#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3t s GLN 2 N 0.00 3.92 0.01 3.17 2.00 -1.26 -1.34 119.66 126.16 1c3t s GLN 2 Ca 0.00 0.06 0.06 0.00 -2.00 0.00 0.00 55.36 53.48 1c3t s GLN 2 Cb 0.00 -3.31 -0.02 0.00 0.80 0.00 0.00 33.01 30.49 1c3t s GLN 2 CO 0.00 0.52 -0.19 -0.51 -0.50 0.00 0.00 175.29 174.61 1c3t s LEU 3 N -0.36 2.09 -0.35 3.68 1.43 0.79 -0.30 118.68 125.67 1c3t s LEU 3 Ca 0.17 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1c3t s LEU 3 Cb -0.13 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1c3t s LEU 3 CO 0.05 0.19 0.18 -0.36 0.23 0.00 0.00 176.35 176.64 1c3t s PHE 4 N -0.60 3.22 -0.23 0.29 0.40 -0.20 -1.10 117.98 119.77 1c3t s PHE 4 Ca 0.07 -0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 55.40 1c3t s PHE 4 Cb -0.08 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 1c3t s PHE 4 CO 0.00 -0.61 0.03 0.08 0.70 0.00 0.00 175.22 175.42 1c3t s VAL 5 N 1.55 4.00 0.34 -0.44 1.01 -0.43 -2.23 120.40 124.20 1c3t s VAL 5 Ca 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.80 1c3t s VAL 5 Cb -0.19 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1c3t s VAL 5 CO 0.06 0.37 0.25 -1.59 0.00 0.00 0.00 175.10 174.19 1c3t s LYS 6 N 1.49 2.62 0.48 2.72 -2.85 -0.92 -0.70 119.74 122.59 1c3t s LYS 6 Ca 0.06 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 1c3t s LYS 6 Cb -0.15 -2.39 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 1c3t s LYS 6 CO 0.01 0.10 0.01 0.25 0.10 0.00 0.00 175.35 175.82 1c3t n THR 7 N -1.31 0.00 1.03 3.79 -2.24 -0.48 -1.64 114.28 113.43 1c3t n THR 7 Ca -0.02 -2.27 0.14 0.00 -2.27 0.00 0.00 64.05 59.62 1c3t n THR 7 Cb 0.60 0.44 0.62 0.00 -2.10 0.00 0.00 70.33 69.89 1c3t n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1c3t n LEU 8 N 0.00 0.00 0.04 3.22 0.00 -1.24 -3.07 117.00 115.95 1c3t n LEU 8 Ca -0.20 0.46 0.05 0.00 0.00 0.00 0.00 56.01 56.32 1c3t n LEU 8 Cb 0.61 -0.46 -0.07 0.00 0.00 0.00 0.00 43.42 43.50 1c3t n LEU 8 CO 0.33 -0.02 -0.33 0.35 0.00 0.00 0.00 177.39 177.72 1c3t n THR 9 N -1.46 0.81 0.00 1.96 -2.24 -1.26 -4.97 114.28 107.13 1c3t n THR 9 Ca 0.08 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1c3t n THR 9 Cb 0.31 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1c3t n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3t n GLY 10 N 1.33 1.42 3.71 3.38 0.00 -1.18 -5.10 105.19 108.74 1c3t n GLY 10 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1c3t n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3t s LYS 11 N -0.24 4.27 -0.11 1.61 2.20 -1.26 -4.87 119.74 121.34 1c3t s LYS 11 Ca 0.00 0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 1c3t s LYS 11 Cb 0.00 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1c3t s LYS 11 CO 0.00 0.12 -0.14 0.99 -0.36 0.00 0.00 175.35 175.95 1c3t s THR 12 N 0.80 2.98 -0.01 3.43 2.01 -1.26 -1.38 115.64 122.20 1c3t s THR 12 Ca 0.21 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.55 1c3t s THR 12 Cb -0.14 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1c3t s THR 12 CO 0.08 0.54 -0.16 -1.48 -0.69 0.00 0.00 174.62 172.91 1c3t s LEU 13 N 0.06 2.03 -0.24 4.42 0.05 0.13 -4.97 118.68 120.16 1c3t s LEU 13 Ca -0.06 -0.30 -0.15 0.00 0.05 0.00 0.00 54.13 53.68 1c3t s LEU 13 Cb -0.15 -0.84 -0.04 0.00 -2.05 0.00 0.00 46.19 43.12 1c3t s LEU 13 CO 0.05 0.20 0.36 -0.89 -0.55 0.00 0.00 176.35 175.51 1c3t s THR 14 N -0.39 5.20 0.09 5.48 2.01 -1.26 -1.31 115.64 125.46 1c3t s THR 14 Ca 0.06 0.58 0.09 0.00 0.31 0.00 0.00 61.69 62.74 1c3t s THR 14 Cb -0.06 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1c3t s THR 14 CO -0.01 0.21 -0.25 0.68 -0.69 0.00 0.00 174.62 174.56 1c3t s VAL 15 N 1.72 2.02 -0.29 3.82 -7.23 -0.26 -4.95 120.40 115.23 1c3t s VAL 15 Ca 0.16 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1c3t s VAL 15 Cb -0.15 -1.78 -0.00 0.00 0.56 0.00 0.00 36.38 35.00 1c3t s VAL 15 CO 0.09 0.14 0.11 -1.61 -0.31 0.00 0.00 175.10 173.52 1c3t s GLU 16 N -1.70 3.29 0.29 4.82 2.02 -1.26 -0.15 118.70 126.01 1c3t s GLU 16 Ca 0.11 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.42 1c3t s GLU 16 Cb -0.10 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1c3t s GLU 16 CO 0.04 -0.39 0.27 1.28 0.02 0.00 0.00 175.26 176.48 1c3t n LEU 17 N 4.93 0.00 -4.26 1.80 4.77 -0.45 -4.92 117.00 118.87 1c3t n LEU 17 Ca -0.15 -2.70 -0.21 0.00 -0.03 0.00 0.00 56.01 52.93 1c3t n LEU 17 Cb 0.49 1.54 -0.12 0.00 -2.33 0.00 0.00 43.42 43.00 1c3t n LEU 17 CO 0.32 -0.47 -0.48 -1.61 -1.33 0.00 0.00 177.39 173.82 1c3t s GLU 18 N -3.11 1.05 0.50 3.23 0.41 -1.26 0.47 118.70 119.99 1c3t s GLU 18 Ca 0.33 -1.17 0.30 0.00 -0.41 0.00 0.00 54.97 54.03 1c3t s GLU 18 Cb 0.01 -1.14 1.65 0.00 -1.78 0.00 0.00 34.13 32.87 1c3t s GLU 18 CO 0.24 0.25 1.92 -1.35 -0.49 0.00 0.00 175.26 175.83 1c3t h PRO 19 N 3.87 0.00 -0.02 0.39 0.11 -1.95 0.18 132.00 134.58 1c3t h PRO 19 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1c3t h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1c3t h PRO 19 CO 0.44 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 1c3t n SER 20 N -2.62 1.23 -4.81 -2.05 3.41 -1.26 -0.05 113.62 107.47 1c3t n SER 20 Ca -0.02 -1.42 -0.32 0.00 -0.26 0.00 0.00 58.87 56.86 1c3t n SER 20 Cb 0.13 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1c3t n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1c3t s ASP 21 N -1.98 5.39 0.28 4.04 1.01 0.61 -4.81 116.67 121.20 1c3t s ASP 21 Ca 0.40 1.71 0.09 0.00 0.71 0.00 0.00 52.55 55.45 1c3t s ASP 21 Cb 0.21 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1c3t s ASP 21 CO 0.34 -1.43 0.04 0.42 0.21 0.00 0.00 175.17 174.74 1c3t s THR 22 N -2.84 3.50 0.23 -1.27 -4.23 -1.26 -0.00 115.64 109.77 1c3t s THR 22 Ca 0.60 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1c3t s THR 22 Cb -0.15 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 70.98 1c3t s THR 22 CO 0.49 -0.34 1.67 0.58 -0.54 0.00 0.00 174.62 176.48 1c3t h VAL 23 N 1.79 0.48 -0.93 2.29 2.07 -1.10 0.15 116.25 121.00 1c3t h VAL 23 Ca -0.45 -0.06 0.15 0.00 0.82 0.00 0.00 66.70 67.17 1c3t h VAL 23 Cb 1.25 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.22 1c3t h VAL 23 CO 0.61 0.03 0.53 -0.33 0.02 0.00 0.00 177.57 178.43 1c3t h GLU 24 N 0.17 0.72 0.86 1.57 5.08 -1.95 0.02 114.58 121.05 1c3t h GLU 24 Ca 0.37 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1c3t h GLU 24 Cb 0.62 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1c3t h GLU 24 CO -0.54 0.48 -0.41 -0.91 -1.00 0.00 0.00 179.01 176.62 1c3t h ASN 25 N 0.75 -0.98 -0.86 1.42 4.21 -1.11 -1.58 115.58 117.42 1c3t h ASN 25 Ca 0.51 0.03 0.20 0.00 1.21 0.00 0.00 56.30 58.25 1c3t h ASN 25 Cb 0.70 0.25 -0.12 0.00 -1.12 0.00 0.00 38.32 38.03 1c3t h ASN 25 CO -0.35 -0.65 0.36 0.25 -1.29 0.00 0.00 177.43 175.75 1c3t h LEU 26 N -1.25 0.29 -0.60 1.61 5.85 -0.97 0.24 115.31 120.48 1c3t h LEU 26 Ca -0.12 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1c3t h LEU 26 Cb 0.89 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1c3t h LEU 26 CO 0.19 0.02 0.33 0.11 -0.34 0.00 0.00 178.44 178.75 1c3t h LYS 27 N 0.40 0.60 -0.87 1.25 1.79 -0.84 -1.45 116.57 117.45 1c3t h LYS 27 Ca 0.52 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 59.06 1c3t h LYS 27 Cb 0.95 -0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 31.38 1c3t h LYS 27 CO -0.51 0.40 0.51 0.00 -1.08 0.00 0.00 179.45 178.77 1c3t h ALA 28 N 1.31 1.27 -0.64 3.86 0.00 0.49 0.35 119.26 125.89 1c3t h ALA 28 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1c3t h ALA 28 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1c3t h ALA 28 CO -0.16 0.11 0.40 0.87 0.00 0.00 0.00 179.25 180.47 1c3t h LYS 29 N 0.83 0.86 0.00 0.00 1.79 -0.74 0.21 116.57 119.51 1c3t h LYS 29 Ca 0.43 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1c3t h LYS 29 Cb 0.42 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1c3t h LYS 29 CO -0.26 0.60 0.00 0.82 -1.08 0.00 0.00 179.45 179.52 1c3t h ILE 30 N 0.87 0.00 0.00 1.86 2.04 -0.63 -1.92 117.51 119.73 1c3t h ILE 30 Ca 0.23 -0.50 -0.21 0.00 1.00 0.00 0.00 64.86 65.38 1c3t h ILE 30 Cb -0.06 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1c3t h ILE 30 CO -0.05 0.00 -1.44 -0.61 0.00 0.00 0.00 178.15 176.05 1c3t h GLN 31 N 0.00 0.00 -0.00 2.37 4.15 0.28 0.70 115.11 122.61 1c3t h GLN 31 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1c3t h GLN 31 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1c3t h GLN 31 CO 0.00 0.41 -0.41 -0.25 -1.93 0.00 0.00 178.83 176.65 1c3t n ASP 32 N -2.99 0.42 0.03 -0.69 8.00 0.62 -2.53 116.55 119.42 1c3t n ASP 32 Ca -0.11 -0.13 -0.01 0.00 0.71 0.00 0.00 54.79 55.25 1c3t n ASP 32 Cb 0.91 0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 42.13 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1c3t n LYS 33 N -1.49 0.02 0.00 -1.24 5.02 -0.75 -4.75 118.16 114.97 1c3t n LYS 33 Ca 0.06 0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.49 1c3t n LYS 33 Cb 0.34 -0.54 0.45 0.00 -0.02 0.00 0.00 35.03 35.26 1c3t n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1c3t n GLU 34 N -3.36 1.53 -3.18 1.97 -0.58 0.11 -4.94 120.64 112.20 1c3t n GLU 34 Ca -0.01 -0.93 -0.21 0.00 -0.42 0.00 0.00 57.16 55.58 1c3t n GLU 34 Cb 0.20 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c3t n GLY 35 N 1.23 -0.49 3.42 0.62 0.00 -0.41 -4.89 105.19 104.67 1c3t n GLY 35 Ca 0.17 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1c3t n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c3t s ILE 36 N -2.93 4.10 0.73 -0.61 1.01 -0.94 -4.92 121.20 117.65 1c3t s ILE 36 Ca 0.33 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 1c3t s ILE 36 Cb -0.17 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.44 1c3t s ILE 36 CO 0.40 0.37 1.24 -2.84 0.00 0.00 0.00 174.94 174.10 1c3t s PRO 37 N 1.50 2.08 0.20 2.79 0.02 -1.26 -3.70 135.00 136.63 1c3t s PRO 37 Ca 0.06 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1c3t s PRO 37 Cb -0.15 -1.81 0.14 0.00 0.02 0.00 0.00 34.50 32.70 1c3t s PRO 37 CO 0.02 -1.91 1.86 -1.35 -0.33 0.00 0.00 177.00 175.30 1c3t h PRO 38 N -0.25 0.95 -0.00 5.54 0.11 -1.95 -1.67 132.00 134.73 1c3t h PRO 38 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1c3t h PRO 38 Cb 1.31 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1c3t h PRO 38 CO 0.49 0.65 0.00 0.22 -0.21 0.00 0.00 178.00 179.15 1c3t h ASP 39 N 0.97 0.00 -0.41 -2.05 1.82 -2.01 0.47 116.42 115.21 1c3t h ASP 39 Ca 0.26 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.82 1c3t h ASP 39 Cb -0.08 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.88 1c3t h ASP 39 CO -0.05 0.00 0.05 0.00 -1.61 0.00 0.00 179.24 177.62 1c3t n GLN 40 N -3.12 3.13 -4.57 0.28 6.02 -0.64 -4.74 117.38 113.73 1c3t n GLN 40 Ca -0.03 -2.99 -0.34 0.00 -0.01 0.00 0.00 57.00 53.64 1c3t n GLN 40 Cb 0.07 -1.97 -0.12 0.00 1.02 0.00 0.00 30.24 29.24 1c3t n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1c3t s GLN 41 N -2.93 3.27 -0.37 -1.09 -0.21 0.15 -3.79 119.66 114.69 1c3t s GLN 41 Ca 0.47 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 55.30 1c3t s GLN 41 Cb 0.38 -2.73 0.15 0.00 1.00 0.00 0.00 33.01 31.81 1c3t s GLN 41 CO 0.09 0.39 0.26 0.50 -2.12 0.00 0.00 175.29 174.42 1c3t s ARG 42 N -0.08 0.68 -0.04 2.91 3.52 0.15 -4.84 118.95 121.25 1c3t s ARG 42 Ca 0.01 -1.59 -0.19 0.00 -0.13 0.00 0.00 55.73 53.82 1c3t s ARG 42 Cb -0.13 -1.31 -0.05 0.00 -1.56 0.00 0.00 34.95 31.90 1c3t s ARG 42 CO 0.03 -1.28 0.55 -0.51 -0.81 0.00 0.00 175.30 173.29 1c3t s LEU 43 N 0.72 4.38 -0.68 -0.88 1.43 -1.25 -0.39 118.68 122.01 1c3t s LEU 43 Ca 0.23 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.44 1c3t s LEU 43 Cb -0.13 -2.84 0.18 0.00 0.03 0.00 0.00 46.19 43.43 1c3t s LEU 43 CO -0.07 0.08 0.52 -0.38 0.23 0.00 0.00 176.35 176.73 1c3t n ILE 44 N 2.95 1.52 -1.52 -0.59 2.08 -0.25 -1.95 119.36 121.60 1c3t n ILE 44 Ca -0.07 -4.81 -0.14 0.00 0.56 0.00 0.00 62.75 58.28 1c3t n ILE 44 Cb 0.51 -2.14 -0.11 0.00 -0.75 0.00 0.00 39.64 37.15 1c3t n ILE 44 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 1c3t n PHE 45 N 1.88 0.81 -3.74 1.39 7.35 0.69 -2.38 117.46 123.44 1c3t n PHE 45 Ca 0.22 -0.04 -0.29 0.00 -0.76 0.00 0.00 57.45 56.59 1c3t n PHE 45 Cb 0.37 -2.05 0.02 0.00 0.35 0.00 0.00 39.48 38.17 1c3t n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1c3t n ALA 46 N 15.35 -1.20 0.00 3.13 0.00 -1.26 -1.10 120.51 135.43 1c3t n ALA 46 Ca 0.48 0.17 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1c3t n ALA 46 Cb 0.38 -4.06 0.00 0.00 0.00 0.00 0.00 19.45 15.77 1c3t n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c3t n GLY 47 N -1.56 0.79 3.24 0.00 0.00 -1.00 -5.06 105.19 101.61 1c3t n GLY 47 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1c3t n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3t s LYS 48 N -0.96 2.52 -0.54 1.61 1.02 -0.26 -5.05 119.74 118.08 1c3t s LYS 48 Ca 0.00 -1.45 -0.28 0.00 0.02 0.00 0.00 55.97 54.27 1c3t s LYS 48 Cb 0.00 -3.66 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1c3t s LYS 48 CO 0.00 -0.90 1.60 -0.65 -0.92 0.00 0.00 175.35 174.48 1c3t s GLN 49 N 1.37 3.12 0.01 1.68 -0.21 -1.26 -0.23 119.66 124.15 1c3t s GLN 49 Ca 0.02 0.64 -0.37 0.00 0.02 0.00 0.00 55.36 55.68 1c3t s GLN 49 Cb -0.22 -4.21 -0.15 0.00 1.00 0.00 0.00 33.01 29.42 1c3t s GLN 49 CO 0.01 -2.15 1.53 1.28 -2.12 0.00 0.00 175.29 173.84 1c3t n LEU 50 N 10.56 2.29 -4.45 2.90 4.77 -0.82 -4.93 117.00 127.32 1c3t n LEU 50 Ca 0.16 1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 56.81 1c3t n LEU 50 Cb 0.50 -1.25 -0.10 0.00 -2.33 0.00 0.00 43.42 40.23 1c3t n LEU 50 CO 0.71 -0.66 -0.11 -1.61 -1.33 0.00 0.00 177.39 174.39 1c3t s GLU 51 N 1.57 3.06 0.40 3.23 0.41 -1.26 -4.86 118.70 121.25 1c3t s GLU 51 Ca 0.87 -0.94 -0.21 0.00 -0.41 0.00 0.00 54.97 54.28 1c3t s GLU 51 Cb -0.89 -3.86 -0.15 0.00 -1.78 0.00 0.00 34.13 27.45 1c3t s GLU 51 CO 0.49 -0.66 0.08 -0.40 -0.49 0.00 0.00 175.26 174.28 1c3t n ASP 52 N 5.10 -2.89 0.00 -0.19 5.68 -1.26 -1.40 116.55 121.59 1c3t n ASP 52 Ca -0.12 0.80 0.00 0.00 -0.50 0.00 0.00 54.79 54.97 1c3t n ASP 52 Cb 0.47 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c3t n GLY 53 N 2.33 2.37 3.93 6.12 0.00 -1.26 -4.98 105.19 113.70 1c3t n GLY 53 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1c3t n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c3t s ARG 54 N -0.35 3.52 0.31 1.61 1.81 -0.49 -4.84 118.95 120.52 1c3t s ARG 54 Ca 0.00 -0.30 -0.01 0.00 -1.72 0.00 0.00 55.73 53.70 1c3t s ARG 54 Cb 0.00 -2.73 -0.04 0.00 -0.45 0.00 0.00 34.95 31.73 1c3t s ARG 54 CO 0.00 0.26 0.52 0.95 -0.68 0.00 0.00 175.30 176.35 1c3t s THR 55 N -2.11 5.10 0.43 0.02 -4.23 -1.26 -0.49 115.64 113.10 1c3t s THR 55 Ca 0.40 -0.32 0.09 0.00 -1.18 0.00 0.00 61.69 60.68 1c3t s THR 55 Cb -0.10 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.21 1c3t s THR 55 CO 0.32 -0.43 2.06 -0.07 -0.54 0.00 0.00 174.62 175.96 1c3t h LEU 56 N 1.21 0.40 -1.54 4.79 3.38 -0.43 0.00 115.31 123.13 1c3t h LEU 56 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1c3t h LEU 56 Cb 1.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1c3t h LEU 56 CO 0.64 0.29 0.00 -1.28 0.09 0.00 0.00 178.44 178.17 1c3t h SER 57 N 0.47 0.00 0.45 -0.43 0.87 -0.71 -2.35 113.55 111.85 1c3t h SER 57 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1c3t h SER 57 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1c3t h SER 57 CO -0.03 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.74 1c3t n ASP 58 N -3.06 0.00 -0.54 6.23 8.00 -0.01 -2.39 116.55 124.78 1c3t n ASP 58 Ca 0.00 0.28 0.06 0.00 0.71 0.00 0.00 54.79 55.85 1c3t n ASP 58 Cb 0.29 -0.40 0.19 0.00 -0.02 0.00 0.00 41.12 41.18 1c3t n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1c3t n TYR 59 N -1.40 0.14 -2.38 1.24 4.01 -0.89 -4.95 117.16 112.93 1c3t n TYR 59 Ca 0.06 -1.37 -0.10 0.00 -0.16 0.00 0.00 57.90 56.33 1c3t n TYR 59 Cb 0.17 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 38.94 1c3t n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1c3t n ASN 60 N -1.18 -3.38 -4.61 7.72 0.23 -1.00 -4.82 115.26 108.22 1c3t n ASN 60 Ca 0.20 0.25 -0.48 0.00 -0.53 0.00 0.00 54.58 54.01 1c3t n ASN 60 Cb 0.72 -2.92 -0.04 0.00 -2.08 0.00 0.00 39.78 35.46 1c3t n ASN 60 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1c3t n LEU 61 N -2.69 1.99 0.00 -4.53 7.99 -1.17 -4.98 117.00 113.60 1c3t n LEU 61 Ca -0.12 1.13 -0.06 0.00 -0.01 0.00 0.00 56.01 56.95 1c3t n LEU 61 Cb 0.58 -1.27 0.00 0.00 -0.11 0.00 0.00 43.42 42.62 1c3t n LEU 61 CO 0.14 -1.00 0.02 0.00 -1.51 0.00 0.00 177.39 175.04 1c3t n GLN 62 N 2.11 1.30 -3.00 3.23 6.02 -1.26 -4.91 117.38 120.87 1c3t n GLN 62 Ca 0.15 -0.81 -0.41 0.00 -0.01 0.00 0.00 57.00 55.92 1c3t n GLN 62 Cb 0.25 0.08 -0.05 0.00 1.02 0.00 0.00 30.24 31.54 1c3t n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1c3t s LYS 63 N -2.53 3.99 -0.05 -1.09 2.20 -1.26 -3.96 119.74 117.04 1c3t s LYS 63 Ca 0.07 0.55 -0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1c3t s LYS 63 Cb -0.01 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1c3t s LYS 63 CO 0.05 -0.61 0.04 0.39 -0.36 0.00 0.00 175.35 174.86 1c3t n GLU 64 N 6.05 -0.26 -2.29 4.03 1.02 0.59 -5.01 120.64 124.77 1c3t n GLU 64 Ca 0.02 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 1c3t n GLU 64 Cb 0.48 -2.62 -0.02 0.00 -0.02 0.00 0.00 31.44 29.26 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1c3t s SER 65 N -3.03 6.30 -0.47 1.62 0.01 -1.25 -4.71 113.70 112.16 1c3t s SER 65 Ca 0.01 1.69 -0.03 0.00 1.31 0.00 0.00 55.95 58.93 1c3t s SER 65 Cb -0.00 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.83 1c3t s SER 65 CO 0.03 -0.81 0.28 -0.89 0.41 0.00 0.00 173.24 172.25 1c3t s THR 66 N -2.51 3.42 0.00 1.44 2.01 -1.26 -1.03 115.64 117.71 1c3t s THR 66 Ca 0.61 -2.34 -0.05 0.00 0.31 0.00 0.00 61.69 60.22 1c3t s THR 66 Cb -0.13 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1c3t s THR 66 CO 0.32 -0.75 0.24 -0.63 -0.69 0.00 0.00 174.62 173.11 1c3t s ILE 67 N 0.77 5.34 -0.35 1.82 1.01 -0.95 -4.26 121.20 124.59 1c3t s ILE 67 Ca 0.11 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 1c3t s ILE 67 Cb -0.22 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 1c3t s ILE 67 CO -0.04 0.36 0.22 -1.00 0.00 0.00 0.00 174.94 174.48 1c3t s HIS 68 N -1.30 3.22 -0.32 3.97 3.76 -1.25 -2.17 115.29 121.20 1c3t s HIS 68 Ca 0.27 -0.48 -0.18 0.00 -0.15 0.00 0.00 55.06 54.52 1c3t s HIS 68 Cb -0.13 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 1c3t s HIS 68 CO 0.16 -0.47 0.52 -1.17 -0.85 0.00 0.00 174.74 172.93 1c3t s LEU 69 N 1.66 4.22 0.09 0.89 2.96 -0.65 -1.09 118.68 126.75 1c3t s LEU 69 Ca 0.05 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.23 1c3t s LEU 69 Cb -0.18 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 1c3t s LEU 69 CO 0.09 -0.41 -0.20 0.68 -1.32 0.00 0.00 176.35 175.19 1c3t s VAL 70 N 2.38 1.63 0.57 1.68 -7.23 0.48 -3.69 120.40 116.23 1c3t s VAL 70 Ca 0.20 -1.45 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 1c3t s VAL 70 Cb -0.15 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 1c3t s VAL 70 CO 0.12 -0.03 1.02 -0.76 -0.31 0.00 0.00 175.10 175.14 1c3t s LEU 71 N -1.75 3.46 0.35 1.32 1.02 -1.26 0.29 118.68 122.11 1c3t s LEU 71 Ca 0.06 1.59 -0.21 0.00 0.02 0.00 0.00 54.13 55.59 1c3t s LEU 71 Cb -0.10 -4.50 -0.10 0.00 0.02 0.00 0.00 46.19 41.51 1c3t s LEU 71 CO 0.04 -0.86 0.86 -0.60 0.02 0.00 0.00 176.35 175.81 1c3t s ARG 72 N -4.43 4.26 0.32 1.70 3.52 -1.25 -4.82 118.95 118.25 1c3t s ARG 72 Ca 0.59 1.02 -0.20 0.00 -0.13 0.00 0.00 55.73 57.01 1c3t s ARG 72 Cb -0.12 -2.50 -0.09 0.00 -1.56 0.00 0.00 34.95 30.68 1c3t s ARG 72 CO 0.40 0.15 0.82 -0.51 -0.81 0.00 0.00 175.30 175.35 1c3t s LEU 73 N -2.68 4.17 -0.08 -0.88 1.43 -1.26 -4.98 118.68 114.41 1c3t s LEU 73 Ca 0.54 1.51 0.13 0.00 -1.03 0.00 0.00 54.13 55.28 1c3t s LEU 73 Cb -0.13 -4.03 0.39 0.00 0.03 0.00 0.00 46.19 42.45 1c3t s LEU 73 CO 0.18 -0.15 1.31 -1.14 0.23 0.00 0.00 176.35 176.79 1c3t n ARG 74 N 0.06 2.88 -0.13 1.70 0.63 -1.26 -5.07 116.66 115.46 1c3t n ARG 74 Ca 0.02 -2.37 0.00 0.00 -0.92 0.00 0.00 57.85 54.58 1c3t n ARG 74 Cb 0.52 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.93 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1c3t n GLY 75 N 0.02 0.86 3.91 5.14 0.00 -1.26 -5.37 105.19 108.48 1c3t n GLY 75 Ca 0.15 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93