#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 3.02 -0.11 3.17 0.74 -1.26 0.20 119.66 125.42 1c3t s GLN 2 Ca 0.00 -1.47 -0.08 0.00 0.05 0.00 0.00 55.36 53.87 1c3t s GLN 2 Cb 0.00 -4.25 -0.04 0.00 1.10 0.00 0.00 33.01 29.82 1c3t s GLN 2 CO 0.00 -1.35 0.17 -0.51 -0.55 0.00 0.00 175.29 173.05 1c3t s LEU 3 N 2.05 4.40 -0.16 3.68 1.43 -0.20 -2.76 118.68 127.12 1c3t s LEU 3 Ca 0.07 0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1c3t s LEU 3 Cb -0.26 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1c3t s LEU 3 CO 0.05 0.40 0.16 -0.36 0.23 0.00 0.00 176.35 176.83 1c3t s PHE 4 N -1.04 3.49 -0.37 0.29 0.08 -0.45 -1.82 117.98 118.17 1c3t s PHE 4 Ca 0.16 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1c3t s PHE 4 Cb -0.12 -2.11 0.10 0.00 -0.57 0.00 0.00 43.02 40.32 1c3t s PHE 4 CO 0.05 0.45 0.11 0.08 -0.10 0.00 0.00 175.22 175.81 1c3t s VAL 5 N -0.14 2.80 0.53 -0.44 1.01 0.58 -2.10 120.40 122.64 1c3t s VAL 5 Ca 0.12 -2.10 0.08 0.00 0.00 0.00 0.00 61.98 60.07 1c3t s VAL 5 Cb -0.12 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.38 1c3t s VAL 5 CO 0.01 -0.58 0.73 -1.59 0.00 0.00 0.00 175.10 173.67 1c3t s LYS 6 N 1.05 2.45 0.00 2.72 -2.85 -0.17 -0.81 119.74 122.13 1c3t s LYS 6 Ca 0.08 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1c3t s LYS 6 Cb -0.21 -2.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 1c3t s LYS 6 CO -0.06 -0.70 0.00 0.25 0.10 0.00 0.00 175.35 174.95 1c3t n THR 7 N -2.16 0.00 0.17 3.79 -2.24 -1.06 -0.40 114.28 112.38 1c3t n THR 7 Ca 0.12 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 1c3t n THR 7 Cb 0.60 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1c3t n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1c3t h LEU 8 N 0.00 0.00 -0.16 3.22 3.38 -1.90 -3.28 115.31 116.57 1c3t h LEU 8 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1c3t h LEU 8 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1c3t h LEU 8 CO 0.00 0.01 -0.42 0.35 0.09 0.00 0.00 178.44 178.47 1c3t n THR 9 N -2.72 0.00 0.00 0.22 -2.24 -1.26 -4.96 114.28 103.32 1c3t n THR 9 Ca 0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1c3t n THR 9 Cb 0.54 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.45 3.10 3.53 3.38 0.00 -1.24 -5.03 105.19 110.38 1c3t n GLY 10 Ca 0.08 -0.93 -0.63 0.00 0.00 0.00 0.00 46.02 44.53 1c3t n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1c3t n LYS 11 N 0.00 0.10 -4.53 1.61 0.00 -1.26 -4.37 118.16 109.71 1c3t n LYS 11 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 58.31 58.05 1c3t n LYS 11 Cb 0.00 -1.57 -0.17 0.00 0.00 0.00 0.00 35.03 33.30 1c3t n LYS 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1c3t s THR 12 N 4.42 1.67 0.07 3.15 2.01 -1.26 -2.56 115.64 123.14 1c3t s THR 12 Ca 1.11 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1c3t s THR 12 Cb -1.45 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1c3t s THR 12 CO 0.73 0.47 0.14 -1.48 -0.69 0.00 0.00 174.62 173.80 1c3t s LEU 13 N 0.93 4.07 -0.17 4.42 0.05 0.01 -4.89 118.68 123.10 1c3t s LEU 13 Ca -0.07 0.13 -0.04 0.00 0.05 0.00 0.00 54.13 54.20 1c3t s LEU 13 Cb -0.15 -2.70 -0.03 0.00 -2.05 0.00 0.00 46.19 41.26 1c3t s LEU 13 CO -0.02 0.18 -0.02 -0.89 -0.55 0.00 0.00 176.35 175.05 1c3t s THR 14 N -1.44 3.98 0.13 5.48 2.01 -1.26 -0.31 115.64 124.23 1c3t s THR 14 Ca 0.32 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1c3t s THR 14 Cb -0.13 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1c3t s THR 14 CO 0.25 0.48 -0.10 0.68 -0.69 0.00 0.00 174.62 175.23 1c3t s VAL 15 N 0.50 1.08 -0.21 3.82 -7.23 -0.76 -5.02 120.40 112.58 1c3t s VAL 15 Ca -0.02 -1.93 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1c3t s VAL 15 Cb -0.14 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.13 1c3t s VAL 15 CO 0.02 -0.69 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.38 1c3t s GLU 16 N -3.46 2.93 0.17 4.82 2.02 -1.26 -1.03 118.70 122.89 1c3t s GLU 16 Ca 0.13 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.26 1c3t s GLU 16 Cb 0.01 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 1c3t s GLU 16 CO 0.00 -0.29 0.11 1.28 0.02 0.00 0.00 175.26 176.38 1c3t n LEU 17 N 4.64 0.00 -4.22 1.80 4.77 0.13 -4.89 117.00 119.23 1c3t n LEU 17 Ca -0.19 -1.53 -0.19 0.00 -0.03 0.00 0.00 56.01 54.08 1c3t n LEU 17 Cb 0.49 0.70 -0.12 0.00 -2.33 0.00 0.00 43.42 42.16 1c3t n LEU 17 CO 0.26 -0.25 -0.46 -1.61 -1.33 0.00 0.00 177.39 174.00 1c3t s GLU 18 N -2.69 0.95 0.64 3.23 0.41 -1.26 0.21 118.70 120.18 1c3t s GLU 18 Ca 0.16 -1.11 0.25 0.00 -0.41 0.00 0.00 54.97 53.86 1c3t s GLU 18 Cb 0.01 -0.94 1.27 0.00 -1.78 0.00 0.00 34.13 32.69 1c3t s GLU 18 CO 0.11 0.20 1.72 -1.35 -0.49 0.00 0.00 175.26 175.45 1c3t h PRO 19 N 3.92 0.00 0.24 0.39 0.11 -1.96 0.28 132.00 134.98 1c3t h PRO 19 Ca -0.41 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.36 1c3t h PRO 19 Cb 1.19 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.34 1c3t h PRO 19 CO 0.45 0.00 -1.49 0.66 -0.21 0.00 0.00 178.00 177.40 1c3t h SER 20 N 0.00 0.79 -2.16 -2.05 4.64 -1.96 -1.38 113.55 111.42 1c3t h SER 20 Ca 0.10 -0.88 -0.59 0.00 -0.47 0.00 0.00 61.79 59.96 1c3t h SER 20 Cb 1.21 -0.26 0.19 0.00 -0.31 0.00 0.00 62.40 63.23 1c3t h SER 20 CO -0.00 1.69 -1.15 0.47 -0.87 0.00 0.00 176.83 176.97 1c3t n ASP 21 N -3.69 -3.66 -4.75 4.97 8.00 0.98 -4.42 116.55 113.99 1c3t n ASP 21 Ca -0.17 0.58 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 1c3t n ASP 21 Cb 1.10 -0.89 -0.07 0.00 -0.02 0.00 0.00 41.12 41.24 1c3t n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c3t s THR 22 N -1.97 2.25 0.28 -3.53 -4.23 -1.26 -1.01 115.64 106.17 1c3t s THR 22 Ca 0.56 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 1c3t s THR 22 Cb -0.43 -2.94 0.29 0.00 1.34 0.00 0.00 72.50 70.75 1c3t s THR 22 CO 0.67 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 177.01 1c3t h VAL 23 N 1.39 0.44 -0.70 2.29 2.07 -1.68 0.24 116.25 120.30 1c3t h VAL 23 Ca -0.43 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.09 1c3t h VAL 23 Cb 1.26 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 1c3t h VAL 23 CO 0.69 0.06 0.31 -0.33 0.02 0.00 0.00 177.57 178.33 1c3t h GLU 24 N 0.33 0.51 0.38 1.57 5.08 -1.92 -1.05 114.58 119.47 1c3t h GLU 24 Ca 0.54 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1c3t h GLU 24 Cb 1.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1c3t h GLU 24 CO -0.56 0.34 -0.23 -0.91 -1.00 0.00 0.00 179.01 176.65 1c3t h ASN 25 N 0.52 -0.57 -0.25 1.42 4.21 -0.93 0.37 115.58 120.36 1c3t h ASN 25 Ca 0.36 0.03 0.06 0.00 1.21 0.00 0.00 56.30 57.96 1c3t h ASN 25 Cb 0.43 0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 37.72 1c3t h ASN 25 CO -0.31 -0.37 -0.33 0.25 -1.29 0.00 0.00 177.43 175.39 1c3t h LEU 26 N -0.58 -1.05 -0.73 1.61 5.85 -0.94 -0.74 115.31 118.73 1c3t h LEU 26 Ca -0.04 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1c3t h LEU 26 Cb 0.47 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1c3t h LEU 26 CO 0.05 -0.34 0.47 0.11 -0.34 0.00 0.00 178.44 178.38 1c3t h LYS 27 N -0.33 0.90 -1.02 1.25 1.57 -1.07 -1.51 116.57 116.36 1c3t h LYS 27 Ca 0.13 -0.05 0.25 0.00 -1.87 0.00 0.00 60.65 59.11 1c3t h LYS 27 Cb 0.54 -0.20 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 1c3t h LYS 27 CO -0.44 0.60 0.65 0.00 -0.57 0.00 0.00 179.45 179.70 1c3t h ALA 28 N 1.30 2.16 -0.07 3.86 0.00 0.12 0.10 119.26 126.72 1c3t h ALA 28 Ca 0.28 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1c3t h ALA 28 Cb -0.03 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1c3t h ALA 28 CO -0.09 -0.55 -0.44 0.87 0.00 0.00 0.00 179.25 179.04 1c3t h LYS 29 N 0.44 0.42 -0.22 0.00 1.79 -0.45 -2.66 116.57 115.89 1c3t h LYS 29 Ca 0.58 -0.36 0.06 0.00 -2.18 0.00 0.00 60.65 58.75 1c3t h LYS 29 Cb 1.41 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.12 1c3t h LYS 29 CO -0.30 1.00 0.16 0.82 -1.08 0.00 0.00 179.45 180.05 1c3t h ILE 30 N -0.04 0.91 0.00 1.86 2.04 -0.40 0.15 117.51 122.03 1c3t h ILE 30 Ca -0.03 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 1c3t h ILE 30 Cb 1.10 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1c3t h ILE 30 CO 0.09 0.01 -0.73 -0.61 0.00 0.00 0.00 178.15 176.90 1c3t h GLN 31 N 0.04 0.00 -0.00 2.37 4.15 -0.90 0.52 115.11 121.28 1c3t h GLN 31 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1c3t h GLN 31 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1c3t h GLN 31 CO -0.01 0.60 -0.39 -3.47 -1.93 0.00 0.00 178.83 173.64 1c3t n ASP 32 N -3.22 0.74 0.00 -0.69 2.03 -0.10 -2.46 116.55 112.86 1c3t n ASP 32 Ca 0.00 -0.54 -0.02 0.00 0.52 0.00 0.00 54.79 54.75 1c3t n ASP 32 Cb 0.80 0.20 -0.01 0.00 -0.72 0.00 0.00 41.12 41.40 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1c3t n LYS 33 N -1.12 0.04 -0.53 -0.67 5.02 0.33 -4.76 118.16 116.48 1c3t n LYS 33 Ca 0.09 0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.48 1c3t n LYS 33 Cb 0.34 -0.57 0.32 0.00 -0.02 0.00 0.00 35.03 35.10 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 -3.23 3.49 -2.92 1.97 4.71 0.18 -4.94 120.64 119.90 1c3t n GLU 34 Ca -0.03 -2.77 -0.14 0.00 -0.01 0.00 0.00 57.16 54.20 1c3t n GLU 34 Cb 0.39 -1.79 -0.01 0.00 -1.01 0.00 0.00 31.44 29.02 1c3t n GLU 34 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1c3t n GLY 35 N 0.95 -0.49 3.67 0.62 0.00 -0.76 -4.86 105.19 104.34 1c3t n GLY 35 Ca 0.24 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.54 5.32 0.29 -0.61 1.01 -0.95 -4.88 121.20 118.83 1c3t s ILE 36 Ca 0.19 0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.91 1c3t s ILE 36 Cb -0.10 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 1c3t s ILE 36 CO 0.23 0.33 0.95 -2.16 0.00 0.00 0.00 174.94 174.29 1c3t s PRO 37 N 1.03 4.69 0.62 2.79 0.04 -1.26 -2.77 135.00 140.13 1c3t s PRO 37 Ca 0.11 1.40 0.35 0.00 0.04 0.00 0.00 61.00 62.90 1c3t s PRO 37 Cb -0.14 -2.99 2.02 0.00 0.04 0.00 0.00 34.50 33.44 1c3t s PRO 37 CO 0.05 0.37 2.28 -1.35 0.04 0.00 0.00 177.00 178.39 1c3t h PRO 38 N 3.55 0.00 0.00 0.56 0.11 -1.94 -1.07 132.00 133.21 1c3t h PRO 38 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1c3t h PRO 38 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1c3t h PRO 38 CO 0.66 0.00 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.96 1c3t h ASP 39 N 0.00 0.00 0.00 -2.05 3.32 -2.01 -2.64 116.42 113.03 1c3t h ASP 39 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1c3t h ASP 39 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1c3t h ASP 39 CO -0.00 0.05 -0.20 0.00 -1.72 0.00 0.00 179.24 177.36 1c3t n GLN 40 N -3.31 0.92 -3.39 3.56 6.02 -0.44 -5.00 117.38 115.74 1c3t n GLN 40 Ca -0.01 -2.19 -0.38 0.00 -0.01 0.00 0.00 57.00 54.40 1c3t n GLN 40 Cb 0.20 -1.19 -0.08 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.05 4.12 -0.53 -1.09 -0.21 -1.00 -3.00 119.66 115.91 1c3t s GLN 41 Ca 0.24 0.14 -0.03 0.00 0.02 0.00 0.00 55.36 55.74 1c3t s GLN 41 Cb 0.22 -3.57 0.14 0.00 1.00 0.00 0.00 33.01 30.79 1c3t s GLN 41 CO 0.01 -0.12 0.34 0.50 -2.12 0.00 0.00 175.29 173.90 1c3t s ARG 42 N 1.56 2.32 -0.33 2.91 6.06 -0.27 -4.94 118.95 126.26 1c3t s ARG 42 Ca 0.18 -2.24 -0.21 0.00 -2.50 0.00 0.00 55.73 50.95 1c3t s ARG 42 Cb -0.15 -3.66 -0.00 0.00 0.06 0.00 0.00 34.95 31.19 1c3t s ARG 42 CO 0.08 -1.13 0.66 -0.51 -2.50 0.00 0.00 175.30 171.91 1c3t s LEU 43 N 0.43 4.18 -0.12 -0.88 1.43 -1.26 0.04 118.68 122.50 1c3t s LEU 43 Ca 0.13 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1c3t s LEU 43 Cb -0.21 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.17 1c3t s LEU 43 CO -0.04 -0.57 -0.14 -0.63 0.23 0.00 0.00 176.35 175.21 1c3t s ILE 44 N 2.74 1.43 -0.09 -0.59 1.01 0.22 -1.19 121.20 124.72 1c3t s ILE 44 Ca 0.26 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1c3t s ILE 44 Cb -0.14 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.01 1c3t s ILE 44 CO 0.14 0.43 -0.14 0.12 0.00 0.00 0.00 174.94 175.49 1c3t s PHE 45 N 1.22 1.74 -1.63 3.97 5.36 -0.13 -0.31 117.98 128.20 1c3t s PHE 45 Ca -0.02 -0.76 -0.14 0.00 -0.96 0.00 0.00 56.93 55.05 1c3t s PHE 45 Cb -0.14 -1.28 0.12 0.00 -0.34 0.00 0.00 43.02 41.38 1c3t s PHE 45 CO -0.05 -0.40 0.72 0.00 -1.46 0.00 0.00 175.22 174.03 1c3t n ALA 46 N 4.11 -1.42 -2.42 11.12 0.00 -1.26 0.24 120.51 130.87 1c3t n ALA 46 Ca -0.20 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1c3t n ALA 46 Cb 0.51 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 -0.10 2.68 0.00 0.00 -1.26 -5.01 105.19 99.95 1c3t n GLY 47 Ca -0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.85 0.14 0.23 1.61 1.02 0.14 -5.13 119.74 112.88 1c3t s LYS 48 Ca 0.07 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 1c3t s LYS 48 Cb -0.03 -1.46 -0.09 0.00 -0.52 0.00 0.00 37.83 35.73 1c3t s LYS 48 CO 0.09 -0.68 1.17 -1.14 -0.92 0.00 0.00 175.35 173.87 1c3t s GLN 49 N 2.24 4.54 0.55 1.68 0.74 -1.26 -0.95 119.66 127.19 1c3t s GLN 49 Ca 0.05 1.87 -0.17 0.00 0.05 0.00 0.00 55.36 57.16 1c3t s GLN 49 Cb -0.16 -3.21 -0.06 0.00 1.10 0.00 0.00 33.01 30.68 1c3t s GLN 49 CO -0.12 0.01 1.03 -0.51 -0.55 0.00 0.00 175.29 175.15 1c3t s LEU 50 N -0.75 3.59 -0.22 3.68 1.43 -0.34 -4.95 118.68 121.12 1c3t s LEU 50 Ca 0.50 1.73 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 1c3t s LEU 50 Cb -0.33 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.37 1c3t s LEU 50 CO 0.39 -0.89 -0.07 -1.61 0.23 0.00 0.00 176.35 174.40 1c3t s GLU 51 N -3.98 3.22 -0.54 1.70 2.02 -1.26 -4.85 118.70 115.01 1c3t s GLU 51 Ca 0.62 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 1c3t s GLU 51 Cb -0.13 -2.94 -0.11 0.00 0.10 0.00 0.00 34.13 31.04 1c3t s GLU 51 CO 0.33 -0.24 2.41 -0.40 0.02 0.00 0.00 175.26 177.38 1c3t n ASP 52 N 4.75 1.89 0.00 -0.19 5.75 -1.26 -1.84 116.55 125.65 1c3t n ASP 52 Ca -0.18 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 1c3t n ASP 52 Cb 0.50 -1.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.24 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c3t n GLY 53 N 6.25 0.59 3.94 6.12 0.00 -1.26 -5.00 105.19 115.83 1c3t n GLY 53 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 2.76 0.39 1.61 1.81 -0.77 -4.95 118.95 119.81 1c3t s ARG 54 Ca 0.00 -1.31 0.04 0.00 -1.72 0.00 0.00 55.73 52.74 1c3t s ARG 54 Cb 0.00 -2.60 -0.01 0.00 -0.45 0.00 0.00 34.95 31.90 1c3t s ARG 54 CO 0.00 -0.13 0.57 0.95 -0.68 0.00 0.00 175.30 176.01 1c3t s THR 55 N -2.35 4.02 0.19 0.02 -4.23 -1.26 -1.94 115.64 110.07 1c3t s THR 55 Ca 0.49 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1c3t s THR 55 Cb -0.07 -3.43 0.03 0.00 1.34 0.00 0.00 72.50 70.37 1c3t s THR 55 CO 0.30 -0.23 1.60 -0.07 -0.54 0.00 0.00 174.62 175.68 1c3t h LEU 56 N 0.65 0.93 -0.56 4.79 3.38 -1.08 -3.08 115.31 120.35 1c3t h LEU 56 Ca -0.46 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.25 1c3t h LEU 56 Cb 1.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1c3t h LEU 56 CO 0.55 1.09 0.25 -1.28 0.09 0.00 0.00 178.44 179.14 1c3t h SER 57 N 0.81 0.32 -1.09 -0.43 0.87 -1.51 -0.64 113.55 111.88 1c3t h SER 57 Ca 0.12 0.05 0.32 0.00 -1.23 0.00 0.00 61.79 61.04 1c3t h SER 57 Cb 0.72 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1c3t h SER 57 CO 0.06 0.21 0.85 0.44 -0.53 0.00 0.00 176.83 177.85 1c3t h ASP 58 N 0.47 0.00 -0.53 6.23 3.32 -1.82 1.68 116.42 125.77 1c3t h ASP 58 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1c3t h ASP 58 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1c3t h ASP 58 CO -0.23 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.07 1c3t n TYR 59 N -4.01 1.89 -4.16 4.55 4.01 -0.26 -4.92 117.16 114.26 1c3t n TYR 59 Ca 0.23 -0.66 -0.31 0.00 -0.16 0.00 0.00 57.90 57.00 1c3t n TYR 59 Cb 1.21 -0.47 -0.04 0.00 -0.31 0.00 0.00 39.34 39.72 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 0.59 -1.22 -4.64 7.72 6.94 0.57 -4.86 115.26 120.36 1c3t n ASN 60 Ca 0.25 -1.08 -0.43 0.00 -0.02 0.00 0.00 54.58 53.31 1c3t n ASN 60 Cb 1.11 -2.58 -0.02 0.00 -2.36 0.00 0.00 39.78 35.93 1c3t n ASN 60 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1c3t s LEU 61 N -7.17 4.00 0.52 -4.53 1.43 -1.14 -5.03 118.68 106.77 1c3t s LEU 61 Ca 0.32 1.29 0.07 0.00 -1.03 0.00 0.00 54.13 54.78 1c3t s LEU 61 Cb -0.17 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.56 1c3t s LEU 61 CO 0.93 -0.88 0.72 -1.10 0.23 0.00 0.00 176.35 176.25 1c3t s GLN 62 N 3.71 2.49 -0.09 1.70 -1.52 -1.26 -4.81 119.66 119.89 1c3t s GLN 62 Ca 0.51 -1.31 -0.30 0.00 -1.95 0.00 0.00 55.36 52.31 1c3t s GLN 62 Cb -0.16 -2.64 -0.05 0.00 -0.22 0.00 0.00 33.01 29.94 1c3t s GLN 62 CO 0.16 -0.65 1.58 0.21 -0.25 0.00 0.00 175.29 176.34 1c3t s LYS 63 N -4.59 4.16 0.00 2.91 2.20 -1.26 -4.02 119.74 119.13 1c3t s LYS 63 Ca 0.59 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1c3t s LYS 63 Cb -0.08 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1c3t s LYS 63 CO 0.37 -0.86 0.00 0.39 -0.36 0.00 0.00 175.35 174.89 1c3t n GLU 64 N 7.08 0.00 -4.82 4.03 -0.58 -1.11 -4.99 120.64 120.24 1c3t n GLU 64 Ca 0.17 0.39 -0.29 0.00 -0.42 0.00 0.00 57.16 57.01 1c3t n GLU 64 Cb 0.43 -1.18 -0.14 0.00 -0.57 0.00 0.00 31.44 29.98 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1c3t s SER 65 N -1.08 2.98 -0.69 1.62 0.01 -1.26 -4.95 113.70 110.34 1c3t s SER 65 Ca 0.00 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 1c3t s SER 65 Cb 0.00 -0.26 0.18 0.00 0.21 0.00 0.00 66.02 66.15 1c3t s SER 65 CO 0.00 0.23 0.60 -0.89 0.41 0.00 0.00 173.24 173.59 1c3t s THR 66 N -0.81 5.02 -0.00 1.44 2.01 -1.26 -1.34 115.64 120.69 1c3t s THR 66 Ca 0.11 -2.28 -0.12 0.00 0.31 0.00 0.00 61.69 59.71 1c3t s THR 66 Cb -0.10 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1c3t s THR 66 CO 0.02 -0.94 0.35 -0.63 -0.69 0.00 0.00 174.62 172.73 1c3t s ILE 67 N 0.55 5.15 -0.30 1.82 1.09 -0.89 -4.78 121.20 123.83 1c3t s ILE 67 Ca 0.13 0.60 -0.15 0.00 -1.10 0.00 0.00 60.65 60.13 1c3t s ILE 67 Cb -0.18 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.57 1c3t s ILE 67 CO -0.05 0.51 0.39 -1.00 -0.10 0.00 0.00 174.94 174.70 1c3t s HIS 68 N -1.15 3.22 -0.31 3.97 3.76 0.58 -1.00 115.29 124.36 1c3t s HIS 68 Ca 0.24 0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 55.29 1c3t s HIS 68 Cb -0.15 -2.66 -0.01 0.00 1.11 0.00 0.00 32.58 30.88 1c3t s HIS 68 CO 0.13 -0.34 0.16 -1.17 -0.85 0.00 0.00 174.74 172.66 1c3t s LEU 69 N 2.10 4.14 0.16 0.89 2.96 0.46 -0.61 118.68 128.79 1c3t s LEU 69 Ca 0.14 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1c3t s LEU 69 Cb -0.16 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1c3t s LEU 69 CO 0.11 -0.20 0.19 -0.69 -1.32 0.00 0.00 176.35 174.43 1c3t s VAL 70 N 1.61 4.77 -0.38 1.68 1.01 0.11 -4.51 120.40 124.69 1c3t s VAL 70 Ca 0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1c3t s VAL 70 Cb -0.17 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1c3t s VAL 70 CO 0.06 -0.10 0.24 -0.22 0.00 0.00 0.00 175.10 175.08 1c3t s LEU 71 N -3.15 4.78 -0.87 3.92 1.98 -1.26 -1.11 118.68 122.97 1c3t s LEU 71 Ca 0.32 -0.86 -0.34 0.00 -2.89 0.00 0.00 54.13 50.37 1c3t s LEU 71 Cb -0.10 -2.08 -0.21 0.00 0.66 0.00 0.00 46.19 44.46 1c3t s LEU 71 CO 0.25 -0.37 2.57 -1.14 -1.89 0.00 0.00 176.35 175.76 1c3t n ARG 72 N 5.06 0.04 0.13 1.98 0.63 -1.16 -4.72 116.66 118.62 1c3t n ARG 72 Ca -0.12 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.94 1c3t n ARG 72 Cb 0.47 -1.56 0.48 0.00 0.45 0.00 0.00 32.46 32.30 1c3t n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1c3t n LEU 73 N 10.00 0.69 0.00 6.15 4.77 -1.26 -4.93 117.00 132.43 1c3t n LEU 73 Ca 0.63 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1c3t n LEU 73 Cb 0.03 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1c3t n LEU 73 CO 0.92 -0.51 0.00 0.54 -1.33 0.00 0.00 177.39 177.01 1c3t n ARG 74 N -2.25 0.00 -0.18 3.23 1.74 -1.26 -4.91 116.66 113.04 1c3t n ARG 74 Ca 0.03 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.16 1c3t n ARG 74 Cb 0.26 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 31.84 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c3t n GLY 75 N 0.00 3.59 2.43 -0.13 0.00 -1.26 -5.20 105.19 104.61 1c3t n GLY 75 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93