#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 0.08 -4.28 2.03 0.31 -1.26 -4.40 118.33 110.81 1qjo n VAL 2 Ca 0.00 -0.02 -0.15 0.00 -0.01 0.00 0.00 64.34 64.16 1qjo n VAL 2 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 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 -0.04 1.25 0.21 5.55 -0.14 0.36 -4.95 119.74 121.98 1qjo s LYS 3 Ca 0.05 -1.63 0.07 0.00 -1.36 0.00 0.00 55.97 53.09 1qjo s LYS 3 Cb -0.07 -0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 35.73 1qjo s LYS 3 CO 0.04 -0.18 0.12 -1.21 -0.76 0.00 0.00 175.35 173.35 1qjo s GLU 4 N -3.95 2.75 -0.26 1.68 8.01 -1.26 -0.48 118.70 125.18 1qjo s GLU 4 Ca 0.29 -1.05 0.01 0.00 0.01 0.00 0.00 54.97 54.24 1qjo s GLU 4 Cb 0.07 -2.50 0.07 0.00 -4.31 0.00 0.00 34.13 27.45 1qjo s GLU 4 CO 0.08 0.43 -0.01 0.08 0.01 0.00 0.00 175.26 175.85 1qjo s VAL 5 N -1.96 1.51 0.12 2.63 1.01 0.37 -4.55 120.40 119.52 1qjo s VAL 5 Ca 0.31 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1qjo s VAL 5 Cb -0.09 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1qjo s VAL 5 CO 0.23 -0.27 0.21 0.54 0.00 0.00 0.00 175.10 175.80 1qjo s ASN 6 N 1.37 6.07 0.14 3.32 4.22 -1.26 -0.89 114.94 127.91 1qjo s ASN 6 Ca -0.01 0.12 -0.30 0.00 -2.14 0.00 0.00 52.86 50.52 1qjo s ASN 6 Cb -0.19 -1.77 -0.08 0.00 1.28 0.00 0.00 41.25 40.49 1qjo s ASN 6 CO -0.09 0.11 1.28 -0.69 -2.04 0.00 0.00 177.10 175.66 1qjo s VAL 7 N -1.63 3.52 0.62 3.54 1.01 -0.89 -4.67 120.40 121.91 1qjo s VAL 7 Ca 0.33 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 1qjo s VAL 7 Cb -0.12 -3.75 0.15 0.00 0.00 0.00 0.00 36.38 32.67 1qjo s VAL 7 CO 0.26 0.13 0.60 -0.81 0.00 0.00 0.00 175.10 175.29 1qjo n PRO 8 N 3.27 -1.84 -0.18 2.72 -0.04 -1.26 -1.14 135.00 136.53 1qjo n PRO 8 Ca 0.08 -0.96 -0.02 0.00 -0.04 0.00 0.00 63.50 62.57 1qjo n PRO 8 Cb 0.44 -0.83 -0.02 0.00 -0.04 0.00 0.00 33.50 33.04 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 -3.88 1.15 -2.53 3.54 5.75 -1.26 -3.82 116.55 115.50 1qjo n ASP 9 Ca 0.08 -1.57 -0.17 0.00 -0.01 0.00 0.00 54.79 53.12 1qjo n ASP 9 Cb 0.31 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 40.02 1qjo n ASP 9 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1qjo n ILE 10 N 2.54 2.65 -0.27 2.12 -5.35 -1.26 -4.93 119.36 114.87 1qjo n ILE 10 Ca 0.06 -1.44 -0.05 0.00 -0.27 0.00 0.00 62.75 61.05 1qjo n ILE 10 Cb 0.17 -2.05 -0.04 0.00 -1.74 0.00 0.00 39.64 35.98 1qjo n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qjo n GLY 11 N 3.01 -0.09 0.00 3.28 0.00 -1.26 -4.45 105.19 105.67 1qjo n GLY 11 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 1.03 0.00 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.85 1qjo n GLY 12 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 0.00 1.61 8.00 -1.26 -4.06 116.55 120.84 1qjo n ASP 13 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qjo n ASP 13 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qjo n ASP 13 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1qjo n GLU 14 N 0.00 0.00 -4.11 -1.24 4.07 -1.26 -5.10 120.64 113.00 1qjo n GLU 14 Ca 0.00 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.85 1qjo n GLU 14 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 1qjo n GLU 14 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1qjo s VAL 15 N -0.15 4.35 0.39 6.31 -7.23 -0.85 -4.83 120.40 118.39 1qjo s VAL 15 Ca 0.00 -1.22 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 1qjo s VAL 15 Cb 0.00 -3.25 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 1qjo s VAL 15 CO 0.00 -0.17 0.57 -1.61 -0.31 0.00 0.00 175.10 173.58 1qjo s GLU 16 N -3.26 3.13 -0.31 4.82 2.02 -0.27 0.03 118.70 124.87 1qjo s GLU 16 Ca 0.31 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 1qjo s GLU 16 Cb -0.09 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 1qjo s GLU 16 CO 0.23 -0.07 0.16 0.08 0.02 0.00 0.00 175.26 175.68 1qjo s VAL 17 N -2.36 4.75 -0.22 2.63 1.01 0.49 0.15 120.40 126.84 1qjo s VAL 17 Ca 0.46 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1qjo s VAL 17 Cb -0.10 -3.40 -0.19 0.00 0.00 0.00 0.00 36.38 32.70 1qjo s VAL 17 CO 0.35 0.09 -0.06 1.07 0.00 0.00 0.00 175.10 176.54 1qjo n THR 18 N 5.00 1.58 -3.76 3.92 5.66 0.57 -0.17 114.28 127.08 1qjo n THR 18 Ca -0.14 -0.54 -0.29 0.00 -3.05 0.00 0.00 64.05 60.04 1qjo n THR 18 Cb 0.50 -1.60 -0.16 0.00 -1.55 0.00 0.00 70.33 67.52 1qjo n THR 18 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1qjo s GLU 19 N -2.52 0.82 -1.21 1.09 2.02 -0.97 -4.90 118.70 113.04 1qjo s GLU 19 Ca -0.32 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 53.74 1qjo s GLU 19 Cb 0.09 -2.12 -0.06 0.00 0.10 0.00 0.00 34.13 32.13 1qjo s GLU 19 CO 0.63 -0.80 2.37 1.55 0.02 0.00 0.00 175.26 179.03 1qjo n VAL 20 N 4.90 3.11 -0.05 2.63 3.14 -1.26 -0.09 118.33 130.70 1qjo n VAL 20 Ca -0.06 -2.11 0.04 0.00 -2.96 0.00 0.00 64.34 59.25 1qjo n VAL 20 Cb 0.44 -2.40 0.08 0.00 -1.06 0.00 0.00 33.84 30.90 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 4.81 -0.01 -4.43 1.45 2.81 -1.08 -4.51 117.12 116.16 1qjo n MET 21 Ca 0.58 0.23 -0.26 0.00 -1.81 0.00 0.00 57.70 56.43 1qjo n MET 21 Cb 0.25 -0.39 -0.11 0.00 -0.71 0.00 0.00 33.22 32.26 1qjo n MET 21 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1qjo s VAL 22 N -4.48 2.41 0.36 2.03 1.01 -0.82 -5.01 120.40 115.91 1qjo s VAL 22 Ca -0.02 -2.08 0.04 0.00 0.00 0.00 0.00 61.98 59.92 1qjo s VAL 22 Cb 0.05 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1qjo s VAL 22 CO 0.12 -0.17 0.13 -0.75 0.00 0.00 0.00 175.10 174.43 1qjo s LYS 23 N -2.83 1.77 -0.85 2.72 2.20 -1.26 -5.01 119.74 116.49 1qjo s LYS 23 Ca 0.23 -2.04 -0.20 0.00 -0.36 0.00 0.00 55.97 53.59 1qjo s LYS 23 Cb -0.07 -0.50 -0.21 0.00 -1.51 0.00 0.00 37.83 35.54 1qjo s LYS 23 CO 0.11 -0.41 2.34 0.28 -0.36 0.00 0.00 175.35 177.31 1qjo n VAL 24 N -0.76 -0.01 0.00 4.02 0.31 -1.26 -0.67 118.33 119.96 1qjo n VAL 24 Ca -0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1qjo n VAL 24 Cb 0.65 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 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 6.31 0.99 3.85 2.92 0.00 0.57 -4.99 105.19 114.84 1qjo n GLY 25 Ca 0.54 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.08 6.72 -0.01 1.61 1.01 0.15 -4.79 116.67 121.29 1qjo s ASP 26 Ca 0.00 0.89 -0.30 0.00 0.71 0.00 0.00 52.55 53.85 1qjo s ASP 26 Cb 0.00 -2.22 -0.06 0.00 1.01 0.00 0.00 42.92 41.65 1qjo s ASP 26 CO 0.00 0.20 1.65 -0.54 0.21 0.00 0.00 175.17 176.69 1qjo s LYS 27 N -1.68 4.19 -0.24 8.23 -0.14 -1.26 -1.14 119.74 127.70 1qjo s LYS 27 Ca 0.31 2.23 -0.01 0.00 -1.36 0.00 0.00 55.97 57.14 1qjo s LYS 27 Cb -0.15 -3.86 0.03 0.00 -1.68 0.00 0.00 37.83 32.17 1qjo s LYS 27 CO 0.17 -0.80 -0.08 0.08 -0.76 0.00 0.00 175.35 173.96 1qjo s VAL 28 N 3.55 2.74 0.13 3.17 1.01 0.83 -4.92 120.40 126.92 1qjo s VAL 28 Ca 0.74 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1qjo s VAL 28 Cb -0.35 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1qjo s VAL 28 CO 0.31 0.21 -0.23 0.00 0.00 0.00 0.00 175.10 175.39 1qjo s ALA 29 N 1.30 2.10 0.90 5.51 0.00 -1.26 0.69 121.76 131.00 1qjo s ALA 29 Ca -0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 1qjo s ALA 29 Cb -0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1qjo s ALA 29 CO -0.05 0.40 0.06 0.00 0.00 0.00 0.00 175.76 176.17 1qjo n ALA 30 N 0.79 -3.24 0.00 0.00 0.00 -1.18 -1.82 120.51 115.07 1qjo n ALA 30 Ca -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1qjo n ALA 30 Cb 0.54 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1qjo n ALA 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qjo n GLU 31 N -0.15 0.00 -2.44 0.00 2.13 -1.26 -4.82 120.64 114.10 1qjo n GLU 31 Ca 0.05 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.45 1qjo n GLU 31 Cb 0.53 -1.25 -0.03 0.00 0.27 0.00 0.00 31.44 30.97 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1qjo s GLN 32 N 0.00 3.35 -0.45 5.31 0.74 -0.75 -4.75 119.66 123.11 1qjo s GLN 32 Ca 0.00 0.38 -0.42 0.00 0.05 0.00 0.00 55.36 55.37 1qjo s GLN 32 Cb 0.00 -4.10 -0.18 0.00 1.10 0.00 0.00 33.01 29.83 1qjo s GLN 32 CO 0.00 -1.88 1.43 0.45 -0.55 0.00 0.00 175.29 174.74 1qjo n SER 33 N 9.30 1.08 -0.09 6.67 2.88 -1.26 -2.52 113.62 129.67 1qjo n SER 33 Ca 0.11 1.07 -0.17 0.00 -1.33 0.00 0.00 58.87 58.55 1qjo n SER 33 Cb 0.49 -0.79 -0.11 0.00 -0.75 0.00 0.00 64.21 63.05 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 4.47 0.00 -7.45 2.46 3.38 -0.06 -3.42 115.31 114.69 1qjo h LEU 34 Ca -0.39 -0.64 -0.17 0.00 0.09 0.00 0.00 57.88 56.77 1qjo h LEU 34 Cb 1.23 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.71 1qjo h LEU 34 CO 0.88 1.22 -0.44 0.27 0.09 0.00 0.00 178.44 180.46 1qjo s ILE 35 N -2.27 -0.01 -0.08 1.22 -4.36 -0.81 -1.94 121.20 112.95 1qjo s ILE 35 Ca -0.23 0.04 -0.26 0.00 -0.26 0.00 0.00 60.65 59.94 1qjo s ILE 35 Cb 0.02 -0.36 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 1qjo s ILE 35 CO 0.58 0.02 0.81 -0.89 0.24 0.00 0.00 174.94 175.69 1qjo s THR 36 N 0.43 4.96 0.29 8.37 2.01 0.87 -0.75 115.64 131.82 1qjo s THR 36 Ca -0.02 1.65 0.11 0.00 0.31 0.00 0.00 61.69 63.74 1qjo s THR 36 Cb -0.04 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1qjo s THR 36 CO -0.02 0.17 -0.17 0.68 -0.69 0.00 0.00 174.62 174.59 1qjo s VAL 37 N 1.22 2.53 0.00 3.82 -7.23 0.17 -0.31 120.40 120.60 1qjo s VAL 37 Ca 0.41 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1qjo s VAL 37 Cb -0.18 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1qjo s VAL 37 CO 0.19 -0.37 0.00 1.21 -0.31 0.00 0.00 175.10 175.82 1qjo n GLU 38 N -0.67 0.31 0.00 4.82 2.13 0.12 0.01 120.64 127.35 1qjo n GLU 38 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1qjo n GLU 38 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 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 0.47 0.31 0.00 8.31 0.00 -1.26 -1.12 105.19 111.90 1qjo n GLY 39 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1qjo n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qjo n ASP 40 N 0.00 0.00 -2.26 1.61 2.03 -1.26 -4.88 116.55 111.78 1qjo n ASP 40 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 1qjo n ASP 40 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qjo n LYS 41 N -0.08 3.31 -3.61 -0.67 -0.00 -1.26 -5.04 118.16 110.82 1qjo n LYS 41 Ca 0.00 -4.01 -0.06 0.00 -0.00 0.00 0.00 58.31 54.24 1qjo n LYS 41 Cb 0.00 -2.27 -0.05 0.00 -0.00 0.00 0.00 35.03 32.71 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qjo s ALA 42 N -3.68 -2.02 -0.19 0.58 0.00 -1.26 -5.15 121.76 110.03 1qjo s ALA 42 Ca 0.53 1.74 -0.06 0.00 0.00 0.00 0.00 51.96 54.17 1qjo s ALA 42 Cb 0.43 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1qjo s ALA 42 CO -0.06 -0.27 0.04 -1.54 0.00 0.00 0.00 175.76 173.92 1qjo s SER 43 N -1.00 5.23 0.36 0.00 1.04 -1.26 -4.13 113.70 113.95 1qjo s SER 43 Ca 0.03 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1qjo s SER 43 Cb -0.01 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 1qjo s SER 43 CO -0.03 0.11 0.10 -0.04 0.98 0.00 0.00 173.24 174.36 1qjo s MET 44 N 0.74 1.78 0.15 4.02 -1.94 0.10 -5.00 119.30 119.15 1qjo s MET 44 Ca 0.02 -2.04 0.09 0.00 -1.71 0.00 0.00 55.69 52.04 1qjo s MET 44 Cb -0.14 -0.67 -0.04 0.00 2.01 0.00 0.00 34.83 35.99 1qjo s MET 44 CO 0.02 -0.36 -0.19 -1.21 -0.01 0.00 0.00 175.02 173.27 1qjo s GLU 45 N -3.81 1.25 -0.30 2.03 2.02 -1.26 0.45 118.70 119.07 1qjo s GLU 45 Ca 0.30 -1.35 0.03 0.00 0.02 0.00 0.00 54.97 53.97 1qjo s GLU 45 Cb 0.05 -1.37 0.08 0.00 0.10 0.00 0.00 34.13 33.00 1qjo s GLU 45 CO 0.15 0.29 -0.01 0.08 0.02 0.00 0.00 175.26 175.78 1qjo s VAL 46 N -1.80 2.11 0.95 2.63 1.01 0.07 -4.83 120.40 120.54 1qjo s VAL 46 Ca 0.14 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.00 1qjo s VAL 46 Cb -0.07 -2.42 0.19 0.00 0.00 0.00 0.00 36.38 34.08 1qjo s VAL 46 CO 0.06 -0.36 1.31 -2.16 0.00 0.00 0.00 175.10 173.96 1qjo s PRO 47 N 1.05 0.72 -0.34 2.72 0.04 -1.26 0.60 135.00 138.52 1qjo s PRO 47 Ca 0.02 -0.40 -0.29 0.00 0.04 0.00 0.00 61.00 60.38 1qjo s PRO 47 Cb -0.19 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1qjo s PRO 47 CO -0.08 -2.36 1.56 0.00 0.04 0.00 0.00 177.00 176.16 1qjo s ALA 48 N -3.87 3.07 0.56 8.56 0.00 -1.05 -4.46 121.76 124.58 1qjo s ALA 48 Ca 0.73 0.12 0.36 0.00 0.00 0.00 0.00 51.96 53.18 1qjo s ALA 48 Cb -0.04 -3.93 1.48 0.00 0.00 0.00 0.00 23.12 20.63 1qjo s ALA 48 CO 0.53 -2.31 1.70 -1.00 0.00 0.00 0.00 175.76 174.68 1qjo h PRO 49 N 11.21 0.00 0.00 0.00 0.13 -1.91 -3.35 132.00 138.07 1qjo h PRO 49 Ca -0.30 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1qjo h PRO 49 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1qjo h PRO 49 CO 1.05 0.00 0.14 1.97 -0.23 0.00 0.00 178.00 180.92 1qjo n PHE 50 N -3.90 -1.26 -4.01 1.56 -1.74 -1.26 -4.93 117.46 101.91 1qjo n PHE 50 Ca 0.26 -0.59 -0.21 0.00 -0.56 0.00 0.00 57.45 56.35 1qjo n PHE 50 Cb 1.34 0.29 -0.03 0.00 1.52 0.00 0.00 39.48 42.59 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 -1.38 3.74 0.00 1.98 0.00 -1.26 -3.10 121.76 121.75 1qjo s ALA 51 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1qjo s ALA 51 Cb -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1qjo s ALA 51 CO 0.03 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1qjo n GLY 52 N -1.29 0.58 3.11 0.00 0.00 0.22 -4.63 105.19 103.17 1qjo n GLY 52 Ca -0.07 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 0.19 -0.43 1.61 1.01 0.16 -0.12 120.40 122.83 1qjo s VAL 53 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 61.98 60.09 1qjo s VAL 53 Cb 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1qjo s VAL 53 CO 0.00 -0.89 1.08 -0.69 0.00 0.00 0.00 175.10 174.61 1qjo s VAL 54 N -3.69 4.34 -0.08 2.92 1.01 -0.29 -1.93 120.40 122.68 1qjo s VAL 54 Ca 0.05 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 1qjo s VAL 54 Cb 0.06 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1qjo s VAL 54 CO -0.09 -0.82 -0.09 0.50 0.00 0.00 0.00 175.10 174.59 1qjo h LYS 55 N 8.87 0.00 -3.19 2.72 3.64 -1.57 0.16 116.57 127.20 1qjo h LYS 55 Ca -0.22 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.95 1qjo h LYS 55 Cb 1.06 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.59 1qjo h LYS 55 CO 1.08 0.00 -0.53 -2.00 -2.27 0.00 0.00 179.45 175.74 1qjo s GLU 56 N -1.67 0.17 0.20 1.90 2.12 -0.02 -4.68 118.70 116.73 1qjo s GLU 56 Ca -0.08 0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.67 1qjo s GLU 56 Cb 0.01 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.30 1qjo s GLU 56 CO 0.12 -0.11 -0.05 -0.48 -0.54 0.00 0.00 175.26 174.19 1qjo s LEU 57 N 0.80 2.36 -0.29 2.70 2.34 -1.26 -0.46 118.68 124.87 1qjo s LEU 57 Ca -0.06 -1.13 0.17 0.00 0.06 0.00 0.00 54.13 53.17 1qjo s LEU 57 Cb -0.07 -0.36 0.48 0.00 -0.56 0.00 0.00 46.19 45.69 1qjo s LEU 57 CO -0.04 -0.41 1.11 0.29 -1.06 0.00 0.00 176.35 176.23 1qjo n LYS 58 N -0.35 2.24 -4.23 1.48 4.76 -1.26 -5.02 118.16 115.78 1qjo n LYS 58 Ca -0.07 -3.71 -0.14 0.00 -2.87 0.00 0.00 58.31 51.53 1qjo n LYS 58 Cb 0.62 -1.77 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 1qjo n LYS 58 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1qjo s VAL 59 N -4.03 1.09 0.44 -0.18 0.11 -1.26 -5.10 120.40 111.48 1qjo s VAL 59 Ca 0.34 -2.01 0.03 0.00 -2.93 0.00 0.00 61.98 57.41 1qjo s VAL 59 Cb 0.37 -1.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1qjo s VAL 59 CO -0.02 -0.75 0.08 0.20 -3.33 0.00 0.00 175.10 171.28 1qjo s ASN 60 N -3.09 3.27 -0.45 3.54 -0.87 -1.26 -5.07 114.94 111.01 1qjo s ASN 60 Ca 0.15 -1.65 -0.19 0.00 -1.57 0.00 0.00 52.86 49.60 1qjo s ASN 60 Cb 0.02 0.47 0.03 0.00 -0.02 0.00 0.00 41.25 41.75 1qjo s ASN 60 CO -0.00 -0.88 0.57 -0.69 -2.57 0.00 0.00 177.10 173.53 1qjo s VAL 61 N -3.08 4.92 0.00 1.60 1.01 -1.26 -2.56 120.40 121.03 1qjo s VAL 61 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1qjo s VAL 61 Cb 0.03 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1qjo s VAL 61 CO 0.11 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.22 1qjo n GLY 62 N 5.10 0.70 3.94 4.51 0.00 0.76 -4.95 105.19 115.25 1qjo n GLY 62 Ca -0.05 0.00 -0.25 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 -0.90 6.35 0.01 1.61 1.01 -1.06 -4.77 116.67 118.93 1qjo s ASP 63 Ca 0.00 0.36 0.04 0.00 0.71 0.00 0.00 52.55 53.66 1qjo s ASP 63 Cb 0.00 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 1qjo s ASP 63 CO 0.00 -0.11 -0.08 -1.59 0.21 0.00 0.00 175.17 173.59 1qjo s LYS 64 N -3.69 2.48 0.25 8.23 0.00 -1.26 -0.38 119.74 125.37 1qjo s LYS 64 Ca 0.38 -0.76 0.02 0.00 0.00 0.00 0.00 55.97 55.60 1qjo s LYS 64 Cb -0.10 -2.45 -0.04 0.00 0.00 0.00 0.00 37.83 35.24 1qjo s LYS 64 CO 0.31 0.59 0.16 0.14 0.00 0.00 0.00 175.35 176.55 1qjo s VAL 65 N -0.99 0.14 -0.26 1.79 -7.23 0.10 -4.95 120.40 109.00 1qjo s VAL 65 Ca 0.17 -2.00 -0.35 0.00 -1.81 0.00 0.00 61.98 57.99 1qjo s VAL 65 Cb -0.11 -2.52 0.16 0.00 0.56 0.00 0.00 36.38 34.47 1qjo s VAL 65 CO 0.07 0.00 1.32 -1.59 -0.31 0.00 0.00 175.10 174.59 1qjo s LYS 66 N -3.94 0.12 -0.31 4.82 -2.85 -1.26 -2.00 119.74 114.31 1qjo s LYS 66 Ca 0.38 -0.02 -0.11 0.00 -1.00 0.00 0.00 55.97 55.22 1qjo s LYS 66 Cb 0.06 0.06 -0.07 0.00 -2.06 0.00 0.00 37.83 35.81 1qjo s LYS 66 CO 0.16 -0.05 0.88 0.25 0.10 0.00 0.00 175.35 176.70 1qjo n THR 67 N 0.16 0.00 0.00 3.79 -2.24 -1.25 -1.35 114.28 113.39 1qjo n THR 67 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1qjo n THR 67 Cb 0.58 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1qjo n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qjo n GLY 68 N 2.24 3.31 0.33 3.38 0.00 -0.29 -4.86 105.19 109.30 1qjo n GLY 68 Ca 0.22 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 0.02 0.10 -2.99 1.61 7.64 -0.46 -3.21 113.62 116.33 1qjo n SER 69 Ca 0.00 0.10 -0.03 0.00 1.01 0.00 0.00 58.87 59.95 1qjo n SER 69 Cb 0.00 -0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.46 0.59 -0.30 -3.43 4.77 -1.26 -2.09 117.00 115.74 1qjo n LEU 70 Ca 0.03 -1.20 -0.07 0.00 -0.03 0.00 0.00 56.01 54.75 1qjo n LEU 70 Cb -0.01 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 1qjo n LEU 70 CO 0.08 -0.99 0.36 -0.38 -1.33 0.00 0.00 177.39 175.14 1qjo n ILE 71 N 4.81 -0.47 -3.74 -0.08 2.08 -0.07 -4.89 119.36 116.99 1qjo n ILE 71 Ca 0.05 1.74 0.00 0.00 0.56 0.00 0.00 62.75 65.11 1qjo n ILE 71 Cb 0.02 -2.18 0.00 0.00 -0.75 0.00 0.00 39.64 36.73 1qjo n ILE 71 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 1qjo n MET 72 N -4.93 0.03 -4.98 0.38 0.00 -1.17 -4.12 117.12 102.32 1qjo n MET 72 Ca 0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 57.70 57.32 1qjo n MET 72 Cb 0.21 0.12 -0.15 0.00 0.00 0.00 0.00 33.22 33.39 1qjo n MET 72 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1qjo s ILE 73 N -2.26 2.61 0.29 3.17 -4.36 0.39 0.14 121.20 121.19 1qjo s ILE 73 Ca 0.02 -0.82 0.09 0.00 -0.26 0.00 0.00 60.65 59.68 1qjo s ILE 73 Cb -0.00 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.61 1qjo s ILE 73 CO 0.00 0.54 0.04 -0.36 0.24 0.00 0.00 174.94 175.40 1qjo s PHE 74 N 0.32 2.70 -0.02 1.37 0.08 0.36 -0.84 117.98 121.96 1qjo s PHE 74 Ca -0.14 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.66 1qjo s PHE 74 Cb -0.17 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1qjo s PHE 74 CO 0.07 0.54 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.66 1qjo s GLU 75 N -3.72 0.66 -1.23 0.44 2.12 -0.81 0.14 118.70 116.29 1qjo s GLU 75 Ca 0.33 -0.22 -0.18 0.00 0.36 0.00 0.00 54.97 55.26 1qjo s GLU 75 Cb -0.05 -0.65 -0.01 0.00 0.26 0.00 0.00 34.13 33.68 1qjo s GLU 75 CO 0.21 0.09 1.99 1.33 -0.54 0.00 0.00 175.26 178.34 1qjo n VAL 76 N 3.21 3.02 0.00 3.70 0.24 -1.26 -0.66 118.33 126.58 1qjo n VAL 76 Ca -0.17 -2.86 0.00 0.00 -2.04 0.00 0.00 64.34 59.27 1qjo n VAL 76 Cb 0.56 -2.41 0.00 0.00 -1.47 0.00 0.00 33.84 30.51 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 7.23 0.00 0.00 7.34 1.02 -1.26 -4.75 120.64 130.22 1qjo n GLU 77 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1qjo n GLU 77 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qjo n GLY 78 N 0.00 0.33 1.57 0.62 0.00 -1.26 -4.84 105.19 101.61 1qjo n GLY 78 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 4.10 0.00 4.61 0.00 -1.26 -5.25 120.51 122.71 1qjo n ALA 79 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1qjo n ALA 79 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50