#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 1.76 -4.19 2.03 0.24 -1.26 -4.42 118.33 112.49 1qjo n VAL 2 Ca 0.00 -0.44 -0.19 0.00 -2.04 0.00 0.00 64.34 61.67 1qjo n VAL 2 Cb 0.00 -1.19 -0.12 0.00 -1.47 0.00 0.00 33.84 31.06 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 -1.39 0.86 0.34 7.34 1.02 0.19 -5.00 119.74 123.11 1qjo s LYS 3 Ca 0.60 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.61 1qjo s LYS 3 Cb -0.67 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 1qjo s LYS 3 CO 0.59 0.20 0.53 -1.21 -0.92 0.00 0.00 175.35 174.53 1qjo s GLU 4 N -1.83 3.47 -0.23 1.68 2.02 -1.26 0.53 118.70 123.07 1qjo s GLU 4 Ca -0.00 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.60 1qjo s GLU 4 Cb -0.10 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.48 1qjo s GLU 4 CO 0.02 0.17 -0.12 0.08 0.02 0.00 0.00 175.26 175.44 1qjo s VAL 5 N -2.28 2.38 0.48 2.63 1.01 0.42 -4.69 120.40 120.35 1qjo s VAL 5 Ca 0.39 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1qjo s VAL 5 Cb -0.10 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1qjo s VAL 5 CO 0.35 0.21 0.47 0.54 0.00 0.00 0.00 175.10 176.68 1qjo s ASN 6 N 1.23 5.01 -0.14 3.32 4.22 -1.26 0.90 114.94 128.22 1qjo s ASN 6 Ca -0.02 -0.86 -0.15 0.00 -2.14 0.00 0.00 52.86 49.70 1qjo s ASN 6 Cb -0.17 -0.18 -0.05 0.00 1.28 0.00 0.00 41.25 42.14 1qjo s ASN 6 CO -0.07 -0.90 0.33 -0.69 -2.04 0.00 0.00 177.10 173.73 1qjo s VAL 7 N -2.57 5.27 0.89 3.54 1.01 -0.59 -4.72 120.40 123.22 1qjo s VAL 7 Ca 0.48 0.64 -0.15 0.00 0.00 0.00 0.00 61.98 62.95 1qjo s VAL 7 Cb -0.04 -3.67 0.23 0.00 0.00 0.00 0.00 36.38 32.90 1qjo s VAL 7 CO 0.29 0.40 0.62 -0.81 0.00 0.00 0.00 175.10 175.59 1qjo n PRO 8 N 3.43 -3.27 0.00 2.72 -0.04 -1.26 -1.62 135.00 134.95 1qjo n PRO 8 Ca -0.11 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1qjo n PRO 8 Cb 0.52 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -4.58 0.00 -3.72 3.54 5.68 -1.26 -3.58 116.55 112.63 1qjo n ASP 9 Ca 0.09 -0.84 -0.42 0.00 -0.50 0.00 0.00 54.79 53.12 1qjo n ASP 9 Cb 0.39 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1qjo n ASP 9 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1qjo n ILE 10 N 1.84 3.61 -0.64 2.12 -5.35 -1.26 -4.95 119.36 114.73 1qjo n ILE 10 Ca 0.00 -3.13 -0.31 0.00 -0.27 0.00 0.00 62.75 59.03 1qjo n ILE 10 Cb 0.00 -2.58 0.19 0.00 -1.74 0.00 0.00 39.64 35.51 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 3.92 -2.31 0.00 3.28 0.00 -1.26 -4.36 105.19 104.46 1qjo n GLY 11 Ca 0.52 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.72 2.79 2.67 -0.02 0.00 -1.26 -4.92 105.19 106.17 1qjo n GLY 12 Ca 0.02 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 4.80 -2.09 1.61 9.92 -1.26 -4.61 116.55 124.91 1qjo n ASP 13 Ca 0.00 -2.75 -0.03 0.00 -0.53 0.00 0.00 54.79 51.48 1qjo n ASP 13 Cb 0.00 -1.57 -0.03 0.00 -0.64 0.00 0.00 41.12 38.89 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 5.60 -2.64 -3.68 -1.24 1.02 -1.26 -4.97 120.64 113.47 1qjo n GLU 14 Ca 0.57 2.20 -0.36 0.00 -0.02 0.00 0.00 57.16 59.54 1qjo n GLU 14 Cb 0.35 -3.28 -0.06 0.00 -0.02 0.00 0.00 31.44 28.43 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 -0.37 5.24 0.34 2.62 -7.23 -1.08 -4.67 120.40 115.25 1qjo s VAL 15 Ca -0.16 0.45 0.09 0.00 -1.81 0.00 0.00 61.98 60.56 1qjo s VAL 15 Cb 0.01 -3.58 -0.06 0.00 0.56 0.00 0.00 36.38 33.31 1qjo s VAL 15 CO 0.43 0.51 -0.05 -1.83 -0.31 0.00 0.00 175.10 173.84 1qjo s GLU 16 N -1.33 1.93 -0.16 4.82 -1.05 -1.08 -0.17 118.70 121.67 1qjo s GLU 16 Ca 0.23 -1.84 -0.26 0.00 -0.15 0.00 0.00 54.97 52.95 1qjo s GLU 16 Cb -0.14 -1.81 -0.01 0.00 -0.44 0.00 0.00 34.13 31.72 1qjo s GLU 16 CO 0.12 0.15 0.86 0.08 0.95 0.00 0.00 175.26 177.42 1qjo s VAL 17 N -2.56 4.86 -0.24 1.83 1.01 0.33 -0.54 120.40 125.09 1qjo s VAL 17 Ca 0.33 1.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.96 1qjo s VAL 17 Cb 0.01 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 1qjo s VAL 17 CO 0.18 0.02 -0.27 1.07 0.00 0.00 0.00 175.10 176.10 1qjo n THR 18 N 4.71 1.33 -4.04 3.92 5.66 0.69 0.14 114.28 126.69 1qjo n THR 18 Ca 0.05 -0.41 -0.25 0.00 -3.05 0.00 0.00 64.05 60.39 1qjo n THR 18 Cb 0.49 -1.61 -0.17 0.00 -1.55 0.00 0.00 70.33 67.48 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 -2.45 1.32 -1.02 1.09 2.02 -0.92 -4.82 118.70 113.92 1qjo s GLU 19 Ca -0.33 -0.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 1qjo s GLU 19 Cb 0.11 -1.36 0.30 0.00 0.10 0.00 0.00 34.13 33.28 1qjo s GLU 19 CO 0.47 -0.19 1.34 1.55 0.02 0.00 0.00 175.26 178.45 1qjo n VAL 20 N 4.65 4.83 -0.29 2.63 3.14 -1.26 -0.34 118.33 131.69 1qjo n VAL 20 Ca -0.15 -5.79 -0.07 0.00 -2.96 0.00 0.00 64.34 55.37 1qjo n VAL 20 Cb 0.50 -2.12 -0.06 0.00 -1.06 0.00 0.00 33.84 31.10 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 1.37 -0.30 -3.94 1.45 0.00 -0.95 -4.54 117.12 110.22 1qjo n MET 21 Ca 0.26 1.06 -0.30 0.00 0.00 0.00 0.00 57.70 58.73 1qjo n MET 21 Cb 0.35 -1.57 -0.04 0.00 0.00 0.00 0.00 33.22 31.96 1qjo n MET 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1qjo s VAL 22 N -5.38 5.28 0.31 2.03 1.01 -1.13 -5.08 120.40 117.44 1qjo s VAL 22 Ca -0.09 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1qjo s VAL 22 Cb 0.08 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1qjo s VAL 22 CO 0.44 0.08 0.23 -1.59 0.00 0.00 0.00 175.10 174.26 1qjo s LYS 23 N -2.68 1.67 -0.94 2.72 0.00 -1.26 -5.00 119.74 114.24 1qjo s LYS 23 Ca 0.34 -1.96 -0.26 0.00 0.00 0.00 0.00 55.97 54.09 1qjo s LYS 23 Cb -0.12 0.18 -0.22 0.00 0.00 0.00 0.00 37.83 37.66 1qjo s LYS 23 CO 0.27 -0.57 2.57 0.28 0.00 0.00 0.00 175.35 177.90 1qjo n VAL 24 N -0.59 -0.01 0.00 1.79 0.31 -1.26 -0.48 118.33 118.09 1qjo n VAL 24 Ca 0.05 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1qjo n VAL 24 Cb 0.63 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 6.28 1.20 3.60 2.92 0.00 0.14 -4.99 105.19 114.35 1qjo n GLY 25 Ca 0.63 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.00 4.69 -0.31 1.61 2.15 0.37 -4.84 116.67 118.35 1qjo s ASP 26 Ca 0.00 -0.07 -0.28 0.00 0.43 0.00 0.00 52.55 52.63 1qjo s ASP 26 Cb 0.00 -1.15 -0.06 0.00 -0.30 0.00 0.00 42.92 41.41 1qjo s ASP 26 CO 0.00 0.32 2.28 2.29 -0.17 0.00 0.00 175.17 179.90 1qjo n LYS 27 N 1.86 1.65 -3.97 4.34 -0.00 -1.26 -0.99 118.16 119.78 1qjo n LYS 27 Ca -0.17 0.37 -0.34 0.00 -0.00 0.00 0.00 58.31 58.17 1qjo n LYS 27 Cb 0.53 -3.25 -0.15 0.00 -0.00 0.00 0.00 35.03 32.16 1qjo n LYS 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1qjo s VAL 28 N 9.42 2.89 0.05 0.58 1.01 0.90 -4.96 120.40 130.28 1qjo s VAL 28 Ca 1.01 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1qjo s VAL 28 Cb -0.32 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1qjo s VAL 28 CO 0.33 0.37 -0.11 0.00 0.00 0.00 0.00 175.10 175.69 1qjo s ALA 29 N 1.38 0.84 0.31 5.51 0.00 -1.26 0.89 121.76 129.43 1qjo s ALA 29 Ca 0.04 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 1qjo s ALA 29 Cb -0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 23.12 22.81 1qjo s ALA 29 CO -0.06 0.07 1.02 0.00 0.00 0.00 0.00 175.76 176.80 1qjo n ALA 30 N 1.48 -0.08 0.00 0.00 0.00 -1.22 -0.97 120.51 119.72 1qjo n ALA 30 Ca -0.21 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1qjo n ALA 30 Cb 0.55 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 0.65 0.00 -3.21 0.00 -0.58 -1.26 -4.94 120.64 111.30 1qjo n GLU 31 Ca 0.09 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.44 1qjo n GLU 31 Cb 0.33 -0.27 -0.06 0.00 -0.57 0.00 0.00 31.44 30.87 1qjo n GLU 31 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1qjo s GLN 32 N -0.60 4.28 0.03 3.49 0.74 -0.14 -4.88 119.66 122.57 1qjo s GLN 32 Ca 0.00 0.82 -0.30 0.00 0.05 0.00 0.00 55.36 55.93 1qjo s GLN 32 Cb 0.00 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.83 1qjo s GLN 32 CO 0.00 0.61 1.24 -1.12 -0.55 0.00 0.00 175.29 175.47 1qjo s SER 33 N -1.15 7.03 -0.13 6.67 0.01 -1.26 -0.58 113.70 124.28 1qjo s SER 33 Ca 0.31 2.00 -0.11 0.00 1.31 0.00 0.00 55.95 59.46 1qjo s SER 33 Cb -0.20 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 1qjo s SER 33 CO 0.21 -0.54 -0.22 0.18 0.41 0.00 0.00 173.24 173.28 1qjo n LEU 34 N 4.42 1.51 -3.99 2.44 4.77 0.13 -4.54 117.00 121.74 1qjo n LEU 34 Ca 0.10 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.36 1qjo n LEU 34 Cb 0.46 -0.74 -0.12 0.00 -2.33 0.00 0.00 43.42 40.68 1qjo n LEU 34 CO 0.56 -0.39 -0.38 0.27 -1.33 0.00 0.00 177.39 176.11 1qjo s ILE 35 N -2.28 0.32 -0.31 -0.08 -4.36 -0.95 -2.23 121.20 111.31 1qjo s ILE 35 Ca -0.18 -0.74 -0.11 0.00 -0.26 0.00 0.00 60.65 59.36 1qjo s ILE 35 Cb 0.02 -0.38 -0.02 0.00 1.25 0.00 0.00 42.46 43.33 1qjo s ILE 35 CO 0.27 -0.28 0.19 -0.89 0.24 0.00 0.00 174.94 174.47 1qjo s THR 36 N -1.00 5.00 0.28 8.37 2.01 0.54 -0.93 115.64 129.90 1qjo s THR 36 Ca -0.08 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 61.82 1qjo s THR 36 Cb -0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1qjo s THR 36 CO -0.00 0.10 0.00 0.68 -0.69 0.00 0.00 174.62 174.71 1qjo s VAL 37 N 1.69 3.35 0.00 3.82 -7.23 0.11 -0.22 120.40 121.91 1qjo s VAL 37 Ca 0.06 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 1qjo s VAL 37 Cb -0.17 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1qjo s VAL 37 CO 0.09 -0.35 0.00 1.21 -0.31 0.00 0.00 175.10 175.73 1qjo n GLU 38 N -0.91 1.90 0.00 4.82 2.13 0.30 0.35 120.64 129.23 1qjo n GLU 38 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1qjo n GLU 38 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 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 3.23 3.48 3.97 8.31 0.00 -1.26 -2.64 105.19 120.28 1qjo n GLY 39 Ca 0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1qjo n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qjo s ASP 40 N 0.00 3.52 0.00 1.61 1.11 -1.26 -4.89 116.67 116.76 1qjo s ASP 40 Ca 0.00 -0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.55 1qjo s ASP 40 Cb 0.00 0.06 0.00 0.00 1.07 0.00 0.00 42.92 44.05 1qjo s ASP 40 CO 0.00 -2.43 0.51 0.29 1.18 0.00 0.00 175.17 174.71 1qjo n LYS 41 N -3.37 0.00 -3.68 8.23 4.76 -1.26 -4.57 118.16 118.28 1qjo n LYS 41 Ca 0.17 0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.61 1qjo n LYS 41 Cb 0.60 -1.75 -0.04 0.00 -1.84 0.00 0.00 35.03 32.00 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 -2.01 -0.93 0.15 7.82 0.00 -1.26 -5.15 121.76 120.37 1qjo s ALA 42 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.57 1qjo s ALA 42 Cb 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 23.12 23.82 1qjo s ALA 42 CO 0.00 -0.72 0.82 0.45 0.00 0.00 0.00 175.76 176.31 1qjo s SER 43 N -2.84 7.42 0.22 0.00 0.15 -1.26 -4.44 113.70 112.94 1qjo s SER 43 Ca 0.06 1.68 0.11 0.00 0.70 0.00 0.00 55.95 58.50 1qjo s SER 43 Cb 0.01 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1qjo s SER 43 CO -0.08 0.15 -0.20 -0.32 1.20 0.00 0.00 173.24 173.99 1qjo s MET 44 N -0.88 1.67 0.24 5.44 0.00 0.16 -4.96 119.30 120.97 1qjo s MET 44 Ca 0.38 -1.55 0.09 0.00 0.00 0.00 0.00 55.69 54.60 1qjo s MET 44 Cb -0.23 -1.88 -0.04 0.00 0.00 0.00 0.00 34.83 32.68 1qjo s MET 44 CO 0.27 0.38 0.02 -1.21 0.00 0.00 0.00 175.02 174.48 1qjo s GLU 45 N -2.96 2.39 -0.11 4.11 2.02 -1.26 0.04 118.70 122.93 1qjo s GLU 45 Ca 0.24 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 53.95 1qjo s GLU 45 Cb -0.07 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.92 1qjo s GLU 45 CO 0.12 0.39 -0.11 0.08 0.02 0.00 0.00 175.26 175.77 1qjo s VAL 46 N -2.13 1.18 0.88 2.63 1.01 -0.11 -4.93 120.40 118.93 1qjo s VAL 46 Ca 0.30 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1qjo s VAL 46 Cb -0.07 -1.14 0.19 0.00 0.00 0.00 0.00 36.38 35.36 1qjo s VAL 46 CO 0.20 0.39 1.20 -0.81 0.00 0.00 0.00 175.10 176.08 1qjo n PRO 47 N 4.56 -0.86 -1.86 2.72 -0.04 -1.26 0.20 135.00 138.46 1qjo n PRO 47 Ca -0.16 -2.28 -0.38 0.00 -0.04 0.00 0.00 63.50 60.63 1qjo n PRO 47 Cb 0.51 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 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 -3.68 2.06 0.37 0.55 0.00 0.25 -4.54 121.76 116.77 1qjo s ALA 48 Ca 0.72 -0.29 0.27 0.00 0.00 0.00 0.00 51.96 52.66 1qjo s ALA 48 Cb -0.03 -4.29 1.25 0.00 0.00 0.00 0.00 23.12 20.06 1qjo s ALA 48 CO 0.49 -3.95 1.31 -0.35 0.00 0.00 0.00 175.76 173.27 1qjo n PRO 49 N 9.04 -0.03 -3.27 0.00 -0.04 -1.26 -3.80 135.00 135.64 1qjo n PRO 49 Ca 0.26 1.05 -0.09 0.00 -0.04 0.00 0.00 63.50 64.68 1qjo n PRO 49 Cb 0.52 -2.07 -0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1qjo n PRO 49 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1qjo n PHE 50 N -4.36 -1.63 -3.15 0.54 -1.74 -1.26 -4.93 117.46 100.93 1qjo n PHE 50 Ca 0.34 -1.62 -0.18 0.00 -0.56 0.00 0.00 57.45 55.43 1qjo n PHE 50 Cb 1.32 0.57 0.00 0.00 1.52 0.00 0.00 39.48 42.89 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 -2.17 4.44 0.00 1.98 0.00 -1.26 -3.38 121.76 121.37 1qjo s ALA 51 Ca 0.17 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1qjo s ALA 51 Cb -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1qjo s ALA 51 CO 0.13 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1qjo n GLY 52 N -1.78 0.62 3.18 0.00 0.00 0.26 -4.58 105.19 102.89 1qjo n GLY 52 Ca 0.06 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.59 1.22 -0.81 1.61 1.01 0.16 -0.07 120.40 119.92 1qjo s VAL 53 Ca 0.00 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 60.51 1qjo s VAL 53 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1qjo s VAL 53 CO 0.00 -0.10 1.97 -0.69 0.00 0.00 0.00 175.10 176.28 1qjo s VAL 54 N -1.08 3.39 -0.02 2.92 1.01 -0.17 -1.87 120.40 124.59 1qjo s VAL 54 Ca 0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 1qjo s VAL 54 Cb -0.09 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 1qjo s VAL 54 CO 0.02 -0.86 0.85 0.50 0.00 0.00 0.00 175.10 175.61 1qjo h LYS 55 N 12.48 -0.60 -2.96 2.72 3.64 -1.44 0.40 116.57 130.82 1qjo h LYS 55 Ca -0.00 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1qjo h LYS 55 Cb 1.05 0.14 -0.23 0.00 -0.41 0.00 0.00 32.23 32.78 1qjo h LYS 55 CO 1.20 -0.34 -0.30 -2.00 -2.27 0.00 0.00 179.45 175.73 1qjo s GLU 56 N -3.86 0.51 0.12 1.90 2.12 -0.24 -4.54 118.70 114.71 1qjo s GLU 56 Ca -0.11 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.47 1qjo s GLU 56 Cb 0.01 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 1qjo s GLU 56 CO 0.35 -0.10 -0.12 -0.48 -0.54 0.00 0.00 175.26 174.36 1qjo s LEU 57 N -0.43 2.41 -0.24 2.70 2.34 -1.26 -0.06 118.68 124.13 1qjo s LEU 57 Ca -0.06 -0.82 0.15 0.00 0.06 0.00 0.00 54.13 53.46 1qjo s LEU 57 Cb -0.04 -0.46 0.47 0.00 -0.56 0.00 0.00 46.19 45.61 1qjo s LEU 57 CO 0.02 -0.19 1.17 0.29 -1.06 0.00 0.00 176.35 176.57 1qjo n LYS 58 N 0.50 2.35 -4.36 1.48 5.02 -1.26 -5.00 118.16 116.91 1qjo n LYS 58 Ca -0.15 -3.61 -0.19 0.00 -2.02 0.00 0.00 58.31 52.34 1qjo n LYS 58 Cb 0.57 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 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 -3.68 1.56 0.43 -0.18 0.11 -1.26 -5.08 120.40 112.30 1qjo s VAL 59 Ca 0.40 -2.15 0.04 0.00 -2.93 0.00 0.00 61.98 57.34 1qjo s VAL 59 Cb 0.37 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 1qjo s VAL 59 CO -0.02 -0.50 0.03 0.20 -3.33 0.00 0.00 175.10 171.48 1qjo s ASN 60 N -3.33 3.55 -0.54 3.54 0.01 -1.26 -5.06 114.94 111.84 1qjo s ASN 60 Ca 0.24 -1.51 -0.17 0.00 -0.71 0.00 0.00 52.86 50.72 1qjo s ASN 60 Cb 0.02 0.10 0.12 0.00 0.41 0.00 0.00 41.25 41.89 1qjo s ASN 60 CO 0.08 -0.68 0.53 -0.69 -1.51 0.00 0.00 177.10 174.82 1qjo s VAL 61 N -2.94 5.14 0.00 1.60 1.01 -1.26 -2.62 120.40 121.33 1qjo s VAL 61 Ca 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1qjo s VAL 61 Cb 0.06 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1qjo s VAL 61 CO 0.12 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 174.95 1qjo n GLY 62 N 5.25 1.86 3.76 4.51 0.00 0.38 -4.91 105.19 116.03 1qjo n GLY 62 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.91 5.29 0.08 1.61 -1.08 -1.08 -4.81 116.67 114.77 1qjo s ASP 63 Ca 0.00 -0.22 -0.19 0.00 -0.52 0.00 0.00 52.55 51.61 1qjo s ASP 63 Cb 0.00 -1.31 -0.07 0.00 -1.46 0.00 0.00 42.92 40.08 1qjo s ASP 63 CO 0.00 0.06 0.57 -0.54 0.52 0.00 0.00 175.17 175.79 1qjo s LYS 64 N -3.13 4.20 0.17 4.34 -0.14 -1.26 -0.51 119.74 123.40 1qjo s LYS 64 Ca 0.30 0.74 -0.04 0.00 -1.36 0.00 0.00 55.97 55.61 1qjo s LYS 64 Cb -0.10 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.80 1qjo s LYS 64 CO 0.22 0.63 0.18 0.14 -0.76 0.00 0.00 175.35 175.76 1qjo s VAL 65 N -1.12 0.06 -0.07 3.17 -7.23 0.76 -4.96 120.40 111.00 1qjo s VAL 65 Ca 0.29 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 1qjo s VAL 65 Cb -0.19 -2.10 0.10 0.00 0.56 0.00 0.00 36.38 34.75 1qjo s VAL 65 CO 0.19 -0.27 0.88 -0.75 -0.31 0.00 0.00 175.10 174.83 1qjo s LYS 66 N -4.05 0.80 -0.03 4.82 2.20 -1.26 -2.62 119.74 119.60 1qjo s LYS 66 Ca 0.25 0.00 -0.38 0.00 -0.36 0.00 0.00 55.97 55.49 1qjo s LYS 66 Cb 0.05 0.37 -0.16 0.00 -1.51 0.00 0.00 37.83 36.58 1qjo s LYS 66 CO 0.04 -0.29 1.45 -2.37 -0.36 0.00 0.00 175.35 173.83 1qjo n THR 67 N 0.42 0.09 0.00 3.43 5.66 -1.23 -2.25 114.28 120.39 1qjo n THR 67 Ca -0.12 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1qjo n THR 67 Cb 0.59 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 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 3.00 3.08 3.68 1.09 0.00 -0.64 -4.91 105.19 110.49 1qjo n GLY 68 Ca 0.21 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 0.23 1.93 -3.60 1.61 2.88 -0.96 -4.48 113.62 111.25 1qjo n SER 69 Ca 0.00 0.96 -0.41 0.00 -1.33 0.00 0.00 58.87 58.09 1qjo n SER 69 Cb 0.00 -1.48 -0.00 0.00 -0.75 0.00 0.00 64.21 61.97 1qjo n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qjo n LEU 70 N -0.54 7.63 0.00 2.46 -0.00 -1.26 -1.55 117.00 123.75 1qjo n LEU 70 Ca 0.11 -4.70 0.00 0.00 -0.00 0.00 0.00 56.01 51.42 1qjo n LEU 70 Cb 0.44 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.41 1qjo n LEU 70 CO 0.54 1.79 0.00 -0.38 -0.00 0.00 0.00 177.39 179.33 1qjo n ILE 71 N 2.69 0.00 -3.76 1.47 5.41 0.26 -4.64 119.36 120.79 1qjo n ILE 71 Ca 0.57 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 64.30 1qjo n ILE 71 Cb 0.29 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.23 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 -3.40 0.44 -4.40 0.38 0.00 -1.18 -3.99 117.12 104.97 1qjo n MET 72 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 57.70 56.36 1qjo n MET 72 Cb 0.00 1.37 -0.14 0.00 0.00 0.00 0.00 33.22 34.45 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 -2.21 3.06 0.21 3.17 -4.36 0.91 0.16 121.20 122.13 1qjo s ILE 73 Ca 0.16 -0.63 0.09 0.00 -0.26 0.00 0.00 60.65 60.00 1qjo s ILE 73 Cb -0.02 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 1qjo s ILE 73 CO 0.04 0.49 -0.04 -0.36 0.24 0.00 0.00 174.94 175.31 1qjo s PHE 74 N 0.84 2.72 -0.01 1.37 0.08 0.19 -1.08 117.98 122.08 1qjo s PHE 74 Ca -0.03 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.86 1qjo s PHE 74 Cb -0.15 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 1qjo s PHE 74 CO 0.00 0.55 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.55 1qjo s GLU 75 N -3.13 1.02 -0.10 0.44 2.56 -0.78 0.56 118.70 119.28 1qjo s GLU 75 Ca 0.28 -0.44 0.03 0.00 0.00 0.00 0.00 54.97 54.84 1qjo s GLU 75 Cb -0.08 -0.98 0.24 0.00 2.00 0.00 0.00 34.13 35.31 1qjo s GLU 75 CO 0.18 0.26 1.02 1.33 -0.56 0.00 0.00 175.26 177.48 1qjo n VAL 76 N 2.82 1.13 0.00 3.70 0.24 -1.26 0.37 118.33 125.33 1qjo n VAL 76 Ca -0.14 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1qjo n VAL 76 Cb 0.56 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.13 0.00 -2.75 7.34 -0.58 -1.26 -1.25 120.64 122.27 1qjo n GLU 77 Ca 0.12 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.76 1qjo n GLU 77 Cb 0.65 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.56 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 1.75 3.48 0.62 0.00 -1.26 -5.06 105.19 104.72 1qjo n GLY 78 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.08 0.32 -0.46 4.61 0.00 -0.38 -5.12 120.51 119.40 1qjo n ALA 79 Ca 0.09 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1qjo n ALA 79 Cb 0.80 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50