#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjo s VAL 2 N 0.00 4.12 -0.01 3.17 -7.23 -1.26 -3.44 120.40 115.75 1qjo s VAL 2 Ca 0.00 0.98 -0.09 0.00 -1.81 0.00 0.00 61.98 61.07 1qjo s VAL 2 Cb 0.00 -3.53 0.01 0.00 0.56 0.00 0.00 36.38 33.42 1qjo s VAL 2 CO 0.00 -0.61 0.17 -0.54 -0.31 0.00 0.00 175.10 173.81 1qjo s LYS 3 N -4.15 0.49 -0.50 4.82 3.01 0.29 -4.94 119.74 118.75 1qjo s LYS 3 Ca 0.61 -0.31 -0.17 0.00 -1.01 0.00 0.00 55.97 55.10 1qjo s LYS 3 Cb -0.13 0.21 0.08 0.00 -1.01 0.00 0.00 37.83 36.97 1qjo s LYS 3 CO 0.36 -0.12 0.52 -1.21 0.51 0.00 0.00 175.35 175.41 1qjo s GLU 4 N -1.24 3.04 -0.65 1.68 2.02 -1.26 -0.40 118.70 121.88 1qjo s GLU 4 Ca -0.13 -1.22 -0.26 0.00 0.02 0.00 0.00 54.97 53.37 1qjo s GLU 4 Cb -0.07 -4.15 -0.02 0.00 0.10 0.00 0.00 34.13 30.00 1qjo s GLU 4 CO 0.02 -1.18 1.79 0.08 0.02 0.00 0.00 175.26 175.98 1qjo s VAL 5 N 2.10 3.41 0.63 2.63 1.01 0.32 -4.93 120.40 125.57 1qjo s VAL 5 Ca 0.09 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.29 1qjo s VAL 5 Cb -0.23 -4.08 0.10 0.00 0.00 0.00 0.00 36.38 32.16 1qjo s VAL 5 CO 0.08 -1.05 0.87 0.54 0.00 0.00 0.00 175.10 175.54 1qjo s ASN 6 N 7.50 4.79 -0.16 3.32 2.20 -1.26 -0.95 114.94 130.38 1qjo s ASN 6 Ca 0.63 -0.57 -0.11 0.00 -0.94 0.00 0.00 52.86 51.86 1qjo s ASN 6 Cb -0.11 0.06 -0.05 0.00 -2.00 0.00 0.00 41.25 39.15 1qjo s ASN 6 CO 0.18 -1.54 0.22 -0.69 -2.94 0.00 0.00 177.10 172.32 1qjo s VAL 7 N -2.87 5.36 0.78 3.54 1.01 -0.94 -4.68 120.40 122.60 1qjo s VAL 7 Ca 0.63 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 1qjo s VAL 7 Cb -0.06 -3.54 0.19 0.00 0.00 0.00 0.00 36.38 32.97 1qjo s VAL 7 CO 0.41 0.45 0.71 -0.81 0.00 0.00 0.00 175.10 175.86 1qjo n PRO 8 N 3.26 -2.32 -0.35 2.72 -0.04 -1.26 0.25 135.00 137.27 1qjo n PRO 8 Ca -0.15 -1.13 -0.03 0.00 -0.04 0.00 0.00 63.50 62.15 1qjo n PRO 8 Cb 0.52 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.89 1qjo n PRO 8 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qjo n ASP 9 N -4.17 2.22 -1.92 3.54 5.68 -1.26 -3.49 116.55 117.16 1qjo n ASP 9 Ca 0.10 -1.80 -0.12 0.00 -0.50 0.00 0.00 54.79 52.47 1qjo n ASP 9 Cb 0.38 -0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 39.73 1qjo n ASP 9 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1qjo n ILE 10 N 2.44 2.72 0.00 2.12 -0.00 -1.26 -4.90 119.36 120.49 1qjo n ILE 10 Ca 0.12 -1.48 0.00 0.00 -0.00 0.00 0.00 62.75 61.39 1qjo n ILE 10 Cb 0.33 -1.68 0.00 0.00 -0.00 0.00 0.00 39.64 38.29 1qjo n ILE 10 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qjo n GLY 11 N 1.58 -0.13 0.04 3.28 0.00 -1.26 -4.84 105.19 103.86 1qjo n GLY 11 Ca 0.29 -2.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 1qjo n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjo n GLY 12 N 0.00 -0.20 3.04 -0.02 0.00 -1.26 -4.73 105.19 102.02 1qjo n GLY 12 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1qjo n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 13 N -2.52 -4.92 -4.13 1.61 9.92 -1.26 -4.89 116.55 110.36 1qjo n ASP 13 Ca -0.13 0.14 -0.33 0.00 -0.53 0.00 0.00 54.79 53.94 1qjo n ASP 13 Cb 0.68 -0.75 -0.15 0.00 -0.64 0.00 0.00 41.12 40.27 1qjo n ASP 13 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1qjo s GLU 14 N -2.18 2.50 0.48 -1.24 2.56 -1.26 -4.73 118.70 114.82 1qjo s GLU 14 Ca 0.41 -1.19 0.02 0.00 0.00 0.00 0.00 54.97 54.21 1qjo s GLU 14 Cb -0.12 -2.94 -0.02 0.00 2.00 0.00 0.00 34.13 33.05 1qjo s GLU 14 CO 0.77 -0.50 0.03 0.14 -0.56 0.00 0.00 175.26 175.14 1qjo s VAL 15 N 1.21 1.14 0.41 3.70 -7.23 -1.17 -4.98 120.40 113.49 1qjo s VAL 15 Ca -0.05 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.20 1qjo s VAL 15 Cb -0.18 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1qjo s VAL 15 CO -0.05 0.00 0.24 -1.83 -0.31 0.00 0.00 175.10 173.16 1qjo s GLU 16 N -3.83 2.34 -0.33 4.82 -1.05 -0.54 0.03 118.70 120.14 1qjo s GLU 16 Ca 0.13 -1.71 -0.10 0.00 -0.15 0.00 0.00 54.97 53.13 1qjo s GLU 16 Cb 0.03 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1qjo s GLU 16 CO 0.07 -0.12 0.17 0.08 0.95 0.00 0.00 175.26 176.41 1qjo s VAL 17 N -2.54 4.62 -0.20 1.83 1.01 0.13 -0.41 120.40 124.84 1qjo s VAL 17 Ca 0.43 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1qjo s VAL 17 Cb 0.01 -3.42 -0.20 0.00 0.00 0.00 0.00 36.38 32.77 1qjo s VAL 17 CO 0.24 -0.02 0.08 0.41 0.00 0.00 0.00 175.10 175.82 1qjo n THR 18 N 4.99 1.61 -3.77 3.92 -1.04 0.13 0.50 114.28 120.62 1qjo n THR 18 Ca -0.13 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.05 61.18 1qjo n THR 18 Cb 0.48 -1.80 -0.15 0.00 -1.82 0.00 0.00 70.33 67.04 1qjo n THR 18 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1qjo s GLU 19 N -2.48 0.83 -1.08 -2.82 2.02 -0.86 -4.88 118.70 109.43 1qjo s GLU 19 Ca -0.30 -0.99 -0.19 0.00 0.02 0.00 0.00 54.97 53.51 1qjo s GLU 19 Cb 0.08 -2.13 -0.07 0.00 0.10 0.00 0.00 34.13 32.12 1qjo s GLU 19 CO 0.64 -0.89 2.00 1.55 0.02 0.00 0.00 175.26 178.58 1qjo n VAL 20 N 4.83 2.54 -0.27 2.63 3.14 -1.26 -0.13 118.33 129.81 1qjo n VAL 20 Ca -0.04 -2.32 0.02 0.00 -2.96 0.00 0.00 64.34 59.04 1qjo n VAL 20 Cb 0.43 -2.40 0.06 0.00 -1.06 0.00 0.00 33.84 30.88 1qjo n VAL 20 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1qjo n MET 21 N 7.00 -0.12 -3.85 1.45 2.81 -1.15 -4.54 117.12 118.72 1qjo n MET 21 Ca 0.50 1.13 -0.31 0.00 -1.81 0.00 0.00 57.70 57.21 1qjo n MET 21 Cb 0.41 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 1qjo n MET 21 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1qjo s VAL 22 N -5.80 5.32 0.37 2.03 -7.23 -1.14 -5.06 120.40 108.89 1qjo s VAL 22 Ca -0.10 -0.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.86 1qjo s VAL 22 Cb 0.17 -3.63 -0.07 0.00 0.56 0.00 0.00 36.38 33.41 1qjo s VAL 22 CO 0.54 0.11 0.02 -0.54 -0.31 0.00 0.00 175.10 174.92 1qjo s LYS 23 N -2.56 1.81 -0.83 4.82 3.01 -1.26 -5.03 119.74 119.70 1qjo s LYS 23 Ca 0.37 -2.00 -0.21 0.00 -1.01 0.00 0.00 55.97 53.11 1qjo s LYS 23 Cb -0.13 -1.33 -0.19 0.00 -1.01 0.00 0.00 37.83 35.17 1qjo s LYS 23 CO 0.27 -0.08 2.20 0.28 0.51 0.00 0.00 175.35 178.53 1qjo n VAL 24 N -0.83 0.00 0.00 3.17 0.31 -1.26 -1.42 118.33 118.30 1qjo n VAL 24 Ca -0.04 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1qjo n VAL 24 Cb 0.66 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1qjo n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qjo n GLY 25 N 6.25 0.57 3.83 2.92 0.00 0.74 -4.96 105.19 114.55 1qjo n GLY 25 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 1qjo n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 26 N -1.22 6.87 -1.08 1.61 1.01 -0.51 -4.77 116.67 118.59 1qjo s ASP 26 Ca 0.00 1.04 -0.22 0.00 0.71 0.00 0.00 52.55 54.08 1qjo s ASP 26 Cb 0.00 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.66 1qjo s ASP 26 CO 0.00 0.31 1.72 -0.54 0.21 0.00 0.00 175.17 176.87 1qjo s LYS 27 N -1.13 3.23 0.24 8.23 -0.14 -1.26 -1.86 119.74 127.05 1qjo s LYS 27 Ca 0.26 -1.11 -0.11 0.00 -1.36 0.00 0.00 55.97 53.64 1qjo s LYS 27 Cb -0.17 -5.30 -0.08 0.00 -1.68 0.00 0.00 37.83 30.60 1qjo s LYS 27 CO 0.15 -2.82 0.59 0.08 -0.76 0.00 0.00 175.35 172.59 1qjo s VAL 28 N 7.13 4.86 0.03 3.17 1.01 0.16 -4.94 120.40 131.84 1qjo s VAL 28 Ca 0.58 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 1qjo s VAL 28 Cb -0.01 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1qjo s VAL 28 CO 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 175.10 175.04 1qjo s ALA 29 N -1.80 0.24 -0.63 5.51 0.00 -1.26 -0.20 121.76 123.62 1qjo s ALA 29 Ca 0.48 -0.82 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 1qjo s ALA 29 Cb -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1qjo s ALA 29 CO 0.20 -0.27 1.91 0.00 0.00 0.00 0.00 175.76 177.60 1qjo s ALA 30 N -2.58 2.09 0.00 0.00 0.00 -1.12 -1.02 121.76 119.13 1qjo s ALA 30 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1qjo s ALA 30 Cb -0.02 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.77 1qjo s ALA 30 CO -0.05 -4.02 0.00 -0.85 0.00 0.00 0.00 175.76 170.84 1qjo n GLU 31 N 9.15 0.00 -2.14 0.00 -0.00 -1.25 -4.96 120.64 121.43 1qjo n GLU 31 Ca 0.23 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.98 1qjo n GLU 31 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.93 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1qjo s GLN 32 N 0.00 3.14 -0.95 3.44 -0.44 -0.18 -4.64 119.66 120.02 1qjo s GLN 32 Ca 0.00 0.90 -0.21 0.00 -2.50 0.00 0.00 55.36 53.55 1qjo s GLN 32 Cb 0.00 -4.22 -0.25 0.00 -1.64 0.00 0.00 33.01 26.90 1qjo s GLN 32 CO 0.00 -2.11 2.36 0.45 0.50 0.00 0.00 175.29 176.50 1qjo n SER 33 N 10.70 -0.39 0.16 6.67 2.88 -1.26 -1.97 113.62 130.41 1qjo n SER 33 Ca 0.19 -0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1qjo n SER 33 Cb 0.49 -0.73 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 1qjo n SER 33 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qjo h LEU 34 N 11.04 -1.07 -7.30 2.46 3.38 0.20 -3.44 115.31 120.58 1qjo h LEU 34 Ca -0.01 0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 1qjo h LEU 34 Cb 1.18 0.37 -0.29 0.00 0.09 0.00 0.00 40.66 42.01 1qjo h LEU 34 CO 1.41 -0.46 -0.44 0.27 0.09 0.00 0.00 178.44 179.31 1qjo s ILE 35 N -5.04 -0.09 0.12 1.22 -4.36 -1.18 -2.91 121.20 108.97 1qjo s ILE 35 Ca -0.13 0.15 -0.31 0.00 -0.26 0.00 0.00 60.65 60.10 1qjo s ILE 35 Cb 0.04 -0.45 -0.08 0.00 1.25 0.00 0.00 42.46 43.21 1qjo s ILE 35 CO 0.44 0.06 1.44 -0.89 0.24 0.00 0.00 174.94 176.23 1qjo s THR 36 N 1.44 3.14 0.15 8.37 2.01 0.82 -2.89 115.64 128.67 1qjo s THR 36 Ca -0.08 0.81 0.11 0.00 0.31 0.00 0.00 61.69 62.84 1qjo s THR 36 Cb -0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1qjo s THR 36 CO -0.10 0.06 -0.25 0.68 -0.69 0.00 0.00 174.62 174.32 1qjo s VAL 37 N 1.17 2.34 0.00 3.82 -7.23 0.12 0.17 120.40 120.79 1qjo s VAL 37 Ca 0.66 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1qjo s VAL 37 Cb -0.38 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1qjo s VAL 37 CO 0.30 0.04 0.00 1.21 -0.31 0.00 0.00 175.10 176.34 1qjo n GLU 38 N 0.73 0.00 0.00 4.82 2.13 0.45 -1.83 120.64 126.94 1qjo n GLU 38 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1qjo n GLU 38 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qjo n GLY 39 N 0.00 0.73 0.00 8.31 0.00 -1.26 -1.47 105.19 111.49 1qjo n GLY 39 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qjo n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qjo n ASP 40 N 0.00 1.61 -0.85 1.61 5.68 -1.26 -5.00 116.55 118.34 1qjo n ASP 40 Ca 0.00 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1qjo n ASP 40 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1qjo n LYS 41 N -0.11 0.00 -3.20 0.11 2.85 -1.26 -4.30 118.16 112.24 1qjo n LYS 41 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1qjo n LYS 41 Cb 0.00 -1.15 -0.07 0.00 -0.65 0.00 0.00 35.03 33.16 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qjo n ALA 42 N 0.71 1.79 -1.70 0.58 0.00 -1.26 -5.12 120.51 115.50 1qjo n ALA 42 Ca 0.00 -2.79 -0.42 0.00 0.00 0.00 0.00 53.44 50.23 1qjo n ALA 42 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1qjo n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qjo n SER 43 N 2.35 3.97 -4.15 0.00 3.41 -1.26 -4.90 113.62 113.04 1qjo n SER 43 Ca 0.24 1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 59.78 1qjo n SER 43 Cb 0.52 -1.55 -0.10 0.00 -0.26 0.00 0.00 64.21 62.81 1qjo n SER 43 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qjo s MET 44 N 1.86 0.91 0.39 4.33 -1.94 -0.76 -5.03 119.30 119.05 1qjo s MET 44 Ca 0.78 -1.42 0.08 0.00 -1.71 0.00 0.00 55.69 53.42 1qjo s MET 44 Cb -0.51 0.19 -0.08 0.00 2.01 0.00 0.00 34.83 36.45 1qjo s MET 44 CO 0.35 -0.23 -0.02 -1.21 -0.01 0.00 0.00 175.02 173.90 1qjo s GLU 45 N -4.02 1.91 -0.13 2.03 8.01 -1.26 0.15 118.70 125.38 1qjo s GLU 45 Ca 0.22 -2.05 0.01 0.00 0.01 0.00 0.00 54.97 53.16 1qjo s GLU 45 Cb 0.07 -1.63 -0.01 0.00 -4.31 0.00 0.00 34.13 28.25 1qjo s GLU 45 CO 0.01 0.00 -0.16 0.14 0.01 0.00 0.00 175.26 175.26 1qjo s VAL 46 N -2.70 2.77 0.70 2.63 -7.23 -1.14 -4.88 120.40 110.54 1qjo s VAL 46 Ca 0.34 -0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 59.68 1qjo s VAL 46 Cb 0.08 -2.14 0.05 0.00 0.56 0.00 0.00 36.38 34.92 1qjo s VAL 46 CO 0.17 0.53 1.02 -2.16 -0.31 0.00 0.00 175.10 174.35 1qjo s PRO 47 N 0.41 2.34 -0.23 4.82 0.04 -1.26 0.20 135.00 141.30 1qjo s PRO 47 Ca -0.12 -0.13 -0.29 0.00 0.04 0.00 0.00 61.00 60.50 1qjo s PRO 47 Cb -0.16 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 1qjo s PRO 47 CO 0.06 -1.17 1.31 0.00 0.04 0.00 0.00 177.00 177.24 1qjo s ALA 48 N -3.25 3.49 0.59 8.56 0.00 -0.83 -4.47 121.76 125.86 1qjo s ALA 48 Ca 0.59 0.29 0.29 0.00 0.00 0.00 0.00 51.96 53.13 1qjo s ALA 48 Cb -0.11 -3.72 1.34 0.00 0.00 0.00 0.00 23.12 20.63 1qjo s ALA 48 CO 0.46 -1.53 1.72 -1.00 0.00 0.00 0.00 175.76 175.41 1qjo h PRO 49 N 8.95 0.00 0.00 0.00 0.13 -1.90 -3.33 132.00 135.85 1qjo h PRO 49 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1qjo h PRO 49 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qjo h PRO 49 CO 1.00 0.00 0.07 1.97 -0.23 0.00 0.00 178.00 180.81 1qjo n PHE 50 N -3.58 -1.35 -3.56 1.56 -1.74 -1.26 -4.88 117.46 102.64 1qjo n PHE 50 Ca 0.13 -0.67 -0.20 0.00 -0.56 0.00 0.00 57.45 56.16 1qjo n PHE 50 Cb 0.94 0.30 -0.02 0.00 1.52 0.00 0.00 39.48 42.22 1qjo n PHE 50 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1qjo s ALA 51 N -1.47 4.11 0.00 1.98 0.00 -1.26 -2.79 121.76 122.32 1qjo s ALA 51 Ca 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1qjo s ALA 51 Cb -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1qjo s ALA 51 CO 0.05 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1qjo n GLY 52 N -1.55 0.69 3.38 0.00 0.00 0.72 -4.56 105.19 103.86 1qjo n GLY 52 Ca 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 1qjo n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qjo s VAL 53 N -2.57 2.11 -1.15 1.61 1.01 -0.67 0.39 120.40 121.13 1qjo s VAL 53 Ca 0.00 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 59.86 1qjo s VAL 53 Cb 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1qjo s VAL 53 CO 0.00 -0.14 1.71 -0.69 0.00 0.00 0.00 175.10 175.97 1qjo s VAL 54 N -1.65 3.89 0.16 2.92 1.01 -0.78 -2.37 120.40 123.58 1qjo s VAL 54 Ca 0.17 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 1qjo s VAL 54 Cb -0.08 -4.91 0.03 0.00 0.00 0.00 0.00 36.38 31.42 1qjo s VAL 54 CO 0.08 -1.71 1.75 0.50 0.00 0.00 0.00 175.10 175.73 1qjo h LYS 55 N 9.05 0.67 -1.34 2.72 3.64 -1.57 0.21 116.57 129.95 1qjo h LYS 55 Ca 0.29 -0.09 0.27 0.00 -1.27 0.00 0.00 60.65 59.86 1qjo h LYS 55 Cb 0.94 -0.13 -0.20 0.00 -0.41 0.00 0.00 32.23 32.43 1qjo h LYS 55 CO 1.38 0.54 0.86 -2.00 -2.27 0.00 0.00 179.45 177.97 1qjo s GLU 56 N -5.81 0.22 0.13 1.90 2.12 -1.04 -4.73 118.70 111.48 1qjo s GLU 56 Ca -0.13 -0.07 -0.17 0.00 0.36 0.00 0.00 54.97 54.95 1qjo s GLU 56 Cb 0.11 0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.65 1qjo s GLU 56 CO 0.75 -0.10 0.44 -0.48 -0.54 0.00 0.00 175.26 175.33 1qjo s LEU 57 N -2.05 0.23 -0.35 2.70 2.34 -1.26 0.30 118.68 120.59 1qjo s LEU 57 Ca 0.10 -0.25 0.10 0.00 0.06 0.00 0.00 54.13 54.14 1qjo s LEU 57 Cb -0.01 1.97 0.45 0.00 -0.56 0.00 0.00 46.19 48.04 1qjo s LEU 57 CO -0.04 -0.87 1.10 0.29 -1.06 0.00 0.00 176.35 175.78 1qjo n LYS 58 N -0.22 2.84 -4.34 1.48 4.76 -1.25 -5.00 118.16 116.42 1qjo n LYS 58 Ca -0.16 -4.05 -0.18 0.00 -2.87 0.00 0.00 58.31 51.05 1qjo n LYS 58 Cb 0.64 -1.99 -0.10 0.00 -1.84 0.00 0.00 35.03 31.74 1qjo n LYS 58 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1qjo s VAL 59 N -4.60 1.49 0.39 -0.18 -7.23 -1.26 -5.10 120.40 103.91 1qjo s VAL 59 Ca 0.42 -2.13 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 1qjo s VAL 59 Cb 0.40 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1qjo s VAL 59 CO -0.06 -0.52 0.04 0.21 -0.31 0.00 0.00 175.10 174.45 1qjo s ASN 60 N -3.31 3.27 -0.57 4.85 3.84 -1.26 -5.07 114.94 116.69 1qjo s ASN 60 Ca 0.24 -1.42 -0.18 0.00 0.21 0.00 0.00 52.86 51.71 1qjo s ASN 60 Cb 0.02 -0.13 0.11 0.00 -0.55 0.00 0.00 41.25 40.71 1qjo s ASN 60 CO 0.07 -0.58 0.62 -0.69 -2.79 0.00 0.00 177.10 173.73 1qjo s VAL 61 N -2.98 4.98 0.00 -5.21 1.01 -1.26 -2.76 120.40 114.17 1qjo s VAL 61 Ca 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1qjo s VAL 61 Cb 0.08 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1qjo s VAL 61 CO 0.15 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.85 1qjo n GLY 62 N 5.27 0.68 3.97 4.51 0.00 0.18 -4.91 105.19 114.89 1qjo n GLY 62 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1qjo n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 63 N -0.69 5.44 -0.04 1.61 1.01 -1.11 -4.76 116.67 118.14 1qjo s ASP 63 Ca 0.00 -0.54 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 1qjo s ASP 63 Cb 0.00 -0.58 -0.04 0.00 1.01 0.00 0.00 42.92 43.31 1qjo s ASP 63 CO 0.00 -0.75 0.09 -1.59 0.21 0.00 0.00 175.17 173.13 1qjo s LYS 64 N -4.30 3.17 -0.06 8.23 0.00 -1.26 0.19 119.74 125.71 1qjo s LYS 64 Ca 0.53 -0.39 0.01 0.00 0.00 0.00 0.00 55.97 56.12 1qjo s LYS 64 Cb -0.08 -2.94 0.02 0.00 0.00 0.00 0.00 37.83 34.84 1qjo s LYS 64 CO 0.32 0.68 -0.06 0.14 0.00 0.00 0.00 175.35 176.43 1qjo s VAL 65 N -1.13 0.72 0.02 1.79 -7.23 0.10 -4.93 120.40 109.75 1qjo s VAL 65 Ca 0.20 -0.20 -0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1qjo s VAL 65 Cb -0.12 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 1qjo s VAL 65 CO 0.11 0.28 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.40 1qjo s LYS 66 N 1.06 0.36 -0.44 4.82 2.20 -1.26 -3.02 119.74 123.46 1qjo s LYS 66 Ca -0.08 -0.70 -0.45 0.00 -0.36 0.00 0.00 55.97 54.38 1qjo s LYS 66 Cb -0.14 0.12 -0.19 0.00 -1.51 0.00 0.00 37.83 36.12 1qjo s LYS 66 CO -0.01 -0.06 1.72 -2.37 -0.36 0.00 0.00 175.35 174.27 1qjo n THR 67 N 1.37 0.08 0.00 3.43 5.66 -1.23 -2.32 114.28 121.27 1qjo n THR 67 Ca -0.22 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1qjo n THR 67 Cb 0.56 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 1qjo n THR 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qjo n GLY 68 N 4.55 3.42 3.64 1.09 0.00 0.14 -4.88 105.19 113.14 1qjo n GLY 68 Ca 0.33 -0.98 -0.66 0.00 0.00 0.00 0.00 46.02 44.72 1qjo n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qjo n SER 69 N 0.00 1.16 -3.48 1.61 7.64 -0.98 -4.05 113.62 115.52 1qjo n SER 69 Ca 0.00 1.14 -0.37 0.00 1.01 0.00 0.00 58.87 60.65 1qjo n SER 69 Cb 0.00 -0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 1qjo n SER 69 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qjo n LEU 70 N 4.05 6.16 -0.04 -3.43 4.77 -1.26 -2.21 117.00 125.04 1qjo n LEU 70 Ca 0.31 -3.59 -0.13 0.00 -0.03 0.00 0.00 56.01 52.57 1qjo n LEU 70 Cb -0.06 -1.37 -0.07 0.00 -2.33 0.00 0.00 43.42 39.59 1qjo n LEU 70 CO 0.88 0.85 0.56 0.40 -1.33 0.00 0.00 177.39 178.74 1qjo h ILE 71 N 3.77 0.09 -3.88 -0.08 1.08 -1.35 -3.46 117.51 113.67 1qjo h ILE 71 Ca 0.59 0.00 -0.30 0.00 -0.39 0.00 0.00 64.86 64.76 1qjo h ILE 71 Cb 0.46 0.09 -0.15 0.00 -3.07 0.00 0.00 36.82 34.15 1qjo h ILE 71 CO 1.79 0.00 -0.64 0.00 -0.69 0.00 0.00 178.15 178.60 1qjo s MET 72 N -5.82 1.21 -0.21 2.37 0.23 -0.91 -3.92 119.30 112.24 1qjo s MET 72 Ca -0.15 -1.62 -0.04 0.00 -1.03 0.00 0.00 55.69 52.85 1qjo s MET 72 Cb 0.09 -0.18 -0.02 0.00 -1.53 0.00 0.00 34.83 33.19 1qjo s MET 72 CO 0.64 -0.22 -0.03 0.42 -2.03 0.00 0.00 175.02 173.80 1qjo s ILE 73 N -3.76 3.62 0.11 3.16 1.01 0.15 0.12 121.20 125.60 1qjo s ILE 73 Ca 0.30 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.62 1qjo s ILE 73 Cb 0.07 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1qjo s ILE 73 CO 0.08 0.43 -0.20 -0.36 0.00 0.00 0.00 174.94 174.89 1qjo s PHE 74 N 1.22 2.49 -0.06 3.97 0.40 0.47 -1.42 117.98 125.05 1qjo s PHE 74 Ca 0.03 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1qjo s PHE 74 Cb -0.14 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.06 1qjo s PHE 74 CO -0.00 0.35 -0.07 -2.00 0.70 0.00 0.00 175.22 174.20 1qjo s GLU 75 N -2.02 1.19 0.00 0.44 2.12 -1.00 0.10 118.70 119.53 1qjo s GLU 75 Ca 0.17 -0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.26 1qjo s GLU 75 Cb -0.10 -1.14 -0.12 0.00 0.26 0.00 0.00 34.13 33.03 1qjo s GLU 75 CO 0.09 -0.09 1.86 1.33 -0.54 0.00 0.00 175.26 177.91 1qjo n VAL 76 N 4.20 1.32 0.00 3.70 0.24 -1.22 -1.68 118.33 124.89 1qjo n VAL 76 Ca -0.21 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1qjo n VAL 76 Cb 0.51 -1.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 1qjo n VAL 76 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1qjo n GLU 77 N 2.76 0.00 0.00 7.34 2.13 -1.26 -4.45 120.64 127.16 1qjo n GLU 77 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1qjo n GLU 77 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qjo n GLY 78 N 0.00 0.56 2.47 8.31 0.00 -1.26 -4.95 105.19 110.32 1qjo n GLY 78 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1qjo n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjo n ALA 79 N 0.00 -1.71 -0.79 4.61 0.00 -1.26 -5.26 120.51 116.10 1qjo n ALA 79 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1qjo n ALA 79 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50