#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 0.66 -3.98 2.03 0.24 -1.26 -4.31 118.33 111.70 1qjo n VAL 2 Ca 0.00 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1qjo n VAL 2 Cb 0.00 -0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 31.39 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1qjo s LYS 3 N -3.94 0.32 0.22 7.34 -0.14 0.18 -4.92 119.74 118.79 1qjo s LYS 3 Ca 0.64 -0.61 -0.01 0.00 -1.36 0.00 0.00 55.97 54.63 1qjo s LYS 3 Cb -0.25 0.09 -0.04 0.00 -1.68 0.00 0.00 37.83 35.95 1qjo s LYS 3 CO 0.60 -0.05 0.42 -1.21 -0.76 0.00 0.00 175.35 174.35 1qjo s GLU 4 N -1.46 3.53 -0.22 1.68 2.02 -1.26 0.47 118.70 123.46 1qjo s GLU 4 Ca -0.16 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1qjo s GLU 4 Cb -0.10 -2.81 0.02 0.00 0.10 0.00 0.00 34.13 31.34 1qjo s GLU 4 CO -0.01 0.37 -0.11 0.08 0.02 0.00 0.00 175.26 175.61 1qjo s VAL 5 N -1.92 2.65 0.41 2.63 1.01 0.26 -4.78 120.40 120.66 1qjo s VAL 5 Ca 0.39 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1qjo s VAL 5 Cb -0.11 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1qjo s VAL 5 CO 0.29 0.33 0.32 0.54 0.00 0.00 0.00 175.10 176.59 1qjo s ASN 6 N 1.33 4.92 -0.35 3.32 4.22 -1.26 0.29 114.94 127.41 1qjo s ASN 6 Ca 0.02 -0.80 -0.17 0.00 -2.14 0.00 0.00 52.86 49.77 1qjo s ASN 6 Cb -0.15 -0.59 -0.01 0.00 1.28 0.00 0.00 41.25 41.78 1qjo s ASN 6 CO -0.07 -0.59 0.46 -0.69 -2.04 0.00 0.00 177.10 174.17 1qjo s VAL 7 N -2.49 5.07 0.00 3.54 1.01 -0.99 -4.68 120.40 121.87 1qjo s VAL 7 Ca 0.46 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1qjo s VAL 7 Cb -0.02 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1qjo s VAL 7 CO 0.26 -0.17 0.00 -0.81 0.00 0.00 0.00 175.10 174.38 1qjo n PRO 8 N 5.61 0.00 -4.02 2.72 -0.04 -1.26 -0.22 135.00 137.80 1qjo n PRO 8 Ca -0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 1qjo n PRO 8 Cb 0.49 -0.31 -0.16 0.00 -0.04 0.00 0.00 33.50 33.48 1qjo n PRO 8 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1qjo s ASP 9 N -1.67 3.20 -0.33 3.54 -4.77 -1.26 -4.44 116.67 110.94 1qjo s ASP 9 Ca 0.00 -0.77 0.09 0.00 -3.30 0.00 0.00 52.55 48.57 1qjo s ASP 9 Cb 0.00 -1.25 0.45 0.00 -1.09 0.00 0.00 42.92 41.03 1qjo s ASP 9 CO 0.00 -0.11 1.15 2.30 0.70 0.00 0.00 175.17 179.21 1qjo n ILE 10 N 4.70 2.28 0.00 2.11 -0.00 -1.26 -4.96 119.36 122.22 1qjo n ILE 10 Ca -0.16 -4.24 0.00 0.00 -0.00 0.00 0.00 62.75 58.36 1qjo n ILE 10 Cb 0.48 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 39.28 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 -0.60 0.08 0.00 3.28 0.00 -1.26 -4.77 105.19 101.92 1qjo n GLY 11 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 5.13 0.00 -0.02 0.00 -1.26 -5.14 105.19 103.90 1qjo n GLY 12 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.82 0.00 -4.18 1.61 9.92 -1.26 -4.80 116.55 117.02 1qjo n ASP 13 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 1qjo n ASP 13 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1qjo s GLU 14 N 0.00 1.47 0.09 -1.24 2.02 -1.26 -4.73 118.70 115.06 1qjo s GLU 14 Ca 0.00 -0.68 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 1qjo s GLU 14 Cb 0.00 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 1qjo s GLU 14 CO 0.00 0.39 0.00 0.14 0.02 0.00 0.00 175.26 175.81 1qjo s VAL 15 N -0.46 0.26 0.41 2.63 -7.23 -0.94 -4.81 120.40 110.27 1qjo s VAL 15 Ca 0.07 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1qjo s VAL 15 Cb -0.07 -1.78 -0.08 0.00 0.56 0.00 0.00 36.38 35.01 1qjo s VAL 15 CO -0.01 -0.75 0.01 -1.83 -0.31 0.00 0.00 175.10 172.22 1qjo s GLU 16 N -3.96 1.95 -0.27 4.82 -1.05 0.04 -0.83 118.70 119.40 1qjo s GLU 16 Ca 0.15 -2.11 -0.13 0.00 -0.15 0.00 0.00 54.97 52.73 1qjo s GLU 16 Cb 0.07 -1.58 -0.04 0.00 -0.44 0.00 0.00 34.13 32.14 1qjo s GLU 16 CO -0.04 -0.07 0.29 0.08 0.95 0.00 0.00 175.26 176.47 1qjo s VAL 17 N -2.76 5.24 -0.24 1.83 1.01 0.10 -0.45 120.40 125.14 1qjo s VAL 17 Ca 0.34 0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1qjo s VAL 17 Cb 0.10 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.69 1qjo s VAL 17 CO 0.17 0.21 -0.10 1.07 0.00 0.00 0.00 175.10 176.45 1qjo n THR 18 N 4.98 1.56 -3.73 3.92 5.66 0.18 0.75 114.28 127.59 1qjo n THR 18 Ca -0.11 -0.39 -0.30 0.00 -3.05 0.00 0.00 64.05 60.20 1qjo n THR 18 Cb 0.51 -1.78 -0.15 0.00 -1.55 0.00 0.00 70.33 67.36 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 -2.49 0.79 -1.45 1.09 2.02 -0.94 -4.85 118.70 112.87 1qjo s GLU 19 Ca -0.34 -1.21 -0.13 0.00 0.02 0.00 0.00 54.97 53.32 1qjo s GLU 19 Cb 0.10 -2.03 0.05 0.00 0.10 0.00 0.00 34.13 32.35 1qjo s GLU 19 CO 0.58 -1.01 2.26 1.55 0.02 0.00 0.00 175.26 178.65 1qjo n VAL 20 N 4.66 3.71 -0.25 2.63 3.14 -1.26 -0.93 118.33 130.03 1qjo n VAL 20 Ca -0.00 -3.20 -0.03 0.00 -2.96 0.00 0.00 64.34 58.15 1qjo n VAL 20 Cb 0.41 -2.56 -0.00 0.00 -1.06 0.00 0.00 33.84 30.62 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 5.41 -0.19 -2.51 1.45 0.00 -1.13 -4.63 117.12 115.51 1qjo n MET 21 Ca 0.53 0.96 -0.26 0.00 0.00 0.00 0.00 57.70 58.93 1qjo n MET 21 Cb 0.37 -1.41 0.03 0.00 0.00 0.00 0.00 33.22 32.20 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 -5.50 3.71 0.00 2.03 -7.23 -1.20 -5.09 120.40 107.13 1qjo s VAL 22 Ca -0.08 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1qjo s VAL 22 Cb 0.11 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1qjo s VAL 22 CO 0.43 -0.44 0.00 0.29 -0.31 0.00 0.00 175.10 175.07 1qjo n LYS 23 N -2.48 1.12 -2.29 4.82 4.76 -1.26 -5.06 118.16 117.77 1qjo n LYS 23 Ca 0.04 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.14 1qjo n LYS 23 Cb 0.58 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.73 1qjo n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qjo s VAL 24 N -1.08 3.72 0.00 -0.18 1.01 -1.26 -3.05 120.40 119.56 1qjo s VAL 24 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1qjo s VAL 24 Cb 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.76 1qjo s VAL 24 CO 0.00 -1.42 0.00 0.61 0.00 0.00 0.00 175.10 174.29 1qjo n GLY 25 N 6.42 1.26 3.44 4.51 0.00 -0.41 -4.95 105.19 115.46 1qjo n GLY 25 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 1qjo n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 26 N 0.00 -1.64 -4.34 1.61 9.92 -1.17 -4.48 116.55 116.45 1qjo n ASP 26 Ca 0.00 0.15 -0.45 0.00 -0.53 0.00 0.00 54.79 53.96 1qjo n ASP 26 Cb 0.00 -1.20 -0.06 0.00 -0.64 0.00 0.00 41.12 39.22 1qjo n ASP 26 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1qjo s LYS 27 N -3.90 2.97 0.09 -1.24 -0.14 -1.26 -1.36 119.74 114.90 1qjo s LYS 27 Ca 0.60 -1.55 0.07 0.00 -1.36 0.00 0.00 55.97 53.73 1qjo s LYS 27 Cb -0.20 -4.22 -0.04 0.00 -1.68 0.00 0.00 37.83 31.70 1qjo s LYS 27 CO 0.65 -1.19 -0.12 0.08 -0.76 0.00 0.00 175.35 174.00 1qjo s VAL 28 N 1.61 3.22 0.03 3.17 1.01 0.90 -4.99 120.40 125.35 1qjo s VAL 28 Ca 0.03 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 1qjo s VAL 28 Cb -0.27 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1qjo s VAL 28 CO 0.04 0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.31 1qjo s ALA 29 N -1.14 0.20 1.02 5.51 0.00 -1.26 0.09 121.76 126.18 1qjo s ALA 29 Ca 0.19 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 1qjo s ALA 29 Cb -0.11 0.22 0.12 0.00 0.00 0.00 0.00 23.12 23.34 1qjo s ALA 29 CO 0.11 -0.27 0.55 0.00 0.00 0.00 0.00 175.76 176.15 1qjo n ALA 30 N 0.87 -2.69 0.00 0.00 0.00 -1.22 -2.32 120.51 115.14 1qjo n ALA 30 Ca -0.19 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1qjo n ALA 30 Cb 0.58 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.82 0.00 -2.95 0.00 1.02 -1.26 -4.83 120.64 109.80 1qjo n GLU 31 Ca 0.06 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.77 1qjo n GLU 31 Cb 0.55 -3.61 -0.05 0.00 -0.02 0.00 0.00 31.44 28.31 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1qjo s GLN 32 N 0.00 3.30 0.14 3.49 -0.44 -0.98 -4.85 119.66 120.32 1qjo s GLN 32 Ca 0.00 -0.36 -0.25 0.00 -2.50 0.00 0.00 55.36 52.25 1qjo s GLN 32 Cb 0.00 -4.03 -0.14 0.00 -1.64 0.00 0.00 33.01 27.20 1qjo s GLN 32 CO 0.00 -1.31 0.50 0.45 0.50 0.00 0.00 175.29 175.43 1qjo n SER 33 N 6.94 -0.87 -0.08 6.67 2.88 -1.26 -2.99 113.62 124.91 1qjo n SER 33 Ca -0.00 0.94 -0.09 0.00 -1.33 0.00 0.00 58.87 58.39 1qjo n SER 33 Cb 0.47 -0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 1qjo n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qjo n LEU 34 N 1.59 1.85 -3.78 2.46 4.77 0.11 -4.75 117.00 119.25 1qjo n LEU 34 Ca 0.15 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 1qjo n LEU 34 Cb 0.19 -0.70 -0.16 0.00 -2.33 0.00 0.00 43.42 40.42 1qjo n LEU 34 CO 0.47 -0.27 -0.34 0.27 -1.33 0.00 0.00 177.39 176.18 1qjo s ILE 35 N -2.79 -0.05 -0.18 -0.08 -4.36 -0.83 -2.83 121.20 110.08 1qjo s ILE 35 Ca -0.26 0.20 -0.26 0.00 -0.26 0.00 0.00 60.65 60.06 1qjo s ILE 35 Cb 0.04 -0.09 -0.01 0.00 1.25 0.00 0.00 42.46 43.65 1qjo s ILE 35 CO 0.39 0.08 0.87 -0.89 0.24 0.00 0.00 174.94 175.63 1qjo s THR 36 N 0.99 4.85 -0.02 8.37 2.01 -0.11 -1.14 115.64 130.59 1qjo s THR 36 Ca -0.08 1.71 0.05 0.00 0.31 0.00 0.00 61.69 63.68 1qjo s THR 36 Cb -0.12 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 1qjo s THR 36 CO -0.03 -0.01 -0.17 0.68 -0.69 0.00 0.00 174.62 174.40 1qjo s VAL 37 N 2.32 2.82 0.08 3.82 -7.23 0.17 -0.65 120.40 121.74 1qjo s VAL 37 Ca 0.39 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1qjo s VAL 37 Cb -0.16 -2.11 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 1qjo s VAL 37 CO 0.12 0.51 0.01 1.21 -0.31 0.00 0.00 175.10 176.63 1qjo n GLU 38 N 2.09 1.57 0.00 4.82 2.13 0.40 -0.40 120.64 131.25 1qjo n GLU 38 Ca -0.17 -0.61 0.00 0.00 0.66 0.00 0.00 57.16 57.05 1qjo n GLU 38 Cb 0.52 0.20 0.00 0.00 0.27 0.00 0.00 31.44 32.43 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 3.45 2.42 0.00 8.31 0.00 -1.26 -0.78 105.19 117.33 1qjo n GLY 39 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.00 1.61 5.75 -1.26 -5.00 116.55 117.65 1qjo n ASP 40 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.79 1qjo n ASP 40 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1qjo n LYS 41 N 0.00 5.23 -4.11 0.11 4.76 -1.26 -5.06 118.16 117.83 1qjo n LYS 41 Ca 0.00 -0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1qjo n LYS 41 Cb 0.00 -0.68 -0.07 0.00 -1.84 0.00 0.00 35.03 32.44 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 -1.37 3.55 -0.16 7.82 0.00 -1.26 -5.14 121.76 125.19 1qjo s ALA 42 Ca 0.01 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1qjo s ALA 42 Cb 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1qjo s ALA 42 CO 0.10 -0.09 -0.15 -1.54 0.00 0.00 0.00 175.76 174.07 1qjo s SER 43 N -3.88 3.62 0.32 0.00 1.04 -1.26 -4.36 113.70 109.17 1qjo s SER 43 Ca 0.40 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 56.43 1qjo s SER 43 Cb 0.01 -1.56 -0.06 0.00 0.10 0.00 0.00 66.02 64.51 1qjo s SER 43 CO 0.23 0.07 -0.08 -0.04 0.98 0.00 0.00 173.24 174.39 1qjo s MET 44 N 0.89 1.73 0.11 4.02 -1.94 0.46 -5.01 119.30 119.56 1qjo s MET 44 Ca -0.04 -1.88 0.06 0.00 -1.71 0.00 0.00 55.69 52.11 1qjo s MET 44 Cb -0.15 -1.52 -0.04 0.00 2.01 0.00 0.00 34.83 35.14 1qjo s MET 44 CO -0.01 0.11 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.75 1qjo s GLU 45 N -3.65 0.97 -0.21 2.03 2.02 -1.26 0.46 118.70 119.06 1qjo s GLU 45 Ca 0.31 -1.17 0.01 0.00 0.02 0.00 0.00 54.97 54.15 1qjo s GLU 45 Cb 0.03 -0.87 0.05 0.00 0.10 0.00 0.00 34.13 33.43 1qjo s GLU 45 CO 0.15 0.17 -0.09 0.08 0.02 0.00 0.00 175.26 175.60 1qjo s VAL 46 N -1.94 1.61 0.86 2.63 1.01 -0.29 -4.89 120.40 119.39 1qjo s VAL 46 Ca 0.06 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1qjo s VAL 46 Cb -0.06 -1.75 0.17 0.00 0.00 0.00 0.00 36.38 34.74 1qjo s VAL 46 CO 0.03 0.07 1.19 -2.16 0.00 0.00 0.00 175.10 174.23 1qjo s PRO 47 N 1.39 1.10 -0.22 2.72 0.04 -1.26 0.08 135.00 138.85 1qjo s PRO 47 Ca -0.03 -0.66 -0.29 0.00 0.04 0.00 0.00 61.00 60.06 1qjo s PRO 47 Cb -0.17 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1qjo s PRO 47 CO -0.07 -2.01 1.64 0.00 0.04 0.00 0.00 177.00 176.60 1qjo s ALA 48 N -3.59 3.25 0.57 8.56 0.00 -1.16 -4.57 121.76 124.83 1qjo s ALA 48 Ca 0.70 0.48 0.34 0.00 0.00 0.00 0.00 51.96 53.49 1qjo s ALA 48 Cb -0.05 -3.86 1.41 0.00 0.00 0.00 0.00 23.12 20.63 1qjo s ALA 48 CO 0.49 -1.98 1.70 -1.00 0.00 0.00 0.00 175.76 174.97 1qjo h PRO 49 N 10.87 0.00 0.00 0.00 0.13 -1.92 -3.36 132.00 137.73 1qjo h PRO 49 Ca -0.34 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.86 1qjo h PRO 49 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1qjo h PRO 49 CO 1.00 0.00 0.29 1.97 -0.23 0.00 0.00 178.00 181.03 1qjo n PHE 50 N -3.81 -1.12 -3.34 1.56 1.16 -1.26 -4.95 117.46 105.70 1qjo n PHE 50 Ca 0.22 -0.73 -0.21 0.00 -1.87 0.00 0.00 57.45 54.86 1qjo n PHE 50 Cb 1.22 0.36 -0.00 0.00 -1.61 0.00 0.00 39.48 39.45 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 -1.56 4.00 0.00 1.98 0.00 -1.26 -3.42 121.76 121.50 1qjo s ALA 51 Ca 0.12 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1qjo s ALA 51 Cb -0.02 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1qjo s ALA 51 CO 0.04 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1qjo n GLY 52 N -1.78 0.33 3.53 0.00 0.00 0.11 -4.58 105.19 102.80 1qjo n GLY 52 Ca -0.01 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.77 1.97 -0.05 1.61 -7.23 -0.94 -0.07 120.40 113.92 1qjo s VAL 53 Ca 0.00 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 57.97 1qjo s VAL 53 Cb 0.00 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1qjo s VAL 53 CO 0.00 -0.16 0.22 -0.69 -0.31 0.00 0.00 175.10 174.16 1qjo s VAL 54 N -2.78 5.37 0.03 1.32 1.01 -0.46 -1.68 120.40 123.20 1qjo s VAL 54 Ca 0.33 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1qjo s VAL 54 Cb 0.05 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1qjo s VAL 54 CO 0.16 0.50 -0.04 1.17 0.00 0.00 0.00 175.10 176.89 1qjo n LYS 55 N 1.58 0.07 -4.15 2.72 4.81 0.61 -1.29 118.16 122.51 1qjo n LYS 55 Ca -0.15 0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.20 1qjo n LYS 55 Cb 0.54 -0.46 -0.10 0.00 0.02 0.00 0.00 35.03 35.02 1qjo n LYS 55 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1qjo s GLU 56 N -1.72 0.79 -0.26 1.64 2.56 -0.91 -4.50 118.70 116.30 1qjo s GLU 56 Ca -0.04 -1.25 -0.06 0.00 0.00 0.00 0.00 54.97 53.63 1qjo s GLU 56 Cb 0.00 -0.22 0.13 0.00 2.00 0.00 0.00 34.13 36.05 1qjo s GLU 56 CO 0.05 -0.01 0.52 -0.48 -0.56 0.00 0.00 175.26 174.78 1qjo s LEU 57 N -2.82 -0.95 -0.67 2.70 2.34 -1.26 -0.26 118.68 117.75 1qjo s LEU 57 Ca 0.09 0.98 -0.04 0.00 0.06 0.00 0.00 54.13 55.22 1qjo s LEU 57 Cb 0.03 1.76 0.08 0.00 -0.56 0.00 0.00 46.19 47.50 1qjo s LEU 57 CO -0.04 -0.25 2.67 0.29 -1.06 0.00 0.00 176.35 177.96 1qjo n LYS 58 N 5.41 2.97 -4.04 1.48 5.02 -1.26 -4.89 118.16 122.85 1qjo n LYS 58 Ca -0.07 -2.64 -0.12 0.00 -2.02 0.00 0.00 58.31 53.46 1qjo n LYS 58 Cb 0.50 -2.27 -0.12 0.00 -0.02 0.00 0.00 35.03 33.13 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 -2.00 0.40 0.41 -0.18 0.11 -1.26 -5.08 120.40 112.80 1qjo s VAL 59 Ca 0.58 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.73 1qjo s VAL 59 Cb 0.33 -0.48 -0.06 0.00 -1.53 0.00 0.00 36.38 34.64 1qjo s VAL 59 CO -0.19 -0.37 0.03 0.20 -3.33 0.00 0.00 175.10 171.44 1qjo s ASN 60 N -1.41 3.48 -0.40 3.54 -0.87 -1.26 -5.06 114.94 112.95 1qjo s ASN 60 Ca -0.11 -1.44 -0.18 0.00 -1.57 0.00 0.00 52.86 49.56 1qjo s ASN 60 Cb -0.09 -0.10 0.01 0.00 -0.02 0.00 0.00 41.25 41.05 1qjo s ASN 60 CO -0.00 -0.59 0.49 -0.69 -2.57 0.00 0.00 177.10 173.74 1qjo s VAL 61 N -2.92 5.02 0.00 1.60 1.01 -1.26 -2.37 120.40 121.48 1qjo s VAL 61 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1qjo s VAL 61 Cb 0.08 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1qjo s VAL 61 CO 0.15 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1qjo n GLY 62 N 5.02 1.36 4.01 4.51 0.00 0.23 -4.96 105.19 115.36 1qjo n GLY 62 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1qjo n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qjo s ASP 63 N -1.80 4.66 -0.00 1.61 2.15 -1.00 -4.74 116.67 117.55 1qjo s ASP 63 Ca 0.00 -0.51 0.02 0.00 0.43 0.00 0.00 52.55 52.49 1qjo s ASP 63 Cb 0.00 0.04 -0.04 0.00 -0.30 0.00 0.00 42.92 42.62 1qjo s ASP 63 CO 0.00 -1.63 -0.02 -0.54 -0.17 0.00 0.00 175.17 172.81 1qjo s LYS 64 N -4.95 2.72 0.01 4.34 -0.14 -1.26 -0.72 119.74 119.74 1qjo s LYS 64 Ca 0.64 -0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 54.58 1qjo s LYS 64 Cb -0.06 -2.62 -0.01 0.00 -1.68 0.00 0.00 37.83 33.46 1qjo s LYS 64 CO 0.42 0.62 0.05 0.14 -0.76 0.00 0.00 175.35 175.82 1qjo s VAL 65 N -1.05 0.10 0.15 3.17 -7.23 -0.01 -4.95 120.40 110.57 1qjo s VAL 65 Ca 0.19 -0.82 -0.24 0.00 -1.81 0.00 0.00 61.98 59.29 1qjo s VAL 65 Cb -0.11 -0.37 0.07 0.00 0.56 0.00 0.00 36.38 36.52 1qjo s VAL 65 CO 0.09 -0.45 0.70 -1.59 -0.31 0.00 0.00 175.10 173.54 1qjo s LYS 66 N -1.48 1.29 -0.47 4.82 0.00 -1.26 -2.21 119.74 120.42 1qjo s LYS 66 Ca -0.15 -0.55 -0.44 0.00 0.00 0.00 0.00 55.97 54.83 1qjo s LYS 66 Cb -0.09 0.54 -0.18 0.00 0.00 0.00 0.00 37.83 38.10 1qjo s LYS 66 CO 0.00 -0.57 1.95 0.25 0.00 0.00 0.00 175.35 176.98 1qjo n THR 67 N -0.38 0.04 0.00 3.79 -2.24 -1.26 -1.31 114.28 112.92 1qjo n THR 67 Ca -0.12 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1qjo n THR 67 Cb 0.63 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 6.12 2.79 3.18 3.38 0.00 0.70 -4.93 105.19 116.43 1qjo n GLY 68 Ca 0.45 -0.56 -0.51 0.00 0.00 0.00 0.00 46.02 45.40 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 0.44 -0.34 -2.88 1.61 2.88 -0.43 -4.12 113.62 110.78 1qjo n SER 69 Ca 0.00 1.05 -0.16 0.00 -1.33 0.00 0.00 58.87 58.43 1qjo n SER 69 Cb 0.00 -0.85 -0.04 0.00 -0.75 0.00 0.00 64.21 62.57 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 1.51 4.08 -0.04 2.46 4.77 -1.26 -2.34 117.00 126.18 1qjo n LEU 70 Ca 0.18 -2.52 -0.01 0.00 -0.03 0.00 0.00 56.01 53.63 1qjo n LEU 70 Cb 0.12 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.23 1qjo n LEU 70 CO 0.55 0.56 0.08 -0.38 -1.33 0.00 0.00 177.39 176.86 1qjo n ILE 71 N 3.79 -0.06 -3.86 -0.08 5.41 0.14 -4.75 119.36 119.95 1qjo n ILE 71 Ca 0.36 0.32 -0.08 0.00 1.00 0.00 0.00 62.75 64.35 1qjo n ILE 71 Cb 0.23 -0.41 -0.01 0.00 -0.71 0.00 0.00 39.64 38.74 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 -4.25 1.87 -0.22 0.38 0.23 -1.16 -4.20 119.30 111.94 1qjo s MET 72 Ca -0.01 -1.11 -0.04 0.00 -1.03 0.00 0.00 55.69 53.49 1qjo s MET 72 Cb 0.01 0.60 -0.01 0.00 -1.53 0.00 0.00 34.83 33.90 1qjo s MET 72 CO 0.06 -0.85 -0.02 0.96 -2.03 0.00 0.00 175.02 173.13 1qjo s ILE 73 N -3.58 3.56 0.55 3.16 -4.36 0.64 0.90 121.20 122.06 1qjo s ILE 73 Ca 0.13 -0.43 0.08 0.00 -0.26 0.00 0.00 60.65 60.17 1qjo s ILE 73 Cb -0.05 -2.63 0.07 0.00 1.25 0.00 0.00 42.46 41.10 1qjo s ILE 73 CO 0.08 0.41 0.75 -0.36 0.24 0.00 0.00 174.94 176.07 1qjo s PHE 74 N 1.45 1.83 -0.26 1.37 0.40 0.18 -0.28 117.98 122.66 1qjo s PHE 74 Ca 0.05 -0.58 -0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1qjo s PHE 74 Cb -0.14 -2.34 0.13 0.00 0.51 0.00 0.00 43.02 41.18 1qjo s PHE 74 CO -0.02 -1.01 0.53 -2.00 0.70 0.00 0.00 175.22 173.43 1qjo s GLU 75 N -4.63 0.47 -0.41 0.44 2.12 -0.68 0.47 118.70 116.48 1qjo s GLU 75 Ca 0.60 1.08 -0.29 0.00 0.36 0.00 0.00 54.97 56.72 1qjo s GLU 75 Cb -0.07 0.42 -0.32 0.00 0.26 0.00 0.00 34.13 34.42 1qjo s GLU 75 CO 0.38 -0.39 1.79 1.33 -0.54 0.00 0.00 175.26 177.82 1qjo n VAL 76 N 5.41 0.06 -3.36 3.70 0.24 -1.26 -2.21 118.33 120.92 1qjo n VAL 76 Ca -0.07 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1qjo n VAL 76 Cb 0.50 -2.01 0.00 0.00 -1.47 0.00 0.00 33.84 30.86 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 8.03 0.00 0.00 7.34 1.02 -1.26 -4.92 120.64 130.85 1qjo n GLU 77 Ca 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1qjo n GLU 77 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 -0.12 0.56 0.62 0.00 -1.26 -4.79 105.19 100.20 1qjo n GLY 78 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.22 0.00 4.61 0.00 -1.26 -5.20 120.51 118.44 1qjo n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qjo n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50