51 1.28 -6.37 2.04 1.03 -0.88 -3.47 112.91 106.02 1x64 h THR 83 Ca -0.00 -1.27 -0.49 0.00 -0.01 0.00 0.00 66.41 64.64 1x64 h THR 83 Cb 0.02 1.26 -0.06 0.00 -1.07 0.00 0.00 68.15 68.29 1x64 h THR 83 CO 0.00 0.43 -0.77 -1.54 -0.01 0.00 0.00 175.52 173.63 1x64 n SER 84 N -4.28 -4.65 0.00 0.00 3.41 0.35 -4.64 113.62 103.81 1x64 n SER 84 Ca -0.01 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1x64 n SER 84 Cb 0.40 -3.72 0.00 0.00 -0.26 0.00 0.00 64.21 60.63 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 -1.65 -0.10 0.00 5.00 0.00 -1.26 -5.01 105.19 102.17 1x64 n GLY 85 Ca 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.49 -3.22 1.61 -0.04 -1.26 -4.66 135.00 127.92 1x64 n PRO 86 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1x64 n PRO 86 Cb 0.00 -1.34 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.85 6.41 0.08 3.54 1.04 -1.26 -5.04 113.70 116.62 1x64 s SER 87 Ca 0.16 0.36 -0.31 0.00 0.48 0.00 0.00 55.95 56.65 1x64 s SER 87 Cb 0.07 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.84 1x64 s SER 87 CO 0.12 -0.37 1.36 -0.94 0.98 0.00 0.00 173.24 174.39 1x64 s SER 88 N 1.62 6.88 0.00 7.02 1.04 -1.26 -5.21 113.70 123.79 1x64 s SER 88 Ca 0.21 2.22 0.32 0.00 0.48 0.00 0.00 55.95 59.18 1x64 s SER 88 Cb -0.15 -2.58 1.90 0.00 0.10 0.00 0.00 66.02 65.29 1x64 s SER 88 CO 0.11 -0.63 2.22 0.61 0.98 0.00 0.00 173.24 176.53