#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 1.04 -4.21 2.03 3.14 -1.26 -2.28 118.33 116.79 1qjo n VAL 2 Ca 0.00 -0.26 -0.12 0.00 -2.96 0.00 0.00 64.34 61.00 1qjo n VAL 2 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1qjo n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1qjo s LYS 3 N -0.52 1.21 -0.00 1.45 -0.14 0.11 -4.80 119.74 117.03 1qjo s LYS 3 Ca 0.51 -1.63 -0.02 0.00 -1.36 0.00 0.00 55.97 53.47 1qjo s LYS 3 Cb -0.73 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 35.57 1qjo s LYS 3 CO 0.40 -0.37 0.15 -1.21 -0.76 0.00 0.00 175.35 173.56 1qjo s GLU 4 N -4.13 3.29 -0.33 1.68 8.01 -1.26 0.14 118.70 126.10 1qjo s GLU 4 Ca 0.38 -0.39 0.04 0.00 0.01 0.00 0.00 54.97 55.00 1qjo s GLU 4 Cb 0.07 -3.00 0.10 0.00 -4.31 0.00 0.00 34.13 26.98 1qjo s GLU 4 CO 0.11 0.66 0.03 0.08 0.01 0.00 0.00 175.26 176.16 1qjo s VAL 5 N -1.29 2.21 0.37 2.63 1.01 0.27 -4.75 120.40 120.85 1qjo s VAL 5 Ca 0.26 -2.22 0.08 0.00 0.00 0.00 0.00 61.98 60.09 1qjo s VAL 5 Cb -0.12 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1qjo s VAL 5 CO 0.17 -0.53 0.27 0.54 0.00 0.00 0.00 175.10 175.55 1qjo s ASN 6 N 0.95 4.98 0.04 3.32 4.22 -1.26 0.61 114.94 127.80 1qjo s ASN 6 Ca 0.09 -0.69 -0.16 0.00 -2.14 0.00 0.00 52.86 49.96 1qjo s ASN 6 Cb -0.19 -0.75 -0.06 0.00 1.28 0.00 0.00 41.25 41.53 1qjo s ASN 6 CO -0.08 -0.44 0.47 -0.69 -2.04 0.00 0.00 177.10 174.31 1qjo s VAL 7 N -2.41 4.93 1.04 3.54 1.01 -0.98 -4.84 120.40 122.70 1qjo s VAL 7 Ca 0.42 0.93 -0.17 0.00 0.00 0.00 0.00 61.98 63.16 1qjo s VAL 7 Cb -0.03 -3.76 0.23 0.00 0.00 0.00 0.00 36.38 32.81 1qjo s VAL 7 CO 0.26 0.53 1.24 -2.16 0.00 0.00 0.00 175.10 174.96 1qjo s PRO 8 N -1.20 0.03 -0.86 2.72 0.04 -1.26 -0.37 135.00 134.09 1qjo s PRO 8 Ca 0.27 -0.24 -0.06 0.00 0.04 0.00 0.00 61.00 61.00 1qjo s PRO 8 Cb -0.17 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1qjo s PRO 8 CO 0.16 -2.85 2.04 -0.40 0.04 0.00 0.00 177.00 175.99 1qjo n ASP 9 N -4.11 4.56 -1.49 6.66 5.68 -1.26 -3.67 116.55 122.92 1qjo n ASP 9 Ca 0.14 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1qjo n ASP 9 Cb 0.59 -1.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 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 4.34 1.86 0.00 2.12 -5.35 -1.26 -4.89 119.36 116.18 1qjo n ILE 10 Ca 0.42 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1qjo n ILE 10 Cb 0.14 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 36.59 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 1.46 0.10 0.51 3.28 0.00 -1.26 -4.81 105.19 104.47 1qjo n GLY 11 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.07 0.00 -0.02 0.00 -1.26 -4.80 105.19 99.04 1qjo n GLY 12 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.19 0.00 -3.86 1.61 9.92 -1.26 -4.31 116.55 119.84 1qjo n ASP 13 Ca 0.10 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.23 1qjo n ASP 13 Cb 0.01 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.35 1qjo n ASP 13 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1qjo s GLU 14 N -3.31 0.00 0.04 -1.24 4.04 -1.26 -4.73 118.70 112.24 1qjo s GLU 14 Ca 0.00 0.03 -0.07 0.00 0.04 0.00 0.00 54.97 54.97 1qjo s GLU 14 Cb 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 34.13 34.12 1qjo s GLU 14 CO 0.00 -0.02 0.13 0.14 -1.84 0.00 0.00 175.26 173.67 1qjo s VAL 15 N 0.11 0.13 0.44 1.83 -7.23 -1.00 -4.91 120.40 109.77 1qjo s VAL 15 Ca -0.01 -1.05 0.06 0.00 -1.81 0.00 0.00 61.98 59.18 1qjo s VAL 15 Cb -0.01 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1qjo s VAL 15 CO -0.00 -0.58 0.17 -1.83 -0.31 0.00 0.00 175.10 172.55 1qjo s GLU 16 N -2.69 2.20 -0.23 4.82 -1.05 -0.89 -0.32 118.70 120.54 1qjo s GLU 16 Ca -0.04 -1.95 -0.21 0.00 -0.15 0.00 0.00 54.97 52.62 1qjo s GLU 16 Cb -0.01 -1.91 -0.02 0.00 -0.44 0.00 0.00 34.13 31.75 1qjo s GLU 16 CO -0.05 -0.19 0.64 0.08 0.95 0.00 0.00 175.26 176.69 1qjo s VAL 17 N -2.66 4.99 -0.22 1.83 1.01 0.43 0.17 120.40 125.95 1qjo s VAL 17 Ca 0.36 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1qjo s VAL 17 Cb 0.04 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 1qjo s VAL 17 CO 0.20 0.06 -0.20 1.07 0.00 0.00 0.00 175.10 176.23 1qjo n THR 18 N 4.97 1.29 -3.81 3.92 5.66 0.48 0.12 114.28 126.91 1qjo n THR 18 Ca -0.01 -0.49 -0.20 0.00 -3.05 0.00 0.00 64.05 60.30 1qjo n THR 18 Cb 0.49 -1.30 -0.17 0.00 -1.55 0.00 0.00 70.33 67.80 1qjo n THR 18 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1qjo s GLU 19 N -2.45 0.33 -1.20 1.09 2.12 -0.56 -4.84 118.70 113.20 1qjo s GLU 19 Ca -0.30 0.16 -0.10 0.00 0.36 0.00 0.00 54.97 55.08 1qjo s GLU 19 Cb 0.08 -0.68 0.20 0.00 0.26 0.00 0.00 34.13 33.99 1qjo s GLU 19 CO 0.52 -0.24 1.53 1.55 -0.54 0.00 0.00 175.26 178.08 1qjo n VAL 20 N 4.81 4.47 -0.39 3.70 3.14 -1.26 0.81 118.33 133.60 1qjo n VAL 20 Ca -0.13 -4.88 -0.08 0.00 -2.96 0.00 0.00 64.34 56.29 1qjo n VAL 20 Cb 0.50 -2.40 -0.05 0.00 -1.06 0.00 0.00 33.84 30.82 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 4.09 -0.36 -3.07 1.45 0.00 -1.21 -4.63 117.12 113.39 1qjo n MET 21 Ca 0.34 1.45 -0.30 0.00 0.00 0.00 0.00 57.70 59.20 1qjo n MET 21 Cb 0.39 -2.14 -0.03 0.00 0.00 0.00 0.00 33.22 31.43 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 -5.61 4.88 0.25 2.03 -7.23 -0.91 -5.05 120.40 108.77 1qjo s VAL 22 Ca -0.12 0.39 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1qjo s VAL 22 Cb 0.13 -3.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.29 1qjo s VAL 22 CO 0.62 -0.42 0.09 -1.59 -0.31 0.00 0.00 175.10 173.49 1qjo s LYS 23 N -3.69 1.40 -0.64 4.82 0.00 -1.26 -5.04 119.74 115.32 1qjo s LYS 23 Ca 0.48 -1.75 -0.26 0.00 0.00 0.00 0.00 55.97 54.44 1qjo s LYS 23 Cb -0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 37.83 37.33 1qjo s LYS 23 CO 0.30 -0.28 2.43 0.28 0.00 0.00 0.00 175.35 178.09 1qjo n VAL 24 N -0.45 -0.05 0.00 1.79 0.31 -1.26 -1.13 118.33 117.53 1qjo n VAL 24 Ca -0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1qjo n VAL 24 Cb 0.66 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 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 6.26 1.37 3.74 2.92 0.00 0.03 -4.99 105.19 114.51 1qjo n GLY 25 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 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 5.66 -0.59 1.61 2.15 -0.28 -4.81 116.67 118.41 1qjo s ASP 26 Ca 0.00 0.24 -0.26 0.00 0.43 0.00 0.00 52.55 52.96 1qjo s ASP 26 Cb 0.00 -1.74 -0.10 0.00 -0.30 0.00 0.00 42.92 40.78 1qjo s ASP 26 CO 0.00 0.36 2.45 2.29 -0.17 0.00 0.00 175.17 180.10 1qjo n LYS 27 N 2.29 0.85 -3.45 4.34 -0.00 -1.26 -1.64 118.16 119.29 1qjo n LYS 27 Ca -0.19 -0.10 -0.44 0.00 -0.00 0.00 0.00 58.31 57.59 1qjo n LYS 27 Cb 0.54 -3.21 -0.04 0.00 -0.00 0.00 0.00 35.03 32.32 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 11.97 5.08 0.12 0.58 1.01 0.23 -4.98 120.40 134.41 1qjo s VAL 28 Ca 1.03 -2.69 0.03 0.00 0.00 0.00 0.00 61.98 60.34 1qjo s VAL 28 Cb -0.31 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1qjo s VAL 28 CO 0.27 -1.00 0.21 0.00 0.00 0.00 0.00 175.10 174.59 1qjo s ALA 29 N -0.01 3.83 0.31 5.51 0.00 -1.26 -0.28 121.76 129.86 1qjo s ALA 29 Ca 0.18 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 1qjo s ALA 29 Cb -0.13 -1.65 -0.13 0.00 0.00 0.00 0.00 23.12 21.21 1qjo s ALA 29 CO -0.07 0.62 1.31 0.00 0.00 0.00 0.00 175.76 177.62 1qjo n ALA 30 N -0.19 1.17 0.00 0.00 0.00 -1.22 -1.34 120.51 118.93 1qjo n ALA 30 Ca -0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1qjo n ALA 30 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 1.04 0.00 -2.73 0.00 -0.58 -1.26 -4.96 120.64 112.15 1qjo n GLU 31 Ca 0.07 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 1qjo n GLU 31 Cb 0.34 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.18 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 -0.64 3.46 0.00 3.49 -0.44 -0.45 -4.85 119.66 120.23 1qjo s GLN 32 Ca 0.00 -1.17 0.00 0.00 -2.50 0.00 0.00 55.36 51.69 1qjo s GLN 32 Cb 0.00 -4.87 0.00 0.00 -1.64 0.00 0.00 33.01 26.50 1qjo s GLN 32 CO 0.00 -1.99 0.24 0.43 0.50 0.00 0.00 175.29 174.47 1qjo n SER 33 N 7.97 -0.48 0.00 6.67 7.64 -1.26 -2.38 113.62 131.78 1qjo n SER 33 Ca 0.20 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1qjo n SER 33 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 2.18 0.00 -3.72 -3.43 4.77 0.35 -4.26 117.00 112.88 1qjo n LEU 34 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1qjo n LEU 34 Cb 0.12 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 1qjo n LEU 34 CO 0.12 0.00 -0.20 0.27 -1.33 0.00 0.00 177.39 176.24 1qjo s ILE 35 N -1.31 -0.11 -0.02 -0.08 -4.36 -1.14 -2.14 121.20 112.04 1qjo s ILE 35 Ca 0.00 0.21 -0.30 0.00 -0.26 0.00 0.00 60.65 60.30 1qjo s ILE 35 Cb 0.00 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.38 1qjo s ILE 35 CO 0.00 0.09 1.30 -0.89 0.24 0.00 0.00 174.94 175.67 1qjo s THR 36 N 1.46 3.98 0.27 8.37 2.01 0.24 -2.82 115.64 129.16 1qjo s THR 36 Ca -0.06 1.34 0.10 0.00 0.31 0.00 0.00 61.69 63.37 1qjo s THR 36 Cb -0.11 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1qjo s THR 36 CO -0.07 0.00 -0.05 0.68 -0.69 0.00 0.00 174.62 174.50 1qjo s VAL 37 N 2.25 3.15 0.00 3.82 -7.23 0.15 -0.39 120.40 122.15 1qjo s VAL 37 Ca 0.60 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1qjo s VAL 37 Cb -0.28 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1qjo s VAL 37 CO 0.24 -0.37 0.00 -0.62 -0.31 0.00 0.00 175.10 174.04 1qjo n GLU 38 N -0.83 1.61 0.00 4.82 1.02 0.13 -0.65 120.64 126.74 1qjo n GLU 38 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1qjo n GLU 38 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1qjo n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qjo n GLY 39 N 3.04 1.93 0.00 0.62 0.00 -1.07 -2.10 105.19 107.60 1qjo n GLY 39 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1qjo n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjo n ASP 40 N 0.00 0.00 0.00 1.61 8.00 -1.26 -0.17 116.55 124.73 1qjo n ASP 40 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qjo n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qjo n ASP 40 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qjo n LYS 41 N 0.00 0.00 -3.90 -1.24 4.76 -1.26 -4.95 118.16 111.57 1qjo n LYS 41 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1qjo n LYS 41 Cb 0.00 -3.54 -0.14 0.00 -1.84 0.00 0.00 35.03 29.51 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 -1.91 2.82 -0.22 7.82 0.00 0.76 -5.09 121.76 125.94 1qjo s ALA 42 Ca 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 1qjo s ALA 42 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1qjo s ALA 42 CO 0.00 -0.59 0.09 0.45 0.00 0.00 0.00 175.76 175.71 1qjo s SER 43 N 1.44 5.61 0.12 0.00 0.15 -1.26 -2.59 113.70 117.17 1qjo s SER 43 Ca 0.04 0.00 -0.04 0.00 0.70 0.00 0.00 55.95 56.66 1qjo s SER 43 Cb -0.15 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1qjo s SER 43 CO -0.03 0.08 0.10 -0.32 1.20 0.00 0.00 173.24 174.28 1qjo s MET 44 N 0.92 0.90 0.34 5.44 0.00 0.18 -5.00 119.30 122.07 1qjo s MET 44 Ca 0.05 -1.28 0.10 0.00 0.00 0.00 0.00 55.69 54.55 1qjo s MET 44 Cb -0.14 0.28 -0.06 0.00 0.00 0.00 0.00 34.83 34.91 1qjo s MET 44 CO 0.03 -0.26 -0.09 -1.21 0.00 0.00 0.00 175.02 173.49 1qjo s GLU 45 N -3.98 1.85 -0.08 4.11 8.01 -1.26 0.30 118.70 127.64 1qjo s GLU 45 Ca 0.17 -1.90 0.04 0.00 0.01 0.00 0.00 54.97 53.28 1qjo s GLU 45 Cb 0.06 -1.74 -0.00 0.00 -4.31 0.00 0.00 34.13 28.14 1qjo s GLU 45 CO -0.03 0.15 -0.22 0.14 0.01 0.00 0.00 175.26 175.32 1qjo s VAL 46 N -2.59 1.86 0.58 2.63 -7.23 -1.13 -4.91 120.40 109.61 1qjo s VAL 46 Ca 0.33 -0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1qjo s VAL 46 Cb 0.02 -1.61 0.04 0.00 0.56 0.00 0.00 36.38 35.39 1qjo s VAL 46 CO 0.17 0.52 0.82 -2.16 -0.31 0.00 0.00 175.10 174.13 1qjo s PRO 47 N 0.26 2.47 -0.45 4.82 0.04 -1.26 0.13 135.00 141.01 1qjo s PRO 47 Ca -0.14 -0.71 -0.29 0.00 0.04 0.00 0.00 61.00 59.90 1qjo s PRO 47 Cb -0.16 -2.43 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 1qjo s PRO 47 CO 0.07 -0.81 2.35 0.00 0.04 0.00 0.00 177.00 178.64 1qjo n ALA 48 N -2.45 1.05 -0.54 8.56 0.00 -1.00 -4.38 120.51 121.76 1qjo n ALA 48 Ca 0.08 -0.51 0.43 0.00 0.00 0.00 0.00 53.44 53.45 1qjo n ALA 48 Cb 0.60 -2.90 0.72 0.00 0.00 0.00 0.00 19.45 17.87 1qjo n ALA 48 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qjo h PRO 49 N 16.13 0.02 0.00 0.00 0.13 -1.92 -3.37 132.00 142.99 1qjo h PRO 49 Ca -0.27 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1qjo h PRO 49 Cb 1.28 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1qjo h PRO 49 CO 1.10 0.01 0.10 1.97 -0.23 0.00 0.00 178.00 180.95 1qjo n PHE 50 N -4.47 -1.54 -3.39 1.56 1.16 -1.26 -4.98 117.46 104.54 1qjo n PHE 50 Ca 0.41 -0.96 -0.45 0.00 -1.87 0.00 0.00 57.45 54.58 1qjo n PHE 50 Cb 1.67 0.42 -0.05 0.00 -1.61 0.00 0.00 39.48 39.91 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 -1.65 3.76 0.00 1.98 0.00 -1.25 -3.38 121.76 121.22 1qjo s ALA 51 Ca 0.09 -2.89 0.00 0.00 0.00 0.00 0.00 51.96 49.16 1qjo s ALA 51 Cb -0.02 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1qjo s ALA 51 CO 0.07 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.13 1qjo n GLY 52 N 4.58 3.53 3.53 0.00 0.00 0.61 -4.54 105.19 112.89 1qjo n GLY 52 Ca -0.01 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.33 2.84 0.04 1.61 1.01 -0.42 0.76 120.40 123.92 1qjo s VAL 53 Ca 0.00 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 1qjo s VAL 53 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1qjo s VAL 53 CO 0.00 -0.34 0.99 -0.69 0.00 0.00 0.00 175.10 175.07 1qjo s VAL 54 N -2.29 4.69 -0.10 2.92 1.01 -0.65 -1.92 120.40 124.06 1qjo s VAL 54 Ca 0.29 2.01 -0.11 0.00 0.00 0.00 0.00 61.98 64.17 1qjo s VAL 54 Cb -0.06 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1qjo s VAL 54 CO 0.16 0.20 -0.23 1.17 0.00 0.00 0.00 175.10 176.41 1qjo n LYS 55 N 3.55 0.35 -3.70 2.72 0.00 0.00 -0.79 118.16 120.29 1qjo n LYS 55 Ca 0.05 0.14 -0.12 0.00 0.00 0.00 0.00 58.31 58.38 1qjo n LYS 55 Cb 0.50 -1.11 -0.12 0.00 0.00 0.00 0.00 35.03 34.30 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 -2.55 0.25 0.15 1.64 2.12 0.32 -4.69 118.70 115.93 1qjo s GLU 56 Ca -0.20 0.66 0.08 0.00 0.36 0.00 0.00 54.97 55.87 1qjo s GLU 56 Cb 0.04 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 1qjo s GLU 56 CO 0.29 -0.19 -0.17 -0.48 -0.54 0.00 0.00 175.26 174.17 1qjo s LEU 57 N 1.57 2.41 -0.30 2.70 2.34 -1.26 -0.64 118.68 125.51 1qjo s LEU 57 Ca -0.07 -0.83 0.18 0.00 0.06 0.00 0.00 54.13 53.47 1qjo s LEU 57 Cb -0.10 -0.74 0.48 0.00 -0.56 0.00 0.00 46.19 45.26 1qjo s LEU 57 CO -0.10 -0.06 1.08 0.29 -1.06 0.00 0.00 176.35 176.50 1qjo n LYS 58 N 0.45 2.00 -4.42 1.48 5.02 -1.26 -5.03 118.16 116.40 1qjo n LYS 58 Ca -0.14 -3.62 -0.21 0.00 -2.02 0.00 0.00 58.31 52.31 1qjo n LYS 58 Cb 0.57 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 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 -3.89 1.69 0.39 -0.18 -7.23 -1.26 -5.10 120.40 104.82 1qjo s VAL 59 Ca 0.32 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1qjo s VAL 59 Cb 0.38 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1qjo s VAL 59 CO -0.02 -0.34 0.09 0.20 -0.31 0.00 0.00 175.10 174.72 1qjo s ASN 60 N -3.43 2.82 -0.52 4.85 0.02 -1.26 -5.08 114.94 112.34 1qjo s ASN 60 Ca 0.29 -1.57 -0.19 0.00 -1.02 0.00 0.00 52.86 50.37 1qjo s ASN 60 Cb 0.03 0.31 0.07 0.00 0.02 0.00 0.00 41.25 41.67 1qjo s ASN 60 CO 0.11 -0.81 0.63 -0.69 0.02 0.00 0.00 177.10 176.36 1qjo s VAL 61 N -3.20 4.89 0.00 1.60 1.01 -1.26 -2.62 120.40 120.82 1qjo s VAL 61 Ca 0.26 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1qjo s VAL 61 Cb 0.05 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1qjo s VAL 61 CO 0.14 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1qjo n GLY 62 N 5.19 1.98 3.99 4.51 0.00 0.34 -4.92 105.19 116.28 1qjo n GLY 62 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.98 5.72 -0.20 1.61 -1.08 -1.08 -4.77 116.67 114.90 1qjo s ASP 63 Ca 0.00 -0.21 -0.08 0.00 -0.52 0.00 0.00 52.55 51.74 1qjo s ASP 63 Cb 0.00 -0.97 -0.04 0.00 -1.46 0.00 0.00 42.92 40.44 1qjo s ASP 63 CO 0.00 -0.71 0.09 -0.54 0.52 0.00 0.00 175.17 174.54 1qjo s LYS 64 N -4.38 4.04 -0.02 4.34 -0.14 -1.26 -0.43 119.74 121.88 1qjo s LYS 64 Ca 0.51 -0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.86 1qjo s LYS 64 Cb -0.10 -3.31 -0.01 0.00 -1.68 0.00 0.00 37.83 32.73 1qjo s LYS 64 CO 0.34 0.24 -0.14 0.14 -0.76 0.00 0.00 175.35 175.17 1qjo s VAL 65 N 0.49 1.14 0.02 3.17 -7.23 0.57 -4.97 120.40 113.58 1qjo s VAL 65 Ca 0.05 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.56 1qjo s VAL 65 Cb -0.12 -0.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.85 1qjo s VAL 65 CO 0.00 0.33 0.14 -0.75 -0.31 0.00 0.00 175.10 174.51 1qjo s LYS 66 N -0.13 0.57 -0.33 4.82 2.20 -1.26 -2.37 119.74 123.23 1qjo s LYS 66 Ca 0.01 -0.57 -0.41 0.00 -0.36 0.00 0.00 55.97 54.65 1qjo s LYS 66 Cb -0.08 0.23 -0.16 0.00 -1.51 0.00 0.00 37.83 36.32 1qjo s LYS 66 CO 0.00 -0.15 1.83 -2.37 -0.36 0.00 0.00 175.35 174.31 1qjo n THR 67 N 1.03 0.23 0.00 3.43 5.66 -1.24 -1.57 114.28 121.83 1qjo n THR 67 Ca -0.21 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1qjo n THR 67 Cb 0.57 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 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 4.83 3.43 3.23 1.09 0.00 0.50 -4.91 105.19 113.36 1qjo n GLY 68 Ca 0.32 -1.01 -0.59 0.00 0.00 0.00 0.00 46.02 44.74 1qjo n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qjo n SER 69 N 0.00 0.95 -2.77 1.61 7.64 -0.61 -4.19 113.62 116.26 1qjo n SER 69 Ca 0.00 0.92 -0.13 0.00 1.01 0.00 0.00 58.87 60.67 1qjo n SER 69 Cb 0.00 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 1qjo n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjo n LEU 70 N 4.64 3.51 -0.04 -3.43 -0.00 -1.26 -2.31 117.00 118.10 1qjo n LEU 70 Ca 0.35 -2.27 -0.01 0.00 -0.00 0.00 0.00 56.01 54.08 1qjo n LEU 70 Cb -0.05 -0.87 -0.00 0.00 -0.00 0.00 0.00 43.42 42.50 1qjo n LEU 70 CO 0.80 0.44 0.06 -0.38 -0.00 0.00 0.00 177.39 178.31 1qjo n ILE 71 N 3.65 -0.07 -3.72 1.47 2.08 0.20 -4.76 119.36 118.22 1qjo n ILE 71 Ca 0.31 0.26 -0.01 0.00 0.56 0.00 0.00 62.75 63.86 1qjo n ILE 71 Cb 0.25 -0.33 0.01 0.00 -0.75 0.00 0.00 39.64 38.83 1qjo n ILE 71 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 1qjo n MET 72 N -4.15 0.32 -4.92 0.38 0.00 -1.07 -4.05 117.12 103.63 1qjo n MET 72 Ca 0.01 -0.76 -0.33 0.00 0.00 0.00 0.00 57.70 56.62 1qjo n MET 72 Cb 0.03 1.04 -0.14 0.00 0.00 0.00 0.00 33.22 34.15 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 -2.27 2.83 0.06 3.17 -4.36 0.19 0.97 121.20 121.80 1qjo s ILE 73 Ca 0.13 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 1qjo s ILE 73 Cb -0.01 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.57 1qjo s ILE 73 CO 0.03 0.56 0.05 0.49 0.24 0.00 0.00 174.94 176.31 1qjo n PHE 74 N 3.01 -1.83 -3.15 1.37 3.01 0.12 -0.52 117.46 119.47 1qjo n PHE 74 Ca -0.18 -0.24 0.04 0.00 1.01 0.00 0.00 57.45 58.08 1qjo n PHE 74 Cb 0.52 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.94 1qjo n PHE 74 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1qjo s GLU 75 N -2.25 0.55 -0.62 -1.08 2.56 -0.81 0.04 118.70 117.10 1qjo s GLU 75 Ca 0.04 0.88 -0.27 0.00 0.00 0.00 0.00 54.97 55.61 1qjo s GLU 75 Cb -0.00 0.47 -0.26 0.00 2.00 0.00 0.00 34.13 36.34 1qjo s GLU 75 CO 0.03 -0.70 1.85 1.33 -0.56 0.00 0.00 175.26 177.21 1qjo n VAL 76 N 5.43 0.54 -4.48 3.70 0.24 -0.97 -1.30 118.33 121.50 1qjo n VAL 76 Ca 0.00 -0.52 -0.31 0.00 -2.04 0.00 0.00 64.34 61.48 1qjo n VAL 76 Cb 0.52 -2.07 -0.11 0.00 -1.47 0.00 0.00 33.84 30.70 1qjo n VAL 76 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1qjo s GLU 77 N 7.11 2.14 0.00 7.34 -6.30 -1.26 -4.67 118.70 123.05 1qjo s GLU 77 Ca 0.71 -0.97 0.00 0.00 -2.50 0.00 0.00 54.97 52.21 1qjo s GLU 77 Cb 0.07 -2.26 0.00 0.00 0.00 0.00 0.00 34.13 31.93 1qjo s GLU 77 CO 0.24 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1qjo n GLY 78 N 1.27 2.83 0.00 -1.50 0.00 -1.26 -4.19 105.19 102.34 1qjo n GLY 78 Ca -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.57 4.61 0.00 -1.26 -5.18 120.51 117.10 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