#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 -4.33 1.12 0.24 -1.26 -5.07 118.33 109.03 1qjo n VAL 2 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1qjo n VAL 2 Cb 0.00 -0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 31.89 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 -3.34 1.26 0.07 7.34 3.01 0.14 -5.01 119.74 123.21 1qjo s LYS 3 Ca 0.25 -1.40 0.04 0.00 -1.01 0.00 0.00 55.97 53.85 1qjo s LYS 3 Cb -0.04 -1.32 -0.04 0.00 -1.01 0.00 0.00 37.83 35.42 1qjo s LYS 3 CO 0.21 0.27 0.03 -1.21 0.51 0.00 0.00 175.35 175.16 1qjo s GLU 4 N -2.78 2.71 -0.48 1.68 2.02 -1.26 0.49 118.70 121.08 1qjo s GLU 4 Ca 0.15 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.26 1qjo s GLU 4 Cb -0.06 -2.63 0.10 0.00 0.10 0.00 0.00 34.13 31.64 1qjo s GLU 4 CO 0.06 0.56 0.38 0.08 0.02 0.00 0.00 175.26 176.37 1qjo s VAL 5 N -1.31 4.78 -0.16 2.63 1.01 0.23 -4.75 120.40 122.83 1qjo s VAL 5 Ca 0.26 -1.41 -0.14 0.00 0.00 0.00 0.00 61.98 60.69 1qjo s VAL 5 Cb -0.12 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1qjo s VAL 5 CO 0.19 -0.68 0.30 0.54 0.00 0.00 0.00 175.10 175.45 1qjo s ASN 6 N 2.77 6.45 0.21 3.32 2.20 -1.26 -1.49 114.94 127.14 1qjo s ASN 6 Ca 0.04 0.52 -0.32 0.00 -0.94 0.00 0.00 52.86 52.16 1qjo s ASN 6 Cb -0.26 -2.19 -0.13 0.00 -2.00 0.00 0.00 41.25 36.67 1qjo s ASN 6 CO 0.03 0.09 1.51 0.52 -2.94 0.00 0.00 177.10 176.32 1qjo n VAL 7 N 3.58 0.50 -0.82 3.54 0.31 0.21 -4.68 118.33 120.96 1qjo n VAL 7 Ca -0.12 -0.13 -0.20 0.00 -0.01 0.00 0.00 64.34 63.89 1qjo n VAL 7 Cb 0.52 -1.56 0.17 0.00 -0.91 0.00 0.00 33.84 32.05 1qjo n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1qjo n PRO 8 N 2.72 -2.48 -0.08 5.55 -0.04 -1.26 -0.25 135.00 139.16 1qjo n PRO 8 Ca 0.14 -1.13 -0.01 0.00 -0.04 0.00 0.00 63.50 62.46 1qjo n PRO 8 Cb 0.31 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 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 -4.25 0.53 -3.20 3.54 5.75 -1.26 -3.22 116.55 114.44 1qjo n ASP 9 Ca 0.10 -1.44 -0.35 0.00 -0.01 0.00 0.00 54.79 53.08 1qjo n ASP 9 Cb 0.38 -0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 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 2.61 4.04 -0.92 2.12 -5.35 -1.26 -4.96 119.36 115.64 1qjo n ILE 10 Ca 0.03 -2.39 -0.31 0.00 -0.27 0.00 0.00 62.75 59.81 1qjo n ILE 10 Cb 0.08 -2.53 -0.02 0.00 -1.74 0.00 0.00 39.64 35.43 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 3.52 -1.16 0.00 3.28 0.00 -1.26 -4.82 105.19 104.74 1qjo n GLY 11 Ca 0.73 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 1.32 1.39 0.00 -0.02 0.00 -1.26 -4.99 105.19 101.62 1qjo n GLY 12 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.45 1.61 8.00 -1.26 -4.04 116.55 119.40 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 -0.62 -0.39 0.00 0.00 177.20 176.19 1qjo n GLU 14 N 0.00 -3.16 -4.45 -1.24 -0.58 -1.26 -4.93 120.64 105.02 1qjo n GLU 14 Ca 0.00 2.46 -0.25 0.00 -0.42 0.00 0.00 57.16 58.96 1qjo n GLU 14 Cb 0.00 -2.51 -0.10 0.00 -0.57 0.00 0.00 31.44 28.26 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 -0.30 2.52 0.38 2.62 -7.23 -1.08 -4.77 120.40 112.54 1qjo s VAL 15 Ca 0.00 -2.30 0.07 0.00 -1.81 0.00 0.00 61.98 57.94 1qjo s VAL 15 Cb 0.00 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 1qjo s VAL 15 CO 0.00 -0.34 0.51 -1.83 -0.31 0.00 0.00 175.10 173.13 1qjo s GLU 16 N -3.35 2.95 -0.33 4.82 -1.05 0.87 -0.06 118.70 122.55 1qjo s GLU 16 Ca 0.28 -1.14 -0.09 0.00 -0.15 0.00 0.00 54.97 53.87 1qjo s GLU 16 Cb -0.06 -2.77 0.01 0.00 -0.44 0.00 0.00 34.13 30.87 1qjo s GLU 16 CO 0.14 -0.11 0.15 0.08 0.95 0.00 0.00 175.26 176.48 1qjo s VAL 17 N -2.27 4.44 -0.13 1.83 1.01 0.27 -0.72 120.40 124.82 1qjo s VAL 17 Ca 0.50 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1qjo s VAL 17 Cb -0.10 -3.35 -0.25 0.00 0.00 0.00 0.00 36.38 32.68 1qjo s VAL 17 CO 0.32 -0.04 0.34 0.35 0.00 0.00 0.00 175.10 176.06 1qjo n THR 18 N 4.96 1.76 -3.70 3.92 -2.24 0.73 0.76 114.28 120.46 1qjo n THR 18 Ca -0.13 -0.60 -0.29 0.00 -2.27 0.00 0.00 64.05 60.76 1qjo n THR 18 Cb 0.48 -1.76 -0.15 0.00 -2.10 0.00 0.00 70.33 66.80 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 -2.54 0.60 -1.40 -0.78 2.02 -0.99 -4.87 118.70 110.75 1qjo s GLU 19 Ca -0.23 -0.85 -0.15 0.00 0.02 0.00 0.00 54.97 53.75 1qjo s GLU 19 Cb 0.07 -1.84 0.06 0.00 0.10 0.00 0.00 34.13 32.51 1qjo s GLU 19 CO 0.75 -0.93 2.04 1.55 0.02 0.00 0.00 175.26 178.68 1qjo n VAL 20 N 4.96 3.66 -0.31 2.63 3.14 -1.26 -0.53 118.33 130.62 1qjo n VAL 20 Ca -0.04 -3.45 0.16 0.00 -2.96 0.00 0.00 64.34 58.04 1qjo n VAL 20 Cb 0.43 -2.51 0.31 0.00 -1.06 0.00 0.00 33.84 31.01 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 6.84 -0.07 -4.02 1.45 0.00 -1.18 -4.62 117.12 115.52 1qjo n MET 21 Ca 0.50 1.36 -0.28 0.00 0.00 0.00 0.00 57.70 59.29 1qjo n MET 21 Cb 0.41 -2.20 -0.05 0.00 0.00 0.00 0.00 33.22 31.39 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 -5.83 4.85 0.38 2.03 -7.23 -1.15 -5.07 120.40 108.38 1qjo s VAL 22 Ca -0.11 -0.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 1qjo s VAL 22 Cb 0.28 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 1qjo s VAL 22 CO 0.72 -0.03 0.10 -0.54 -0.31 0.00 0.00 175.10 175.04 1qjo s LYS 23 N -2.94 1.82 -0.42 4.82 3.01 -1.26 -5.06 119.74 119.71 1qjo s LYS 23 Ca 0.32 -2.08 -0.32 0.00 -1.01 0.00 0.00 55.97 52.88 1qjo s LYS 23 Cb -0.11 -0.68 -0.11 0.00 -1.01 0.00 0.00 37.83 35.93 1qjo s LYS 23 CO 0.25 -0.38 2.29 0.28 0.51 0.00 0.00 175.35 178.30 1qjo n VAL 24 N -0.82 0.14 0.00 3.17 0.31 -1.26 -1.89 118.33 117.97 1qjo n VAL 24 Ca -0.05 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1qjo n VAL 24 Cb 0.66 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 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 6.33 0.88 3.67 2.92 0.00 0.12 -5.00 105.19 114.11 1qjo n GLY 25 Ca 0.41 0.00 -0.33 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 0.67 -4.23 1.61 8.00 -0.79 -4.64 116.55 117.16 1qjo n ASP 26 Ca 0.00 0.52 -0.40 0.00 0.71 0.00 0.00 54.79 55.62 1qjo n ASP 26 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 39.51 1qjo n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qjo s LYS 27 N -4.29 2.49 -0.29 -1.24 -0.14 -1.26 -1.10 119.74 113.92 1qjo s LYS 27 Ca 0.70 -1.57 -0.09 0.00 -1.36 0.00 0.00 55.97 53.65 1qjo s LYS 27 Cb -0.27 -3.77 -0.02 0.00 -1.68 0.00 0.00 37.83 32.09 1qjo s LYS 27 CO 0.54 -1.01 0.14 0.08 -0.76 0.00 0.00 175.35 174.34 1qjo s VAL 28 N 1.37 4.69 0.17 3.17 1.01 0.15 -4.98 120.40 125.98 1qjo s VAL 28 Ca 0.04 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1qjo s VAL 28 Cb -0.24 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1qjo s VAL 28 CO 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 175.10 175.23 1qjo s ALA 29 N 1.65 3.05 -0.88 5.51 0.00 -1.26 0.36 121.76 130.19 1qjo s ALA 29 Ca 0.06 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 1qjo s ALA 29 Cb -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1qjo s ALA 29 CO 0.07 0.48 1.67 0.00 0.00 0.00 0.00 175.76 177.98 1qjo s ALA 30 N -1.70 2.25 0.00 0.00 0.00 -1.22 -1.76 121.76 119.33 1qjo s ALA 30 Ca 0.26 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1qjo s ALA 30 Cb -0.09 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1qjo s ALA 30 CO 0.17 -4.06 0.00 -0.85 0.00 0.00 0.00 175.76 171.01 1qjo n GLU 31 N 8.98 0.00 -2.62 0.00 0.28 -1.26 -4.98 120.64 121.04 1qjo n GLU 31 Ca 0.30 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 57.06 1qjo n GLU 31 Cb 0.49 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.39 1qjo n GLU 31 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1qjo s GLN 32 N 0.00 2.85 -0.55 3.44 1.03 -0.72 -4.86 119.66 120.85 1qjo s GLN 32 Ca 0.00 -0.30 -0.25 0.00 0.04 0.00 0.00 55.36 54.85 1qjo s GLN 32 Cb 0.00 -2.39 0.04 0.00 0.03 0.00 0.00 33.01 30.69 1qjo s GLN 32 CO 0.00 -0.60 0.97 -1.54 -2.54 0.00 0.00 175.29 171.57 1qjo s SER 33 N -4.31 6.36 -0.01 12.60 1.04 -1.26 -0.70 113.70 127.42 1qjo s SER 33 Ca 0.53 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.57 1qjo s SER 33 Cb -0.10 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 1qjo s SER 33 CO 0.42 -1.24 0.74 -0.07 0.98 0.00 0.00 173.24 174.06 1qjo h LEU 34 N 11.03 -0.39 -8.00 2.42 3.38 -0.35 -3.43 115.31 119.98 1qjo h LEU 34 Ca -0.26 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1qjo h LEU 34 Cb 1.07 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 1qjo h LEU 34 CO 1.09 -0.14 -0.55 0.27 0.09 0.00 0.00 178.44 179.21 1qjo s ILE 35 N -3.25 0.17 -0.14 1.22 -4.36 -0.94 -2.92 121.20 110.98 1qjo s ILE 35 Ca -0.07 -1.37 -0.05 0.00 -0.26 0.00 0.00 60.65 58.90 1qjo s ILE 35 Cb 0.01 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 1qjo s ILE 35 CO 0.20 -0.75 0.04 -0.89 0.24 0.00 0.00 174.94 173.78 1qjo s THR 36 N -3.37 4.65 0.28 8.37 2.01 0.32 -0.37 115.64 127.53 1qjo s THR 36 Ca 0.02 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1qjo s THR 36 Cb 0.03 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 1qjo s THR 36 CO -0.08 0.53 -0.03 0.68 -0.69 0.00 0.00 174.62 175.03 1qjo s VAL 37 N -0.19 1.46 0.08 3.82 -7.23 0.77 -0.19 120.40 118.90 1qjo s VAL 37 Ca 0.07 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 1qjo s VAL 37 Cb -0.12 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1qjo s VAL 37 CO 0.02 -0.27 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.80 1qjo s GLU 38 N -3.78 0.80 0.00 4.82 0.41 0.10 -0.73 118.70 120.32 1qjo s GLU 38 Ca 0.30 -0.98 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1qjo s GLU 38 Cb 0.05 -0.72 0.00 0.00 -1.78 0.00 0.00 34.13 31.68 1qjo s GLU 38 CO 0.12 0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.45 1qjo n GLY 39 N 1.14 5.51 3.55 -1.39 0.00 -1.25 -0.09 105.19 112.66 1qjo n GLY 39 Ca -0.20 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 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 0.72 4.55 -1.67 1.61 2.15 -1.26 -3.19 116.67 119.57 1qjo s ASP 40 Ca 0.00 0.43 -0.18 0.00 0.43 0.00 0.00 52.55 53.23 1qjo s ASP 40 Cb 0.00 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 1qjo s ASP 40 CO 0.00 -3.03 0.76 0.29 -0.17 0.00 0.00 175.17 173.03 1qjo n LYS 41 N 8.98 -3.09 -3.13 4.34 4.01 -1.26 -4.90 118.16 123.11 1qjo n LYS 41 Ca 0.36 0.37 -0.20 0.00 -0.51 0.00 0.00 58.31 58.33 1qjo n LYS 41 Cb 0.50 -5.10 -0.04 0.00 -0.51 0.00 0.00 35.03 29.89 1qjo n LYS 41 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qjo n ALA 42 N -4.30 1.77 -1.63 7.82 0.00 -1.19 -5.13 120.51 117.85 1qjo n ALA 42 Ca 0.08 -3.12 -0.48 0.00 0.00 0.00 0.00 53.44 49.91 1qjo n ALA 42 Cb 0.49 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1qjo n ALA 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qjo n SER 43 N 0.95 2.29 -4.20 0.00 2.88 -1.26 -3.87 113.62 110.41 1qjo n SER 43 Ca 0.21 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1qjo n SER 43 Cb 0.60 -1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 62.64 1qjo n SER 43 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1qjo s MET 44 N 0.37 1.15 0.13 -1.46 -1.94 0.09 -4.99 119.30 112.65 1qjo s MET 44 Ca 0.78 -1.59 0.07 0.00 -1.71 0.00 0.00 55.69 53.24 1qjo s MET 44 Cb -0.79 0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.17 1qjo s MET 44 CO 0.45 -0.33 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.88 1qjo s GLU 45 N -4.10 2.32 -0.16 2.03 2.02 -1.26 -0.17 118.70 119.37 1qjo s GLU 45 Ca 0.34 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.31 1qjo s GLU 45 Cb 0.07 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.95 1qjo s GLU 45 CO 0.09 0.49 -0.16 0.08 0.02 0.00 0.00 175.26 175.78 1qjo s VAL 46 N -1.45 1.78 0.82 2.63 1.01 0.51 -4.90 120.40 120.79 1qjo s VAL 46 Ca 0.25 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1qjo s VAL 46 Cb -0.10 -1.65 0.14 0.00 0.00 0.00 0.00 36.38 34.77 1qjo s VAL 46 CO 0.17 0.47 1.14 -2.16 0.00 0.00 0.00 175.10 174.72 1qjo s PRO 47 N 1.40 1.37 -0.46 2.72 0.04 -1.26 0.32 135.00 139.13 1qjo s PRO 47 Ca 0.04 -0.60 -0.28 0.00 0.04 0.00 0.00 61.00 60.21 1qjo s PRO 47 Cb -0.13 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1qjo s PRO 47 CO -0.11 -1.81 1.40 0.00 0.04 0.00 0.00 177.00 176.52 1qjo s ALA 48 N -3.49 2.96 0.53 8.56 0.00 0.12 -4.45 121.76 126.00 1qjo s ALA 48 Ca 0.68 -0.34 0.35 0.00 0.00 0.00 0.00 51.96 52.65 1qjo s ALA 48 Cb -0.06 -3.99 1.51 0.00 0.00 0.00 0.00 23.12 20.58 1qjo s ALA 48 CO 0.48 -2.58 1.82 -1.00 0.00 0.00 0.00 175.76 174.48 1qjo h PRO 49 N 10.80 0.03 -3.51 0.00 0.13 -1.91 -3.31 132.00 134.23 1qjo h PRO 49 Ca -0.27 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1qjo h PRO 49 Cb 1.10 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1qjo h PRO 49 CO 1.12 0.02 0.06 -0.59 -0.23 0.00 0.00 178.00 178.38 1qjo s PHE 50 N -4.99 0.54 0.24 1.56 -0.71 -1.26 -4.90 117.98 108.46 1qjo s PHE 50 Ca -0.05 -1.01 -0.08 0.00 -1.04 0.00 0.00 56.93 54.75 1qjo s PHE 50 Cb 0.23 0.42 -0.07 0.00 -1.21 0.00 0.00 43.02 42.39 1qjo s PHE 50 CO 0.80 -1.36 0.54 0.00 -1.34 0.00 0.00 175.22 173.86 1qjo s ALA 51 N -2.69 3.59 0.00 1.99 0.00 -1.26 -3.40 121.76 119.99 1qjo s ALA 51 Ca 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1qjo s ALA 51 Cb -0.03 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1qjo s ALA 51 CO 0.15 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1qjo n GLY 52 N -0.35 -1.97 3.46 0.00 0.00 0.16 -4.78 105.19 101.70 1qjo n GLY 52 Ca -0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 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 2.66 -1.24 1.61 -7.23 0.20 0.31 120.40 114.39 1qjo s VAL 53 Ca 0.00 -1.67 -0.20 0.00 -1.81 0.00 0.00 61.98 58.30 1qjo s VAL 53 Cb 0.00 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1qjo s VAL 53 CO 0.00 0.04 1.84 -0.69 -0.31 0.00 0.00 175.10 175.98 1qjo s VAL 54 N -1.26 3.82 0.13 1.32 1.01 -0.25 -2.45 120.40 122.72 1qjo s VAL 54 Ca 0.18 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1qjo s VAL 54 Cb -0.10 -4.88 -0.03 0.00 0.00 0.00 0.00 36.38 31.37 1qjo s VAL 54 CO 0.10 -1.49 1.51 0.50 0.00 0.00 0.00 175.10 175.71 1qjo h LYS 55 N 8.69 0.86 -2.23 2.72 3.11 -1.74 0.35 116.57 128.33 1qjo h LYS 55 Ca 0.33 -0.39 0.17 0.00 -2.81 0.00 0.00 60.65 57.95 1qjo h LYS 55 Cb 0.91 -0.02 -0.11 0.00 -1.00 0.00 0.00 32.23 32.01 1qjo h LYS 55 CO 1.34 1.03 0.52 -2.00 -2.81 0.00 0.00 179.45 177.53 1qjo s GLU 56 N -4.60 0.98 -0.00 1.90 2.12 -0.97 -4.73 118.70 113.40 1qjo s GLU 56 Ca -0.12 -0.49 -0.28 0.00 0.36 0.00 0.00 54.97 54.44 1qjo s GLU 56 Cb 0.11 0.37 0.10 0.00 0.26 0.00 0.00 34.13 34.97 1qjo s GLU 56 CO 0.85 -0.44 0.87 -0.48 -0.54 0.00 0.00 175.26 175.51 1qjo s LEU 57 N -2.77 -0.39 -0.36 2.70 2.34 -1.26 0.28 118.68 119.22 1qjo s LEU 57 Ca 0.10 0.03 0.13 0.00 0.06 0.00 0.00 54.13 54.45 1qjo s LEU 57 Cb -0.01 2.07 0.45 0.00 -0.56 0.00 0.00 46.19 48.14 1qjo s LEU 57 CO -0.02 -0.64 1.02 0.29 -1.06 0.00 0.00 176.35 175.95 1qjo n LYS 58 N -0.19 2.07 -4.20 1.48 5.02 -1.23 -4.99 118.16 116.12 1qjo n LYS 58 Ca -0.10 -3.74 -0.14 0.00 -2.02 0.00 0.00 58.31 52.31 1qjo n LYS 58 Cb 0.62 -1.65 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 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 -4.06 1.03 0.42 -0.18 0.11 -1.26 -5.05 120.40 111.40 1qjo s VAL 59 Ca 0.35 -1.80 0.04 0.00 -2.93 0.00 0.00 61.98 57.64 1qjo s VAL 59 Cb 0.43 -1.55 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1qjo s VAL 59 CO -0.05 -0.63 0.13 0.20 -3.33 0.00 0.00 175.10 171.43 1qjo s ASN 60 N -2.71 2.84 -0.40 3.54 0.01 -1.26 -5.07 114.94 111.90 1qjo s ASN 60 Ca 0.10 -1.69 -0.21 0.00 -0.71 0.00 0.00 52.86 50.34 1qjo s ASN 60 Cb -0.01 0.53 0.01 0.00 0.41 0.00 0.00 41.25 42.20 1qjo s ASN 60 CO 0.00 -0.95 0.68 -0.69 -1.51 0.00 0.00 177.10 174.64 1qjo s VAL 61 N -3.19 4.81 0.00 1.60 1.01 -1.26 -2.70 120.40 120.66 1qjo s VAL 61 Ca 0.23 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1qjo s VAL 61 Cb 0.02 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1qjo s VAL 61 CO 0.15 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1qjo n GLY 62 N 4.81 1.04 3.69 4.51 0.00 0.23 -4.94 105.19 114.54 1qjo n GLY 62 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.48 3.32 -0.05 1.61 1.01 -1.10 -4.23 116.67 116.77 1qjo s ASP 63 Ca 0.00 2.16 -0.02 0.00 0.71 0.00 0.00 52.55 55.41 1qjo s ASP 63 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1qjo s ASP 63 CO 0.00 -2.84 0.06 -1.59 0.21 0.00 0.00 175.17 171.01 1qjo s LYS 64 N -4.59 3.08 0.21 8.23 0.00 -1.26 -0.57 119.74 124.85 1qjo s LYS 64 Ca 0.67 -0.42 0.09 0.00 0.00 0.00 0.00 55.97 56.32 1qjo s LYS 64 Cb -0.23 -2.87 -0.05 0.00 0.00 0.00 0.00 37.83 34.68 1qjo s LYS 64 CO 0.56 0.68 -0.18 0.14 0.00 0.00 0.00 175.35 176.55 1qjo s VAL 65 N -1.07 2.02 -0.09 1.79 -7.23 0.92 -4.97 120.40 111.78 1qjo s VAL 65 Ca 0.18 -2.17 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 1qjo s VAL 65 Cb -0.12 -2.07 0.04 0.00 0.56 0.00 0.00 36.38 34.80 1qjo s VAL 65 CO 0.09 -0.42 0.45 -1.59 -0.31 0.00 0.00 175.10 173.31 1qjo s LYS 66 N -3.29 0.69 -0.23 4.82 -2.85 -1.26 -2.65 119.74 114.98 1qjo s LYS 66 Ca 0.23 0.26 -0.40 0.00 -1.00 0.00 0.00 55.97 55.05 1qjo s LYS 66 Cb -0.04 0.32 -0.16 0.00 -2.06 0.00 0.00 37.83 35.89 1qjo s LYS 66 CO 0.09 -0.16 1.67 -2.37 0.10 0.00 0.00 175.35 174.69 1qjo n THR 67 N 1.87 0.25 0.00 3.79 5.66 -1.20 -1.10 114.28 123.55 1qjo n THR 67 Ca -0.18 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1qjo n THR 67 Cb 0.56 -1.14 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 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 3.91 1.56 3.67 1.09 0.00 0.65 -4.94 105.19 111.13 1qjo n GLY 68 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1qjo n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qjo s SER 69 N -1.78 7.08 -0.92 1.61 0.15 -0.26 -4.61 113.70 114.97 1qjo s SER 69 Ca 0.00 1.53 -0.16 0.00 0.70 0.00 0.00 55.95 58.02 1qjo s SER 69 Cb 0.00 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.67 1qjo s SER 69 CO 0.00 -0.65 2.05 0.18 1.20 0.00 0.00 173.24 176.03 1qjo n LEU 70 N 6.06 4.83 -0.15 3.45 4.77 -1.26 -0.62 117.00 134.08 1qjo n LEU 70 Ca 0.12 -3.08 -0.07 0.00 -0.03 0.00 0.00 56.01 52.95 1qjo n LEU 70 Cb 0.46 -1.18 0.02 0.00 -2.33 0.00 0.00 43.42 40.39 1qjo n LEU 70 CO 0.53 0.19 1.04 0.16 -1.33 0.00 0.00 177.39 177.99 1qjo h ILE 71 N 4.05 1.05 -4.07 -0.08 3.07 -1.63 -3.47 117.51 116.43 1qjo h ILE 71 Ca 0.48 -0.19 -0.24 0.00 1.55 0.00 0.00 64.86 66.46 1qjo h ILE 71 Cb 0.49 0.46 -0.15 0.00 -0.27 0.00 0.00 36.82 37.35 1qjo h ILE 71 CO 1.79 0.10 -0.65 0.00 -1.05 0.00 0.00 178.15 178.34 1qjo s MET 72 N -6.15 1.04 -0.19 0.16 0.23 -1.20 -3.47 119.30 109.73 1qjo s MET 72 Ca -0.13 -1.50 -0.04 0.00 -1.03 0.00 0.00 55.69 52.99 1qjo s MET 72 Cb 0.12 -0.03 -0.02 0.00 -1.53 0.00 0.00 34.83 33.37 1qjo s MET 72 CO 0.73 -0.20 -0.03 0.42 -2.03 0.00 0.00 175.02 173.91 1qjo s ILE 73 N -3.84 3.70 0.13 3.16 1.01 0.14 0.74 121.20 126.24 1qjo s ILE 73 Ca 0.25 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.59 1qjo s ILE 73 Cb 0.07 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1qjo s ILE 73 CO 0.03 0.45 -0.20 -0.36 0.00 0.00 0.00 174.94 174.86 1qjo s PHE 74 N 0.93 2.48 0.22 3.97 0.40 0.18 -2.07 117.98 124.09 1qjo s PHE 74 Ca 0.00 -0.29 0.09 0.00 -0.60 0.00 0.00 56.93 56.13 1qjo s PHE 74 Cb -0.15 -1.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.02 1qjo s PHE 74 CO 0.01 0.39 -0.15 -2.00 0.70 0.00 0.00 175.22 174.17 1qjo s GLU 75 N -2.17 1.40 -0.93 0.44 2.12 -1.02 0.25 118.70 118.78 1qjo s GLU 75 Ca 0.17 -1.63 -0.01 0.00 0.36 0.00 0.00 54.97 53.87 1qjo s GLU 75 Cb -0.10 -1.25 0.30 0.00 0.26 0.00 0.00 34.13 33.34 1qjo s GLU 75 CO 0.09 0.21 1.33 1.33 -0.54 0.00 0.00 175.26 177.69 1qjo n VAL 76 N -0.43 4.63 0.00 3.70 0.24 -1.26 0.60 118.33 125.81 1qjo n VAL 76 Ca -0.07 -5.76 0.00 0.00 -2.04 0.00 0.00 64.34 56.46 1qjo n VAL 76 Cb 0.60 -1.95 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 0.87 0.00 -2.79 7.34 -0.58 -1.26 -4.42 120.64 119.80 1qjo n GLU 77 Ca 0.31 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.07 1qjo n GLU 77 Cb 0.34 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.22 1qjo n GLU 77 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1qjo s GLY 78 N 0.00 -1.47 -0.96 0.62 0.00 -1.26 -5.08 107.32 99.17 1qjo s GLY 78 Ca 0.00 1.51 -0.02 0.00 0.00 0.00 0.00 44.72 46.21 1qjo s GLY 78 CO 0.00 4.34 2.09 0.00 0.00 0.00 0.00 173.10 179.53 1qjo n ALA 79 N 3.83 6.38 0.00 3.20 0.00 -1.26 -5.24 120.51 127.42 1qjo n ALA 79 Ca 0.06 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1qjo n ALA 79 Cb 0.63 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50