#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 0.00 -4.65 2.03 0.31 -1.26 -4.90 118.33 109.85 1qjo n VAL 2 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1qjo n VAL 2 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.00 1.74 -0.08 5.55 -0.14 0.33 -4.99 119.74 122.16 1qjo s LYS 3 Ca 0.00 -1.16 -0.18 0.00 -1.36 0.00 0.00 55.97 53.27 1qjo s LYS 3 Cb 0.00 -2.01 -0.05 0.00 -1.68 0.00 0.00 37.83 34.09 1qjo s LYS 3 CO 0.00 0.50 0.50 -1.21 -0.76 0.00 0.00 175.35 174.38 1qjo s GLU 4 N -1.60 4.29 -0.36 1.68 8.01 -1.26 0.50 118.70 129.96 1qjo s GLU 4 Ca 0.14 0.52 -0.11 0.00 0.01 0.00 0.00 54.97 55.53 1qjo s GLU 4 Cb -0.10 -3.39 0.02 0.00 -4.31 0.00 0.00 34.13 26.34 1qjo s GLU 4 CO 0.05 0.26 0.19 0.08 0.01 0.00 0.00 175.26 175.85 1qjo s VAL 5 N 0.27 4.61 0.46 2.63 1.01 0.15 -4.87 120.40 124.66 1qjo s VAL 5 Ca 0.27 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1qjo s VAL 5 Cb -0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1qjo s VAL 5 CO 0.12 -0.15 0.36 0.54 0.00 0.00 0.00 175.10 175.97 1qjo s ASN 6 N 1.57 4.80 -0.30 3.32 4.22 -1.26 0.90 114.94 128.20 1qjo s ASN 6 Ca 0.03 -0.96 -0.11 0.00 -2.14 0.00 0.00 52.86 49.68 1qjo s ASN 6 Cb -0.19 -0.23 -0.03 0.00 1.28 0.00 0.00 41.25 42.08 1qjo s ASN 6 CO 0.07 -0.79 0.19 -0.69 -2.04 0.00 0.00 177.10 173.84 1qjo s VAL 7 N -2.59 5.08 0.75 3.54 1.01 -0.98 -4.75 120.40 122.46 1qjo s VAL 7 Ca 0.43 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 1qjo s VAL 7 Cb -0.02 -3.50 0.09 0.00 0.00 0.00 0.00 36.38 32.96 1qjo s VAL 7 CO 0.25 0.15 1.07 -2.16 0.00 0.00 0.00 175.10 174.41 1qjo s PRO 8 N 1.71 1.87 0.00 2.72 0.04 -1.26 0.24 135.00 140.31 1qjo s PRO 8 Ca 0.06 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.72 1qjo s PRO 8 Cb -0.17 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1qjo s PRO 8 CO 0.09 -1.47 0.00 -0.25 0.04 0.00 0.00 177.00 175.42 1qjo n ASP 9 N -3.06 0.00 -3.32 6.66 8.00 -1.26 -4.77 116.55 118.80 1qjo n ASP 9 Ca 0.10 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.26 1qjo n ASP 9 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1qjo n ASP 9 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1qjo n ILE 10 N 0.00 3.53 -1.40 0.53 -0.00 -1.26 -4.95 119.36 115.81 1qjo n ILE 10 Ca 0.00 -2.22 -0.46 0.00 -0.00 0.00 0.00 62.75 60.07 1qjo n ILE 10 Cb 0.00 -2.45 -0.02 0.00 -0.00 0.00 0.00 39.64 37.17 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 3.73 -1.77 0.00 3.28 0.00 -1.26 -3.52 105.19 105.66 1qjo n GLY 11 Ca 0.64 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 1.98 3.61 0.34 -0.02 0.00 -1.26 -5.05 105.19 104.78 1qjo n GLY 12 Ca 0.16 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.91 -4.00 1.61 9.92 -1.23 -4.92 116.55 116.02 1qjo n ASP 13 Ca 0.00 0.30 -0.30 0.00 -0.53 0.00 0.00 54.79 54.27 1qjo n ASP 13 Cb 0.00 -1.14 -0.05 0.00 -0.64 0.00 0.00 41.12 39.29 1qjo n ASP 13 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qjo n GLU 14 N -2.69 -0.77 -3.62 -1.24 -0.58 -1.26 -4.93 120.64 105.55 1qjo n GLU 14 Ca -0.02 0.04 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 1qjo n GLU 14 Cb 0.16 -2.60 -0.01 0.00 -0.57 0.00 0.00 31.44 28.42 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 -4.04 4.98 0.47 2.62 -7.23 -1.12 -4.87 120.40 111.21 1qjo s VAL 15 Ca 0.12 -0.76 0.04 0.00 -1.81 0.00 0.00 61.98 59.57 1qjo s VAL 15 Cb -0.07 -3.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 1qjo s VAL 15 CO 0.81 -0.40 0.07 -1.83 -0.31 0.00 0.00 175.10 173.45 1qjo s GLU 16 N -4.17 2.13 -0.20 4.82 1.03 -0.97 0.19 118.70 121.54 1qjo s GLU 16 Ca 0.38 -2.20 -0.13 0.00 0.03 0.00 0.00 54.97 53.06 1qjo s GLU 16 Cb -0.09 -1.69 -0.05 0.00 -0.80 0.00 0.00 34.13 31.51 1qjo s GLU 16 CO 0.32 -0.26 0.25 0.08 -1.33 0.00 0.00 175.26 174.33 1qjo s VAL 17 N -2.78 5.32 -0.27 1.83 1.01 -0.13 -0.51 120.40 124.87 1qjo s VAL 17 Ca 0.22 0.43 -0.15 0.00 0.00 0.00 0.00 61.98 62.48 1qjo s VAL 17 Cb 0.04 -3.59 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 1qjo s VAL 17 CO 0.12 0.36 -0.29 0.35 0.00 0.00 0.00 175.10 175.63 1qjo n THR 18 N 3.92 1.53 -3.76 3.92 -2.24 0.57 -0.28 114.28 117.93 1qjo n THR 18 Ca -0.13 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1qjo n THR 18 Cb 0.52 -1.92 -0.15 0.00 -2.10 0.00 0.00 70.33 66.68 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 -2.51 0.77 -1.06 -0.78 2.02 -1.17 -4.85 118.70 111.11 1qjo s GLU 19 Ca -0.37 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.36 1qjo s GLU 19 Cb 0.14 -2.08 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 1qjo s GLU 19 CO 0.50 -0.97 2.18 1.55 0.02 0.00 0.00 175.26 178.53 1qjo n VAL 20 N 4.81 2.66 -0.19 2.63 3.14 -1.26 -1.08 118.33 129.03 1qjo n VAL 20 Ca -0.02 -1.96 0.01 0.00 -2.96 0.00 0.00 64.34 59.41 1qjo n VAL 20 Cb 0.42 -2.36 0.04 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 5.53 -0.09 -3.31 1.45 2.81 -1.14 -4.62 117.12 117.76 1qjo n MET 21 Ca 0.52 0.80 -0.32 0.00 -1.81 0.00 0.00 57.70 56.90 1qjo n MET 21 Cb 0.30 -1.20 -0.06 0.00 -0.71 0.00 0.00 33.22 31.55 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 -5.56 4.84 0.18 2.03 -7.23 -0.99 -5.05 120.40 108.63 1qjo s VAL 22 Ca -0.07 0.63 0.05 0.00 -1.81 0.00 0.00 61.98 60.77 1qjo s VAL 22 Cb 0.12 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 1qjo s VAL 22 CO 0.38 -0.13 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.43 1qjo s LYS 23 N -2.91 1.19 -0.22 4.82 3.01 -1.26 -5.07 119.74 119.29 1qjo s LYS 23 Ca 0.50 -1.55 -0.34 0.00 -1.01 0.00 0.00 55.97 53.57 1qjo s LYS 23 Cb -0.11 -0.69 -0.11 0.00 -1.01 0.00 0.00 37.83 35.91 1qjo s LYS 23 CO 0.20 0.03 2.03 0.28 0.51 0.00 0.00 175.35 178.40 1qjo n VAL 24 N -0.30 0.38 0.00 3.17 0.31 -1.26 -1.76 118.33 118.87 1qjo n VAL 24 Ca -0.08 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1qjo n VAL 24 Cb 0.62 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 5.36 0.59 3.94 2.92 0.00 0.38 -5.01 105.19 113.39 1qjo n GLY 25 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1qjo n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qjo s ASP 26 N -1.06 5.22 -0.48 1.61 2.15 -0.72 -4.76 116.67 118.63 1qjo s ASP 26 Ca 0.00 0.33 -0.26 0.00 0.43 0.00 0.00 52.55 53.05 1qjo s ASP 26 Cb 0.00 -1.19 0.03 0.00 -0.30 0.00 0.00 42.92 41.46 1qjo s ASP 26 CO 0.00 -1.25 0.98 -1.59 -0.17 0.00 0.00 175.17 173.15 1qjo s LYS 27 N -4.96 3.54 -0.40 4.34 0.00 -1.26 -0.71 119.74 120.28 1qjo s LYS 27 Ca 0.57 0.18 -0.05 0.00 0.00 0.00 0.00 55.97 56.67 1qjo s LYS 27 Cb -0.10 -3.95 0.09 0.00 0.00 0.00 0.00 37.83 33.87 1qjo s LYS 27 CO 0.42 -1.32 0.20 0.08 0.00 0.00 0.00 175.35 174.73 1qjo s VAL 28 N 3.99 3.58 0.26 1.79 1.01 0.18 -4.98 120.40 126.24 1qjo s VAL 28 Ca 0.39 -1.76 0.12 0.00 0.00 0.00 0.00 61.98 60.73 1qjo s VAL 28 Cb -0.10 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1qjo s VAL 28 CO 0.26 -0.56 -0.20 0.00 0.00 0.00 0.00 175.10 174.60 1qjo s ALA 29 N 1.25 2.69 0.97 5.51 0.00 -1.26 0.40 121.76 131.32 1qjo s ALA 29 Ca 0.05 -1.83 -0.18 0.00 0.00 0.00 0.00 51.96 50.00 1qjo s ALA 29 Cb -0.23 -0.27 -0.15 0.00 0.00 0.00 0.00 23.12 22.48 1qjo s ALA 29 CO -0.02 0.30 -0.86 0.00 0.00 0.00 0.00 175.76 175.18 1qjo n ALA 30 N -0.46 -5.46 0.00 0.00 0.00 -1.24 -2.37 120.51 110.98 1qjo n ALA 30 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1qjo n ALA 30 Cb 0.59 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 2.44 0.00 -1.54 0.00 1.02 -1.26 -4.77 120.64 116.52 1qjo n GLU 31 Ca -0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 1qjo n GLU 31 Cb 0.56 -0.14 -0.10 0.00 -0.02 0.00 0.00 31.44 31.74 1qjo n GLU 31 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qjo n GLN 32 N 0.00 0.23 -0.44 3.49 -0.06 -1.00 -4.59 117.38 115.02 1qjo n GLN 32 Ca 0.00 -1.30 0.00 0.00 -2.00 0.00 0.00 57.00 53.70 1qjo n GLN 32 Cb 0.00 -3.64 0.00 0.00 -4.06 0.00 0.00 30.24 22.54 1qjo n GLN 32 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1qjo n SER 33 N 18.48 -0.45 -0.02 1.69 7.64 -1.26 -2.38 113.62 137.33 1qjo n SER 33 Ca 0.42 -0.23 -0.00 0.00 1.01 0.00 0.00 58.87 60.06 1qjo n SER 33 Cb 0.45 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qjo n LEU 34 N 1.56 -0.04 -3.72 -3.43 7.99 0.18 -4.60 117.00 114.94 1qjo n LEU 34 Ca 0.00 0.20 -0.12 0.00 -0.01 0.00 0.00 56.01 56.08 1qjo n LEU 34 Cb 0.11 -0.07 -0.07 0.00 -0.11 0.00 0.00 43.42 43.28 1qjo n LEU 34 CO 0.11 -0.12 0.08 0.27 -1.51 0.00 0.00 177.39 176.22 1qjo s ILE 35 N -3.53 0.07 -0.13 -0.08 -0.00 -1.10 -2.35 121.20 114.08 1qjo s ILE 35 Ca -0.01 -0.61 -0.09 0.00 -0.00 0.00 0.00 60.65 59.95 1qjo s ILE 35 Cb 0.00 -0.98 -0.04 0.00 -0.00 0.00 0.00 42.46 41.44 1qjo s ILE 35 CO 0.03 -0.34 0.17 -0.89 -0.00 0.00 0.00 174.94 173.91 1qjo s THR 36 N -2.68 5.43 0.09 8.37 2.01 -0.24 -1.64 115.64 126.98 1qjo s THR 36 Ca -0.04 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.32 1qjo s THR 36 Cb -0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1qjo s THR 36 CO -0.04 0.55 -0.21 0.68 -0.69 0.00 0.00 174.62 174.91 1qjo s VAL 37 N -0.56 1.71 0.46 3.82 -7.23 0.12 -0.32 120.40 118.41 1qjo s VAL 37 Ca 0.14 -1.46 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 1qjo s VAL 37 Cb -0.12 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1qjo s VAL 37 CO 0.03 0.01 0.04 -0.70 -0.31 0.00 0.00 175.10 174.17 1qjo s GLU 38 N -1.73 2.10 0.00 4.82 2.12 0.34 -0.35 118.70 126.01 1qjo s GLU 38 Ca 0.07 -2.22 0.00 0.00 0.36 0.00 0.00 54.97 53.18 1qjo s GLU 38 Cb -0.10 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.65 1qjo s GLU 38 CO 0.04 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1qjo n GLY 39 N -1.17 -2.07 3.12 -1.50 0.00 -1.26 -2.29 105.19 100.02 1qjo n GLY 39 Ca -0.11 0.71 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 1qjo n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 40 N -1.70 1.60 0.16 1.61 9.92 -1.26 -4.95 116.55 121.94 1qjo n ASP 40 Ca 0.00 -2.18 0.00 0.00 -0.53 0.00 0.00 54.79 52.08 1qjo n ASP 40 Cb 0.00 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1qjo n ASP 40 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1qjo n LYS 41 N -2.08 0.01 -4.06 -1.24 2.85 -1.26 -4.48 118.16 107.90 1qjo n LYS 41 Ca 0.13 0.47 -0.12 0.00 -1.05 0.00 0.00 58.31 57.73 1qjo n LYS 41 Cb 0.48 -2.23 -0.11 0.00 -0.65 0.00 0.00 35.03 32.51 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qjo s ALA 42 N -2.94 0.56 0.51 0.58 0.00 -1.26 -5.17 121.76 114.04 1qjo s ALA 42 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 1qjo s ALA 42 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1qjo s ALA 42 CO 0.00 -0.05 0.78 0.45 0.00 0.00 0.00 175.76 176.94 1qjo s SER 43 N -1.67 5.77 0.26 0.00 0.15 -1.26 -4.46 113.70 112.48 1qjo s SER 43 Ca -0.09 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.11 1qjo s SER 43 Cb -0.09 -1.67 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 1qjo s SER 43 CO -0.00 -0.85 0.05 -0.04 1.20 0.00 0.00 173.24 173.60 1qjo s MET 44 N -4.76 1.41 0.10 5.44 -1.94 0.53 -5.01 119.30 115.07 1qjo s MET 44 Ca 0.51 -1.75 0.06 0.00 -1.71 0.00 0.00 55.69 52.79 1qjo s MET 44 Cb -0.10 -0.48 -0.03 0.00 2.01 0.00 0.00 34.83 36.22 1qjo s MET 44 CO 0.42 -0.20 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.87 1qjo s GLU 45 N -3.95 0.94 -0.08 2.03 2.02 -1.26 0.11 118.70 118.51 1qjo s GLU 45 Ca 0.34 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 54.21 1qjo s GLU 45 Cb 0.07 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.44 1qjo s GLU 45 CO 0.12 0.18 -0.09 0.08 0.02 0.00 0.00 175.26 175.56 1qjo s VAL 46 N -1.78 1.01 0.66 2.63 1.01 -0.65 -4.92 120.40 118.36 1qjo s VAL 46 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1qjo s VAL 46 Cb -0.07 -0.98 0.08 0.00 0.00 0.00 0.00 36.38 35.41 1qjo s VAL 46 CO 0.03 0.34 0.92 -2.16 0.00 0.00 0.00 175.10 174.23 1qjo s PRO 47 N 1.12 2.08 -0.66 2.72 0.04 -1.26 0.51 135.00 139.55 1qjo s PRO 47 Ca -0.06 -0.82 -0.27 0.00 0.04 0.00 0.00 61.00 59.89 1qjo s PRO 47 Cb -0.14 -2.35 -0.12 0.00 0.04 0.00 0.00 34.50 31.92 1qjo s PRO 47 CO -0.02 -1.15 2.48 0.00 0.04 0.00 0.00 177.00 178.35 1qjo n ALA 48 N -2.68 0.63 -0.45 8.56 0.00 -1.00 -4.40 120.51 121.17 1qjo n ALA 48 Ca 0.11 -0.82 0.41 0.00 0.00 0.00 0.00 53.44 53.15 1qjo n ALA 48 Cb 0.60 -2.96 0.75 0.00 0.00 0.00 0.00 19.45 17.84 1qjo n ALA 48 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qjo h PRO 49 N 16.90 0.00 0.00 0.00 0.13 -1.92 -3.34 132.00 143.77 1qjo h PRO 49 Ca -0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 1qjo h PRO 49 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1qjo h PRO 49 CO 1.22 0.00 0.12 1.97 -0.23 0.00 0.00 178.00 181.08 1qjo n PHE 50 N -3.96 -1.66 -4.13 1.56 -1.74 -1.26 -4.96 117.46 101.31 1qjo n PHE 50 Ca 0.32 -1.03 -0.25 0.00 -0.56 0.00 0.00 57.45 55.93 1qjo n PHE 50 Cb 1.56 0.48 -0.06 0.00 1.52 0.00 0.00 39.48 42.98 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 -1.65 3.45 0.00 1.98 0.00 -1.26 -3.66 121.76 120.62 1qjo s ALA 51 Ca 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1qjo s ALA 51 Cb -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1qjo s ALA 51 CO 0.07 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1qjo n GLY 52 N -0.44 0.53 3.68 0.00 0.00 0.16 -4.53 105.19 104.58 1qjo n GLY 52 Ca -0.08 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 1qjo n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qjo s VAL 53 N -2.32 3.85 -0.44 1.61 -7.23 0.22 0.52 120.40 116.62 1qjo s VAL 53 Ca 0.00 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 1qjo s VAL 53 Cb 0.00 -2.93 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1qjo s VAL 53 CO 0.00 -0.08 1.45 -0.69 -0.31 0.00 0.00 175.10 175.47 1qjo s VAL 54 N -1.68 3.84 -0.24 1.32 1.01 0.11 -0.82 120.40 123.94 1qjo s VAL 54 Ca 0.28 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 1qjo s VAL 54 Cb -0.10 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 31.93 1qjo s VAL 54 CO 0.19 -0.81 -0.04 1.17 0.00 0.00 0.00 175.10 175.61 1qjo n LYS 55 N 8.24 0.57 -3.67 2.72 0.00 -0.81 -0.47 118.16 124.75 1qjo n LYS 55 Ca 0.16 0.44 -0.10 0.00 0.00 0.00 0.00 58.31 58.81 1qjo n LYS 55 Cb 0.48 -1.64 -0.04 0.00 0.00 0.00 0.00 35.03 33.84 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 -2.43 1.29 -0.06 1.64 2.12 -0.44 -4.78 118.70 116.04 1qjo s GLU 56 Ca -0.33 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 53.94 1qjo s GLU 56 Cb 0.10 0.52 0.11 0.00 0.26 0.00 0.00 34.13 35.12 1qjo s GLU 56 CO 0.54 -0.54 0.93 -0.48 -0.54 0.00 0.00 175.26 175.17 1qjo s LEU 57 N -2.84 -0.36 -0.40 2.70 2.34 -1.26 0.18 118.68 119.04 1qjo s LEU 57 Ca 0.06 0.14 0.11 0.00 0.06 0.00 0.00 54.13 54.51 1qjo s LEU 57 Cb -0.00 1.96 0.41 0.00 -0.56 0.00 0.00 46.19 48.00 1qjo s LEU 57 CO -0.06 -0.52 0.95 0.29 -1.06 0.00 0.00 176.35 175.95 1qjo n LYS 58 N 0.09 2.03 -4.07 1.48 5.02 -1.26 -5.00 118.16 116.45 1qjo n LYS 58 Ca -0.09 -3.84 -0.11 0.00 -2.02 0.00 0.00 58.31 52.25 1qjo n LYS 58 Cb 0.60 -1.75 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1qjo n LYS 58 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1qjo s VAL 59 N -3.84 0.43 0.50 -0.18 -7.23 -1.26 -5.10 120.40 103.71 1qjo s VAL 59 Ca 0.38 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1qjo s VAL 59 Cb 0.40 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 1qjo s VAL 59 CO -0.07 -0.59 0.02 0.20 -0.31 0.00 0.00 175.10 174.36 1qjo s ASN 60 N -2.02 3.91 -0.44 4.85 -0.87 -1.26 -5.07 114.94 114.04 1qjo s ASN 60 Ca -0.05 -1.67 -0.18 0.00 -1.57 0.00 0.00 52.86 49.39 1qjo s ASN 60 Cb -0.05 0.55 0.03 0.00 -0.02 0.00 0.00 41.25 41.76 1qjo s ASN 60 CO -0.02 -0.88 0.51 -0.69 -2.57 0.00 0.00 177.10 173.45 1qjo s VAL 61 N -2.94 5.00 0.00 1.60 1.01 -1.26 -2.88 120.40 120.94 1qjo s VAL 61 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1qjo s VAL 61 Cb 0.01 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1qjo s VAL 61 CO 0.05 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1qjo n GLY 62 N 5.11 1.26 3.55 4.51 0.00 0.61 -4.95 105.19 115.29 1qjo n GLY 62 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1qjo n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 63 N 0.00 -0.31 -4.89 1.61 9.92 -1.14 -4.25 116.55 117.49 1qjo n ASP 63 Ca 0.00 0.61 -0.32 0.00 -0.53 0.00 0.00 54.79 54.54 1qjo n ASP 63 Cb 0.00 -1.33 -0.05 0.00 -0.64 0.00 0.00 41.12 39.10 1qjo n ASP 63 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1qjo s LYS 64 N -3.20 3.63 -0.01 -1.24 -0.14 -1.26 -0.96 119.74 116.56 1qjo s LYS 64 Ca 0.69 -0.06 -0.07 0.00 -1.36 0.00 0.00 55.97 55.18 1qjo s LYS 64 Cb -0.33 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 1qjo s LYS 64 CO 0.55 0.52 0.13 0.14 -0.76 0.00 0.00 175.35 175.93 1qjo s VAL 65 N -1.55 0.07 0.05 3.17 -7.23 0.13 -4.96 120.40 110.08 1qjo s VAL 65 Ca 0.37 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.87 1qjo s VAL 65 Cb -0.13 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.44 1qjo s VAL 65 CO 0.22 -0.31 0.25 -0.75 -0.31 0.00 0.00 175.10 174.21 1qjo s LYS 66 N -1.09 0.78 -0.51 4.82 2.20 -1.26 -2.78 119.74 121.90 1qjo s LYS 66 Ca -0.12 -0.61 -0.15 0.00 -0.36 0.00 0.00 55.97 54.73 1qjo s LYS 66 Cb -0.06 0.33 -0.12 0.00 -1.51 0.00 0.00 37.83 36.47 1qjo s LYS 66 CO 0.01 -0.24 1.36 0.25 -0.36 0.00 0.00 175.35 176.37 1qjo n THR 67 N 0.51 0.00 0.00 3.43 -2.24 -1.26 -0.26 114.28 114.47 1qjo n THR 67 Ca -0.18 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1qjo n THR 67 Cb 0.60 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 3.29 1.42 3.28 3.38 0.00 0.14 -4.93 105.19 111.77 1qjo n GLY 68 Ca 0.34 -0.28 -0.58 0.00 0.00 0.00 0.00 46.02 45.50 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 0.04 0.77 -3.07 1.61 7.64 0.65 -4.04 113.62 117.22 1qjo n SER 69 Ca 0.00 1.05 -0.19 0.00 1.01 0.00 0.00 58.87 60.75 1qjo n SER 69 Cb 0.00 -0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 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 2.93 4.38 -0.00 -3.43 4.32 -1.26 -2.31 117.00 121.62 1qjo n LEU 70 Ca 0.25 -2.66 -0.00 0.00 -0.02 0.00 0.00 56.01 53.58 1qjo n LEU 70 Cb -0.02 -1.02 -0.00 0.00 -1.62 0.00 0.00 43.42 40.76 1qjo n LEU 70 CO 0.73 0.50 0.00 -0.38 -1.22 0.00 0.00 177.39 177.02 1qjo n ILE 71 N 4.10 -0.00 -3.89 -0.08 5.41 0.26 -4.70 119.36 120.47 1qjo n ILE 71 Ca 0.39 0.01 -0.10 0.00 1.00 0.00 0.00 62.75 64.05 1qjo n ILE 71 Cb 0.16 -0.01 -0.00 0.00 -0.71 0.00 0.00 39.64 39.07 1qjo n ILE 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qjo s MET 72 N -4.67 2.05 -0.27 0.38 0.23 -1.17 -4.50 119.30 111.36 1qjo s MET 72 Ca -0.00 -1.43 -0.03 0.00 -1.03 0.00 0.00 55.69 53.21 1qjo s MET 72 Cb 0.00 0.57 0.03 0.00 -1.53 0.00 0.00 34.83 33.90 1qjo s MET 72 CO 0.00 -0.93 -0.03 0.42 -2.03 0.00 0.00 175.02 172.46 1qjo s ILE 73 N -2.83 3.08 0.17 3.16 1.01 0.13 0.34 121.20 126.25 1qjo s ILE 73 Ca 0.18 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1qjo s ILE 73 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1qjo s ILE 73 CO 0.12 0.12 0.10 -0.36 0.00 0.00 0.00 174.94 174.92 1qjo s PHE 74 N 1.34 3.07 -0.11 3.97 0.08 0.18 -1.33 117.98 125.18 1qjo s PHE 74 Ca -0.01 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1qjo s PHE 74 Cb -0.17 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 1qjo s PHE 74 CO -0.03 0.52 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.49 1qjo s GLU 75 N -3.07 1.93 0.00 0.44 2.56 0.00 0.12 118.70 120.69 1qjo s GLU 75 Ca 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 54.97 54.83 1qjo s GLU 75 Cb -0.10 -1.76 0.00 0.00 2.00 0.00 0.00 34.13 34.27 1qjo s GLU 75 CO 0.22 -0.15 0.00 1.33 -0.56 0.00 0.00 175.26 176.10 1qjo n VAL 76 N 4.49 0.00 -2.18 3.70 0.24 -1.26 -0.61 118.33 122.71 1qjo n VAL 76 Ca -0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.72 1qjo n VAL 76 Cb 0.51 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 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 1.10 4.30 0.00 7.34 1.02 -1.26 -4.29 120.64 128.86 1qjo n GLU 77 Ca 0.00 -3.58 0.00 0.00 -0.02 0.00 0.00 57.16 53.56 1qjo n GLU 77 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 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 1.99 -1.84 3.75 0.62 0.00 -1.26 -4.65 105.19 103.79 1qjo n GLY 78 Ca 0.52 0.80 -0.40 0.00 0.00 0.00 0.00 46.02 46.94 1qjo n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjo s ALA 79 N 0.00 3.32 -2.00 4.61 0.00 -1.26 -4.29 121.76 122.14 1qjo s ALA 79 Ca 0.00 0.59 0.10 0.00 0.00 0.00 0.00 51.96 52.65 1qjo s ALA 79 Cb 0.00 -3.21 0.61 0.00 0.00 0.00 0.00 23.12 20.52 1qjo s ALA 79 CO 0.00 0.14 1.05 0.00 0.00 0.00 0.00 175.76 176.96