#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 -0.65 -0.01 1.61 0.01 -1.26 -5.17 113.70 108.23 1x64 s SER 2 Ca 0.00 1.11 -0.19 0.00 1.31 0.00 0.00 55.95 58.18 1x64 s SER 2 Cb 0.00 1.02 0.04 0.00 0.21 0.00 0.00 66.02 67.29 1x64 s SER 2 CO 0.00 -0.21 0.41 -0.44 0.41 0.00 0.00 173.24 173.41 1x64 s SER 3 N 1.56 -0.31 -0.10 2.44 0.01 -1.26 -5.17 113.70 110.87 1x64 s SER 3 Ca -0.09 0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 1x64 s SER 3 Cb -0.08 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.57 1x64 s SER 3 CO -0.15 -0.54 0.25 -0.83 0.41 0.00 0.00 173.24 172.38 1x64 s GLY 4 N -1.46 -0.17 -0.16 3.44 0.00 -1.26 -5.15 107.32 102.55 1x64 s GLY 4 Ca -0.11 0.80 -0.11 0.00 0.00 0.00 0.00 44.72 45.30 1x64 s GLY 4 CO 0.04 0.82 0.40 -0.45 0.00 0.00 0.00 173.10 173.91 1x64 s SER 5 N 0.50 -0.47 0.01 1.64 0.15 -1.26 -5.17 113.70 109.10 1x64 s SER 5 Ca -0.03 0.85 -0.18 0.00 0.70 0.00 0.00 55.95 57.29 1x64 s SER 5 Cb -0.04 0.79 0.03 0.00 -1.71 0.00 0.00 66.02 65.09 1x64 s SER 5 CO -0.03 -0.17 0.40 -0.55 1.20 0.00 0.00 173.24 174.10 1x64 s SER 6 N 0.84 -0.29 0.00 5.45 0.15 -1.26 -5.13 113.70 113.46 1x64 s SER 6 Ca -0.05 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1x64 s SER 6 Cb -0.06 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1x64 s SER 6 CO -0.06 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1x64 n GLY 7 N 0.87 2.99 2.94 9.45 0.00 -1.26 -5.18 105.19 115.01 1x64 n GLY 7 Ca -0.20 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1x64 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x64 s VAL 8 N 0.00 0.08 0.11 1.61 0.11 -1.26 -5.17 120.40 115.88 1x64 s VAL 8 Ca 0.00 -0.53 -0.07 0.00 -2.93 0.00 0.00 61.98 58.44 1x64 s VAL 8 Cb 0.00 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1x64 s VAL 8 CO 0.00 -0.29 0.18 -0.13 -3.33 0.00 0.00 175.10 171.54 1x64 s ARG 9 N -0.85 0.91 -0.11 1.54 0.52 -1.26 -5.16 118.95 114.54 1x64 s ARG 9 Ca -0.09 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.04 1x64 s ARG 9 Cb -0.06 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.77 1x64 s ARG 9 CO -0.01 -0.29 -0.03 0.00 0.02 0.00 0.00 175.30 174.99 1x64 s ALA 10 N -3.91 1.08 1.23 2.13 0.00 -1.26 -5.15 121.76 115.89 1x64 s ALA 10 Ca 0.10 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 1x64 s ALA 10 Cb 0.05 -0.89 0.28 0.00 0.00 0.00 0.00 23.12 22.56 1x64 s ALA 10 CO -0.07 -0.54 1.02 -0.35 0.00 0.00 0.00 175.76 175.82 1x64 n PRO 11 N 5.02 -3.00 -3.72 0.00 -0.04 -1.26 -5.10 135.00 126.91 1x64 n PRO 11 Ca -0.10 -1.63 -0.11 0.00 -0.04 0.00 0.00 63.50 61.62 1x64 n PRO 11 Cb 0.49 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1x64 n PRO 11 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1x64 s VAL 12 N -2.85 0.08 -0.11 0.52 -7.23 -1.26 -5.17 120.40 104.39 1x64 s VAL 12 Ca 0.66 -0.66 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 1x64 s VAL 12 Cb -0.06 -1.03 0.04 0.00 0.56 0.00 0.00 36.38 35.88 1x64 s VAL 12 CO 0.51 -0.36 0.27 0.42 -0.31 0.00 0.00 175.10 175.62 1x64 s THR 13 N -2.94 -0.02 -0.27 5.32 -4.23 -1.26 -5.13 115.64 107.11 1x64 s THR 13 Ca -0.02 0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1x64 s THR 13 Cb 0.00 -0.39 0.15 0.00 1.34 0.00 0.00 72.50 73.61 1x64 s THR 13 CO -0.06 0.02 0.44 -0.75 -0.54 0.00 0.00 174.62 173.73 1x64 s LYS 14 N 0.62 0.42 0.24 3.99 2.20 -1.26 -5.16 119.74 120.79 1x64 s LYS 14 Ca -0.04 0.48 -0.06 0.00 -0.36 0.00 0.00 55.97 55.99 1x64 s LYS 14 Cb -0.05 -0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 1x64 s LYS 14 CO -0.04 -0.79 0.33 0.14 -0.36 0.00 0.00 175.35 174.63 1x64 s VAL 15 N 2.61 0.00 0.06 4.02 -7.23 -1.26 -5.18 120.40 113.42 1x64 s VAL 15 Ca 0.13 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1x64 s VAL 15 Cb -0.14 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1x64 s VAL 15 CO -0.22 0.00 -0.05 -1.38 -0.31 0.00 0.00 175.10 173.14 1x64 s HIS 16 N -3.97 0.65 0.02 2.82 -3.43 -1.26 -5.16 115.29 104.96 1x64 s HIS 16 Ca 0.31 -0.84 0.09 0.00 -0.80 0.00 0.00 55.06 53.81 1x64 s HIS 16 Cb 0.03 -0.41 -0.03 0.00 -1.43 0.00 0.00 32.58 30.74 1x64 s HIS 16 CO 0.12 -0.22 -0.26 0.20 -2.00 0.00 0.00 174.74 172.58 1x64 s GLY 17 N -2.55 1.35 -0.35 -1.38 0.00 -1.26 -5.10 107.32 98.03 1x64 s GLY 17 Ca 0.03 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.57 1x64 s GLY 17 CO -0.05 -1.07 0.43 -0.32 0.00 0.00 0.00 173.10 172.08 1x64 s GLY 18 N -1.02 -0.42 0.05 0.20 0.00 -1.26 -5.14 107.32 99.72 1x64 s GLY 18 Ca 0.11 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1x64 s GLY 18 CO 0.01 3.00 -0.06 0.00 0.00 0.00 0.00 173.10 176.04 1x64 s ALA 19 N 1.89 0.54 0.00 3.20 0.00 -1.26 -5.13 121.76 121.00 1x64 s ALA 19 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1x64 s ALA 19 Cb -0.12 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1x64 s ALA 19 CO -0.14 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1x64 n GLY 20 N 1.17 4.04 3.46 0.00 0.00 -1.26 -5.19 105.19 107.40 1x64 n GLY 20 Ca -0.21 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 -0.48 -0.10 1.61 0.01 -1.26 -5.13 113.70 108.35 1x64 s SER 21 Ca 0.00 0.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.99 1x64 s SER 21 Cb 0.00 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 1x64 s SER 21 CO 0.00 -0.79 1.32 0.00 0.41 0.00 0.00 173.24 174.17 1x64 s ALA 22 N -3.36 3.61 -0.14 1.44 0.00 -1.26 -5.01 121.76 117.04 1x64 s ALA 22 Ca 0.02 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 1x64 s ALA 22 Cb -0.01 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1x64 s ALA 22 CO -0.10 -1.06 -0.05 -0.65 0.00 0.00 0.00 175.76 173.90 1x64 s GLN 23 N 3.09 1.31 -0.12 0.00 1.11 -1.26 -4.98 119.66 118.82 1x64 s GLN 23 Ca 0.59 -0.36 0.15 0.00 0.01 0.00 0.00 55.36 55.75 1x64 s GLN 23 Cb -0.25 -1.77 0.31 0.00 -1.01 0.00 0.00 33.01 30.28 1x64 s GLN 23 CO 0.20 -0.38 1.20 -2.13 0.01 0.00 0.00 175.29 174.18 1x64 n ARG 24 N 4.94 2.00 -2.09 2.91 0.63 -1.26 -5.04 116.66 118.74 1x64 n ARG 24 Ca -0.11 -2.46 -0.33 0.00 -0.92 0.00 0.00 57.85 54.03 1x64 n ARG 24 Cb 0.49 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.91 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 -2.49 3.39 0.54 -0.14 0.23 -1.26 -5.02 119.30 114.55 1x64 s MET 25 Ca 0.29 1.19 -0.19 0.00 -1.03 0.00 0.00 55.69 55.95 1x64 s MET 25 Cb 0.25 -2.04 -0.06 0.00 -1.53 0.00 0.00 34.83 31.44 1x64 s MET 25 CO 0.05 -0.75 1.13 -1.25 -2.03 0.00 0.00 175.02 172.16 1x64 s PRO 26 N -4.04 3.35 -0.30 3.16 0.04 -1.26 -4.79 135.00 131.17 1x64 s PRO 26 Ca 0.63 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 1x64 s PRO 26 Cb -0.16 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1x64 s PRO 26 CO 0.36 -0.85 0.18 -1.17 0.04 0.00 0.00 177.00 175.56 1x64 s LEU 27 N -3.80 4.14 -0.25 -3.56 1.98 -1.26 -2.02 118.68 113.90 1x64 s LEU 27 Ca 0.73 -0.30 -0.36 0.00 -2.89 0.00 0.00 54.13 51.31 1x64 s LEU 27 Cb -0.24 -2.07 -0.12 0.00 0.66 0.00 0.00 46.19 44.42 1x64 s LEU 27 CO 0.27 -0.15 2.01 0.00 -1.89 0.00 0.00 176.35 176.59 1x64 n ASP 29 N 8.09 0.00 -0.10 0.00 2.03 -1.23 0.12 116.55 125.46 1x64 n ASP 29 Ca 0.32 -0.66 -0.16 0.00 0.52 0.00 0.00 54.79 54.81 1x64 n ASP 29 Cb 0.24 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1x64 n LYS 30 N -0.96 0.54 -0.28 -0.67 3.00 -1.26 -4.63 118.16 113.90 1x64 n LYS 30 Ca 0.14 0.30 0.07 0.00 -0.00 0.00 0.00 58.31 58.82 1x64 n LYS 30 Cb 0.06 -1.51 0.19 0.00 0.00 0.00 0.00 35.03 33.77 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 -0.16 -0.25 3.22 0.00 0.00 0.33 -4.89 105.19 103.43 1x64 n GLY 32 Ca 0.15 0.10 -0.32 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 -3.45 3.04 0.18 1.61 0.15 -1.24 -4.84 113.70 109.16 1x64 s SER 33 Ca 0.43 -0.55 -0.29 0.00 0.70 0.00 0.00 55.95 56.23 1x64 s SER 33 Cb -0.25 -1.34 -0.17 0.00 -1.71 0.00 0.00 66.02 62.55 1x64 s SER 33 CO 0.87 0.16 0.61 0.61 1.20 0.00 0.00 173.24 176.70 1x64 n GLY 34 N 3.47 -1.51 3.44 9.45 0.00 -1.26 -3.05 105.19 115.74 1x64 n GLY 34 Ca -0.19 0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.87 3.80 -0.24 -0.61 1.01 -0.86 -4.86 121.20 118.56 1x64 s ILE 35 Ca 0.67 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 1x64 s ILE 35 Cb -0.96 -2.69 0.11 0.00 0.01 0.00 0.00 42.46 38.92 1x64 s ILE 35 CO 0.56 0.46 0.51 0.54 0.00 0.00 0.00 174.94 177.01 1x64 s VAL 36 N 0.78 -0.78 0.00 2.92 0.11 -1.26 -4.37 120.40 117.80 1x64 s VAL 36 Ca -0.01 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1x64 s VAL 36 Cb -0.14 -0.80 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 5.40 3.30 3.33 6.54 0.00 -1.26 -5.00 105.19 117.49 1x64 n GLY 37 Ca -0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.22 0.19 4.61 0.00 -1.26 -5.17 121.76 118.91 1x64 s ALA 38 Ca 0.00 1.66 -0.00 0.00 0.00 0.00 0.00 51.96 53.61 1x64 s ALA 38 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1x64 s ALA 38 CO 0.00 -0.48 0.09 0.54 0.00 0.00 0.00 175.76 175.91 1x64 s VAL 39 N 1.93 0.22 -0.28 0.00 0.11 -1.26 -4.24 120.40 116.88 1x64 s VAL 39 Ca -0.07 -1.97 -0.03 0.00 -2.93 0.00 0.00 61.98 56.98 1x64 s VAL 39 Cb -0.09 -2.36 0.09 0.00 -1.53 0.00 0.00 36.38 32.49 1x64 s VAL 39 CO -0.14 -0.18 0.11 -0.69 -3.33 0.00 0.00 175.10 170.86 1x64 s VAL 40 N -3.99 0.30 -0.23 2.04 1.01 0.43 -4.76 120.40 115.20 1x64 s VAL 40 Ca 0.33 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1x64 s VAL 40 Cb 0.07 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1x64 s VAL 40 CO 0.09 -0.61 0.08 -0.75 0.00 0.00 0.00 175.10 173.90 1x64 s LYS 41 N 1.92 3.76 0.00 2.72 2.20 -1.26 -0.43 119.74 128.64 1x64 s LYS 41 Ca 0.07 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1x64 s LYS 41 Cb -0.17 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1x64 s LYS 41 CO -0.28 -0.07 0.00 0.00 -0.36 0.00 0.00 175.35 174.64 1x64 n ALA 42 N 4.59 0.00 -1.42 3.13 0.00 -1.22 -4.97 120.51 120.61 1x64 n ALA 42 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 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 -0.80 0.00 -0.00 0.00 3.00 -1.26 -4.93 116.66 112.67 1x64 n ARG 43 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 1x64 n ARG 43 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 32.46 32.42 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x64 n ASP 44 N -0.74 1.81 -4.85 6.15 8.00 -1.26 -5.05 116.55 120.61 1x64 n ASP 44 Ca 0.00 -0.34 -0.22 0.00 0.71 0.00 0.00 54.79 54.94 1x64 n ASP 44 Cb 0.00 1.04 0.07 0.00 -0.02 0.00 0.00 41.12 42.21 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 -1.57 2.15 0.02 -1.24 1.02 -1.26 -5.12 119.74 113.74 1x64 s LYS 45 Ca 0.00 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1x64 s LYS 45 Cb 0.02 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1x64 s LYS 45 CO 0.09 -1.06 -0.08 0.71 -0.92 0.00 0.00 175.35 174.09 1x64 s TYR 46 N -2.95 0.69 -0.04 3.18 1.51 -1.26 -3.41 117.35 115.08 1x64 s TYR 46 Ca 0.61 -0.29 -0.09 0.00 -1.01 0.00 0.00 57.07 56.29 1x64 s TYR 46 Cb -0.08 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1x64 s TYR 46 CO 0.41 -0.03 0.21 1.03 -1.11 0.00 0.00 175.55 176.07 1x64 s ARG 47 N -0.83 0.43 1.00 -0.62 1.81 0.42 -3.56 118.95 117.60 1x64 s ARG 47 Ca -0.02 -0.05 -0.12 0.00 -1.72 0.00 0.00 55.73 53.82 1x64 s ARG 47 Cb -0.06 0.19 0.15 0.00 -0.45 0.00 0.00 34.95 34.79 1x64 s ARG 47 CO 0.00 -0.09 0.88 0.72 -0.68 0.00 0.00 175.30 176.12 1x64 n HIS 48 N 2.05 -0.27 0.47 -0.53 8.25 -1.26 0.16 115.22 124.10 1x64 n HIS 48 Ca -0.18 0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 1x64 n HIS 48 Cb 0.57 -1.86 0.34 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 -3.72 0.03 -0.01 -0.41 -0.04 -1.26 -2.33 135.00 127.27 1x64 n PRO 49 Ca 0.08 0.28 -0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1x64 n PRO 49 Cb 0.54 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.06 0.09 0.54 0.28 -1.26 -4.65 120.64 116.06 1x64 n GLU 50 Ca 0.03 -0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.97 1x64 n GLU 50 Cb 0.18 -1.05 0.09 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 -3.82 1.21 -3.87 0.00 7.35 -0.98 -4.84 117.46 112.51 1x64 n PHE 52 Ca -0.03 0.22 -0.09 0.00 -0.76 0.00 0.00 57.45 56.80 1x64 n PHE 52 Cb 0.66 -2.54 -0.00 0.00 0.35 0.00 0.00 39.48 37.94 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 10.29 0.00 0.94 -2.13 -7.23 -1.26 -3.00 120.40 118.01 1x64 s VAL 53 Ca 1.12 -1.09 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 1x64 s VAL 53 Cb -0.63 -2.48 0.15 0.00 0.56 0.00 0.00 36.38 33.98 1x64 s VAL 53 CO 0.37 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.26 1x64 n ALA 55 N -3.97 2.66 -0.01 0.00 0.00 -1.18 -2.91 120.51 115.10 1x64 n ALA 55 Ca 0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 1x64 n ALA 55 Cb 0.57 -0.62 -0.01 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 0.76 3.87 -0.00 0.00 -0.08 -1.26 -4.80 116.55 115.04 1x64 n ASP 56 Ca 0.10 -0.01 0.01 0.00 -1.51 0.00 0.00 54.79 53.38 1x64 n ASP 56 Cb 0.44 0.02 -0.01 0.00 2.34 0.00 0.00 41.12 43.90 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 -1.15 -4.04 -4.74 0.00 5.15 -1.15 -4.87 115.26 104.47 1x64 n ASN 58 Ca 0.00 -0.49 -0.38 0.00 -0.60 0.00 0.00 54.58 53.12 1x64 n ASN 58 Cb 0.04 -4.39 -0.06 0.00 -0.53 0.00 0.00 39.78 34.83 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 -6.07 4.29 -0.40 1.20 0.20 -1.26 -4.36 118.68 112.29 1x64 s LEU 59 Ca 0.27 0.77 -0.33 0.00 0.69 0.00 0.00 54.13 55.52 1x64 s LEU 59 Cb -0.12 -2.62 -0.11 0.00 -0.43 0.00 0.00 46.19 42.91 1x64 s LEU 59 CO 0.62 0.06 2.25 -3.20 -0.29 0.00 0.00 176.35 175.79 1x64 n ASN 60 N 3.45 2.13 -0.96 3.68 2.85 -1.26 -0.78 115.26 124.38 1x64 n ASN 60 Ca -0.09 0.27 0.05 0.00 -0.11 0.00 0.00 54.58 54.71 1x64 n ASN 60 Cb 0.52 -1.30 0.19 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 10.74 2.74 0.34 1.20 4.77 -1.16 -4.24 117.00 131.38 1x64 n LEU 61 Ca 0.41 -1.38 -0.13 0.00 -0.03 0.00 0.00 56.01 54.88 1x64 n LEU 61 Cb 0.27 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1x64 n LEU 61 CO 0.76 0.50 0.44 0.50 -1.33 0.00 0.00 177.39 178.25 1x64 h LYS 62 N 2.25 -0.85 0.16 3.23 1.63 -1.87 -3.34 116.57 117.79 1x64 h LYS 62 Ca 0.00 0.06 -0.31 0.00 -0.85 0.00 0.00 60.65 59.55 1x64 h LYS 62 Cb 0.86 0.19 0.03 0.00 -0.60 0.00 0.00 32.23 32.71 1x64 h LYS 62 CO 0.11 -0.57 -1.30 -0.56 -3.45 0.00 0.00 179.45 173.69 1x64 h GLN 63 N -1.02 0.60 -6.91 1.90 3.07 -1.98 -3.46 115.11 107.31 1x64 h GLN 63 Ca -0.09 -0.86 -0.49 0.00 0.09 0.00 0.00 58.65 57.30 1x64 h GLN 63 Cb 0.67 0.30 0.03 0.00 0.08 0.00 0.00 27.48 28.56 1x64 h GLN 63 CO 0.15 1.40 0.45 0.15 0.09 0.00 0.00 178.83 181.07 1x64 s LYS 64 N -2.86 4.28 -0.52 0.06 1.02 -1.25 -4.90 119.74 115.57 1x64 s LYS 64 Ca -0.09 1.68 -0.29 0.00 0.02 0.00 0.00 55.97 57.28 1x64 s LYS 64 Cb 0.05 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.49 1x64 s LYS 64 CO 0.94 -0.08 2.40 0.41 -0.92 0.00 0.00 175.35 178.09 1x64 n GLY 65 N 0.66 0.23 3.57 -3.33 0.00 -1.26 -4.70 105.19 100.36 1x64 n GLY 65 Ca 0.03 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.58 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 10.19 1.60 0.05 1.61 -0.85 -1.25 -4.01 117.35 124.69 1x64 s TYR 66 Ca 1.08 1.25 -0.03 0.00 -0.52 0.00 0.00 57.07 58.84 1x64 s TYR 66 Cb -0.53 -3.16 -0.02 0.00 0.38 0.00 0.00 41.96 38.63 1x64 s TYR 66 CO 0.36 -3.43 0.04 -0.06 -1.52 0.00 0.00 175.55 170.94 1x64 s PHE 67 N -2.61 0.36 -0.30 -3.49 0.40 -1.08 -4.95 117.98 106.32 1x64 s PHE 67 Ca 0.67 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1x64 s PHE 67 Cb -0.23 -0.26 0.09 0.00 0.51 0.00 0.00 43.02 43.14 1x64 s PHE 67 CO 0.62 -0.39 0.06 -0.06 0.70 0.00 0.00 175.22 176.15 1x64 s PHE 68 N -3.43 2.09 -0.16 0.36 0.08 -1.26 -3.08 117.98 112.59 1x64 s PHE 68 Ca 0.02 -1.88 0.00 0.00 0.12 0.00 0.00 56.93 55.19 1x64 s PHE 68 Cb 0.04 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1x64 s PHE 68 CO -0.08 -0.85 -0.13 0.08 -0.10 0.00 0.00 175.22 174.13 1x64 s VAL 69 N 1.49 1.56 -1.33 -0.44 1.01 0.13 -4.77 120.40 118.04 1x64 s VAL 69 Ca 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1x64 s VAL 69 Cb -0.18 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1x64 s VAL 69 CO -0.18 0.39 0.81 -0.62 0.00 0.00 0.00 175.10 175.49 1x64 n GLU 70 N 4.76 -5.40 -2.30 2.72 1.02 -1.26 -1.20 120.64 118.98 1x64 n GLU 70 Ca -0.16 0.66 -0.20 0.00 -0.02 0.00 0.00 57.16 57.44 1x64 n GLU 70 Cb 0.49 -5.35 -0.02 0.00 -0.02 0.00 0.00 31.44 26.54 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 -1.55 -0.22 3.11 0.62 0.00 -1.26 -4.98 105.19 100.90 1x64 n GLY 71 Ca -0.23 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.88 0.66 0.18 1.61 2.12 -0.34 -5.15 118.70 112.91 1x64 s GLU 72 Ca 0.00 -1.11 -0.00 0.00 0.36 0.00 0.00 54.97 54.22 1x64 s GLU 72 Cb 0.00 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 1x64 s GLU 72 CO 0.00 -0.03 0.36 -0.51 -0.54 0.00 0.00 175.26 174.55 1x64 s LEU 73 N -2.52 4.25 -0.02 2.70 1.43 -1.26 0.17 118.68 123.44 1x64 s LEU 73 Ca 0.03 0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 53.22 1x64 s LEU 73 Cb 0.01 -3.13 0.06 0.00 0.03 0.00 0.00 46.19 43.16 1x64 s LEU 73 CO -0.04 -0.01 0.62 -0.31 0.23 0.00 0.00 176.35 176.84 1x64 s TYR 74 N -1.81 -0.58 0.80 0.29 2.02 -1.18 -3.10 117.35 113.80 1x64 s TYR 74 Ca 0.38 0.90 -0.11 0.00 -0.37 0.00 0.00 57.07 57.87 1x64 s TYR 74 Cb -0.11 0.39 0.07 0.00 -0.40 0.00 0.00 41.96 41.91 1x64 s TYR 74 CO 0.29 -0.62 1.09 0.00 -1.57 0.00 0.00 175.55 174.74 1x64 h GLU 76 N -1.15 0.25 0.00 0.00 4.81 -1.93 0.43 114.58 116.99 1x64 h GLU 76 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1x64 h GLU 76 Cb 1.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1x64 h GLU 76 CO 0.57 0.16 0.00 2.41 -0.73 0.00 0.00 179.01 181.42 1x64 n THR 77 N -4.45 0.00 0.16 0.32 -1.04 -1.26 -2.13 114.28 105.88 1x64 n THR 77 Ca 0.22 0.96 -0.14 0.00 -2.04 0.00 0.00 64.05 63.04 1x64 n THR 77 Cb 0.89 -1.90 -0.07 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.53 -1.42 3.86 -1.87 -2.56 115.15 111.66 1x64 h HIS 78 Ca 0.00 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1x64 h HIS 78 Cb 0.00 0.40 -0.09 0.00 1.06 0.00 0.00 27.41 28.77 1x64 h HIS 78 CO 0.10 -0.47 -0.52 0.00 0.86 0.00 0.00 177.93 177.91 1x64 h ALA 79 N -0.09 -0.59 -0.96 2.45 0.00 -0.30 0.19 119.26 119.96 1x64 h ALA 79 Ca 0.01 0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.24 1x64 h ALA 79 Cb 0.63 1.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 1x64 h ALA 79 CO -0.15 -0.96 0.47 0.00 0.00 0.00 0.00 179.25 178.61 1x64 h ARG 80 N -0.30 0.36 -0.06 0.00 3.08 -1.22 0.98 114.38 117.21 1x64 h ARG 80 Ca 0.12 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1x64 h ARG 80 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1x64 h ARG 80 CO -0.66 0.24 -0.24 0.00 -1.07 0.00 0.00 179.97 178.23 1x64 h ALA 81 N 1.79 1.48 0.00 0.04 0.00 -0.25 0.86 119.26 123.18 1x64 h ALA 81 Ca 0.65 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x64 h ALA 81 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1x64 h ALA 81 CO -0.58 0.37 -0.02 0.00 0.00 0.00 0.00 179.25 179.03 1x64 h ARG 82 N 0.10 0.00 -0.60 0.00 3.08 0.19 -3.38 114.38 113.76 1x64 h ARG 82 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1x64 h ARG 82 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1x64 h ARG 82 CO 0.03 0.00 0.04 0.00 -1.07 0.00 0.00 179.97 178.98 1x64 h THR 83 N -0.47 1.26 -5.62 2.04 1.03 -0.87 -3.46 112.91 106.81 1x64 h THR 83 Ca 0.00 -1.09 -0.42 0.00 -0.01 0.00 0.00 66.41 64.89 1x64 h THR 83 Cb 0.02 0.78 -0.06 0.00 -1.07 0.00 0.00 68.15 67.82 1x64 h THR 83 CO 0.00 0.40 -0.64 -1.54 -0.01 0.00 0.00 175.52 173.73 1x64 n SER 84 N -4.23 -4.38 0.00 0.00 3.41 0.30 -4.69 113.62 104.03 1x64 n SER 84 Ca 0.03 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1x64 n SER 84 Cb 0.32 -3.56 0.00 0.00 -0.26 0.00 0.00 64.21 60.71 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 -1.38 -1.21 0.17 5.00 0.00 -1.26 -5.01 105.19 101.50 1x64 n GLY 85 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.26 1.61 -0.04 -1.26 -3.88 135.00 131.66 1x64 n PRO 86 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1x64 n PRO 86 Cb 0.00 -1.09 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 1x64 n PRO 86 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x64 h SER 87 N 0.18 0.32 -3.71 3.54 0.87 -1.97 -3.39 113.55 109.39 1x64 h SER 87 Ca 0.00 0.10 -0.68 0.00 -1.23 0.00 0.00 61.79 59.98 1x64 h SER 87 Cb 0.09 0.07 -0.25 0.00 -0.44 0.00 0.00 62.40 61.86 1x64 h SER 87 CO 0.00 0.13 -0.77 -0.94 -0.53 0.00 0.00 176.83 174.72 1x64 s SER 88 N -5.37 3.98 0.00 6.23 1.04 -1.25 -5.31 113.70 113.02 1x64 s SER 88 Ca -0.12 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1x64 s SER 88 Cb 0.20 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1x64 s SER 88 CO 0.76 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.85