#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjo n VAL 2 N 0.00 0.49 -4.31 2.03 0.31 -1.26 -3.28 118.33 112.31 1qjo n VAL 2 Ca 0.00 -0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 63.97 1qjo n VAL 2 Cb 0.00 -1.77 -0.08 0.00 -0.91 0.00 0.00 33.84 31.08 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1qjo s LYS 3 N 4.30 2.16 0.19 5.55 -0.14 0.11 -4.93 119.74 126.98 1qjo s LYS 3 Ca 0.96 -1.57 0.06 0.00 -1.36 0.00 0.00 55.97 54.06 1qjo s LYS 3 Cb -0.76 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 1qjo s LYS 3 CO 0.53 0.27 0.11 -1.83 -0.76 0.00 0.00 175.35 173.67 1qjo s GLU 4 N -3.68 2.76 -0.16 1.68 1.03 -1.26 0.11 118.70 119.18 1qjo s GLU 4 Ca 0.33 -0.99 -0.04 0.00 0.03 0.00 0.00 54.97 54.30 1qjo s GLU 4 Cb -0.04 -2.53 0.05 0.00 -0.80 0.00 0.00 34.13 30.81 1qjo s GLU 4 CO 0.19 0.45 0.06 0.08 -1.33 0.00 0.00 175.26 174.72 1qjo s VAL 5 N -1.86 0.19 0.40 1.83 1.01 0.25 -4.74 120.40 117.48 1qjo s VAL 5 Ca 0.31 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1qjo s VAL 5 Cb -0.09 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 1qjo s VAL 5 CO 0.22 -0.17 0.57 0.54 0.00 0.00 0.00 175.10 176.26 1qjo s ASN 6 N 2.02 5.82 -0.01 3.32 4.22 -1.26 -1.01 114.94 128.04 1qjo s ASN 6 Ca 0.01 -0.08 -0.19 0.00 -2.14 0.00 0.00 52.86 50.47 1qjo s ASN 6 Cb -0.16 -1.20 -0.05 0.00 1.28 0.00 0.00 41.25 41.12 1qjo s ASN 6 CO -0.08 -0.62 0.54 -0.69 -2.04 0.00 0.00 177.10 174.21 1qjo s VAL 7 N -2.36 4.94 0.00 3.54 1.01 -0.77 -4.86 120.40 121.91 1qjo s VAL 7 Ca 0.48 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1qjo s VAL 7 Cb -0.10 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1qjo s VAL 7 CO 0.34 0.46 0.00 -0.81 0.00 0.00 0.00 175.10 175.08 1qjo n PRO 8 N 2.54 -0.15 -0.61 2.72 -0.04 -1.26 -0.15 135.00 138.04 1qjo n PRO 8 Ca -0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1qjo n PRO 8 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 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 -2.76 3.80 -1.66 3.54 5.68 -1.26 -4.14 116.55 119.75 1qjo n ASP 9 Ca 0.00 -2.18 -0.02 0.00 -0.50 0.00 0.00 54.79 52.09 1qjo n ASP 9 Cb 0.00 -0.92 -0.03 0.00 -1.14 0.00 0.00 41.12 39.02 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 3.67 2.00 0.00 2.12 -0.00 -1.26 -4.90 119.36 120.99 1qjo n ILE 10 Ca 0.33 -0.65 0.00 0.00 -0.00 0.00 0.00 62.75 62.43 1qjo n ILE 10 Cb 0.26 -1.56 0.00 0.00 -0.00 0.00 0.00 39.64 38.33 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 1.78 0.38 3.02 3.28 0.00 -1.26 -4.78 105.19 107.60 1qjo n GLY 11 Ca 0.09 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 4.09 7.00 -0.02 0.00 -1.26 -4.99 105.19 110.01 1qjo n GLY 12 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 2.14 0.00 0.00 1.61 8.00 -1.26 -4.89 116.55 122.15 1qjo n ASP 13 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1qjo n ASP 13 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1qjo n ASP 13 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qjo n GLU 14 N 14.00 0.00 -4.33 -1.24 -0.58 -1.26 -4.74 120.64 122.49 1qjo n GLU 14 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1qjo n GLU 14 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 1qjo n GLU 14 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1qjo s VAL 15 N 0.00 1.70 0.43 2.62 -7.23 -0.99 -4.65 120.40 112.27 1qjo s VAL 15 Ca 0.00 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.10 1qjo s VAL 15 Cb 0.00 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 1qjo s VAL 15 CO 0.00 -0.54 0.02 -1.83 -0.31 0.00 0.00 175.10 172.43 1qjo s GLU 16 N -3.43 1.98 -0.07 4.82 -1.05 0.38 -0.01 118.70 121.32 1qjo s GLU 16 Ca 0.20 -2.16 -0.01 0.00 -0.15 0.00 0.00 54.97 52.85 1qjo s GLU 16 Cb -0.02 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 32.12 1qjo s GLU 16 CO 0.06 -0.14 0.00 0.08 0.95 0.00 0.00 175.26 176.21 1qjo s VAL 17 N -2.81 4.28 -0.04 1.83 1.01 0.66 -0.37 120.40 124.96 1qjo s VAL 17 Ca 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1qjo s VAL 17 Cb 0.08 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1qjo s VAL 17 CO 0.14 0.57 -0.05 0.35 0.00 0.00 0.00 175.10 176.12 1qjo n THR 18 N 2.02 0.23 -3.93 3.92 -2.24 0.53 0.04 114.28 114.85 1qjo n THR 18 Ca -0.18 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 1qjo n THR 18 Cb 0.53 -1.19 -0.16 0.00 -2.10 0.00 0.00 70.33 67.42 1qjo n THR 18 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qjo s GLU 19 N -2.08 1.61 -1.26 -0.78 2.02 -1.19 -4.83 118.70 112.19 1qjo s GLU 19 Ca -0.06 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 1qjo s GLU 19 Cb 0.02 -2.32 0.18 0.00 0.10 0.00 0.00 34.13 32.10 1qjo s GLU 19 CO 0.08 -0.50 2.03 1.55 0.02 0.00 0.00 175.26 178.44 1qjo n VAL 20 N 4.76 4.97 -0.12 2.63 3.14 -1.26 -0.55 118.33 131.90 1qjo n VAL 20 Ca -0.12 -4.67 0.07 0.00 -2.96 0.00 0.00 64.34 56.65 1qjo n VAL 20 Cb 0.46 -2.15 0.13 0.00 -1.06 0.00 0.00 33.84 31.22 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 2.39 -0.03 -4.41 1.45 0.00 -0.91 -4.51 117.12 111.11 1qjo n MET 21 Ca 0.48 0.51 -0.21 0.00 0.00 0.00 0.00 57.70 58.48 1qjo n MET 21 Cb 0.30 -0.83 -0.10 0.00 0.00 0.00 0.00 33.22 32.59 1qjo n MET 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1qjo s VAL 22 N -4.97 1.75 0.00 2.03 -7.23 -1.19 -5.03 120.40 105.77 1qjo s VAL 22 Ca -0.04 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 1qjo s VAL 22 Cb 0.11 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1qjo s VAL 22 CO 0.27 -0.40 0.00 0.29 -0.31 0.00 0.00 175.10 174.95 1qjo n LYS 23 N -0.53 1.64 -2.12 4.82 5.02 -1.26 -5.03 118.16 120.70 1qjo n LYS 23 Ca -0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.80 1qjo n LYS 23 Cb 0.62 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.61 1qjo n LYS 23 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qjo s VAL 24 N -0.74 3.65 0.00 -0.18 1.01 -1.26 -2.36 120.40 120.52 1qjo s VAL 24 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1qjo s VAL 24 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1qjo s VAL 24 CO 0.00 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1qjo n GLY 25 N 5.09 0.68 3.86 4.51 0.00 -0.60 -5.00 105.19 113.73 1qjo n GLY 25 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.91 6.70 -0.28 1.61 1.01 -0.99 -4.84 116.67 117.97 1qjo s ASP 26 Ca 0.00 0.89 -0.29 0.00 0.71 0.00 0.00 52.55 53.86 1qjo s ASP 26 Cb 0.00 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1qjo s ASP 26 CO 0.00 0.13 1.48 -0.54 0.21 0.00 0.00 175.17 176.45 1qjo s LYS 27 N -1.99 3.79 -0.35 8.23 1.02 -1.26 -2.29 119.74 126.89 1qjo s LYS 27 Ca 0.35 1.40 -0.08 0.00 0.02 0.00 0.00 55.97 57.66 1qjo s LYS 27 Cb -0.14 -3.98 0.03 0.00 -0.52 0.00 0.00 37.83 33.22 1qjo s LYS 27 CO 0.19 -1.29 0.14 0.08 -0.92 0.00 0.00 175.35 173.55 1qjo s VAL 28 N 4.99 4.05 0.14 3.17 1.01 0.16 -4.99 120.40 128.94 1qjo s VAL 28 Ca 0.65 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.71 1qjo s VAL 28 Cb -0.20 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1qjo s VAL 28 CO 0.27 -0.18 -0.22 0.00 0.00 0.00 0.00 175.10 174.97 1qjo s ALA 29 N 1.46 2.14 0.84 5.51 0.00 -1.26 0.95 121.76 131.40 1qjo s ALA 29 Ca -0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.35 1qjo s ALA 29 Cb -0.19 -0.28 -0.13 0.00 0.00 0.00 0.00 23.12 22.52 1qjo s ALA 29 CO 0.04 0.38 -0.43 0.00 0.00 0.00 0.00 175.76 175.75 1qjo n ALA 30 N 0.68 -4.34 0.00 0.00 0.00 -1.21 -1.49 120.51 114.14 1qjo n ALA 30 Ca -0.16 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1qjo n ALA 30 Cb 0.55 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1qjo n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qjo n GLU 31 N 1.68 0.00 -2.79 0.00 4.71 -1.26 -4.80 120.64 118.17 1qjo n GLU 31 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.74 1qjo n GLU 31 Cb 0.53 -3.54 -0.04 0.00 -1.01 0.00 0.00 31.44 27.38 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1qjo s GLN 32 N 0.00 3.49 -0.50 3.49 -0.44 -0.55 -4.82 119.66 120.33 1qjo s GLN 32 Ca 0.00 0.09 -0.46 0.00 -2.50 0.00 0.00 55.36 52.49 1qjo s GLN 32 Cb 0.00 -3.96 -0.20 0.00 -1.64 0.00 0.00 33.01 27.21 1qjo s GLN 32 CO 0.00 -1.33 1.70 -1.13 0.50 0.00 0.00 175.29 175.03 1qjo n SER 33 N 7.37 1.15 -0.06 6.67 3.41 -1.26 -2.67 113.62 128.23 1qjo n SER 33 Ca 0.06 1.10 -0.02 0.00 -0.26 0.00 0.00 58.87 59.74 1qjo n SER 33 Cb 0.48 -0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 1qjo n SER 33 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qjo h LEU 34 N 5.75 0.00 -7.70 1.04 3.38 -0.36 -3.39 115.31 114.03 1qjo h LEU 34 Ca -0.38 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.45 1qjo h LEU 34 Cb 1.38 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.93 1qjo h LEU 34 CO 1.00 0.59 -0.44 0.27 0.09 0.00 0.00 178.44 179.95 1qjo s ILE 35 N -1.86 0.08 -0.18 1.22 -4.36 -0.71 -2.13 121.20 113.26 1qjo s ILE 35 Ca -0.08 -0.66 -0.08 0.00 -0.26 0.00 0.00 60.65 59.57 1qjo s ILE 35 Cb 0.01 -0.49 -0.04 0.00 1.25 0.00 0.00 42.46 43.18 1qjo s ILE 35 CO 0.12 -0.36 0.09 -0.89 0.24 0.00 0.00 174.94 174.14 1qjo s THR 36 N -1.43 5.08 -0.04 8.37 2.01 0.29 -0.66 115.64 129.26 1qjo s THR 36 Ca -0.14 0.07 0.06 0.00 0.31 0.00 0.00 61.69 61.99 1qjo s THR 36 Cb -0.07 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1qjo s THR 36 CO 0.02 0.47 -0.23 0.68 -0.69 0.00 0.00 174.62 174.87 1qjo s VAL 37 N 0.19 1.88 0.09 3.82 -7.23 0.98 -0.35 120.40 119.79 1qjo s VAL 37 Ca 0.06 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.28 1qjo s VAL 37 Cb -0.12 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1qjo s VAL 37 CO -0.00 0.53 0.07 -1.61 -0.31 0.00 0.00 175.10 173.78 1qjo s GLU 38 N -0.30 2.83 0.31 4.82 8.01 0.50 -0.64 118.70 134.24 1qjo s GLU 38 Ca 0.02 -0.74 0.05 0.00 0.01 0.00 0.00 54.97 54.31 1qjo s GLU 38 Cb -0.11 -2.69 -0.03 0.00 -4.31 0.00 0.00 34.13 26.99 1qjo s GLU 38 CO 0.01 0.55 0.22 0.20 0.01 0.00 0.00 175.26 176.25 1qjo s GLY 39 N -2.48 2.18 0.10 -1.39 0.00 0.52 -0.47 107.32 105.78 1qjo s GLY 39 Ca 0.29 -1.87 -0.35 0.00 0.00 0.00 0.00 44.72 42.80 1qjo s GLY 39 CO 0.22 -1.52 1.58 1.34 0.00 0.00 0.00 173.10 174.71 1qjo n ASP 40 N -1.22 2.86 0.00 1.64 2.03 -1.26 -2.33 116.55 118.26 1qjo n ASP 40 Ca 0.04 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1qjo n ASP 40 Cb 0.64 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qjo n LYS 41 N 3.74 -0.62 -5.28 -0.67 4.76 -1.26 -4.88 118.16 113.96 1qjo n LYS 41 Ca 0.18 0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.33 1qjo n LYS 41 Cb 0.27 -1.75 -0.16 0.00 -1.84 0.00 0.00 35.03 31.55 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qjo s ALA 42 N -0.09 2.13 -0.07 7.82 0.00 -0.99 -5.14 121.76 125.43 1qjo s ALA 42 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1qjo s ALA 42 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1qjo s ALA 42 CO 0.00 0.52 -0.14 -1.54 0.00 0.00 0.00 175.76 174.61 1qjo s SER 43 N -0.62 4.05 0.02 0.00 1.04 -1.26 -0.36 113.70 116.57 1qjo s SER 43 Ca 0.10 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 1qjo s SER 43 Cb -0.10 -1.05 -0.00 0.00 0.10 0.00 0.00 66.02 64.97 1qjo s SER 43 CO -0.01 0.30 0.15 -0.04 0.98 0.00 0.00 173.24 174.62 1qjo s MET 44 N -0.46 0.58 -0.07 4.02 -1.94 0.19 -5.01 119.30 116.60 1qjo s MET 44 Ca 0.06 -0.56 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1qjo s MET 44 Cb -0.12 0.24 -0.03 0.00 2.01 0.00 0.00 34.83 36.93 1qjo s MET 44 CO 0.02 -0.15 -0.10 -1.21 -0.01 0.00 0.00 175.02 173.57 1qjo s GLU 45 N -2.05 2.75 -0.29 2.03 8.01 -1.26 -0.01 118.70 127.87 1qjo s GLU 45 Ca -0.09 -0.62 -0.04 0.00 0.01 0.00 0.00 54.97 54.23 1qjo s GLU 45 Cb -0.04 -2.52 0.03 0.00 -4.31 0.00 0.00 34.13 27.29 1qjo s GLU 45 CO -0.02 0.59 0.02 0.08 0.01 0.00 0.00 175.26 175.95 1qjo s VAL 46 N -0.63 3.35 0.82 2.63 1.01 0.16 -4.98 120.40 122.76 1qjo s VAL 46 Ca 0.09 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1qjo s VAL 46 Cb -0.11 -2.81 0.15 0.00 0.00 0.00 0.00 36.38 33.61 1qjo s VAL 46 CO 0.01 0.01 1.13 -2.16 0.00 0.00 0.00 175.10 174.10 1qjo s PRO 47 N 1.36 1.30 -0.58 2.72 0.04 -1.26 0.33 135.00 138.91 1qjo s PRO 47 Ca -0.01 -0.73 -0.26 0.00 0.04 0.00 0.00 61.00 60.04 1qjo s PRO 47 Cb -0.18 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1qjo s PRO 47 CO -0.00 -1.83 2.26 0.00 0.04 0.00 0.00 177.00 177.47 1qjo s ALA 48 N -3.47 1.63 0.26 8.56 0.00 -1.09 -4.55 121.76 123.10 1qjo s ALA 48 Ca 0.69 -0.31 0.11 0.00 0.00 0.00 0.00 51.96 52.44 1qjo s ALA 48 Cb -0.05 -4.38 0.85 0.00 0.00 0.00 0.00 23.12 19.54 1qjo s ALA 48 CO 0.48 -4.55 1.14 -2.30 0.00 0.00 0.00 175.76 170.54 1qjo n PRO 49 N 9.02 -0.05 -2.64 0.00 -0.02 -1.26 -3.77 135.00 136.28 1qjo n PRO 49 Ca 0.34 1.03 -0.06 0.00 -2.02 0.00 0.00 63.50 62.79 1qjo n PRO 49 Cb 0.52 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 1qjo n PRO 49 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1qjo n PHE 50 N -4.75 -0.71 -4.03 6.00 1.16 -1.26 -4.92 117.46 108.95 1qjo n PHE 50 Ca 0.24 -1.00 -0.27 0.00 -1.87 0.00 0.00 57.45 54.56 1qjo n PHE 50 Cb 0.82 0.20 -0.05 0.00 -1.61 0.00 0.00 39.48 38.84 1qjo n PHE 50 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qjo s ALA 51 N -2.19 3.70 0.00 1.98 0.00 -1.26 -3.36 121.76 120.64 1qjo s ALA 51 Ca 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1qjo s ALA 51 Cb -0.00 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1qjo s ALA 51 CO 0.09 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1qjo n GLY 52 N -0.33 0.97 3.96 0.00 0.00 0.27 -4.70 105.19 105.36 1qjo n GLY 52 Ca -0.08 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.51 4.69 -0.22 1.61 1.01 -1.21 0.41 120.40 125.18 1qjo s VAL 53 Ca 0.00 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 1qjo s VAL 53 Cb 0.00 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1qjo s VAL 53 CO 0.00 -0.27 0.88 -0.69 0.00 0.00 0.00 175.10 175.03 1qjo s VAL 54 N -2.08 4.81 -0.23 2.92 1.01 -0.97 -0.15 120.40 125.71 1qjo s VAL 54 Ca 0.38 1.70 -0.19 0.00 0.00 0.00 0.00 61.98 63.87 1qjo s VAL 54 Cb -0.09 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 1qjo s VAL 54 CO 0.29 -0.07 0.02 1.17 0.00 0.00 0.00 175.10 176.52 1qjo n LYS 55 N 5.85 0.58 -3.72 2.72 0.00 0.19 -1.56 118.16 122.21 1qjo n LYS 55 Ca 0.07 0.47 -0.10 0.00 0.00 0.00 0.00 58.31 58.75 1qjo n LYS 55 Cb 0.48 -1.66 -0.05 0.00 0.00 0.00 0.00 35.03 33.80 1qjo n LYS 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1qjo s GLU 56 N -2.41 1.22 -0.22 1.64 2.12 -0.07 -4.80 118.70 116.16 1qjo s GLU 56 Ca -0.32 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 53.88 1qjo s GLU 56 Cb 0.09 0.48 0.14 0.00 0.26 0.00 0.00 34.13 35.10 1qjo s GLU 56 CO 0.56 -0.49 1.12 -0.48 -0.54 0.00 0.00 175.26 175.43 1qjo s LEU 57 N -2.86 -0.30 -0.45 2.70 2.34 -1.26 0.19 118.68 119.04 1qjo s LEU 57 Ca 0.08 0.41 0.07 0.00 0.06 0.00 0.00 54.13 54.75 1qjo s LEU 57 Cb 0.01 1.65 0.40 0.00 -0.56 0.00 0.00 46.19 47.69 1qjo s LEU 57 CO -0.06 -0.21 1.04 0.29 -1.06 0.00 0.00 176.35 176.35 1qjo n LYS 58 N 1.12 2.99 -4.51 1.48 5.02 -1.19 -5.04 118.16 118.03 1qjo n LYS 58 Ca -0.09 -4.37 -0.25 0.00 -2.02 0.00 0.00 58.31 51.58 1qjo n LYS 58 Cb 0.57 -2.09 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 1qjo n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qjo s VAL 59 N -4.86 2.12 0.13 -0.18 0.11 -1.26 -5.06 120.40 111.40 1qjo s VAL 59 Ca 0.45 -2.20 0.00 0.00 -2.93 0.00 0.00 61.98 57.30 1qjo s VAL 59 Cb 0.38 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 1qjo s VAL 59 CO -0.14 -0.24 0.00 0.21 -3.33 0.00 0.00 175.10 171.60 1qjo s ASN 60 N -3.56 0.78 -1.17 3.54 3.84 -1.26 -5.05 114.94 112.06 1qjo s ASN 60 Ca 0.32 -1.13 -0.08 0.00 0.21 0.00 0.00 52.86 52.17 1qjo s ASN 60 Cb 0.02 0.19 0.24 0.00 -0.55 0.00 0.00 41.25 41.15 1qjo s ASN 60 CO 0.15 -0.61 1.53 0.52 -2.79 0.00 0.00 177.10 175.90 1qjo n VAL 61 N -0.10 4.73 0.00 -5.21 0.31 -1.26 -2.63 118.33 114.16 1qjo n VAL 61 Ca -0.08 -5.18 0.00 0.00 -0.01 0.00 0.00 64.34 59.07 1qjo n VAL 61 Cb 0.63 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1qjo n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qjo n GLY 62 N 2.45 0.11 3.69 2.92 0.00 0.11 -4.78 105.19 109.69 1qjo n GLY 62 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1qjo n GLY 62 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qjo s ASP 63 N -0.21 3.96 -0.08 1.61 -4.77 -1.08 -4.84 116.67 111.27 1qjo s ASP 63 Ca 0.00 -1.52 0.02 0.00 -3.30 0.00 0.00 52.55 47.75 1qjo s ASP 63 Cb 0.00 0.09 -0.02 0.00 -1.09 0.00 0.00 42.92 41.90 1qjo s ASP 63 CO 0.00 -0.67 -0.14 -1.59 0.70 0.00 0.00 175.17 173.47 1qjo s LYS 64 N -3.80 2.78 0.35 2.11 0.00 -1.26 -0.24 119.74 119.69 1qjo s LYS 64 Ca 0.20 -0.69 0.09 0.00 0.00 0.00 0.00 55.97 55.56 1qjo s LYS 64 Cb 0.06 -2.46 -0.06 0.00 0.00 0.00 0.00 37.83 35.37 1qjo s LYS 64 CO 0.10 0.49 -0.01 0.14 0.00 0.00 0.00 175.35 176.07 1qjo s VAL 65 N -0.38 2.41 -0.11 1.79 -7.23 0.98 -4.97 120.40 112.89 1qjo s VAL 65 Ca 0.04 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 1qjo s VAL 65 Cb -0.12 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.06 1qjo s VAL 65 CO 0.02 -0.16 0.29 -0.75 -0.31 0.00 0.00 175.10 174.18 1qjo s LYS 66 N -3.69 0.33 0.04 4.82 2.20 -1.26 -2.36 119.74 119.81 1qjo s LYS 66 Ca 0.34 0.41 -0.35 0.00 -0.36 0.00 0.00 55.97 56.02 1qjo s LYS 66 Cb 0.02 0.15 -0.14 0.00 -1.51 0.00 0.00 37.83 36.35 1qjo s LYS 66 CO 0.18 -0.05 1.67 -2.37 -0.36 0.00 0.00 175.35 174.43 1qjo n THR 67 N 3.01 0.22 0.00 3.43 5.66 -1.26 -2.01 114.28 123.34 1qjo n THR 67 Ca -0.14 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1qjo n THR 67 Cb 0.58 -1.56 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 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 3.71 2.98 3.69 1.09 0.00 0.78 -4.93 105.19 112.52 1qjo n GLY 68 Ca 0.20 -1.03 -0.52 0.00 0.00 0.00 0.00 46.02 44.67 1qjo n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qjo n SER 69 N 0.25 2.96 -3.42 1.61 2.88 -0.85 -4.34 113.62 112.71 1qjo n SER 69 Ca 0.00 1.02 -0.35 0.00 -1.33 0.00 0.00 58.87 58.21 1qjo n SER 69 Cb 0.00 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 62.16 1qjo n SER 69 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qjo n LEU 70 N 5.91 6.12 -0.29 2.46 4.32 -1.26 -1.85 117.00 132.41 1qjo n LEU 70 Ca 0.24 -3.52 0.12 0.00 -0.02 0.00 0.00 56.01 52.83 1qjo n LEU 70 Cb 0.22 -1.33 0.27 0.00 -1.62 0.00 0.00 43.42 40.96 1qjo n LEU 70 CO 0.76 0.87 0.95 0.40 -1.22 0.00 0.00 177.39 179.15 1qjo h ILE 71 N 3.67 0.36 -4.10 -0.08 1.08 -1.40 -3.44 117.51 113.61 1qjo h ILE 71 Ca 0.59 -0.08 -0.13 0.00 -0.39 0.00 0.00 64.86 64.86 1qjo h ILE 71 Cb 0.40 0.10 -0.16 0.00 -3.07 0.00 0.00 36.82 34.09 1qjo h ILE 71 CO 1.74 0.04 -0.63 0.00 -0.69 0.00 0.00 178.15 178.61 1qjo s MET 72 N -5.95 0.58 -0.11 2.37 0.23 -1.00 -3.19 119.30 112.24 1qjo s MET 72 Ca -0.12 -1.03 0.03 0.00 -1.03 0.00 0.00 55.69 53.54 1qjo s MET 72 Cb 0.25 0.21 -0.00 0.00 -1.53 0.00 0.00 34.83 33.76 1qjo s MET 72 CO 0.77 -0.12 -0.23 0.96 -2.03 0.00 0.00 175.02 174.37 1qjo s ILE 73 N -3.35 2.17 0.09 3.16 -4.36 0.13 0.87 121.20 119.91 1qjo s ILE 73 Ca 0.02 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.44 1qjo s ILE 73 Cb 0.04 -1.84 0.02 0.00 1.25 0.00 0.00 42.46 41.92 1qjo s ILE 73 CO -0.08 0.55 0.13 0.49 0.24 0.00 0.00 174.94 176.27 1qjo n PHE 74 N 3.57 -3.03 -2.88 1.37 3.72 0.31 0.53 117.46 121.05 1qjo n PHE 74 Ca -0.19 -0.30 -0.07 0.00 -0.05 0.00 0.00 57.45 56.84 1qjo n PHE 74 Cb 0.53 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.97 1qjo n PHE 74 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1qjo s GLU 75 N -2.52 1.03 -0.92 -1.08 2.56 0.79 0.08 118.70 118.65 1qjo s GLU 75 Ca 0.09 -1.16 -0.10 0.00 0.00 0.00 0.00 54.97 53.80 1qjo s GLU 75 Cb -0.01 -0.24 -0.30 0.00 2.00 0.00 0.00 34.13 35.58 1qjo s GLU 75 CO 0.06 -1.33 2.02 1.33 -0.56 0.00 0.00 175.26 176.79 1qjo n VAL 76 N 3.04 0.00 -3.67 3.70 0.24 -1.21 -2.92 118.33 117.50 1qjo n VAL 76 Ca 0.19 -0.42 -0.25 0.00 -2.04 0.00 0.00 64.34 61.82 1qjo n VAL 76 Cb 0.55 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1qjo n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qjo n GLU 77 N 5.30 -0.97 0.01 7.34 -0.58 -1.26 -3.61 120.64 126.88 1qjo n GLU 77 Ca 0.62 0.39 -0.01 0.00 -0.42 0.00 0.00 57.16 57.74 1qjo n GLU 77 Cb 0.12 -1.73 -0.00 0.00 -0.57 0.00 0.00 31.44 29.26 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qjo n GLY 78 N -1.54 -0.10 0.00 0.62 0.00 -1.15 -4.88 105.19 98.14 1qjo n GLY 78 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.28 0.00 0.00 4.61 0.00 -1.26 -5.11 120.51 115.47 1qjo n ALA 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1qjo n ALA 79 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50