#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 1.73 0.05 1.12 -7.23 -1.26 -4.83 120.40 109.97 1qjo s VAL 2 Ca 0.00 -2.17 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1qjo s VAL 2 Cb 0.00 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1qjo s VAL 2 CO 0.00 -0.57 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.57 1qjo s LYS 3 N -3.54 0.68 0.17 4.82 -0.14 0.15 -4.99 119.74 116.88 1qjo s LYS 3 Ca 0.21 -0.78 0.04 0.00 -1.36 0.00 0.00 55.97 54.08 1qjo s LYS 3 Cb -0.01 -0.58 -0.04 0.00 -1.68 0.00 0.00 37.83 35.52 1qjo s LYS 3 CO 0.07 0.13 0.21 -1.83 -0.76 0.00 0.00 175.35 173.16 1qjo s GLU 4 N -1.46 3.15 -0.53 1.68 -1.05 -1.26 -0.19 118.70 119.03 1qjo s GLU 4 Ca -0.05 -0.76 0.04 0.00 -0.15 0.00 0.00 54.97 54.05 1qjo s GLU 4 Cb -0.09 -2.79 0.14 0.00 -0.44 0.00 0.00 34.13 30.95 1qjo s GLU 4 CO 0.01 0.49 0.29 0.08 0.95 0.00 0.00 175.26 177.09 1qjo s VAL 5 N -1.78 2.40 0.52 1.83 1.01 0.16 -4.66 120.40 119.89 1qjo s VAL 5 Ca 0.33 -3.33 0.03 0.00 0.00 0.00 0.00 61.98 59.01 1qjo s VAL 5 Cb -0.10 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1qjo s VAL 5 CO 0.26 -0.85 0.73 0.54 0.00 0.00 0.00 175.10 175.77 1qjo s ASN 6 N -0.36 5.34 -0.13 3.32 2.20 -1.26 -1.36 114.94 122.70 1qjo s ASN 6 Ca 0.19 -0.14 -0.05 0.00 -0.94 0.00 0.00 52.86 51.91 1qjo s ASN 6 Cb -0.22 -0.77 -0.04 0.00 -2.00 0.00 0.00 41.25 38.22 1qjo s ASN 6 CO -0.03 -1.07 0.05 -0.69 -2.94 0.00 0.00 177.10 172.42 1qjo s VAL 7 N -2.67 4.68 0.00 3.54 1.01 -1.01 -4.68 120.40 121.28 1qjo s VAL 7 Ca 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1qjo s VAL 7 Cb -0.10 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1qjo s VAL 7 CO 0.37 0.55 0.00 -2.65 0.00 0.00 0.00 175.10 173.38 1qjo n PRO 8 N 2.66 -0.83 0.00 2.72 -0.02 -1.26 -0.23 135.00 138.04 1qjo n PRO 8 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1qjo n PRO 8 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1qjo n PRO 8 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1qjo n ASP 9 N -1.85 0.00 -3.55 2.55 5.68 -1.26 -3.57 116.55 114.55 1qjo n ASP 9 Ca 0.00 -0.25 -0.41 0.00 -0.50 0.00 0.00 54.79 53.64 1qjo n ASP 9 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1qjo n ASP 9 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1qjo n ILE 10 N 1.21 4.30 0.00 2.12 -0.00 -1.26 -4.81 119.36 120.92 1qjo n ILE 10 Ca 0.00 -3.37 0.00 0.00 -0.00 0.00 0.00 62.75 59.38 1qjo n ILE 10 Cb 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 39.64 37.18 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 3.19 1.27 0.00 7.39 0.00 -1.26 -4.49 105.19 111.28 1qjo n GLY 11 Ca 0.62 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.82 3.57 -0.02 0.00 -1.26 -4.62 105.19 104.68 1qjo n GLY 12 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1qjo n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 13 N 0.00 4.79 0.00 1.61 1.01 -1.26 -4.71 116.67 118.10 1qjo s ASP 13 Ca 0.00 -1.15 0.00 0.00 0.71 0.00 0.00 52.55 52.11 1qjo s ASP 13 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1qjo s ASP 13 CO 0.00 -3.24 0.00 1.21 0.21 0.00 0.00 175.17 173.35 1qjo n GLU 14 N 8.49 0.00 -3.07 8.23 2.13 -1.26 -4.91 120.64 130.25 1qjo n GLU 14 Ca 0.43 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 58.07 1qjo n GLU 14 Cb 0.46 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.18 1qjo n GLU 14 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1qjo s VAL 15 N 0.00 3.21 0.40 6.31 -7.23 -0.54 -4.89 120.40 117.65 1qjo s VAL 15 Ca 0.00 -0.96 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1qjo s VAL 15 Cb 0.00 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 1qjo s VAL 15 CO 0.00 -0.04 0.04 -1.83 -0.31 0.00 0.00 175.10 172.96 1qjo s GLU 16 N -4.36 1.88 -0.24 4.82 -1.05 0.92 0.16 118.70 120.84 1qjo s GLU 16 Ca 0.53 -2.10 -0.15 0.00 -0.15 0.00 0.00 54.97 53.10 1qjo s GLU 16 Cb -0.10 -1.19 -0.04 0.00 -0.44 0.00 0.00 34.13 32.36 1qjo s GLU 16 CO 0.33 -0.22 0.36 0.08 0.95 0.00 0.00 175.26 176.76 1qjo s VAL 17 N -3.03 5.21 -0.24 1.83 1.01 0.75 0.05 120.40 125.97 1qjo s VAL 17 Ca 0.29 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 1qjo s VAL 17 Cb 0.07 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.62 1qjo s VAL 17 CO 0.14 0.22 -0.24 0.35 0.00 0.00 0.00 175.10 175.57 1qjo n THR 18 N 4.69 1.38 -3.86 3.92 -2.24 -0.03 0.91 114.28 119.04 1qjo n THR 18 Ca -0.09 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 60.91 1qjo n THR 18 Cb 0.51 -1.48 -0.16 0.00 -2.10 0.00 0.00 70.33 67.11 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 -2.48 1.25 -1.22 -0.78 2.02 -1.10 -4.87 118.70 111.53 1qjo s GLU 19 Ca -0.33 -0.82 -0.09 0.00 0.02 0.00 0.00 54.97 53.74 1qjo s GLU 19 Cb 0.10 -2.41 0.20 0.00 0.10 0.00 0.00 34.13 32.12 1qjo s GLU 19 CO 0.53 -0.64 1.66 1.55 0.02 0.00 0.00 175.26 178.38 1qjo n VAL 20 N 4.80 4.53 -0.31 2.63 3.14 -1.26 -0.51 118.33 131.35 1qjo n VAL 20 Ca -0.10 -4.82 -0.04 0.00 -2.96 0.00 0.00 64.34 56.42 1qjo n VAL 20 Cb 0.45 -2.34 -0.02 0.00 -1.06 0.00 0.00 33.84 30.87 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 3.70 -0.25 -3.81 1.45 0.00 -0.96 -4.59 117.12 112.66 1qjo n MET 21 Ca 0.36 1.16 -0.21 0.00 0.00 0.00 0.00 57.70 59.01 1qjo n MET 21 Cb 0.37 -1.72 -0.03 0.00 0.00 0.00 0.00 33.22 31.84 1qjo n MET 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1qjo s VAL 22 N -5.56 3.64 0.29 2.03 0.11 -1.17 -5.08 120.40 114.65 1qjo s VAL 22 Ca -0.10 -1.34 -0.03 0.00 -2.93 0.00 0.00 61.98 57.58 1qjo s VAL 22 Cb 0.12 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1qjo s VAL 22 CO 0.51 -0.18 0.37 -1.59 -3.33 0.00 0.00 175.10 170.88 1qjo s LYS 23 N -4.00 1.64 -0.38 1.54 0.00 -1.26 -5.04 119.74 112.25 1qjo s LYS 23 Ca 0.41 -1.65 -0.38 0.00 0.00 0.00 0.00 55.97 54.34 1qjo s LYS 23 Cb -0.06 0.39 -0.14 0.00 0.00 0.00 0.00 37.83 38.02 1qjo s LYS 23 CO 0.27 -0.65 2.10 0.28 0.00 0.00 0.00 175.35 177.35 1qjo n VAL 24 N -0.46 0.16 0.00 1.79 0.31 -1.26 -1.01 118.33 117.85 1qjo n VAL 24 Ca 0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1qjo n VAL 24 Cb 0.63 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 6.38 0.95 3.92 2.92 0.00 -0.01 -5.02 105.19 114.32 1qjo n GLY 25 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.10 4.10 -0.09 1.61 1.01 -0.18 -4.78 116.67 117.24 1qjo s ASP 26 Ca 0.00 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.73 1qjo s ASP 26 Cb 0.00 -0.83 -0.03 0.00 1.01 0.00 0.00 42.92 43.07 1qjo s ASP 26 CO 0.00 -2.12 -0.08 -0.54 0.21 0.00 0.00 175.17 172.65 1qjo s LYS 27 N -5.58 3.02 0.22 8.23 3.01 -1.26 -0.51 119.74 126.85 1qjo s LYS 27 Ca 0.66 -0.58 0.08 0.00 -1.01 0.00 0.00 55.97 55.12 1qjo s LYS 27 Cb -0.08 -2.64 -0.05 0.00 -1.01 0.00 0.00 37.83 34.05 1qjo s LYS 27 CO 0.49 0.50 -0.13 0.08 0.51 0.00 0.00 175.35 176.80 1qjo s VAL 28 N -0.38 1.73 0.08 3.17 1.01 0.16 -4.96 120.40 121.20 1qjo s VAL 28 Ca 0.05 -2.20 -0.25 0.00 0.00 0.00 0.00 61.98 59.58 1qjo s VAL 28 Cb -0.12 -2.10 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1qjo s VAL 28 CO 0.02 -0.55 0.60 0.00 0.00 0.00 0.00 175.10 175.17 1qjo s ALA 29 N -2.98 -1.57 1.10 5.51 0.00 -1.26 -0.44 121.76 122.13 1qjo s ALA 29 Ca 0.24 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 1qjo s ALA 29 Cb -0.00 0.52 0.09 0.00 0.00 0.00 0.00 23.12 23.73 1qjo s ALA 29 CO 0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 175.76 175.23 1qjo n ALA 30 N 0.16 -4.09 -0.11 0.00 0.00 -1.12 -2.58 120.51 112.77 1qjo n ALA 30 Ca -0.18 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1qjo n ALA 30 Cb 0.62 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.89 0.00 -3.52 0.00 4.71 -1.26 -4.85 120.64 113.83 1qjo n GLU 31 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.74 1qjo n GLU 31 Cb 0.62 -3.21 -0.10 0.00 -1.01 0.00 0.00 31.44 27.73 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 -0.22 2.90 0.07 3.49 -0.44 -1.07 -4.93 119.66 119.47 1qjo s GLN 32 Ca 0.00 -1.05 -0.36 0.00 -2.50 0.00 0.00 55.36 51.45 1qjo s GLN 32 Cb 0.00 -3.88 -0.19 0.00 -1.64 0.00 0.00 33.01 27.30 1qjo s GLN 32 CO 0.00 -0.73 0.88 0.43 0.50 0.00 0.00 175.29 176.37 1qjo n SER 33 N 5.09 -0.42 -0.07 6.67 7.64 -1.26 -2.81 113.62 128.46 1qjo n SER 33 Ca -0.11 1.15 -0.07 0.00 1.01 0.00 0.00 58.87 60.85 1qjo n SER 33 Cb 0.47 -0.94 -0.02 0.00 -1.01 0.00 0.00 64.21 62.71 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 1.69 1.57 -3.95 -3.43 4.77 0.92 -4.66 117.00 113.90 1qjo n LEU 34 Ca 0.19 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1qjo n LEU 34 Cb 0.14 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.45 1qjo n LEU 34 CO 0.59 -0.33 -0.29 0.27 -1.33 0.00 0.00 177.39 176.31 1qjo s ILE 35 N -2.54 0.12 -0.12 -0.08 -4.36 -0.24 -2.26 121.20 111.71 1qjo s ILE 35 Ca -0.23 -0.96 -0.06 0.00 -0.26 0.00 0.00 60.65 59.14 1qjo s ILE 35 Cb 0.03 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.18 1qjo s ILE 35 CO 0.34 -0.53 0.10 -0.89 0.24 0.00 0.00 174.94 174.20 1qjo s THR 36 N -1.85 5.18 0.09 8.37 2.01 0.33 -0.58 115.64 129.19 1qjo s THR 36 Ca -0.12 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.03 1qjo s THR 36 Cb -0.06 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1qjo s THR 36 CO -0.02 0.59 -0.15 0.68 -0.69 0.00 0.00 174.62 175.03 1qjo s VAL 37 N -0.76 1.24 0.28 3.82 -7.23 0.65 -0.85 120.40 117.55 1qjo s VAL 37 Ca 0.13 -1.42 0.09 0.00 -1.81 0.00 0.00 61.98 58.97 1qjo s VAL 37 Cb -0.12 -1.23 -0.06 0.00 0.56 0.00 0.00 36.38 35.54 1qjo s VAL 37 CO 0.03 -0.24 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.76 1qjo s GLU 38 N -1.95 1.61 -0.02 4.82 2.56 0.11 -0.06 118.70 125.77 1qjo s GLU 38 Ca 0.01 -1.78 -0.09 0.00 0.00 0.00 0.00 54.97 53.11 1qjo s GLU 38 Cb -0.09 -1.44 0.01 0.00 2.00 0.00 0.00 34.13 34.61 1qjo s GLU 38 CO 0.03 0.16 0.19 0.20 -0.56 0.00 0.00 175.26 175.28 1qjo s GLY 39 N -3.48 -0.04 0.00 -1.50 0.00 0.14 -0.05 107.32 102.39 1qjo s GLY 39 Ca 0.29 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1qjo s GLY 39 CO 0.13 -0.03 0.00 1.22 0.00 0.00 0.00 173.10 174.41 1qjo n ASP 40 N 1.70 0.00 -2.14 1.64 9.92 -1.26 0.09 116.55 126.50 1qjo n ASP 40 Ca -0.21 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.05 1qjo n ASP 40 Cb 0.56 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.09 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 0.00 1.35 -3.64 -1.24 0.00 -1.26 -5.09 118.16 108.29 1qjo n LYS 41 Ca 0.00 -3.07 -0.09 0.00 -0.00 0.00 0.00 58.31 55.15 1qjo n LYS 41 Cb 0.00 -1.15 -0.07 0.00 -0.00 0.00 0.00 35.03 33.81 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 -2.48 -1.95 0.40 0.58 0.00 0.11 -5.18 121.76 113.24 1qjo s ALA 42 Ca 0.33 2.07 0.08 0.00 0.00 0.00 0.00 51.96 54.43 1qjo s ALA 42 Cb 0.36 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1qjo s ALA 42 CO -0.08 -0.31 0.30 0.45 0.00 0.00 0.00 175.76 176.13 1qjo s SER 43 N 0.69 4.91 0.04 0.00 0.15 -1.26 0.28 113.70 118.50 1qjo s SER 43 Ca -0.02 -0.79 -0.28 0.00 0.70 0.00 0.00 55.95 55.56 1qjo s SER 43 Cb -0.05 -0.61 0.09 0.00 -1.71 0.00 0.00 66.02 63.74 1qjo s SER 43 CO -0.08 -0.57 0.95 -0.32 1.20 0.00 0.00 173.24 174.43 1qjo s MET 44 N -4.04 0.91 -0.07 5.44 0.00 0.91 -4.96 119.30 117.49 1qjo s MET 44 Ca 0.45 -0.42 -0.03 0.00 0.00 0.00 0.00 55.69 55.69 1qjo s MET 44 Cb -0.02 0.36 -0.04 0.00 0.00 0.00 0.00 34.83 35.14 1qjo s MET 44 CO 0.26 -0.41 0.08 -1.21 0.00 0.00 0.00 175.02 173.74 1qjo s GLU 45 N -3.11 3.17 -0.35 4.11 8.01 -1.26 -0.25 118.70 129.02 1qjo s GLU 45 Ca 0.08 -0.33 0.03 0.00 0.01 0.00 0.00 54.97 54.76 1qjo s GLU 45 Cb -0.01 -2.95 0.10 0.00 -4.31 0.00 0.00 34.13 26.96 1qjo s GLU 45 CO -0.05 0.71 0.08 0.08 0.01 0.00 0.00 175.26 176.09 1qjo s VAL 46 N -1.03 2.13 0.84 2.63 1.01 0.25 -4.94 120.40 121.29 1qjo s VAL 46 Ca 0.17 -2.33 -0.13 0.00 0.00 0.00 0.00 61.98 59.70 1qjo s VAL 46 Cb -0.12 -2.57 0.19 0.00 0.00 0.00 0.00 36.38 33.88 1qjo s VAL 46 CO 0.07 -0.63 1.14 -0.81 0.00 0.00 0.00 175.10 174.87 1qjo n PRO 47 N 4.21 -0.99 -1.97 2.72 -0.04 -1.26 -0.06 135.00 137.61 1qjo n PRO 47 Ca 0.03 -1.93 -0.39 0.00 -0.04 0.00 0.00 63.50 61.18 1qjo n PRO 47 Cb 0.41 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 1qjo n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qjo s ALA 48 N -3.84 2.26 0.61 0.55 0.00 -1.12 -4.55 121.76 115.66 1qjo s ALA 48 Ca 0.66 -0.37 0.26 0.00 0.00 0.00 0.00 51.96 52.51 1qjo s ALA 48 Cb -0.02 -4.25 0.93 0.00 0.00 0.00 0.00 23.12 19.79 1qjo s ALA 48 CO 0.46 -3.69 1.34 -1.00 0.00 0.00 0.00 175.76 172.87 1qjo h PRO 49 N 15.06 0.00 0.00 0.00 0.13 -1.92 -3.36 132.00 141.92 1qjo h PRO 49 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1qjo h PRO 49 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1qjo h PRO 49 CO 1.17 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.91 1qjo n PHE 50 N -3.25 -0.41 -3.89 1.56 -1.74 -1.26 -4.93 117.46 103.54 1qjo n PHE 50 Ca 0.21 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.89 1qjo n PHE 50 Cb 1.44 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 42.40 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 -1.00 3.77 0.00 1.98 0.00 -1.26 -2.78 121.76 122.46 1qjo s ALA 51 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1qjo s ALA 51 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1qjo s ALA 51 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1qjo n GLY 52 N -1.32 0.83 3.99 0.00 0.00 0.42 -4.61 105.19 104.49 1qjo n GLY 52 Ca -0.03 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.04 3.83 -0.51 1.61 -7.23 0.05 0.36 120.40 117.47 1qjo s VAL 53 Ca 0.00 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.94 1qjo s VAL 53 Cb 0.00 -3.32 0.04 0.00 0.56 0.00 0.00 36.38 33.66 1qjo s VAL 53 CO 0.00 -0.12 0.80 -0.69 -0.31 0.00 0.00 175.10 174.77 1qjo s VAL 54 N -2.22 4.61 -0.09 1.32 1.01 0.33 -1.71 120.40 123.66 1qjo s VAL 54 Ca 0.47 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.45 1qjo s VAL 54 Cb -0.09 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1qjo s VAL 54 CO 0.31 -0.91 -0.15 1.17 0.00 0.00 0.00 175.10 175.52 1qjo n LYS 55 N 6.85 0.29 -4.03 2.72 0.00 -0.84 -0.83 118.16 122.31 1qjo n LYS 55 Ca -0.01 0.27 -0.08 0.00 0.00 0.00 0.00 58.31 58.49 1qjo n LYS 55 Cb 0.47 -1.17 -0.10 0.00 0.00 0.00 0.00 35.03 34.22 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 -1.91 0.50 0.00 1.64 2.12 -1.15 -4.77 118.70 115.12 1qjo s GLU 56 Ca -0.13 -0.94 -0.28 0.00 0.36 0.00 0.00 54.97 53.98 1qjo s GLU 56 Cb 0.02 0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.66 1qjo s GLU 56 CO 0.19 -0.09 0.71 -0.48 -0.54 0.00 0.00 175.26 175.05 1qjo s LEU 57 N -2.29 -0.58 -0.44 2.70 2.34 -1.26 0.58 118.68 119.73 1qjo s LEU 57 Ca -0.03 0.42 0.09 0.00 0.06 0.00 0.00 54.13 54.67 1qjo s LEU 57 Cb 0.00 2.44 0.38 0.00 -0.56 0.00 0.00 46.19 48.45 1qjo s LEU 57 CO -0.06 -0.68 0.93 0.29 -1.06 0.00 0.00 176.35 175.76 1qjo n LYS 58 N 0.42 2.29 -4.01 1.48 4.01 -1.16 -5.01 118.16 116.19 1qjo n LYS 58 Ca -0.17 -4.09 -0.09 0.00 -0.51 0.00 0.00 58.31 53.45 1qjo n LYS 58 Cb 0.60 -1.91 -0.11 0.00 -0.51 0.00 0.00 35.03 33.09 1qjo n LYS 58 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1qjo s VAL 59 N -3.92 0.18 0.31 -0.18 0.11 -1.25 -5.03 120.40 110.62 1qjo s VAL 59 Ca 0.42 -1.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 1qjo s VAL 59 Cb 0.36 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.67 1qjo s VAL 59 CO -0.10 -0.56 0.08 0.20 -3.33 0.00 0.00 175.10 171.39 1qjo s ASN 60 N -1.69 2.01 -0.43 3.54 0.02 -1.26 -5.06 114.94 112.07 1qjo s ASN 60 Ca -0.12 -1.42 -0.23 0.00 -1.02 0.00 0.00 52.86 50.07 1qjo s ASN 60 Cb -0.07 0.07 0.02 0.00 0.02 0.00 0.00 41.25 41.29 1qjo s ASN 60 CO -0.02 -0.69 0.80 -0.69 0.02 0.00 0.00 177.10 176.52 1qjo s VAL 61 N -3.44 4.65 0.00 1.60 1.01 -1.26 -2.33 120.40 120.63 1qjo s VAL 61 Ca 0.36 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1qjo s VAL 61 Cb 0.08 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1qjo s VAL 61 CO 0.15 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1qjo n GLY 62 N 4.85 1.81 3.80 4.51 0.00 0.26 -4.95 105.19 115.46 1qjo n GLY 62 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 4.39 0.08 1.61 2.15 -0.98 -4.83 116.67 117.08 1qjo s ASP 63 Ca 0.00 -1.31 -0.02 0.00 0.43 0.00 0.00 52.55 51.65 1qjo s ASP 63 Cb 0.00 0.11 -0.04 0.00 -0.30 0.00 0.00 42.92 42.69 1qjo s ASP 63 CO 0.00 -0.82 0.26 -0.54 -0.17 0.00 0.00 175.17 173.90 1qjo s LYS 64 N -4.01 3.50 0.20 4.34 -0.14 -1.26 -0.18 119.74 122.18 1qjo s LYS 64 Ca 0.28 -0.31 -0.06 0.00 -1.36 0.00 0.00 55.97 54.52 1qjo s LYS 64 Cb 0.01 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.15 1qjo s LYS 64 CO 0.16 0.57 0.25 0.08 -0.76 0.00 0.00 175.35 175.65 1qjo s VAL 65 N -1.53 0.03 0.00 3.17 1.01 0.12 -4.91 120.40 118.29 1qjo s VAL 65 Ca 0.36 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1qjo s VAL 65 Cb -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1qjo s VAL 65 CO 0.26 -0.13 0.00 2.29 0.00 0.00 0.00 175.10 177.52 1qjo n LYS 66 N -0.26 0.00 -0.97 2.72 2.85 -1.26 -1.47 118.16 119.76 1qjo n LYS 66 Ca -0.02 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.86 1qjo n LYS 66 Cb 0.64 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.96 1qjo n LYS 66 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1qjo n THR 67 N -0.23 0.00 0.00 0.58 5.66 -1.23 -1.66 114.28 117.40 1qjo n THR 67 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1qjo n THR 67 Cb 0.00 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 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 1.94 2.72 3.68 1.09 0.00 0.68 -4.93 105.19 110.36 1qjo n GLY 68 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1qjo n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qjo s SER 69 N -0.47 7.00 -1.16 1.61 0.01 -0.66 -4.57 113.70 115.46 1qjo s SER 69 Ca 0.00 1.78 -0.18 0.00 1.31 0.00 0.00 55.95 58.85 1qjo s SER 69 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1qjo s SER 69 CO 0.00 -0.66 2.02 0.18 0.41 0.00 0.00 173.24 175.20 1qjo n LEU 70 N 5.75 5.21 0.06 2.44 4.32 -1.26 -2.40 117.00 131.11 1qjo n LEU 70 Ca 0.12 -3.55 -0.11 0.00 -0.02 0.00 0.00 56.01 52.45 1qjo n LEU 70 Cb 0.46 -1.48 -0.05 0.00 -1.62 0.00 0.00 43.42 40.73 1qjo n LEU 70 CO 0.56 0.14 0.75 0.16 -1.22 0.00 0.00 177.39 177.78 1qjo h ILE 71 N 4.60 0.60 -2.43 -0.08 -0.00 -1.56 -3.46 117.51 115.18 1qjo h ILE 71 Ca 0.46 0.00 -0.54 0.00 -0.00 0.00 0.00 64.86 64.78 1qjo h ILE 71 Cb 0.71 0.60 -0.13 0.00 -0.00 0.00 0.00 36.82 38.00 1qjo h ILE 71 CO 1.79 0.00 -0.55 0.00 -0.00 0.00 0.00 178.15 179.39 1qjo s MET 72 N -6.13 1.86 -0.09 0.16 0.23 -1.16 -3.00 119.30 111.17 1qjo s MET 72 Ca -0.15 -2.11 0.03 0.00 -1.03 0.00 0.00 55.69 52.44 1qjo s MET 72 Cb 0.09 -0.83 0.01 0.00 -1.53 0.00 0.00 34.83 32.56 1qjo s MET 72 CO 0.66 -0.35 -0.19 0.42 -2.03 0.00 0.00 175.02 173.54 1qjo s ILE 73 N -3.19 1.66 0.25 3.16 1.01 0.20 0.36 121.20 124.64 1qjo s ILE 73 Ca 0.27 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.23 1qjo s ILE 73 Cb 0.05 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1qjo s ILE 73 CO 0.14 0.47 -0.06 -0.36 0.00 0.00 0.00 174.94 175.12 1qjo s PHE 74 N 0.52 2.60 -0.05 3.97 0.08 0.73 -1.98 117.98 123.85 1qjo s PHE 74 Ca -0.16 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 1qjo s PHE 74 Cb -0.17 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.14 1qjo s PHE 74 CO 0.06 0.62 -0.00 -2.00 -0.10 0.00 0.00 175.22 173.80 1qjo s GLU 75 N -3.46 0.51 -0.34 0.44 2.12 -0.69 0.34 118.70 117.62 1qjo s GLU 75 Ca 0.30 0.09 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 1qjo s GLU 75 Cb -0.07 -0.78 -0.08 0.00 0.26 0.00 0.00 34.13 33.46 1qjo s GLU 75 CO 0.18 -0.22 1.84 1.33 -0.54 0.00 0.00 175.26 177.85 1qjo n VAL 76 N 4.70 1.56 0.00 3.70 0.24 -1.26 -0.77 118.33 126.51 1qjo n VAL 76 Ca -0.15 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1qjo n VAL 76 Cb 0.50 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 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 3.57 0.00 0.10 7.34 -0.58 -1.26 -4.25 120.64 125.55 1qjo n GLU 77 Ca 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1qjo n GLU 77 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 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 0.00 -0.27 0.00 0.62 0.00 -1.26 -5.04 105.19 99.23 1qjo n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.18 0.00 0.00 4.61 0.00 -1.26 -5.22 120.51 115.46 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