#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 -4.45 2.03 0.24 -1.26 -4.94 118.33 109.94 1qjo n VAL 2 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1qjo n VAL 2 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 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 1.66 0.06 7.34 -0.14 0.15 -4.99 119.74 123.81 1qjo s LYS 3 Ca 0.00 -1.71 -0.07 0.00 -1.36 0.00 0.00 55.97 52.83 1qjo s LYS 3 Cb 0.00 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.30 1qjo s LYS 3 CO 0.00 0.35 0.33 -1.83 -0.76 0.00 0.00 175.35 173.43 1qjo s GLU 4 N -3.33 3.64 -0.49 1.68 1.03 -1.26 -0.21 118.70 119.76 1qjo s GLU 4 Ca 0.28 -0.01 0.04 0.00 0.03 0.00 0.00 54.97 55.31 1qjo s GLU 4 Cb -0.06 -3.01 0.13 0.00 -0.80 0.00 0.00 34.13 30.39 1qjo s GLU 4 CO 0.14 0.59 0.23 0.08 -1.33 0.00 0.00 175.26 174.97 1qjo s VAL 5 N -1.40 2.36 0.56 1.83 1.01 0.31 -4.62 120.40 120.46 1qjo s VAL 5 Ca 0.32 -3.09 0.09 0.00 0.00 0.00 0.00 61.98 59.29 1qjo s VAL 5 Cb -0.13 -2.66 0.09 0.00 0.00 0.00 0.00 36.38 33.68 1qjo s VAL 5 CO 0.19 -0.79 0.71 -0.46 0.00 0.00 0.00 175.10 174.75 1qjo n ASN 6 N 3.30 2.19 -4.66 3.32 0.23 -1.26 -1.15 115.26 117.24 1qjo n ASN 6 Ca 0.05 -2.57 -0.35 0.00 -0.53 0.00 0.00 54.58 51.18 1qjo n ASN 6 Cb 0.33 -0.34 -0.09 0.00 -2.08 0.00 0.00 39.78 37.60 1qjo n ASN 6 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1qjo s VAL 7 N -2.56 4.68 0.00 3.53 1.01 -0.98 -4.60 120.40 121.48 1qjo s VAL 7 Ca 0.54 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1qjo s VAL 7 Cb -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1qjo s VAL 7 CO 0.34 0.52 0.01 -0.81 0.00 0.00 0.00 175.10 175.16 1qjo n PRO 8 N 3.01 0.13 -1.16 2.72 -0.04 -1.26 0.01 135.00 138.41 1qjo n PRO 8 Ca -0.18 -0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 62.90 1qjo n PRO 8 Cb 0.53 -0.01 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 -3.00 3.72 -2.40 3.54 5.75 -1.26 -4.05 116.55 118.85 1qjo n ASP 9 Ca 0.00 -2.61 -0.16 0.00 -0.01 0.00 0.00 54.79 52.01 1qjo n ASP 9 Cb 0.00 -1.23 -0.11 0.00 -1.03 0.00 0.00 41.12 38.75 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 5.26 2.78 0.00 2.12 -0.00 -1.26 -4.78 119.36 123.47 1qjo n ILE 10 Ca 0.51 -1.48 0.00 0.00 -0.00 0.00 0.00 62.75 61.77 1qjo n ILE 10 Cb 0.32 -2.05 0.00 0.00 -0.00 0.00 0.00 39.64 37.91 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 2.87 0.36 3.75 3.28 0.00 -1.26 -4.87 105.19 109.32 1qjo n GLY 11 Ca 0.44 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 1qjo n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qjo s GLY 12 N 0.00 3.06 0.00 -0.02 0.00 -1.26 -5.11 107.32 103.99 1qjo s GLY 12 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1qjo s GLY 12 CO 0.00 -2.16 0.00 1.34 0.00 0.00 0.00 173.10 172.28 1qjo n ASP 13 N -1.34 0.00 -4.30 1.64 -0.08 -1.26 -4.65 116.55 106.56 1qjo n ASP 13 Ca -0.19 0.25 -0.34 0.00 -1.51 0.00 0.00 54.79 53.00 1qjo n ASP 13 Cb 0.67 -0.36 -0.15 0.00 2.34 0.00 0.00 41.12 43.62 1qjo n ASP 13 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1qjo s GLU 14 N -0.73 3.31 0.08 -0.67 2.12 -1.26 -4.38 118.70 117.17 1qjo s GLU 14 Ca 0.00 -0.69 -0.11 0.00 0.36 0.00 0.00 54.97 54.53 1qjo s GLU 14 Cb 0.00 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 31.65 1qjo s GLU 14 CO 0.00 -0.00 0.25 0.14 -0.54 0.00 0.00 175.26 175.11 1qjo s VAL 15 N 0.90 0.12 0.41 3.70 -7.23 -1.17 -4.84 120.40 112.30 1qjo s VAL 15 Ca -0.03 -0.95 0.07 0.00 -1.81 0.00 0.00 61.98 59.26 1qjo s VAL 15 Cb -0.15 -1.19 -0.08 0.00 0.56 0.00 0.00 36.38 35.53 1qjo s VAL 15 CO -0.00 -0.52 0.02 -1.83 -0.31 0.00 0.00 175.10 172.45 1qjo s GLU 16 N -3.48 1.98 -0.08 4.82 -1.05 -0.96 -1.41 118.70 118.52 1qjo s GLU 16 Ca 0.02 -2.11 -0.21 0.00 -0.15 0.00 0.00 54.97 52.52 1qjo s GLU 16 Cb 0.03 -1.65 -0.04 0.00 -0.44 0.00 0.00 34.13 32.02 1qjo s GLU 16 CO -0.09 -0.07 0.60 0.08 0.95 0.00 0.00 175.26 176.73 1qjo s VAL 17 N -2.71 5.09 -0.15 1.83 1.01 0.22 -0.39 120.40 125.30 1qjo s VAL 17 Ca 0.34 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.51 1qjo s VAL 17 Cb 0.09 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1qjo s VAL 17 CO 0.18 0.30 -0.16 1.07 0.00 0.00 0.00 175.10 176.48 1qjo n THR 18 N 3.63 0.84 -3.84 3.92 5.66 0.12 0.14 114.28 124.74 1qjo n THR 18 Ca -0.04 -0.27 -0.28 0.00 -3.05 0.00 0.00 64.05 60.41 1qjo n THR 18 Cb 0.51 -1.35 -0.16 0.00 -1.55 0.00 0.00 70.33 67.78 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 -2.29 1.17 -1.26 1.09 0.41 -1.07 -4.83 118.70 111.93 1qjo s GLU 19 Ca -0.21 -0.55 -0.09 0.00 -0.41 0.00 0.00 54.97 53.72 1qjo s GLU 19 Cb 0.07 -2.10 0.18 0.00 -1.78 0.00 0.00 34.13 30.50 1qjo s GLU 19 CO 0.30 -0.53 1.83 1.55 -0.49 0.00 0.00 175.26 177.92 1qjo n VAL 20 N 4.91 4.45 -0.24 2.63 3.14 -1.26 -0.39 118.33 131.56 1qjo n VAL 20 Ca -0.11 -4.56 -0.06 0.00 -2.96 0.00 0.00 64.34 56.65 1qjo n VAL 20 Cb 0.47 -2.33 -0.06 0.00 -1.06 0.00 0.00 33.84 30.86 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 3.64 -0.25 -4.01 1.45 0.00 -1.15 -4.64 117.12 112.17 1qjo n MET 21 Ca 0.38 0.91 -0.30 0.00 0.00 0.00 0.00 57.70 58.69 1qjo n MET 21 Cb 0.36 -1.34 -0.06 0.00 0.00 0.00 0.00 33.22 32.19 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 -5.11 4.79 0.40 2.03 1.01 -0.96 -5.05 120.40 117.51 1qjo s VAL 22 Ca -0.07 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1qjo s VAL 22 Cb 0.06 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1qjo s VAL 22 CO 0.35 0.12 0.13 0.29 0.00 0.00 0.00 175.10 175.99 1qjo n LYS 23 N 0.37 0.62 -1.60 2.72 4.01 -1.26 -5.00 118.16 118.02 1qjo n LYS 23 Ca -0.07 -3.32 -0.50 0.00 -0.51 0.00 0.00 58.31 53.90 1qjo n LYS 23 Cb 0.52 1.71 -0.06 0.00 -0.51 0.00 0.00 35.03 36.69 1qjo n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1qjo n VAL 24 N -0.91 0.38 0.00 -0.18 0.31 -1.26 -1.57 118.33 115.10 1qjo n VAL 24 Ca -0.07 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1qjo n VAL 24 Cb 0.59 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 5.27 1.14 3.38 2.92 0.00 -0.34 -5.00 105.19 112.56 1qjo n GLY 25 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 3.96 -0.57 1.61 1.01 -0.61 -4.89 116.67 115.19 1qjo s ASP 26 Ca 0.00 -0.32 -0.26 0.00 0.71 0.00 0.00 52.55 52.68 1qjo s ASP 26 Cb 0.00 -1.46 -0.28 0.00 1.01 0.00 0.00 42.92 42.20 1qjo s ASP 26 CO 0.00 0.20 1.81 0.29 0.21 0.00 0.00 175.17 177.67 1qjo n LYS 27 N 3.30 0.05 -2.82 8.23 4.01 -1.26 -1.16 118.16 128.50 1qjo n LYS 27 Ca -0.18 -1.29 -0.32 0.00 -0.51 0.00 0.00 58.31 56.00 1qjo n LYS 27 Cb 0.53 -3.15 -0.05 0.00 -0.51 0.00 0.00 35.03 31.84 1qjo n LYS 27 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1qjo s VAL 28 N 12.11 4.56 0.03 -0.18 1.01 0.22 -4.92 120.40 133.23 1qjo s VAL 28 Ca 0.70 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 63.66 1qjo s VAL 28 Cb 0.03 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1qjo s VAL 28 CO 0.24 -0.39 0.39 0.00 0.00 0.00 0.00 175.10 175.33 1qjo s ALA 29 N -2.25 -0.95 1.01 5.51 0.00 -1.26 -0.01 121.76 123.81 1qjo s ALA 29 Ca 0.58 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 1qjo s ALA 29 Cb -0.10 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.33 1qjo s ALA 29 CO 0.21 -0.40 0.18 0.00 0.00 0.00 0.00 175.76 175.75 1qjo n ALA 30 N 0.71 -3.32 0.00 0.00 0.00 -1.22 -2.16 120.51 114.52 1qjo n ALA 30 Ca -0.19 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1qjo n ALA 30 Cb 0.59 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.57 0.00 -2.72 0.00 1.02 -1.26 -4.81 120.64 111.30 1qjo n GLU 31 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1qjo n GLU 31 Cb 0.57 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 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 3.26 -0.51 3.49 0.74 -0.92 -4.80 119.66 120.92 1qjo s GLN 32 Ca 0.00 -0.78 -0.21 0.00 0.05 0.00 0.00 55.36 54.43 1qjo s GLN 32 Cb 0.00 -4.44 -0.13 0.00 1.10 0.00 0.00 33.01 29.55 1qjo s GLN 32 CO 0.00 -1.98 1.50 0.43 -0.55 0.00 0.00 175.29 174.70 1qjo n SER 33 N 8.30 0.25 0.03 6.67 7.64 -1.26 -2.89 113.62 132.36 1qjo n SER 33 Ca 0.06 0.19 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 1qjo n SER 33 Cb 0.48 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 1qjo n SER 33 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1qjo h LEU 34 N 6.60 -0.11 -7.87 -3.43 3.38 0.51 -3.41 115.31 110.97 1qjo h LEU 34 Ca -0.04 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 1qjo h LEU 34 Cb 0.80 0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.38 1qjo h LEU 34 CO 0.77 0.41 -0.56 0.27 0.09 0.00 0.00 178.44 179.42 1qjo s ILE 35 N -3.91 0.11 -0.19 1.22 -4.36 -0.86 -2.26 121.20 110.95 1qjo s ILE 35 Ca -0.15 -0.90 -0.07 0.00 -0.26 0.00 0.00 60.65 59.27 1qjo s ILE 35 Cb 0.01 -0.56 -0.04 0.00 1.25 0.00 0.00 42.46 43.12 1qjo s ILE 35 CO 0.59 -0.50 0.04 -0.89 0.24 0.00 0.00 174.94 174.42 1qjo s THR 36 N -1.85 4.51 0.19 8.37 2.01 0.48 -0.48 115.64 128.86 1qjo s THR 36 Ca -0.11 -0.13 0.11 0.00 0.31 0.00 0.00 61.69 61.87 1qjo s THR 36 Cb -0.06 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1qjo s THR 36 CO -0.01 0.44 -0.24 0.68 -0.69 0.00 0.00 174.62 174.80 1qjo s VAL 37 N 0.62 2.30 0.39 3.82 -7.23 0.11 -0.70 120.40 119.70 1qjo s VAL 37 Ca 0.02 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1qjo s VAL 37 Cb -0.13 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1qjo s VAL 37 CO 0.02 -0.13 0.05 -0.70 -0.31 0.00 0.00 175.10 174.03 1qjo s GLU 38 N -2.66 1.87 0.24 4.82 2.12 0.48 -0.18 118.70 125.39 1qjo s GLU 38 Ca 0.20 -2.09 0.00 0.00 0.36 0.00 0.00 54.97 53.44 1qjo s GLU 38 Cb -0.08 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.18 1qjo s GLU 38 CO 0.09 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1qjo n GLY 39 N -0.89 -1.71 0.00 -1.50 0.00 -1.25 -2.27 105.19 97.57 1qjo n GLY 39 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.00 0.00 -0.00 1.61 5.75 -1.26 -5.00 116.55 114.65 1qjo n ASP 40 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1qjo n ASP 40 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -0.81 3.22 -4.21 0.11 4.76 -1.26 -5.07 118.16 114.89 1qjo n LYS 41 Ca 0.00 -0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.19 1qjo n LYS 41 Cb 0.00 -1.01 -0.08 0.00 -1.84 0.00 0.00 35.03 32.10 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 3.42 0.21 7.82 0.00 -1.26 -5.15 121.76 124.79 1qjo s ALA 42 Ca -0.00 -2.02 0.08 0.00 0.00 0.00 0.00 51.96 50.02 1qjo s ALA 42 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1qjo s ALA 42 CO 0.02 -0.05 -0.01 0.45 0.00 0.00 0.00 175.76 176.17 1qjo s SER 43 N -3.82 4.66 0.10 0.00 0.15 -1.26 -3.84 113.70 109.69 1qjo s SER 43 Ca 0.38 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1qjo s SER 43 Cb 0.02 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.35 1qjo s SER 43 CO 0.21 0.06 -0.08 -0.32 1.20 0.00 0.00 173.24 174.32 1qjo s MET 44 N -3.18 0.85 0.17 5.44 1.75 0.75 -5.01 119.30 120.07 1qjo s MET 44 Ca 0.28 -1.28 0.09 0.00 -1.25 0.00 0.00 55.69 53.53 1qjo s MET 44 Cb -0.08 -0.32 -0.04 0.00 2.84 0.00 0.00 34.83 37.23 1qjo s MET 44 CO 0.19 0.01 -0.13 -1.21 -0.65 0.00 0.00 175.02 173.23 1qjo s GLU 45 N -3.51 1.95 -0.31 4.11 2.02 -1.26 0.06 118.70 121.76 1qjo s GLU 45 Ca 0.10 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 53.83 1qjo s GLU 45 Cb 0.03 -2.11 0.09 0.00 0.10 0.00 0.00 34.13 32.23 1qjo s GLU 45 CO -0.03 0.44 0.03 0.08 0.02 0.00 0.00 175.26 175.80 1qjo s VAL 46 N -1.61 1.80 0.82 2.63 1.01 0.37 -4.85 120.40 120.56 1qjo s VAL 46 Ca 0.23 -1.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.23 1qjo s VAL 46 Cb -0.09 -2.25 0.08 0.00 0.00 0.00 0.00 36.38 34.12 1qjo s VAL 46 CO 0.14 -0.48 1.16 -2.16 0.00 0.00 0.00 175.10 173.76 1qjo s PRO 47 N 1.18 1.90 -0.09 2.72 0.04 -1.26 0.11 135.00 139.59 1qjo s PRO 47 Ca 0.06 0.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.00 1qjo s PRO 47 Cb -0.19 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1qjo s PRO 47 CO -0.12 -1.65 2.03 0.00 0.04 0.00 0.00 177.00 177.30 1qjo s ALA 48 N -3.50 3.20 0.59 8.56 0.00 -1.14 -4.51 121.76 124.96 1qjo s ALA 48 Ca 0.62 1.01 0.31 0.00 0.00 0.00 0.00 51.96 53.90 1qjo s ALA 48 Cb -0.12 -3.94 1.34 0.00 0.00 0.00 0.00 23.12 20.40 1qjo s ALA 48 CO 0.50 -2.11 1.67 -1.00 0.00 0.00 0.00 175.76 174.82 1qjo h PRO 49 N 12.41 0.00 0.00 0.00 0.13 -1.91 -3.36 132.00 139.27 1qjo h PRO 49 Ca -0.44 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 1qjo h PRO 49 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1qjo h PRO 49 CO 0.96 0.00 0.31 1.97 -0.23 0.00 0.00 178.00 181.00 1qjo n PHE 50 N -3.66 -0.66 -3.05 1.56 -1.74 -1.26 -4.93 117.46 103.71 1qjo n PHE 50 Ca 0.19 -0.46 -0.20 0.00 -0.56 0.00 0.00 57.45 56.42 1qjo n PHE 50 Cb 1.14 0.22 0.01 0.00 1.52 0.00 0.00 39.48 42.37 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 -1.44 4.08 0.00 1.98 0.00 -1.26 -3.46 121.76 121.65 1qjo s ALA 51 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1qjo s ALA 51 Cb -0.01 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1qjo s ALA 51 CO 0.01 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1qjo n GLY 52 N -1.97 0.77 3.74 0.00 0.00 0.99 -4.59 105.19 104.14 1qjo n GLY 52 Ca 0.04 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.22 4.35 -0.51 1.61 1.01 -0.88 0.69 120.40 125.45 1qjo s VAL 53 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1qjo s VAL 53 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1qjo s VAL 53 CO 0.00 0.13 1.96 -0.69 0.00 0.00 0.00 175.10 176.50 1qjo s VAL 54 N -1.35 3.31 -0.08 2.92 1.01 -0.31 -0.11 120.40 125.78 1qjo s VAL 54 Ca 0.28 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 1qjo s VAL 54 Cb -0.12 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1qjo s VAL 54 CO 0.20 -0.60 -0.03 0.50 0.00 0.00 0.00 175.10 175.18 1qjo h LYS 55 N 15.36 0.00 -3.33 2.72 3.11 -1.17 -0.89 116.57 132.37 1qjo h LYS 55 Ca -0.28 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.44 1qjo h LYS 55 Cb 1.19 0.00 -0.19 0.00 -1.00 0.00 0.00 32.23 32.22 1qjo h LYS 55 CO 1.16 0.00 -0.38 -2.00 -2.81 0.00 0.00 179.45 175.42 1qjo s GLU 56 N -1.51 0.62 -0.06 1.90 2.12 -1.10 -4.69 118.70 115.98 1qjo s GLU 56 Ca -0.03 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 1qjo s GLU 56 Cb 0.00 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.68 1qjo s GLU 56 CO 0.04 -0.17 0.14 -0.48 -0.54 0.00 0.00 175.26 174.25 1qjo s LEU 57 N -1.55 1.18 -0.44 2.70 2.34 -1.26 -0.64 118.68 121.00 1qjo s LEU 57 Ca -0.12 0.28 0.04 0.00 0.06 0.00 0.00 54.13 54.39 1qjo s LEU 57 Cb -0.05 0.41 0.44 0.00 -0.56 0.00 0.00 46.19 46.43 1qjo s LEU 57 CO 0.01 -0.09 1.41 0.29 -1.06 0.00 0.00 176.35 176.91 1qjo n LYS 58 N 3.51 3.33 -4.49 1.48 5.02 -1.22 -5.02 118.16 120.77 1qjo n LYS 58 Ca -0.18 -4.01 -0.24 0.00 -2.02 0.00 0.00 58.31 51.85 1qjo n LYS 58 Cb 0.56 -2.27 -0.10 0.00 -0.02 0.00 0.00 35.03 33.19 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 -4.88 2.40 0.29 -0.18 0.11 -1.26 -5.06 120.40 111.82 1qjo s VAL 59 Ca 0.53 -2.35 0.02 0.00 -2.93 0.00 0.00 61.98 57.25 1qjo s VAL 59 Cb 0.43 -2.39 -0.05 0.00 -1.53 0.00 0.00 36.38 32.84 1qjo s VAL 59 CO -0.05 -0.35 0.09 0.20 -3.33 0.00 0.00 175.10 171.66 1qjo s ASN 60 N -3.53 1.59 -0.56 3.54 0.01 -1.26 -5.08 114.94 109.64 1qjo s ASN 60 Ca 0.31 -1.41 -0.18 0.00 -0.71 0.00 0.00 52.86 50.86 1qjo s ASN 60 Cb -0.03 0.14 0.10 0.00 0.41 0.00 0.00 41.25 41.87 1qjo s ASN 60 CO 0.15 -0.72 0.63 -0.69 -1.51 0.00 0.00 177.10 174.96 1qjo s VAL 61 N -3.60 4.93 0.00 1.60 1.01 -1.26 -2.48 120.40 120.60 1qjo s VAL 61 Ca 0.37 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1qjo s VAL 61 Cb 0.08 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1qjo s VAL 61 CO 0.15 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1qjo n GLY 62 N 5.26 1.76 3.79 4.51 0.00 0.36 -4.91 105.19 115.96 1qjo n GLY 62 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 4.42 -0.17 1.61 -1.08 -1.04 -4.83 116.67 113.59 1qjo s ASP 63 Ca 0.00 -1.24 -0.08 0.00 -0.52 0.00 0.00 52.55 50.71 1qjo s ASP 63 Cb 0.00 -0.03 -0.04 0.00 -1.46 0.00 0.00 42.92 41.39 1qjo s ASP 63 CO 0.00 -0.76 0.11 -0.54 0.52 0.00 0.00 175.17 174.49 1qjo s LYS 64 N -4.01 3.93 0.23 4.34 -0.14 -1.26 -0.61 119.74 122.22 1qjo s LYS 64 Ca 0.32 -0.25 0.04 0.00 -1.36 0.00 0.00 55.97 54.72 1qjo s LYS 64 Cb 0.02 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 1qjo s LYS 64 CO 0.18 0.40 -0.01 0.54 -0.76 0.00 0.00 175.35 175.70 1qjo s VAL 65 N 0.03 1.11 0.00 3.17 0.11 -0.50 -4.97 120.40 119.35 1qjo s VAL 65 Ca 0.08 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.09 1qjo s VAL 65 Cb -0.12 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1qjo s VAL 65 CO -0.00 -0.34 0.00 2.29 -3.33 0.00 0.00 175.10 173.72 1qjo n LYS 66 N -0.43 0.00 -0.72 1.54 2.85 -1.26 -3.01 118.16 117.13 1qjo n LYS 66 Ca -0.05 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.92 1qjo n LYS 66 Cb 0.64 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.95 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 -0.61 0.00 0.00 0.58 -2.24 -1.26 -1.88 114.28 108.87 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 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 3.84 3.13 2.64 3.38 0.00 0.10 -4.91 105.19 113.37 1qjo n GLY 68 Ca 0.32 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 0.22 -0.90 -3.68 1.61 2.88 -0.79 -4.19 113.62 108.77 1qjo n SER 69 Ca 0.00 0.88 -0.41 0.00 -1.33 0.00 0.00 58.87 58.00 1qjo n SER 69 Cb 0.00 -0.73 0.01 0.00 -0.75 0.00 0.00 64.21 62.73 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 1.52 7.34 -0.39 2.46 4.77 -1.26 -2.33 117.00 129.11 1qjo n LEU 70 Ca 0.14 -5.05 -0.09 0.00 -0.03 0.00 0.00 56.01 50.98 1qjo n LEU 70 Cb 0.18 -1.31 -0.08 0.00 -2.33 0.00 0.00 43.42 39.89 1qjo n LEU 70 CO 0.44 1.88 0.50 0.40 -1.33 0.00 0.00 177.39 179.27 1qjo h ILE 71 N 2.83 0.00 -2.41 -0.08 1.08 -1.46 -3.47 117.51 114.00 1qjo h ILE 71 Ca 0.52 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.95 1qjo h ILE 71 Cb 0.42 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 1qjo h ILE 71 CO 1.40 0.00 0.04 1.15 -0.69 0.00 0.00 178.15 180.04 1qjo n MET 72 N -5.30 0.29 -4.31 2.37 0.00 -0.93 -3.44 117.12 105.80 1qjo n MET 72 Ca 0.03 -0.73 -0.33 0.00 0.00 0.00 0.00 57.70 56.67 1qjo n MET 72 Cb 0.29 0.82 -0.16 0.00 0.00 0.00 0.00 33.22 34.17 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 -2.67 2.18 0.21 3.17 -4.36 0.18 0.11 121.20 120.02 1qjo s ILE 73 Ca 0.06 -0.91 0.03 0.00 -0.26 0.00 0.00 60.65 59.56 1qjo s ILE 73 Cb -0.01 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.76 1qjo s ILE 73 CO 0.05 0.53 0.35 -0.36 0.24 0.00 0.00 174.94 175.75 1qjo s PHE 74 N 1.11 3.47 -0.31 1.37 0.08 0.70 -0.61 117.98 123.81 1qjo s PHE 74 Ca 0.00 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1qjo s PHE 74 Cb -0.14 -1.69 0.14 0.00 -0.57 0.00 0.00 43.02 40.76 1qjo s PHE 74 CO -0.08 0.43 0.32 -2.00 -0.10 0.00 0.00 175.22 173.79 1qjo s GLU 75 N -3.59 0.39 0.00 0.44 2.12 0.84 0.29 118.70 119.19 1qjo s GLU 75 Ca 0.36 -0.27 -0.26 0.00 0.36 0.00 0.00 54.97 55.15 1qjo s GLU 75 Cb -0.10 -0.65 -0.32 0.00 0.26 0.00 0.00 34.13 33.31 1qjo s GLU 75 CO 0.29 -1.06 1.46 1.33 -0.54 0.00 0.00 175.26 176.74 1qjo n VAL 76 N 5.11 0.00 0.00 3.70 0.24 -1.26 -2.07 118.33 124.04 1qjo n VAL 76 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1qjo n VAL 76 Cb 0.46 -1.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 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 7.44 0.00 0.00 7.34 1.02 -1.26 -2.06 120.64 133.11 1qjo n GLU 77 Ca 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1qjo n GLU 77 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 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 0.00 0.00 0.62 0.00 -1.26 -5.10 105.19 99.45 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 0.00 0.00 0.00 4.61 0.00 -0.88 -5.06 120.51 119.18 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 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1qjo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50