#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 -3.88 2.03 0.24 -1.26 -4.94 118.33 110.52 1qjo n VAL 2 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 1qjo n VAL 2 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 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 0.00 3.45 0.06 7.34 -0.14 0.30 -4.94 119.74 125.81 1qjo s LYS 3 Ca 0.00 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 1qjo s LYS 3 Cb 0.00 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1qjo s LYS 3 CO 0.00 0.41 0.20 -1.21 -0.76 0.00 0.00 175.35 173.99 1qjo s GLU 4 N -3.85 3.41 -0.41 1.68 8.01 -1.26 0.17 118.70 126.46 1qjo s GLU 4 Ca 0.35 -0.45 0.01 0.00 0.01 0.00 0.00 54.97 54.90 1qjo s GLU 4 Cb -0.10 -3.03 0.13 0.00 -4.31 0.00 0.00 34.13 26.83 1qjo s GLU 4 CO 0.30 0.61 0.21 0.08 0.01 0.00 0.00 175.26 176.47 1qjo s VAL 5 N -1.49 1.21 0.49 2.63 1.01 0.25 -4.72 120.40 119.77 1qjo s VAL 5 Ca 0.34 -2.29 0.08 0.00 0.00 0.00 0.00 61.98 60.10 1qjo s VAL 5 Cb -0.13 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1qjo s VAL 5 CO 0.27 -0.87 0.51 0.54 0.00 0.00 0.00 175.10 175.56 1qjo s ASN 6 N 0.62 5.04 -0.16 3.32 4.22 -1.26 0.92 114.94 127.64 1qjo s ASN 6 Ca 0.16 -0.85 -0.19 0.00 -2.14 0.00 0.00 52.86 49.84 1qjo s ASN 6 Cb -0.23 -0.12 -0.03 0.00 1.28 0.00 0.00 41.25 42.14 1qjo s ASN 6 CO -0.03 -0.95 0.54 -0.69 -2.04 0.00 0.00 177.10 173.93 1qjo s VAL 7 N -2.58 5.11 -0.08 3.54 1.01 -0.70 -4.75 120.40 121.95 1qjo s VAL 7 Ca 0.49 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 63.47 1qjo s VAL 7 Cb -0.05 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1qjo s VAL 7 CO 0.30 0.21 -0.07 1.55 0.00 0.00 0.00 175.10 177.09 1qjo h PRO 8 N 7.19 0.00 0.03 2.72 0.13 -1.93 0.28 132.00 140.41 1qjo h PRO 8 Ca -0.36 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.39 1qjo h PRO 8 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1qjo h PRO 8 CO 0.75 0.00 -2.26 -0.40 -0.23 0.00 0.00 178.00 175.87 1qjo n ASP 9 N -3.71 2.00 -3.37 1.44 5.68 -1.26 -4.78 116.55 112.55 1qjo n ASP 9 Ca -0.03 0.09 -0.13 0.00 -0.50 0.00 0.00 54.79 54.23 1qjo n ASP 9 Cb 0.11 -0.66 -0.03 0.00 -1.14 0.00 0.00 41.12 39.40 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 -3.62 0.00 -3.24 2.12 5.41 -1.26 -4.76 119.36 114.01 1qjo n ILE 10 Ca -0.43 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1qjo n ILE 10 Cb 0.96 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 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 3.93 3.21 0.00 7.39 0.00 -1.26 -1.10 105.19 117.36 1qjo n GLY 11 Ca 0.13 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 5.00 0.35 2.30 -0.02 0.00 -1.26 -4.82 105.19 106.74 1qjo n GLY 12 Ca 0.00 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 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 7.79 -1.04 1.61 8.00 -1.26 -4.90 116.55 126.75 1qjo n ASP 13 Ca 0.00 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1qjo n ASP 13 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 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 3.48 -0.30 -4.13 -1.24 1.02 -1.26 -4.99 120.64 113.21 1qjo n GLU 14 Ca 0.69 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.97 1qjo n GLU 14 Cb 0.32 -0.75 -0.10 0.00 -0.02 0.00 0.00 31.44 30.89 1qjo n GLU 14 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qjo s VAL 15 N -4.01 0.10 0.42 2.62 -7.23 -1.01 -4.72 120.40 106.56 1qjo s VAL 15 Ca 0.00 -1.85 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1qjo s VAL 15 Cb 0.00 -2.03 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 1qjo s VAL 15 CO 0.00 -0.43 0.01 -1.83 -0.31 0.00 0.00 175.10 172.54 1qjo s GLU 16 N -4.04 1.98 -0.26 4.82 -1.05 0.50 -0.34 118.70 120.29 1qjo s GLU 16 Ca 0.24 -2.14 -0.10 0.00 -0.15 0.00 0.00 54.97 52.82 1qjo s GLU 16 Cb 0.07 -1.59 -0.04 0.00 -0.44 0.00 0.00 34.13 32.12 1qjo s GLU 16 CO 0.02 -0.10 0.15 0.08 0.95 0.00 0.00 175.26 176.37 1qjo s VAL 17 N -2.76 5.07 -0.24 1.83 1.01 0.15 -0.50 120.40 124.97 1qjo s VAL 17 Ca 0.31 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1qjo s VAL 17 Cb 0.09 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 1qjo s VAL 17 CO 0.16 0.29 -0.26 0.35 0.00 0.00 0.00 175.10 175.64 1qjo n THR 18 N 4.89 1.52 -3.97 3.92 -2.24 0.44 0.84 114.28 119.68 1qjo n THR 18 Ca -0.15 -0.18 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 1qjo n THR 18 Cb 0.52 -2.04 -0.15 0.00 -2.10 0.00 0.00 70.33 66.56 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 -2.56 1.57 -0.90 -0.78 8.01 -1.13 -4.85 118.70 118.06 1qjo s GLU 19 Ca -0.34 -1.40 -0.25 0.00 0.01 0.00 0.00 54.97 53.00 1qjo s GLU 19 Cb 0.10 -2.80 0.02 0.00 -4.31 0.00 0.00 34.13 27.15 1qjo s GLU 19 CO 0.48 -0.77 1.52 0.54 0.01 0.00 0.00 175.26 177.03 1qjo s VAL 20 N 1.18 3.75 0.26 2.63 0.11 -1.26 -0.32 120.40 126.75 1qjo s VAL 20 Ca 0.02 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.70 1qjo s VAL 20 Cb -0.19 -4.77 0.18 0.00 -1.53 0.00 0.00 36.38 30.06 1qjo s VAL 20 CO -0.09 -1.69 1.84 0.24 -3.33 0.00 0.00 175.10 172.07 1qjo h MET 21 N 10.48 1.00 -5.57 1.54 0.00 -1.42 -3.46 114.93 117.52 1qjo h MET 21 Ca 0.03 -0.17 -0.45 0.00 0.00 0.00 0.00 59.70 59.11 1qjo h MET 21 Cb 1.03 -0.17 -0.14 0.00 0.00 0.00 0.00 31.60 32.32 1qjo h MET 21 CO 1.34 0.82 -0.73 0.08 0.00 0.00 0.00 176.91 178.42 1qjo s VAL 22 N -5.45 1.74 0.22 -2.22 1.01 -0.71 -5.03 120.40 109.96 1qjo s VAL 22 Ca -0.11 -2.21 0.03 0.00 0.00 0.00 0.00 61.98 59.69 1qjo s VAL 22 Cb 0.16 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1qjo s VAL 22 CO 0.81 -0.58 0.12 0.29 0.00 0.00 0.00 175.10 175.74 1qjo n LYS 23 N -0.39 0.52 -1.56 2.72 5.02 -1.26 -4.97 118.16 118.25 1qjo n LYS 23 Ca -0.08 -1.99 -0.18 0.00 -2.02 0.00 0.00 58.31 54.04 1qjo n LYS 23 Cb 0.60 1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 36.85 1qjo n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qjo n VAL 24 N -0.47 -0.02 0.00 -0.18 0.31 -1.26 -1.03 118.33 115.68 1qjo n VAL 24 Ca -0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1qjo n VAL 24 Cb 0.36 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 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 6.63 1.18 3.85 2.92 0.00 -0.88 -4.97 105.19 113.93 1qjo n GLY 25 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.90 6.74 -0.12 1.61 1.01 -0.20 -4.81 116.67 120.01 1qjo s ASP 26 Ca 0.00 0.91 -0.30 0.00 0.71 0.00 0.00 52.55 53.87 1qjo s ASP 26 Cb 0.00 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1qjo s ASP 26 CO 0.00 0.21 1.18 -1.59 0.21 0.00 0.00 175.17 175.18 1qjo s LYS 27 N -1.63 4.31 -0.18 8.23 -2.85 -1.26 -2.71 119.74 123.64 1qjo s LYS 27 Ca 0.31 1.60 -0.03 0.00 -1.00 0.00 0.00 55.97 56.85 1qjo s LYS 27 Cb -0.15 -3.64 -0.02 0.00 -2.06 0.00 0.00 37.83 31.97 1qjo s LYS 27 CO 0.17 -0.54 -0.05 0.08 0.10 0.00 0.00 175.35 175.11 1qjo s VAL 28 N 2.74 3.58 0.07 1.79 1.01 0.17 -4.98 120.40 124.77 1qjo s VAL 28 Ca 0.53 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1qjo s VAL 28 Cb -0.22 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1qjo s VAL 28 CO 0.17 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.61 1qjo s ALA 29 N 0.90 1.03 0.87 5.51 0.00 -1.26 0.60 121.76 129.40 1qjo s ALA 29 Ca -0.01 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1qjo s ALA 29 Cb -0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 1qjo s ALA 29 CO 0.01 0.10 -0.27 0.00 0.00 0.00 0.00 175.76 175.59 1qjo n ALA 30 N 1.23 -4.00 0.00 0.00 0.00 -1.23 -1.77 120.51 114.74 1qjo n ALA 30 Ca -0.21 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1qjo n ALA 30 Cb 0.55 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.05 0.00 -2.51 0.00 4.71 -1.26 -4.83 120.64 117.81 1qjo n GLU 31 Ca 0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.83 1qjo n GLU 31 Cb 0.53 -3.31 -0.03 0.00 -1.01 0.00 0.00 31.44 27.62 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 3.92 -0.16 3.49 0.74 -0.73 -4.82 119.66 122.11 1qjo s GLN 32 Ca 0.00 1.47 -0.25 0.00 0.05 0.00 0.00 55.36 56.63 1qjo s GLN 32 Cb 0.00 -2.29 -0.02 0.00 1.10 0.00 0.00 33.01 31.80 1qjo s GLN 32 CO 0.00 -0.34 0.81 -1.54 -0.55 0.00 0.00 175.29 173.66 1qjo s SER 33 N -1.75 6.94 -0.14 6.67 1.04 -1.26 -1.21 113.70 123.98 1qjo s SER 33 Ca 0.63 1.15 -0.10 0.00 0.48 0.00 0.00 55.95 58.12 1qjo s SER 33 Cb -0.20 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 1qjo s SER 33 CO 0.24 -0.37 0.04 -0.07 0.98 0.00 0.00 173.24 174.07 1qjo h LEU 34 N 8.19 0.00 -7.82 2.42 3.38 -0.61 -3.41 115.31 117.45 1qjo h LEU 34 Ca -0.30 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 1qjo h LEU 34 Cb 1.14 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.69 1qjo h LEU 34 CO 0.82 0.79 -0.52 0.27 0.09 0.00 0.00 178.44 179.89 1qjo s ILE 35 N -2.01 0.10 -0.12 1.22 -4.36 -0.77 -1.15 121.20 114.12 1qjo s ILE 35 Ca -0.12 -0.85 -0.06 0.00 -0.26 0.00 0.00 60.65 59.37 1qjo s ILE 35 Cb 0.01 -0.57 -0.04 0.00 1.25 0.00 0.00 42.46 43.11 1qjo s ILE 35 CO 0.24 -0.47 0.09 -0.89 0.24 0.00 0.00 174.94 174.16 1qjo s THR 36 N -1.81 5.09 0.06 8.37 2.01 0.56 -0.59 115.64 129.33 1qjo s THR 36 Ca -0.12 0.05 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1qjo s THR 36 Cb -0.06 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1qjo s THR 36 CO -0.01 0.60 -0.15 0.68 -0.69 0.00 0.00 174.62 175.05 1qjo s VAL 37 N -0.84 1.16 0.00 3.82 -7.23 0.15 -0.42 120.40 117.04 1qjo s VAL 37 Ca 0.13 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1qjo s VAL 37 Cb -0.12 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1qjo s VAL 37 CO 0.03 -0.12 0.00 1.21 -0.31 0.00 0.00 175.10 175.91 1qjo n GLU 38 N 1.51 0.96 0.00 4.82 2.13 0.34 -0.84 120.64 129.56 1qjo n GLU 38 Ca -0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1qjo n GLU 38 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 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 1.32 -1.51 3.56 8.31 0.00 -1.26 -0.37 105.19 115.24 1qjo n GLY 39 Ca 0.00 0.55 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 1qjo n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qjo s ASP 40 N 0.00 3.25 0.00 1.61 2.15 -1.26 -5.03 116.67 117.39 1qjo s ASP 40 Ca 0.00 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.55 1qjo s ASP 40 Cb 0.00 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 1qjo s ASP 40 CO 0.00 -0.60 0.07 2.29 -0.17 0.00 0.00 175.17 176.77 1qjo n LYS 41 N -0.89 0.00 -3.85 4.34 2.85 -1.26 -4.44 118.16 114.91 1qjo n LYS 41 Ca -0.06 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.94 1qjo n LYS 41 Cb 0.67 -0.40 -0.17 0.00 -0.65 0.00 0.00 35.03 34.48 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 -0.36 1.23 0.77 0.58 0.00 -1.26 -5.15 121.76 117.57 1qjo s ALA 42 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1qjo s ALA 42 Cb 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.16 1qjo s ALA 42 CO 0.00 -0.70 1.09 -1.54 0.00 0.00 0.00 175.76 174.61 1qjo s SER 43 N 1.75 4.75 -0.01 0.00 1.04 -1.26 -4.76 113.70 115.21 1qjo s SER 43 Ca 0.02 1.40 -0.08 0.00 0.48 0.00 0.00 55.95 57.77 1qjo s SER 43 Cb -0.14 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.81 1qjo s SER 43 CO -0.07 -1.82 0.16 -0.04 0.98 0.00 0.00 173.24 172.45 1qjo s MET 44 N -5.12 0.45 0.14 4.02 -1.94 -0.02 -5.03 119.30 111.80 1qjo s MET 44 Ca 0.60 -0.27 0.08 0.00 -1.71 0.00 0.00 55.69 54.39 1qjo s MET 44 Cb -0.14 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.85 1qjo s MET 44 CO 0.54 -0.11 -0.13 -1.21 -0.01 0.00 0.00 175.02 174.11 1qjo s GLU 45 N -1.13 1.98 -0.36 2.03 8.01 -1.26 0.30 118.70 128.27 1qjo s GLU 45 Ca -0.12 -1.17 -0.03 0.00 0.01 0.00 0.00 54.97 53.66 1qjo s GLU 45 Cb -0.06 -2.18 0.07 0.00 -4.31 0.00 0.00 34.13 27.64 1qjo s GLU 45 CO 0.02 0.47 0.11 0.08 0.01 0.00 0.00 175.26 175.95 1qjo s VAL 46 N -1.37 3.32 0.87 2.63 1.01 0.24 -4.92 120.40 122.19 1qjo s VAL 46 Ca 0.21 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.52 1qjo s VAL 46 Cb -0.10 -3.05 0.19 0.00 0.00 0.00 0.00 36.38 33.41 1qjo s VAL 46 CO 0.13 -0.37 1.19 -2.16 0.00 0.00 0.00 175.10 173.89 1qjo s PRO 47 N 1.25 0.94 -0.44 2.72 0.04 -1.26 0.07 135.00 138.32 1qjo s PRO 47 Ca 0.01 -0.90 -0.28 0.00 0.04 0.00 0.00 61.00 59.87 1qjo s PRO 47 Cb -0.21 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 1qjo s PRO 47 CO -0.01 -2.08 1.66 0.00 0.04 0.00 0.00 177.00 176.60 1qjo s ALA 48 N -3.57 2.77 0.59 8.56 0.00 -0.35 -4.59 121.76 125.17 1qjo s ALA 48 Ca 0.72 -0.15 0.30 0.00 0.00 0.00 0.00 51.96 52.83 1qjo s ALA 48 Cb -0.03 -4.06 1.39 0.00 0.00 0.00 0.00 23.12 20.42 1qjo s ALA 48 CO 0.49 -2.85 1.78 -1.00 0.00 0.00 0.00 175.76 174.18 1qjo h PRO 49 N 12.45 0.00 0.00 0.00 0.13 -1.91 -3.34 132.00 139.33 1qjo h PRO 49 Ca -0.30 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.88 1qjo h PRO 49 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1qjo h PRO 49 CO 1.10 0.00 0.27 1.97 -0.23 0.00 0.00 178.00 181.11 1qjo n PHE 50 N -3.70 -1.35 -3.49 1.56 1.16 -1.26 -4.95 117.46 105.43 1qjo n PHE 50 Ca 0.14 -0.88 -0.20 0.00 -1.87 0.00 0.00 57.45 54.64 1qjo n PHE 50 Cb 0.91 0.43 -0.01 0.00 -1.61 0.00 0.00 39.48 39.21 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 -1.61 4.10 0.00 1.98 0.00 -1.26 -3.53 121.76 121.44 1qjo s ALA 51 Ca 0.12 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1qjo s ALA 51 Cb -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1qjo s ALA 51 CO 0.05 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1qjo n GLY 52 N -1.66 0.35 3.49 0.00 0.00 0.20 -4.55 105.19 103.01 1qjo n GLY 52 Ca -0.02 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.84 1.41 -0.02 1.61 1.01 -1.01 0.44 120.40 121.99 1qjo s VAL 53 Ca 0.00 -2.01 -0.21 0.00 0.00 0.00 0.00 61.98 59.76 1qjo s VAL 53 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1qjo s VAL 53 CO 0.00 -0.01 0.62 -0.69 0.00 0.00 0.00 175.10 175.02 1qjo s VAL 54 N -3.14 4.93 -0.22 2.92 1.01 -1.10 -1.13 120.40 123.67 1qjo s VAL 54 Ca 0.36 1.30 -0.16 0.00 0.00 0.00 0.00 61.98 63.48 1qjo s VAL 54 Cb 0.09 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1qjo s VAL 54 CO 0.16 0.38 -0.16 1.17 0.00 0.00 0.00 175.10 176.64 1qjo n LYS 55 N 2.97 0.55 -3.47 2.72 0.00 0.12 -2.06 118.16 118.98 1qjo n LYS 55 Ca -0.05 0.39 -0.10 0.00 0.00 0.00 0.00 58.31 58.54 1qjo n LYS 55 Cb 0.51 -1.59 -0.02 0.00 0.00 0.00 0.00 35.03 33.93 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 -2.50 1.00 -0.22 1.64 -6.30 -0.43 -4.83 118.70 107.05 1qjo s GLU 56 Ca -0.30 -0.34 -0.12 0.00 -2.50 0.00 0.00 54.97 51.71 1qjo s GLU 56 Cb 0.08 0.46 0.07 0.00 0.00 0.00 0.00 34.13 34.74 1qjo s GLU 56 CO 0.46 -0.43 0.54 -0.48 0.02 0.00 0.00 175.26 175.36 1qjo s LEU 57 N -2.51 -0.46 -0.44 2.70 2.34 -1.26 -0.56 118.68 118.49 1qjo s LEU 57 Ca 0.03 1.17 0.04 0.00 0.06 0.00 0.00 54.13 55.43 1qjo s LEU 57 Cb -0.01 1.81 0.66 0.00 -0.56 0.00 0.00 46.19 48.10 1qjo s LEU 57 CO -0.10 -0.21 1.89 0.29 -1.06 0.00 0.00 176.35 177.16 1qjo n LYS 58 N 4.24 2.23 -4.43 1.48 5.02 -1.26 -4.93 118.16 120.51 1qjo n LYS 58 Ca -0.22 -3.02 -0.25 0.00 -2.02 0.00 0.00 58.31 52.80 1qjo n LYS 58 Cb 0.57 -2.16 -0.11 0.00 -0.02 0.00 0.00 35.03 33.31 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 -3.30 2.51 0.35 -0.18 -7.23 -1.26 -5.16 120.40 106.13 1qjo s VAL 59 Ca 0.56 -2.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1qjo s VAL 59 Cb 0.48 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1qjo s VAL 59 CO 0.10 -0.27 0.15 0.59 -0.31 0.00 0.00 175.10 175.36 1qjo n ASN 60 N -0.23 0.94 -4.50 4.85 5.03 -1.26 -5.06 115.26 115.03 1qjo n ASN 60 Ca -0.08 -2.92 -0.43 0.00 0.87 0.00 0.00 54.58 52.02 1qjo n ASN 60 Cb 0.58 0.99 -0.05 0.00 -1.02 0.00 0.00 39.78 40.28 1qjo n ASN 60 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1qjo s VAL 61 N -2.94 4.66 0.00 2.41 1.01 -1.26 -2.50 120.40 121.78 1qjo s VAL 61 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1qjo s VAL 61 Cb 0.01 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1qjo s VAL 61 CO 0.15 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 174.98 1qjo n GLY 62 N 5.11 1.99 3.55 4.51 0.00 0.25 -4.94 105.19 115.65 1qjo n GLY 62 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 3.77 -0.07 1.61 -1.08 -1.04 -4.83 116.67 113.03 1qjo s ASP 63 Ca 0.00 -1.18 -0.02 0.00 -0.52 0.00 0.00 52.55 50.83 1qjo s ASP 63 Cb 0.00 -0.36 -0.03 0.00 -1.46 0.00 0.00 42.92 41.06 1qjo s ASP 63 CO 0.00 -0.20 0.02 -1.59 0.52 0.00 0.00 175.17 173.92 1qjo s LYS 64 N -3.62 3.01 0.33 4.34 0.00 -1.26 0.32 119.74 122.86 1qjo s LYS 64 Ca 0.33 -0.42 0.07 0.00 0.00 0.00 0.00 55.97 55.95 1qjo s LYS 64 Cb 0.02 -2.82 -0.03 0.00 0.00 0.00 0.00 37.83 35.00 1qjo s LYS 64 CO 0.17 0.69 0.27 0.28 0.00 0.00 0.00 175.35 176.76 1qjo n VAL 65 N 1.91 0.00 0.00 1.79 0.31 0.54 -4.97 118.33 117.91 1qjo n VAL 65 Ca -0.17 -2.38 0.00 0.00 -0.01 0.00 0.00 64.34 61.77 1qjo n VAL 65 Cb 0.53 1.16 0.00 0.00 -0.91 0.00 0.00 33.84 34.63 1qjo n VAL 65 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1qjo n LYS 66 N -0.64 0.00 -0.36 5.55 2.85 -1.26 -2.39 118.16 121.90 1qjo n LYS 66 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.20 1qjo n LYS 66 Cb 0.59 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.94 1qjo n LYS 66 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1qjo n THR 67 N -1.50 0.00 0.00 0.58 -2.24 -0.26 -1.06 114.28 109.80 1qjo n THR 67 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qjo n THR 67 Cb 0.00 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.75 3.33 3.67 3.38 0.00 0.97 -4.89 105.19 113.39 1qjo n GLY 68 Ca 0.16 -1.00 -0.53 0.00 0.00 0.00 0.00 46.02 44.65 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 2.45 -3.53 1.61 2.88 -0.22 -4.28 113.62 112.79 1qjo n SER 69 Ca 0.00 1.07 -0.38 0.00 -1.33 0.00 0.00 58.87 58.23 1qjo n SER 69 Cb 0.00 -1.23 -0.04 0.00 -0.75 0.00 0.00 64.21 62.20 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 4.62 4.90 -0.06 2.46 4.77 -1.26 -1.73 117.00 130.70 1qjo n LEU 70 Ca 0.23 -3.15 -0.01 0.00 -0.03 0.00 0.00 56.01 53.05 1qjo n LEU 70 Cb 0.19 -1.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1qjo n LEU 70 CO 0.72 0.18 0.07 -0.38 -1.33 0.00 0.00 177.39 176.66 1qjo n ILE 71 N 5.36 -0.09 -3.64 -0.08 5.41 0.26 -4.78 119.36 121.81 1qjo n ILE 71 Ca 0.50 0.33 -0.01 0.00 1.00 0.00 0.00 62.75 64.57 1qjo n ILE 71 Cb 0.33 -0.42 0.01 0.00 -0.71 0.00 0.00 39.64 38.86 1qjo n ILE 71 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 176.55 177.70 1qjo n MET 72 N -4.18 0.22 -5.07 0.38 0.00 -0.76 -4.47 117.12 103.24 1qjo n MET 72 Ca 0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 57.70 56.87 1qjo n MET 72 Cb 0.04 0.71 -0.15 0.00 0.00 0.00 0.00 33.22 33.82 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 -2.34 2.48 0.50 3.17 -4.36 0.28 0.84 121.20 121.76 1qjo s ILE 73 Ca 0.09 -0.90 0.05 0.00 -0.26 0.00 0.00 60.65 59.63 1qjo s ILE 73 Cb -0.01 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.74 1qjo s ILE 73 CO 0.02 0.56 0.27 -0.36 0.24 0.00 0.00 174.94 175.67 1qjo s PHE 74 N -0.01 1.95 -0.29 1.37 0.08 0.13 0.15 117.98 121.35 1qjo s PHE 74 Ca -0.06 -0.79 -0.02 0.00 0.12 0.00 0.00 56.93 56.18 1qjo s PHE 74 Cb -0.15 -1.88 0.12 0.00 -0.57 0.00 0.00 43.02 40.55 1qjo s PHE 74 CO 0.05 -0.17 0.23 -2.00 -0.10 0.00 0.00 175.22 173.23 1qjo s GLU 75 N -4.11 0.29 0.00 0.44 2.56 -0.29 0.11 118.70 117.70 1qjo s GLU 75 Ca 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 54.94 1qjo s GLU 75 Cb -0.00 -0.86 0.00 0.00 2.00 0.00 0.00 34.13 35.27 1qjo s GLU 75 CO 0.18 -1.03 0.00 1.33 -0.56 0.00 0.00 175.26 175.18 1qjo n VAL 76 N 5.23 0.00 -4.25 3.70 0.24 -1.26 -2.41 118.33 119.58 1qjo n VAL 76 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 1qjo n VAL 76 Cb 0.44 -0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 32.27 1qjo n VAL 76 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1qjo n GLU 77 N 1.20 0.50 0.00 7.34 0.00 -1.26 -4.77 120.64 123.65 1qjo n GLU 77 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 57.16 55.04 1qjo n GLU 77 Cb 0.00 1.41 0.00 0.00 0.00 0.00 0.00 31.44 32.85 1qjo n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qjo n GLY 78 N 0.02 1.94 0.78 8.31 0.00 -1.26 -4.08 105.19 110.89 1qjo n GLY 78 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.28 4.61 0.00 -1.26 -5.18 120.51 118.40 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