#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 3.72 0.01 2.12 -0.21 -1.26 -1.48 119.66 122.56 1c3t s GLN 2 Ca 0.00 0.96 0.00 0.00 0.02 0.00 0.00 55.36 56.34 1c3t s GLN 2 Cb 0.00 -2.10 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 1c3t s GLN 2 CO 0.00 -0.46 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.18 1c3t s LEU 3 N -4.43 2.08 -0.29 2.90 1.43 -0.26 -0.38 118.68 119.73 1c3t s LEU 3 Ca 0.59 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1c3t s LEU 3 Cb -0.11 -0.00 0.02 0.00 0.03 0.00 0.00 46.19 46.13 1c3t s LEU 3 CO 0.38 -0.09 0.03 -0.36 0.23 0.00 0.00 176.35 176.54 1c3t s PHE 4 N -0.47 3.15 -0.26 0.29 0.40 0.82 -1.86 117.98 120.05 1c3t s PHE 4 Ca -0.05 -1.34 -0.08 0.00 -0.60 0.00 0.00 56.93 54.86 1c3t s PHE 4 Cb -0.03 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 1c3t s PHE 4 CO -0.00 -0.68 0.10 0.08 0.70 0.00 0.00 175.22 175.43 1c3t s VAL 5 N 1.40 4.61 -0.02 -0.44 1.01 0.13 -2.43 120.40 124.65 1c3t s VAL 5 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1c3t s VAL 5 Cb -0.18 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1c3t s VAL 5 CO -0.00 0.32 0.14 -1.59 0.00 0.00 0.00 175.10 173.96 1c3t s LYS 6 N 1.64 3.29 0.37 2.72 0.00 -0.90 -0.14 119.74 126.71 1c3t s LYS 6 Ca 0.06 -0.37 0.08 0.00 0.00 0.00 0.00 55.97 55.75 1c3t s LYS 6 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 37.83 34.63 1c3t s LYS 6 CO 0.06 0.68 0.23 0.95 0.00 0.00 0.00 175.35 177.27 1c3t s THR 7 N -1.23 2.86 0.66 3.79 -4.23 -1.03 -0.85 115.64 115.62 1c3t s THR 7 Ca 0.24 -1.55 0.41 0.00 -1.18 0.00 0.00 61.69 59.61 1c3t s THR 7 Cb -0.12 -3.02 0.42 0.00 1.34 0.00 0.00 72.50 71.11 1c3t s THR 7 CO 0.15 -0.10 2.29 -0.07 -0.54 0.00 0.00 174.62 176.35 1c3t h LEU 8 N 1.34 0.00 -1.32 4.79 4.07 -1.91 0.32 115.31 122.60 1c3t h LEU 8 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1c3t h LEU 8 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1c3t h LEU 8 CO 0.62 0.00 -0.09 0.35 -1.08 0.00 0.00 178.44 178.24 1c3t n THR 9 N -3.10 0.00 0.00 0.22 -2.24 -1.26 -4.95 114.28 102.95 1c3t n THR 9 Ca -0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1c3t n THR 9 Cb 0.13 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.30 2.93 3.49 3.38 0.00 0.11 -4.99 105.19 111.41 1c3t n GLY 10 Ca 0.15 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 0.12 -3.63 1.61 3.00 -1.26 -4.22 118.16 113.78 1c3t n LYS 11 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.94 1c3t n LYS 11 Cb 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 35.03 33.21 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 9.16 5.15 0.08 3.15 2.01 -1.26 -2.46 115.64 131.47 1c3t s THR 12 Ca 1.31 0.11 0.05 0.00 0.31 0.00 0.00 61.69 63.48 1c3t s THR 12 Cb -1.16 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1c3t s THR 12 CO 0.48 0.28 -0.04 -1.48 -0.69 0.00 0.00 174.62 173.17 1c3t s LEU 13 N 1.64 3.31 0.09 4.42 0.05 0.80 -4.89 118.68 124.08 1c3t s LEU 13 Ca 0.07 -0.22 0.10 0.00 0.05 0.00 0.00 54.13 54.12 1c3t s LEU 13 Cb -0.16 -2.03 -0.03 0.00 -2.05 0.00 0.00 46.19 41.92 1c3t s LEU 13 CO 0.09 0.20 -0.26 -0.89 -0.55 0.00 0.00 176.35 174.94 1c3t s THR 14 N -1.23 2.28 0.31 5.48 2.01 -1.26 0.19 115.64 123.42 1c3t s THR 14 Ca 0.23 -1.54 -0.06 0.00 0.31 0.00 0.00 61.69 60.63 1c3t s THR 14 Cb -0.11 -1.96 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 1c3t s THR 14 CO 0.15 0.23 0.46 0.68 -0.69 0.00 0.00 174.62 175.45 1c3t s VAL 15 N -0.94 0.00 -0.18 3.82 -7.23 -0.78 -4.96 120.40 110.13 1c3t s VAL 15 Ca 0.13 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1c3t s VAL 15 Cb -0.10 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.32 1c3t s VAL 15 CO 0.04 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.07 1c3t s GLU 16 N -3.37 3.13 0.12 4.82 2.02 -1.26 -1.10 118.70 123.05 1c3t s GLU 16 Ca 0.29 -0.77 -0.12 0.00 0.02 0.00 0.00 54.97 54.38 1c3t s GLU 16 Cb -0.00 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1c3t s GLU 16 CO 0.16 -0.13 0.30 -1.17 0.02 0.00 0.00 175.26 174.44 1c3t s LEU 17 N 1.16 0.90 0.19 1.80 2.96 -0.55 -4.97 118.68 120.16 1c3t s LEU 17 Ca 0.01 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1c3t s LEU 17 Cb -0.14 1.43 -0.03 0.00 0.50 0.00 0.00 46.19 47.95 1c3t s LEU 17 CO -0.07 -0.81 0.33 -1.61 -1.32 0.00 0.00 176.35 172.87 1c3t s GLU 18 N -3.85 3.46 0.60 1.98 2.02 -1.26 -3.13 118.70 118.52 1c3t s GLU 18 Ca 0.05 -0.58 0.38 0.00 0.02 0.00 0.00 54.97 54.84 1c3t s GLU 18 Cb 0.03 -2.91 1.91 0.00 0.10 0.00 0.00 34.13 33.25 1c3t s GLU 18 CO -0.10 0.46 2.19 -1.00 0.02 0.00 0.00 175.26 176.84 1c3t h PRO 19 N 1.83 0.00 0.00 0.39 0.13 -1.97 -1.54 132.00 130.84 1c3t h PRO 19 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1c3t h PRO 19 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c3t h PRO 19 CO 0.66 0.02 0.00 0.66 -0.23 0.00 0.00 178.00 179.11 1c3t h SER 20 N 0.00 0.00 -4.26 1.44 4.64 -1.97 -2.50 113.55 110.90 1c3t h SER 20 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1c3t h SER 20 Cb 0.23 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.48 1c3t h SER 20 CO 0.00 0.00 0.27 -1.81 -0.87 0.00 0.00 176.83 174.42 1c3t s ASP 21 N -4.73 3.75 0.31 4.97 1.11 -0.58 -4.75 116.67 116.75 1c3t s ASP 21 Ca 0.06 1.93 0.08 0.00 0.18 0.00 0.00 52.55 54.80 1c3t s ASP 21 Cb 0.10 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1c3t s ASP 21 CO 0.50 -2.53 0.12 0.42 1.18 0.00 0.00 175.17 174.85 1c3t s THR 22 N -2.80 3.38 0.22 -1.27 -4.23 -1.26 -1.09 115.64 108.59 1c3t s THR 22 Ca 0.64 -1.70 -0.11 0.00 -1.18 0.00 0.00 61.69 59.34 1c3t s THR 22 Cb -0.19 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.86 1c3t s THR 22 CO 0.57 -0.26 1.65 0.58 -0.54 0.00 0.00 174.62 176.61 1c3t h VAL 23 N 1.62 0.42 -0.80 2.29 2.07 -1.62 0.11 116.25 120.35 1c3t h VAL 23 Ca -0.45 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.20 1c3t h VAL 23 Cb 1.25 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.26 1c3t h VAL 23 CO 0.62 0.01 0.36 -0.08 0.02 0.00 0.00 177.57 178.50 1c3t h GLU 24 N 0.07 0.49 0.53 1.57 4.81 -1.91 -0.95 114.58 119.19 1c3t h GLU 24 Ca 0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1c3t h GLU 24 Cb 0.54 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1c3t h GLU 24 CO -0.59 0.32 -0.33 -0.91 -0.73 0.00 0.00 179.01 176.77 1c3t h ASN 25 N 0.50 -0.83 -0.22 1.04 4.21 -1.18 0.16 115.58 119.27 1c3t h ASN 25 Ca 0.45 0.05 0.06 0.00 1.21 0.00 0.00 56.30 58.06 1c3t h ASN 25 Cb 0.68 0.24 -0.07 0.00 -1.12 0.00 0.00 38.32 38.05 1c3t h ASN 25 CO -0.40 -0.51 -0.35 0.25 -1.29 0.00 0.00 177.43 175.12 1c3t h LEU 26 N -0.81 -1.12 -0.38 1.61 5.85 -0.84 -1.44 115.31 118.18 1c3t h LEU 26 Ca -0.06 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1c3t h LEU 26 Cb 0.66 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1c3t h LEU 26 CO 0.06 -0.36 0.04 0.11 -0.34 0.00 0.00 178.44 177.94 1c3t h LYS 27 N -0.38 0.14 -0.85 1.25 1.57 -1.08 -1.65 116.57 115.57 1c3t h LYS 27 Ca 0.11 -0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.09 1c3t h LYS 27 Cb 0.56 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.69 1c3t h LYS 27 CO -0.43 0.09 -0.03 0.00 -0.57 0.00 0.00 179.45 178.52 1c3t h ALA 28 N 1.31 0.87 -0.58 3.86 0.00 0.37 0.51 119.26 125.60 1c3t h ALA 28 Ca 0.18 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1c3t h ALA 28 Cb 0.24 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1c3t h ALA 28 CO -0.28 -0.46 0.27 0.87 0.00 0.00 0.00 179.25 179.65 1c3t h LYS 29 N 0.06 0.84 0.00 0.00 1.79 -0.75 -1.54 116.57 116.97 1c3t h LYS 29 Ca 0.47 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1c3t h LYS 29 Cb 0.86 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1c3t h LYS 29 CO -0.79 0.69 0.00 0.82 -1.08 0.00 0.00 179.45 179.09 1c3t h ILE 30 N 0.79 0.00 0.01 1.86 2.04 0.44 -0.63 117.51 122.02 1c3t h ILE 30 Ca 0.20 -0.09 -0.24 0.00 1.00 0.00 0.00 64.86 65.73 1c3t h ILE 30 Cb 0.14 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1c3t h ILE 30 CO -0.02 0.00 -1.20 -0.61 0.00 0.00 0.00 178.15 176.32 1c3t h GLN 31 N 0.00 0.02 -0.01 2.37 4.15 -0.05 -0.32 115.11 121.28 1c3t h GLN 31 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1c3t h GLN 31 Cb 0.09 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1c3t h GLN 31 CO 0.00 0.89 -0.18 -0.25 -1.93 0.00 0.00 178.83 177.36 1c3t n ASP 32 N -3.29 1.16 0.01 -0.69 9.92 -0.34 -2.47 116.55 120.86 1c3t n ASP 32 Ca -0.05 -1.06 -0.02 0.00 -0.53 0.00 0.00 54.79 53.12 1c3t n ASP 32 Cb 0.97 0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 41.54 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1c3t n LYS 33 N -0.41 0.12 -0.49 -1.24 5.02 -0.62 -4.76 118.16 115.78 1c3t n LYS 33 Ca 0.14 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1c3t n LYS 33 Cb 0.35 -0.72 0.35 0.00 -0.02 0.00 0.00 35.03 34.99 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 -3.69 3.20 -3.72 1.97 -0.58 -0.17 -4.94 120.64 112.70 1c3t n GLU 34 Ca -0.04 -2.79 -0.28 0.00 -0.42 0.00 0.00 57.16 53.63 1c3t n GLU 34 Cb 0.15 -1.73 0.01 0.00 -0.57 0.00 0.00 31.44 29.30 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 1.46 -0.49 3.50 0.62 0.00 -1.00 -4.92 105.19 104.36 1c3t n GLY 35 Ca 0.26 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.15 4.29 0.42 -0.61 1.01 -0.95 -4.92 121.20 117.29 1c3t s ILE 36 Ca 0.57 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 1c3t s ILE 36 Cb -0.29 -2.96 -0.11 0.00 0.01 0.00 0.00 42.46 39.11 1c3t s ILE 36 CO 0.70 0.41 0.92 -2.16 0.00 0.00 0.00 174.94 174.80 1c3t s PRO 37 N 1.01 4.19 0.49 2.79 0.04 -1.26 -2.86 135.00 139.39 1c3t s PRO 37 Ca 0.03 1.04 0.14 0.00 0.04 0.00 0.00 61.00 62.25 1c3t s PRO 37 Cb -0.14 -2.22 1.16 0.00 0.04 0.00 0.00 34.50 33.35 1c3t s PRO 37 CO 0.02 -0.01 2.12 -1.35 0.04 0.00 0.00 177.00 177.83 1c3t h PRO 38 N 1.94 0.14 0.00 0.56 0.11 -1.91 -0.65 132.00 132.19 1c3t h PRO 38 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1c3t h PRO 38 Cb 1.18 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1c3t h PRO 38 CO 0.62 0.09 -0.24 0.38 -0.21 0.00 0.00 178.00 178.64 1c3t h ASP 39 N 0.15 0.00 -0.32 -2.05 2.03 -2.02 -2.60 116.42 111.62 1c3t h ASP 39 Ca 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1c3t h ASP 39 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1c3t h ASP 39 CO -0.01 0.24 0.00 0.00 -1.03 0.00 0.00 179.24 178.44 1c3t n GLN 40 N -3.73 2.36 -3.71 4.15 6.02 -0.49 -4.87 117.38 117.11 1c3t n GLN 40 Ca -0.01 -1.95 -0.36 0.00 -0.01 0.00 0.00 57.00 54.67 1c3t n GLN 40 Cb 0.35 -1.30 -0.09 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.03 4.11 -0.39 -1.09 -0.21 -0.37 -3.33 119.66 117.35 1c3t s GLN 41 Ca 0.25 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.38 1c3t s GLN 41 Cb 0.14 -3.48 0.13 0.00 1.00 0.00 0.00 33.01 30.80 1c3t s GLN 41 CO 0.18 0.16 0.20 1.03 -2.12 0.00 0.00 175.29 174.74 1c3t s ARG 42 N 0.76 1.02 -0.02 2.91 0.52 -0.36 -4.92 118.95 118.86 1c3t s ARG 42 Ca 0.07 -1.65 -0.20 0.00 -0.52 0.00 0.00 55.73 53.43 1c3t s ARG 42 Cb -0.12 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.21 1c3t s ARG 42 CO 0.02 -1.12 0.58 -0.51 0.02 0.00 0.00 175.30 174.28 1c3t s LEU 43 N 0.81 4.39 -0.22 2.53 1.43 -1.26 0.57 118.68 126.93 1c3t s LEU 43 Ca 0.16 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 1c3t s LEU 43 Cb -0.22 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.17 1c3t s LEU 43 CO -0.06 0.08 -0.02 -0.63 0.23 0.00 0.00 176.35 175.95 1c3t s ILE 44 N -0.05 1.17 -0.15 -0.59 1.01 -0.74 -1.74 121.20 120.10 1c3t s ILE 44 Ca 0.30 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1c3t s ILE 44 Cb -0.18 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1c3t s ILE 44 CO 0.16 -0.16 -0.11 0.12 0.00 0.00 0.00 174.94 174.96 1c3t s PHE 45 N 1.56 2.86 -1.14 3.97 5.36 -0.82 -2.50 117.98 127.28 1c3t s PHE 45 Ca -0.04 -0.68 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 1c3t s PHE 45 Cb -0.18 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 1c3t s PHE 45 CO -0.07 -0.27 0.00 0.00 -1.46 0.00 0.00 175.22 173.42 1c3t n ALA 46 N 3.78 -0.75 -1.17 11.12 0.00 -1.26 0.26 120.51 132.49 1c3t n ALA 46 Ca -0.18 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1c3t n ALA 46 Cb 0.52 -1.57 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.81 0.46 3.05 0.00 0.00 -1.26 -5.03 105.19 101.61 1c3t n GLY 47 Ca -0.16 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 1c3t n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3t s LYS 48 N -2.38 2.18 -0.51 1.61 2.47 0.14 -5.07 119.74 118.18 1c3t s LYS 48 Ca 0.00 -1.29 -0.27 0.00 -1.56 0.00 0.00 55.97 52.85 1c3t s LYS 48 Cb 0.00 -2.84 -0.01 0.00 -1.46 0.00 0.00 37.83 33.52 1c3t s LYS 48 CO 0.00 -0.56 1.77 -1.14 0.16 0.00 0.00 175.35 175.58 1c3t s GLN 49 N 1.14 2.96 -0.08 4.03 -0.44 -1.26 -1.94 119.66 124.07 1c3t s GLN 49 Ca -0.08 0.86 -0.36 0.00 -2.50 0.00 0.00 55.36 53.27 1c3t s GLN 49 Cb -0.20 -4.28 -0.14 0.00 -1.64 0.00 0.00 33.01 26.75 1c3t s GLN 49 CO -0.05 -2.33 1.73 1.28 0.50 0.00 0.00 175.29 176.41 1c3t n LEU 50 N 11.48 2.86 -4.57 3.68 4.77 -0.71 -4.93 117.00 129.58 1c3t n LEU 50 Ca 0.20 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.83 1c3t n LEU 50 Cb 0.50 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.20 1c3t n LEU 50 CO 0.70 -0.32 -0.04 -1.61 -1.33 0.00 0.00 177.39 174.79 1c3t s GLU 51 N 2.95 3.81 -0.79 3.23 0.41 -1.26 -4.76 118.70 122.30 1c3t s GLU 51 Ca 0.91 -0.28 -0.26 0.00 -0.41 0.00 0.00 54.97 54.93 1c3t s GLU 51 Cb -0.83 -3.72 -0.17 0.00 -1.78 0.00 0.00 34.13 27.63 1c3t s GLU 51 CO 0.53 -0.34 2.51 -3.47 -0.49 0.00 0.00 175.26 174.00 1c3t n ASP 52 N 5.24 1.00 0.00 -0.19 -0.08 -1.26 -1.83 116.55 119.42 1c3t n ASP 52 Ca -0.11 -0.32 0.00 0.00 -1.51 0.00 0.00 54.79 52.85 1c3t n ASP 52 Cb 0.51 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.77 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c3t n GLY 53 N 6.24 0.38 3.97 0.27 0.00 -1.26 -4.93 105.19 109.86 1c3t n GLY 53 Ca 0.54 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 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 3.41 0.42 1.61 1.81 -0.76 -4.92 118.95 120.52 1c3t s ARG 54 Ca 0.00 -0.74 -0.03 0.00 -1.72 0.00 0.00 55.73 53.24 1c3t s ARG 54 Cb 0.00 -2.86 -0.04 0.00 -0.45 0.00 0.00 34.95 31.61 1c3t s ARG 54 CO 0.00 0.35 0.69 0.95 -0.68 0.00 0.00 175.30 176.61 1c3t s THR 55 N -2.04 4.98 0.25 0.02 -4.23 -1.26 -1.67 115.64 111.69 1c3t s THR 55 Ca 0.36 -0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.78 1c3t s THR 55 Cb -0.09 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.14 1c3t s THR 55 CO 0.30 -0.71 1.91 -0.07 -0.54 0.00 0.00 174.62 175.51 1c3t h LEU 56 N 0.52 1.07 -2.33 4.79 3.38 -0.94 -0.95 115.31 120.85 1c3t h LEU 56 Ca -0.48 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1c3t h LEU 56 Cb 1.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1c3t h LEU 56 CO 0.62 0.75 0.06 0.77 0.09 0.00 0.00 178.44 180.73 1c3t h SER 57 N 1.25 0.00 0.32 -0.43 4.64 -1.72 0.48 113.55 118.09 1c3t h SER 57 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1c3t h SER 57 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1c3t h SER 57 CO -0.11 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.32 1c3t n ASP 58 N -3.96 0.00 -0.65 4.97 8.00 -0.36 -1.86 116.55 122.70 1c3t n ASP 58 Ca -0.02 0.38 0.05 0.00 0.71 0.00 0.00 54.79 55.91 1c3t n ASP 58 Cb 0.16 -0.43 0.20 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.43 0.33 -4.51 1.24 4.01 0.16 -4.96 117.16 111.99 1c3t n TYR 59 Ca 0.03 -1.38 -0.41 0.00 -0.16 0.00 0.00 57.90 55.98 1c3t n TYR 59 Cb 0.11 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 38.77 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 -1.14 -1.59 -4.72 7.72 0.23 -0.78 -4.87 115.26 110.12 1c3t n ASN 60 Ca 0.22 -1.24 -0.31 0.00 -0.53 0.00 0.00 54.58 52.72 1c3t n ASN 60 Cb 0.78 -1.64 0.13 0.00 -2.08 0.00 0.00 39.78 36.97 1c3t n ASN 60 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1c3t s LEU 61 N -7.26 2.65 0.18 -4.53 1.43 -1.24 -5.07 118.68 104.84 1c3t s LEU 61 Ca 0.75 1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 55.57 1c3t s LEU 61 Cb -0.44 -4.31 -0.01 0.00 0.03 0.00 0.00 46.19 41.47 1c3t s LEU 61 CO 1.02 -2.58 0.29 -1.10 0.23 0.00 0.00 176.35 174.22 1c3t s GLN 62 N -4.82 1.21 0.26 1.70 -1.52 -1.26 -4.96 119.66 110.27 1c3t s GLN 62 Ca 0.63 -1.22 -0.27 0.00 -1.95 0.00 0.00 55.36 52.56 1c3t s GLN 62 Cb -0.19 0.38 -0.16 0.00 -0.22 0.00 0.00 33.01 32.82 1c3t s GLN 62 CO 0.57 -0.45 0.60 1.17 -0.25 0.00 0.00 175.29 176.94 1c3t n LYS 63 N -0.24 0.39 -3.26 2.91 3.00 -1.26 -3.41 118.16 116.28 1c3t n LYS 63 Ca -0.06 0.14 -0.13 0.00 -0.00 0.00 0.00 58.31 58.26 1c3t n LYS 63 Cb 0.63 -1.26 0.01 0.00 0.00 0.00 0.00 35.03 34.42 1c3t n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1c3t n GLU 64 N 0.92 -1.01 -4.08 1.64 0.00 0.49 -4.97 120.64 113.63 1c3t n GLU 64 Ca 0.15 1.11 -0.25 0.00 0.00 0.00 0.00 57.16 58.17 1c3t n GLU 64 Cb 0.30 -1.66 -0.05 0.00 0.00 0.00 0.00 31.44 30.03 1c3t n GLU 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1c3t s SER 65 N -1.22 5.59 -0.47 4.31 0.01 -1.22 -4.84 113.70 115.85 1c3t s SER 65 Ca 0.13 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.25 1c3t s SER 65 Cb -0.01 -1.47 0.12 0.00 0.21 0.00 0.00 66.02 64.88 1c3t s SER 65 CO 0.34 0.03 0.23 -0.89 0.41 0.00 0.00 173.24 173.36 1c3t s THR 66 N -1.88 2.93 0.00 1.44 2.01 -1.25 -0.12 115.64 118.76 1c3t s THR 66 Ca 0.32 -2.69 -0.06 0.00 0.31 0.00 0.00 61.69 59.57 1c3t s THR 66 Cb -0.09 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1c3t s THR 66 CO 0.24 -0.74 0.25 -0.63 -0.69 0.00 0.00 174.62 173.05 1c3t s ILE 67 N 0.40 5.33 -0.54 1.82 1.01 -1.02 -4.86 121.20 123.35 1c3t s ILE 67 Ca 0.13 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.70 1c3t s ILE 67 Cb -0.22 -3.56 0.08 0.00 0.01 0.00 0.00 42.46 38.77 1c3t s ILE 67 CO -0.04 0.36 0.62 -1.00 0.00 0.00 0.00 174.94 174.88 1c3t s HIS 68 N -1.30 3.06 -0.26 3.97 3.76 -1.04 -2.11 115.29 121.36 1c3t s HIS 68 Ca 0.27 -0.79 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 1c3t s HIS 68 Cb -0.13 -3.70 0.01 0.00 1.11 0.00 0.00 32.58 29.87 1c3t s HIS 68 CO 0.16 -1.11 1.06 -1.17 -0.85 0.00 0.00 174.74 172.84 1c3t s LEU 69 N 2.49 4.04 0.14 0.89 2.96 -0.03 -1.80 118.68 127.37 1c3t s LEU 69 Ca 0.12 1.27 0.07 0.00 -0.22 0.00 0.00 54.13 55.37 1c3t s LEU 69 Cb -0.22 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1c3t s LEU 69 CO 0.09 -0.75 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.65 1c3t s VAL 70 N 3.39 3.74 -0.20 1.68 1.01 0.19 -3.67 120.40 126.54 1c3t s VAL 70 Ca 0.45 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1c3t s VAL 70 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1c3t s VAL 70 CO 0.10 -0.01 0.05 -0.22 0.00 0.00 0.00 175.10 175.02 1c3t s LEU 71 N -2.64 3.66 0.03 3.92 1.98 -1.26 -1.22 118.68 123.15 1c3t s LEU 71 Ca 0.26 -0.02 -0.23 0.00 -2.89 0.00 0.00 54.13 51.25 1c3t s LEU 71 Cb -0.10 -1.93 -0.06 0.00 0.66 0.00 0.00 46.19 44.76 1c3t s LEU 71 CO 0.18 0.12 0.69 -0.60 -1.89 0.00 0.00 176.35 174.84 1c3t s ARG 72 N 0.71 4.41 0.58 1.98 3.52 -1.21 -5.00 118.95 123.93 1c3t s ARG 72 Ca 0.03 0.92 -0.10 0.00 -0.13 0.00 0.00 55.73 56.45 1c3t s ARG 72 Cb -0.13 -3.34 0.14 0.00 -1.56 0.00 0.00 34.95 30.06 1c3t s ARG 72 CO 0.02 0.35 0.54 1.28 -0.81 0.00 0.00 175.30 176.68 1c3t n LEU 73 N 2.64 0.00 -0.38 -0.88 4.77 -1.26 -4.82 117.00 117.07 1c3t n LEU 73 Ca -0.05 -0.57 0.35 0.00 -0.03 0.00 0.00 56.01 55.71 1c3t n LEU 73 Cb 0.50 -0.48 0.61 0.00 -2.33 0.00 0.00 43.42 41.72 1c3t n LEU 73 CO 0.45 -1.51 1.10 -2.11 -1.33 0.00 0.00 177.39 173.99 1c3t n ARG 74 N -3.05 -0.05 -3.99 3.23 1.85 -1.26 -4.76 116.66 108.63 1c3t n ARG 74 Ca 0.07 1.29 -0.29 0.00 -1.00 0.00 0.00 57.85 57.92 1c3t n ARG 74 Cb 0.28 -2.41 -0.01 0.00 -1.05 0.00 0.00 32.46 29.28 1c3t n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1c3t n GLY 75 N -1.37 -0.35 0.00 2.89 0.00 -1.26 -5.19 105.19 99.91 1c3t n GLY 75 Ca 0.38 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93