#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o78 n LYS 2 N 0.00 0.00 -2.68 0.03 4.01 -1.26 -4.81 118.16 113.45 1o78 n LYS 2 Ca 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.75 1o78 n LYS 2 Cb 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 34.58 1o78 n LYS 2 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 1o78 n LEU 3 N 0.00 -1.58 -3.47 -0.35 -0.00 -1.26 -5.09 117.00 105.25 1o78 n LEU 3 Ca 0.00 -2.68 -0.25 0.00 -0.00 0.00 0.00 56.01 53.08 1o78 n LEU 3 Cb 0.00 0.50 -0.12 0.00 -0.00 0.00 0.00 43.42 43.80 1o78 n LEU 3 CO 0.00 1.58 -0.27 -0.75 -0.00 0.00 0.00 177.39 177.95 1o78 s LYS 4 N 0.12 0.34 0.05 1.47 2.20 -1.26 -5.13 119.74 117.54 1o78 s LYS 4 Ca 0.14 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1o78 s LYS 4 Cb 0.25 -1.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.52 1o78 s LYS 4 CO -0.06 -1.08 -0.00 0.08 -0.36 0.00 0.00 175.35 173.93 1o78 s VAL 5 N 1.89 4.06 0.00 4.02 1.01 -1.26 -5.02 120.40 125.10 1o78 s VAL 5 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1o78 s VAL 5 Cb -0.17 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1o78 s VAL 5 CO -0.25 0.23 0.00 0.35 0.00 0.00 0.00 175.10 175.43 1o78 n THR 6 N 0.91 0.00 -2.92 3.92 -2.24 -1.26 -3.94 114.28 108.75 1o78 n THR 6 Ca -0.12 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 1o78 n THR 6 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1o78 n THR 6 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1o78 n VAL 7 N 0.00 2.51 -4.14 2.28 0.24 -1.26 -5.03 118.33 112.93 1o78 n VAL 7 Ca 0.00 -5.33 -0.23 0.00 -2.04 0.00 0.00 64.34 56.74 1o78 n VAL 7 Cb 0.00 -1.18 -0.17 0.00 -1.47 0.00 0.00 33.84 31.02 1o78 n VAL 7 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1o78 s ASN 8 N -3.33 1.51 0.00 -1.34 4.22 -1.25 -5.07 114.94 109.67 1o78 s ASN 8 Ca 0.47 -0.20 0.00 0.00 -2.14 0.00 0.00 52.86 50.99 1o78 s ASN 8 Cb 0.31 -0.62 0.00 0.00 1.28 0.00 0.00 41.25 42.22 1o78 s ASN 8 CO -0.13 -0.07 0.00 0.61 -2.04 0.00 0.00 177.10 175.47 1o78 n GLY 9 N 4.37 2.44 2.32 0.45 0.00 -1.26 -4.90 105.19 108.61 1o78 n GLY 9 Ca -0.19 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1o78 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o78 n ALA 10 N 0.00 5.77 -2.27 4.61 0.00 -1.26 -4.95 120.51 122.41 1o78 n ALA 10 Ca 0.00 -3.77 -0.35 0.00 0.00 0.00 0.00 53.44 49.32 1o78 n ALA 10 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 1o78 n ALA 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o78 s GLY 11 N -2.54 0.61 -0.62 0.00 0.00 -1.26 -4.86 107.32 98.66 1o78 s GLY 11 Ca 0.56 -1.62 0.06 0.00 0.00 0.00 0.00 44.72 43.72 1o78 s GLY 11 CO -0.07 3.12 0.58 0.28 0.00 0.00 0.00 173.10 177.02 1o78 n LYS 12 N 8.97 1.82 -3.49 2.90 5.02 -1.26 -5.06 118.16 127.06 1o78 n LYS 12 Ca 0.31 -4.30 -0.15 0.00 -2.02 0.00 0.00 58.31 52.15 1o78 n LYS 12 Cb 0.49 -2.11 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1o78 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1o78 s ALA 13 N -1.67 -1.73 -0.02 7.82 0.00 -1.26 -1.20 121.76 123.70 1o78 s ALA 13 Ca 0.33 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 1o78 s ALA 13 Cb 0.06 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1o78 s ALA 13 CO -0.11 -0.52 0.50 0.41 0.00 0.00 0.00 175.76 176.04 1o78 n GLY 14 N 0.37 0.37 3.75 0.00 0.00 -1.26 -5.02 105.19 103.40 1o78 n GLY 14 Ca -0.17 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1o78 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o78 s GLU 15 N -2.00 4.24 0.00 1.61 0.41 -1.26 -2.39 118.70 119.31 1o78 s GLU 15 Ca 0.12 2.35 0.00 0.00 -0.41 0.00 0.00 54.97 57.03 1o78 s GLU 15 Cb -0.00 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 1o78 s GLU 15 CO -0.01 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 1o78 n GLY 16 N 1.99 3.06 3.45 -1.39 0.00 -1.26 -5.00 105.19 106.03 1o78 n GLY 16 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1o78 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o78 s GLU 17 N -0.87 3.58 -0.43 1.61 8.01 -1.01 -1.11 118.70 128.49 1o78 s GLU 17 Ca 0.00 -0.56 -0.27 0.00 0.01 0.00 0.00 54.97 54.15 1o78 s GLU 17 Cb 0.00 -2.92 0.02 0.00 -4.31 0.00 0.00 34.13 26.93 1o78 s GLU 17 CO 0.00 0.14 1.02 0.42 0.01 0.00 0.00 175.26 176.85 1o78 s ILE 18 N 0.62 4.41 0.38 -1.63 1.09 -1.14 -4.66 121.20 120.26 1o78 s ILE 18 Ca -0.03 1.15 -0.26 0.00 -1.10 0.00 0.00 60.65 60.42 1o78 s ILE 18 Cb -0.15 -4.47 -0.09 0.00 -1.06 0.00 0.00 42.46 36.70 1o78 s ILE 18 CO 0.02 -0.78 1.17 -2.16 -0.10 0.00 0.00 174.94 173.09 1o78 s PRO 19 N 3.92 4.16 0.05 2.79 0.04 -1.26 -2.12 135.00 142.58 1o78 s PRO 19 Ca 0.42 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 1o78 s PRO 19 Cb -0.10 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1o78 s PRO 19 CO 0.25 -0.23 0.72 0.00 0.04 0.00 0.00 177.00 177.77 1o78 s ALA 20 N -1.37 3.42 0.14 8.56 0.00 -1.05 -4.89 121.76 126.56 1o78 s ALA 20 Ca 0.55 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 1o78 s ALA 20 Cb -0.31 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1o78 s ALA 20 CO 0.39 0.14 1.15 -1.25 0.00 0.00 0.00 175.76 176.19 1o78 s PRO 21 N -0.30 4.52 1.55 0.00 0.04 -1.26 -2.14 135.00 137.40 1o78 s PRO 21 Ca 0.36 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1o78 s PRO 21 Cb -0.20 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1o78 s PRO 21 CO 0.22 -0.06 0.00 1.28 0.04 0.00 0.00 177.00 178.48 1o78 n LEU 22 N 2.89 0.00 -4.83 -3.56 4.32 -1.26 -4.66 117.00 109.90 1o78 n LEU 22 Ca 0.05 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.68 1o78 n LEU 22 Cb 0.46 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.19 1o78 n LEU 22 CO 0.55 -0.79 -0.18 0.00 -1.22 0.00 0.00 177.39 175.74 1o78 s ALA 23 N -1.67 3.79 0.25 -1.18 0.00 -1.26 0.19 121.76 121.89 1o78 s ALA 23 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1o78 s ALA 23 Cb 0.00 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1o78 s ALA 23 CO 0.00 0.52 0.58 0.20 0.00 0.00 0.00 175.76 177.07 1o78 s GLY 24 N -0.73 0.18 -0.07 0.00 0.00 0.14 -4.89 107.32 101.95 1o78 s GLY 24 Ca 0.13 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.35 1o78 s GLY 24 CO 0.03 -0.35 -0.20 -1.59 0.00 0.00 0.00 173.10 170.98 1o78 s THR 25 N -3.95 1.73 0.36 0.90 2.01 -1.21 -0.89 115.64 114.58 1o78 s THR 25 Ca 0.16 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 61.03 1o78 s THR 25 Cb -0.03 -1.50 -0.10 0.00 0.01 0.00 0.00 72.50 70.89 1o78 s THR 25 CO 0.06 0.49 1.28 -0.69 -0.69 0.00 0.00 174.62 175.07 1o78 s VAL 26 N 0.21 2.77 -0.04 3.82 1.01 -1.26 -2.12 120.40 124.79 1o78 s VAL 26 Ca -0.11 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.68 1o78 s VAL 26 Cb -0.15 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1o78 s VAL 26 CO 0.05 0.14 0.10 -1.20 0.00 0.00 0.00 175.10 174.20 1o78 n SER 27 N 0.52 3.30 -3.64 3.32 7.64 -0.74 -3.10 113.62 120.91 1o78 n SER 27 Ca 0.02 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 1o78 n SER 27 Cb 0.43 1.04 -0.07 0.00 -1.01 0.00 0.00 64.21 64.60 1o78 n SER 27 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1o78 s LYS 28 N -2.36 0.19 -0.16 1.43 1.02 -1.25 -4.87 119.74 113.74 1o78 s LYS 28 Ca -0.03 0.21 -0.09 0.00 0.02 0.00 0.00 55.97 56.08 1o78 s LYS 28 Cb 0.04 0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 1o78 s LYS 28 CO 0.30 -0.03 0.13 -1.50 -0.92 0.00 0.00 175.35 173.33 1o78 s ILE 29 N -0.00 5.44 -0.14 2.17 2.07 -1.26 -1.77 121.20 127.71 1o78 s ILE 29 Ca 0.06 0.20 -0.13 0.00 -1.41 0.00 0.00 60.65 59.37 1o78 s ILE 29 Cb -0.05 -3.43 -0.09 0.00 0.13 0.00 0.00 42.46 39.01 1o78 s ILE 29 CO -0.12 0.52 0.12 -0.07 -1.91 0.00 0.00 174.94 173.47 1o78 h LEU 30 N 5.92 0.00 0.00 8.50 -0.00 -1.55 -3.48 115.31 124.70 1o78 h LEU 30 Ca -0.47 -0.28 -0.32 0.00 -0.00 0.00 0.00 57.88 56.81 1o78 h LEU 30 Cb 1.19 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.97 1o78 h LEU 30 CO 0.68 0.88 0.29 1.33 -0.00 0.00 0.00 178.44 181.62 1o78 n VAL 31 N -4.62 0.00 -2.76 1.22 0.24 -0.97 -5.02 118.33 106.41 1o78 n VAL 31 Ca -0.11 -0.75 -0.10 0.00 -2.04 0.00 0.00 64.34 61.34 1o78 n VAL 31 Cb 0.31 -1.59 0.04 0.00 -1.47 0.00 0.00 33.84 31.14 1o78 n VAL 31 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1o78 n LYS 32 N -3.00 1.12 -1.51 7.34 4.81 -1.26 -5.04 118.16 120.61 1o78 n LYS 32 Ca 0.12 -2.86 0.14 0.00 -0.87 0.00 0.00 58.31 54.84 1o78 n LYS 32 Cb 0.42 -1.04 -0.08 0.00 0.02 0.00 0.00 35.03 34.36 1o78 n LYS 32 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1o78 n GLU 33 N -0.09 -3.62 -2.15 1.64 2.13 -1.26 -4.70 120.64 112.58 1o78 n GLU 33 Ca 0.09 2.93 -0.18 0.00 0.66 0.00 0.00 57.16 60.66 1o78 n GLU 33 Cb 0.79 -4.03 -0.03 0.00 0.27 0.00 0.00 31.44 28.44 1o78 n GLU 33 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1o78 n GLY 34 N -3.99 0.14 3.73 8.31 0.00 -1.19 -4.95 105.19 107.23 1o78 n GLY 34 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1o78 n GLY 34 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1o78 s ASP 35 N -2.17 5.29 -0.21 1.61 1.47 -1.26 -4.83 116.67 116.56 1o78 s ASP 35 Ca 0.00 -0.04 -0.05 0.00 1.18 0.00 0.00 52.55 53.64 1o78 s ASP 35 Cb 0.00 -1.38 -0.02 0.00 -0.34 0.00 0.00 42.92 41.18 1o78 s ASP 35 CO 0.00 0.22 0.00 -0.89 0.68 0.00 0.00 175.17 175.18 1o78 s THR 36 N -1.26 3.91 0.33 2.11 2.01 -1.26 -0.42 115.64 121.06 1o78 s THR 36 Ca 0.25 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1o78 s THR 36 Cb -0.12 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.65 1o78 s THR 36 CO 0.17 0.41 0.27 1.33 -0.69 0.00 0.00 174.62 176.11 1o78 n VAL 37 N 4.42 0.00 -2.67 3.82 0.24 0.39 -4.94 118.33 119.59 1o78 n VAL 37 Ca -0.17 -1.29 -0.08 0.00 -2.04 0.00 0.00 64.34 60.75 1o78 n VAL 37 Cb 0.52 -0.27 0.04 0.00 -1.47 0.00 0.00 33.84 32.66 1o78 n VAL 37 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1o78 n LYS 38 N -1.33 1.17 -2.81 7.34 4.81 -1.26 -2.47 118.16 123.62 1o78 n LYS 38 Ca -0.00 -3.06 -0.01 0.00 -0.87 0.00 0.00 58.31 54.36 1o78 n LYS 38 Cb 0.37 -1.09 -0.01 0.00 0.02 0.00 0.00 35.03 34.32 1o78 n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1o78 n ALA 39 N -0.16 -3.08 0.00 3.14 0.00 -1.22 -4.40 120.51 114.79 1o78 n ALA 39 Ca 0.07 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.34 1o78 n ALA 39 Cb 0.82 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1o78 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o78 n GLY 40 N 1.20 1.48 3.66 0.00 0.00 0.11 -4.84 105.19 106.80 1o78 n GLY 40 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1o78 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1o78 s GLN 41 N 0.00 4.24 -0.42 1.61 0.74 -1.26 -4.57 119.66 119.99 1o78 s GLN 41 Ca 0.00 1.51 -0.27 0.00 0.05 0.00 0.00 55.36 56.65 1o78 s GLN 41 Cb 0.00 -3.71 -0.06 0.00 1.10 0.00 0.00 33.01 30.35 1o78 s GLN 41 CO 0.00 -0.67 2.26 0.99 -0.55 0.00 0.00 175.29 177.32 1o78 s THR 42 N 3.36 3.07 -0.25 -0.34 2.01 -1.26 -0.76 115.64 121.48 1o78 s THR 42 Ca 0.49 0.06 0.21 0.00 0.31 0.00 0.00 61.69 62.76 1o78 s THR 42 Cb -0.18 -3.16 0.06 0.00 0.01 0.00 0.00 72.50 69.23 1o78 s THR 42 CO 0.10 -0.14 1.17 -0.37 -0.69 0.00 0.00 174.62 174.70 1o78 h VAL 43 N 7.41 0.17 -3.80 3.82 -1.51 -0.04 -3.42 116.25 118.88 1o78 h VAL 43 Ca -0.29 -1.29 -0.18 0.00 -1.23 0.00 0.00 66.70 63.71 1o78 h VAL 43 Cb 1.24 1.80 -0.07 0.00 -2.13 0.00 0.00 31.29 32.13 1o78 h VAL 43 CO 1.11 0.10 -0.08 -0.76 -1.23 0.00 0.00 177.57 176.70 1o78 s LEU 44 N -5.74 0.67 -0.10 4.19 1.02 -1.12 -1.54 118.68 116.06 1o78 s LEU 44 Ca 0.01 -1.31 -0.01 0.00 0.02 0.00 0.00 54.13 52.84 1o78 s LEU 44 Cb 0.08 1.80 0.03 0.00 0.02 0.00 0.00 46.19 48.13 1o78 s LEU 44 CO 0.76 -1.35 -0.01 -0.69 0.02 0.00 0.00 176.35 175.09 1o78 s VAL 45 N -3.09 0.52 0.21 -1.59 1.01 -0.73 -0.13 120.40 116.59 1o78 s VAL 45 Ca 0.26 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1o78 s VAL 45 Cb -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1o78 s VAL 45 CO 0.16 0.18 0.35 -0.22 0.00 0.00 0.00 175.10 175.57 1o78 s LEU 46 N 1.90 4.30 -0.25 3.92 2.96 -0.10 -1.80 118.68 129.61 1o78 s LEU 46 Ca 0.04 0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1o78 s LEU 46 Cb -0.13 -2.95 0.13 0.00 0.50 0.00 0.00 46.19 43.74 1o78 s LEU 46 CO -0.06 -0.04 0.49 -0.70 -1.32 0.00 0.00 176.35 174.72 1o78 s GLU 47 N -3.64 0.43 -0.08 1.98 2.12 -0.90 -0.40 118.70 118.21 1o78 s GLU 47 Ca 0.35 0.97 -0.01 0.00 0.36 0.00 0.00 54.97 56.65 1o78 s GLU 47 Cb -0.10 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.58 1o78 s GLU 47 CO 0.29 -0.43 -0.02 0.00 -0.54 0.00 0.00 175.26 174.57 1o78 s ALA 48 N 2.70 0.84 -1.22 6.30 0.00 -1.26 -3.31 121.76 125.81 1o78 s ALA 48 Ca 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1o78 s ALA 48 Cb -0.14 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1o78 s ALA 48 CO -0.17 -0.42 0.84 -1.33 0.00 0.00 0.00 175.76 174.68 1o78 n MET 49 N 5.04 -4.84 -3.72 0.00 2.81 -1.26 -2.75 117.12 112.41 1o78 n MET 49 Ca -0.09 0.72 -0.26 0.00 -1.81 0.00 0.00 57.70 56.25 1o78 n MET 49 Cb 0.50 -5.42 0.03 0.00 -0.71 0.00 0.00 33.22 27.62 1o78 n MET 49 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1o78 n LYS 50 N -4.07 -2.73 -0.04 0.03 4.76 -1.26 -4.90 118.16 109.94 1o78 n LYS 50 Ca -0.25 0.51 -0.05 0.00 -2.87 0.00 0.00 58.31 55.66 1o78 n LYS 50 Cb 0.66 -4.61 -0.05 0.00 -1.84 0.00 0.00 35.03 29.19 1o78 n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1o78 n MET 51 N -4.19 1.63 -2.70 1.97 2.81 -1.11 -5.10 117.12 110.43 1o78 n MET 51 Ca -0.20 0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.67 1o78 n MET 51 Cb 0.64 -1.18 -0.04 0.00 -0.71 0.00 0.00 33.22 31.93 1o78 n MET 51 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1o78 n GLU 52 N -2.50 -3.90 -3.82 0.03 4.07 -1.26 -4.94 120.64 108.32 1o78 n GLU 52 Ca -0.14 2.99 -0.29 0.00 -0.06 0.00 0.00 57.16 59.66 1o78 n GLU 52 Cb 0.71 -4.12 -0.16 0.00 -0.06 0.00 0.00 31.44 27.81 1o78 n GLU 52 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1o78 s THR 53 N -0.51 1.03 0.61 6.31 2.01 0.46 -4.99 115.64 120.57 1o78 s THR 53 Ca -0.22 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.53 1o78 s THR 53 Cb 0.01 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1o78 s THR 53 CO 0.61 -0.29 1.27 -1.61 -0.69 0.00 0.00 174.62 173.90 1o78 s GLU 54 N 1.60 2.79 -0.74 4.92 2.02 -1.26 -0.92 118.70 127.11 1o78 s GLU 54 Ca 0.00 1.99 -0.02 0.00 0.02 0.00 0.00 54.97 56.96 1o78 s GLU 54 Cb -0.18 -1.93 0.19 0.00 0.10 0.00 0.00 34.13 32.31 1o78 s GLU 54 CO -0.11 -1.39 0.58 0.42 0.02 0.00 0.00 175.26 174.78 1o78 s ILE 55 N -1.46 3.95 -0.09 -1.63 1.01 0.81 -4.80 121.20 119.00 1o78 s ILE 55 Ca 0.79 -3.37 -0.26 0.00 0.00 0.00 0.00 60.65 57.82 1o78 s ILE 55 Cb -0.35 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1o78 s ILE 55 CO 0.38 -0.97 0.81 0.20 0.00 0.00 0.00 174.94 175.36 1o78 s ASN 56 N 0.28 7.06 0.43 3.58 -0.87 -1.26 0.72 114.94 124.87 1o78 s ASN 56 Ca 0.21 1.29 -0.23 0.00 -1.57 0.00 0.00 52.86 52.56 1o78 s ASN 56 Cb -0.14 -2.46 -0.12 0.00 -0.02 0.00 0.00 41.25 38.51 1o78 s ASN 56 CO -0.07 -0.25 0.67 0.00 -2.57 0.00 0.00 177.10 174.87 1o78 n ALA 57 N 4.36 -1.08 -0.04 0.60 0.00 0.06 -4.54 120.51 119.88 1o78 n ALA 57 Ca 0.02 0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 1o78 n ALA 57 Cb 0.50 -1.85 -0.09 0.00 0.00 0.00 0.00 19.45 18.01 1o78 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1o78 h PRO 58 N 0.95 0.40 -4.47 0.00 0.13 -1.93 0.32 132.00 127.41 1o78 h PRO 58 Ca -0.41 -0.30 -0.19 0.00 -0.87 0.00 0.00 66.00 64.22 1o78 h PRO 58 Cb 1.38 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.41 1o78 h PRO 58 CO 0.53 0.92 -0.70 -0.08 -0.23 0.00 0.00 178.00 178.44 1o78 s THR 59 N -3.78 0.49 0.94 1.56 -1.32 -1.26 -4.48 115.64 107.78 1o78 s THR 59 Ca -0.14 -1.72 -0.11 0.00 -1.21 0.00 0.00 61.69 58.51 1o78 s THR 59 Cb 0.05 -1.40 0.11 0.00 -1.51 0.00 0.00 72.50 69.74 1o78 s THR 59 CO 0.79 -0.83 0.83 -0.90 -2.21 0.00 0.00 174.62 172.30 1o78 n ASP 60 N 0.30 -0.71 0.00 8.08 5.68 -1.26 -3.45 116.55 125.19 1o78 n ASP 60 Ca -0.15 0.37 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1o78 n ASP 60 Cb 0.60 -1.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 1o78 n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o78 n GLY 61 N 0.80 2.86 3.60 6.12 0.00 -1.03 -4.77 105.19 112.77 1o78 n GLY 61 Ca 0.10 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1o78 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o78 s LYS 62 N -2.07 2.84 0.26 1.61 2.20 -1.26 -0.46 119.74 122.86 1o78 s LYS 62 Ca 0.00 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1o78 s LYS 62 Cb 0.00 -2.65 -0.10 0.00 -1.51 0.00 0.00 37.83 33.56 1o78 s LYS 62 CO 0.00 0.66 1.45 0.08 -0.36 0.00 0.00 175.35 177.18 1o78 s VAL 63 N -0.78 2.57 -0.24 4.02 1.01 0.44 -0.52 120.40 126.90 1o78 s VAL 63 Ca 0.12 0.48 0.20 0.00 0.00 0.00 0.00 61.98 62.79 1o78 s VAL 63 Cb -0.11 -3.31 -0.30 0.00 0.00 0.00 0.00 36.38 32.66 1o78 s VAL 63 CO 0.02 0.08 0.54 -0.62 0.00 0.00 0.00 175.10 175.12 1o78 n GLU 64 N 2.17 0.57 0.00 2.72 -0.58 -0.62 -3.17 120.64 121.74 1o78 n GLU 64 Ca 0.06 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1o78 n GLU 64 Cb 0.40 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1o78 n GLU 64 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1o78 n LYS 65 N -2.04 0.00 -4.53 3.49 5.02 -1.21 -4.90 118.16 114.00 1o78 n LYS 65 Ca -0.02 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 1o78 n LYS 65 Cb 0.48 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.33 1o78 n LYS 65 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1o78 s VAL 66 N -2.00 1.34 -0.10 -0.18 -7.23 -1.26 0.11 120.40 111.08 1o78 s VAL 66 Ca 0.00 -0.57 0.15 0.00 -1.81 0.00 0.00 61.98 59.75 1o78 s VAL 66 Cb 0.00 -1.23 -0.22 0.00 0.56 0.00 0.00 36.38 35.49 1o78 s VAL 66 CO 0.00 0.41 0.17 0.00 -0.31 0.00 0.00 175.10 175.37 1o78 n LEU 67 N 4.04 0.00 -4.92 1.32 -0.00 -1.23 -4.97 117.00 111.25 1o78 n LEU 67 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.50 1o78 n LEU 67 Cb 0.51 0.24 -0.04 0.00 -0.00 0.00 0.00 43.42 44.13 1o78 n LEU 67 CO 0.24 0.24 -0.11 -0.69 -0.00 0.00 0.00 177.39 177.07 1o78 s VAL 68 N -2.67 5.34 0.00 1.47 1.01 -1.05 -5.08 120.40 119.42 1o78 s VAL 68 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1o78 s VAL 68 Cb 0.07 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1o78 s VAL 68 CO 0.65 0.11 0.00 0.29 0.00 0.00 0.00 175.10 176.16 1o78 n LYS 69 N 0.23 2.16 -2.68 2.72 5.02 -1.26 -4.98 118.16 119.37 1o78 n LYS 69 Ca -0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.92 1o78 n LYS 69 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.46 1o78 n LYS 69 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1o78 s GLU 70 N -0.46 4.12 -1.52 1.97 8.01 -1.26 -3.70 118.70 125.86 1o78 s GLU 70 Ca 0.00 1.08 -0.13 0.00 0.01 0.00 0.00 54.97 55.93 1o78 s GLU 70 Cb 0.00 -2.16 0.09 0.00 -4.31 0.00 0.00 34.13 27.75 1o78 s GLU 70 CO 0.00 -0.12 0.88 -2.13 0.01 0.00 0.00 175.26 173.90 1o78 n ARG 71 N -0.95 -5.01 -0.01 1.61 0.00 -1.18 -4.84 116.66 106.29 1o78 n ARG 71 Ca 0.07 0.58 0.11 0.00 -0.00 0.00 0.00 57.85 58.60 1o78 n ARG 71 Cb 0.54 -5.43 -0.16 0.00 0.00 0.00 0.00 32.46 27.40 1o78 n ARG 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1o78 n ASP 72 N -2.72 0.24 -2.27 6.15 9.92 -1.24 -4.99 116.55 121.63 1o78 n ASP 72 Ca 0.03 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 1o78 n ASP 72 Cb 0.53 1.91 0.00 0.00 -0.64 0.00 0.00 41.12 42.92 1o78 n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o78 n ALA 73 N -2.19 -1.82 -2.41 2.24 0.00 -1.26 -4.99 120.51 110.08 1o78 n ALA 73 Ca -0.03 0.41 -0.28 0.00 0.00 0.00 0.00 53.44 53.53 1o78 n ALA 73 Cb 0.54 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 1o78 n ALA 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1o78 s VAL 74 N -0.49 1.96 0.52 0.00 -7.23 -0.07 -4.99 120.40 110.09 1o78 s VAL 74 Ca 0.00 -1.36 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1o78 s VAL 74 Cb 0.00 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.29 1o78 s VAL 74 CO 0.00 0.26 0.72 -1.58 -0.31 0.00 0.00 175.10 174.19 1o78 s GLN 75 N -1.32 2.55 -0.01 4.82 0.74 -1.26 -0.69 119.66 124.49 1o78 s GLN 75 Ca 0.10 -1.07 -0.30 0.00 0.05 0.00 0.00 55.36 54.14 1o78 s GLN 75 Cb -0.10 -2.59 -0.07 0.00 1.10 0.00 0.00 33.01 31.35 1o78 s GLN 75 CO 0.02 -0.62 1.83 0.20 -0.55 0.00 0.00 175.29 176.17 1o78 s GLY 76 N -4.45 1.48 0.00 2.59 0.00 0.13 -3.16 107.32 103.91 1o78 s GLY 76 Ca 0.58 1.14 0.00 0.00 0.00 0.00 0.00 44.72 46.44 1o78 s GLY 76 CO 0.37 3.28 0.00 0.61 0.00 0.00 0.00 173.10 177.36 1o78 n GLY 77 N 4.38 0.78 2.86 0.20 0.00 -0.91 -4.83 105.19 107.67 1o78 n GLY 77 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1o78 n GLY 77 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1o78 s GLN 78 N 0.44 0.87 0.32 1.61 2.00 -1.19 -4.77 119.66 118.93 1o78 s GLN 78 Ca 0.00 -0.06 -0.28 0.00 -2.00 0.00 0.00 55.36 53.01 1o78 s GLN 78 Cb 0.00 -0.99 -0.13 0.00 0.80 0.00 0.00 33.01 32.70 1o78 s GLN 78 CO 0.00 -0.17 1.26 0.41 -0.50 0.00 0.00 175.29 176.29 1o78 n GLY 79 N 4.50 0.48 0.45 2.59 0.00 -0.34 -2.54 105.19 110.34 1o78 n GLY 79 Ca -0.17 0.34 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1o78 n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o78 n LEU 80 N 0.97 1.46 -3.91 0.99 4.77 -0.90 -4.68 117.00 115.70 1o78 n LEU 80 Ca 0.06 0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 1o78 n LEU 80 Cb 0.35 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 1o78 n LEU 80 CO 0.62 -0.46 -0.22 -0.51 -1.33 0.00 0.00 177.39 175.49 1o78 s ILE 81 N -2.40 0.10 0.04 -0.08 2.07 -1.26 -2.54 121.20 117.13 1o78 s ILE 81 Ca -0.16 -0.87 -0.10 0.00 -1.41 0.00 0.00 60.65 58.12 1o78 s ILE 81 Cb 0.02 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 1o78 s ILE 81 CO 0.24 -0.48 0.35 -0.75 -1.91 0.00 0.00 174.94 172.39 1o78 s LYS 82 N -1.81 3.72 0.05 3.50 2.20 0.12 -2.89 119.74 124.63 1o78 s LYS 82 Ca -0.12 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1o78 s LYS 82 Cb -0.06 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 1o78 s LYS 82 CO -0.01 0.62 -0.07 -1.50 -0.36 0.00 0.00 175.35 174.03 1o78 s ILE 83 N -1.30 0.56 -2.00 5.43 2.07 -0.27 -1.58 121.20 124.11 1o78 s ILE 83 Ca 0.29 -1.24 0.14 0.00 -1.41 0.00 0.00 60.65 58.42 1o78 s ILE 83 Cb -0.14 -0.81 0.39 0.00 0.13 0.00 0.00 42.46 42.03 1o78 s ILE 83 CO 0.16 -0.48 1.24 0.61 -1.91 0.00 0.00 174.94 174.56