#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 3.53 -0.04 2.12 -0.21 -1.26 -0.28 119.66 123.52 1c3t s GLN 2 Ca 0.00 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.08 1c3t s GLN 2 Cb 0.00 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.21 1c3t s GLN 2 CO 0.00 0.39 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.02 1c3t s LEU 3 N -3.33 1.25 -0.44 2.90 1.43 1.00 -0.32 118.68 121.17 1c3t s LEU 3 Ca 0.39 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 1c3t s LEU 3 Cb -0.11 -0.35 0.04 0.00 0.03 0.00 0.00 46.19 45.80 1c3t s LEU 3 CO 0.29 -0.08 0.46 -0.36 0.23 0.00 0.00 176.35 176.89 1c3t s PHE 4 N 0.97 3.16 -0.48 0.29 0.08 -0.66 -2.16 117.98 119.19 1c3t s PHE 4 Ca -0.10 -0.50 -0.12 0.00 0.12 0.00 0.00 56.93 56.33 1c3t s PHE 4 Cb -0.14 -3.04 0.11 0.00 -0.57 0.00 0.00 43.02 39.37 1c3t s PHE 4 CO -0.01 -0.77 0.38 0.08 -0.10 0.00 0.00 175.22 174.80 1c3t s VAL 5 N 2.13 4.65 0.14 -0.44 1.01 -0.69 -2.17 120.40 125.02 1c3t s VAL 5 Ca 0.11 -1.51 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 1c3t s VAL 5 Cb -0.19 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1c3t s VAL 5 CO 0.12 -0.71 0.43 -1.59 0.00 0.00 0.00 175.10 173.35 1c3t s LYS 6 N 1.48 3.73 0.29 2.72 0.00 -0.62 -0.16 119.74 127.18 1c3t s LYS 6 Ca 0.04 0.12 0.03 0.00 0.00 0.00 0.00 55.97 56.17 1c3t s LYS 6 Cb -0.26 -2.87 0.03 0.00 0.00 0.00 0.00 37.83 34.73 1c3t s LYS 6 CO 0.02 0.47 0.29 0.25 0.00 0.00 0.00 175.35 176.38 1c3t n THR 7 N 0.41 0.00 0.72 3.79 -2.24 -0.90 -0.92 114.28 115.14 1c3t n THR 7 Ca -0.04 -1.06 0.13 0.00 -2.27 0.00 0.00 64.05 60.80 1c3t n THR 7 Cb 0.52 -0.46 0.48 0.00 -2.10 0.00 0.00 70.33 68.78 1c3t n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1c3t n LEU 8 N 0.00 0.41 0.03 3.22 7.99 -1.24 -2.78 117.00 124.63 1c3t n LEU 8 Ca 0.03 0.55 0.12 0.00 -0.01 0.00 0.00 56.01 56.70 1c3t n LEU 8 Cb 0.31 -0.44 0.15 0.00 -0.11 0.00 0.00 43.42 43.34 1c3t n LEU 8 CO 0.19 -0.17 0.28 0.35 -1.51 0.00 0.00 177.39 176.53 1c3t n THR 9 N -1.90 0.18 0.00 -5.08 -2.24 -1.26 -4.98 114.28 99.00 1c3t n THR 9 Ca 0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1c3t n THR 9 Cb 0.34 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.40 3.16 3.31 3.38 0.00 -1.12 -5.06 105.19 110.27 1c3t n GLY 10 Ca 0.04 -0.87 -0.55 0.00 0.00 0.00 0.00 46.02 44.63 1c3t n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c3t n LYS 11 N 0.00 0.00 -4.79 1.61 5.02 -1.26 -4.35 118.16 114.39 1c3t n LYS 11 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1c3t n LYS 11 Cb 0.00 -1.38 -0.14 0.00 -0.02 0.00 0.00 35.03 33.49 1c3t n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1c3t s THR 12 N -0.08 3.14 0.31 -0.18 2.01 -1.26 -2.11 115.64 117.46 1c3t s THR 12 Ca 0.84 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1c3t s THR 12 Cb -1.18 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1c3t s THR 12 CO 0.54 0.55 0.49 -0.76 -0.69 0.00 0.00 174.62 174.75 1c3t s LEU 13 N -0.08 4.11 -0.25 4.42 1.43 0.77 -4.91 118.68 124.17 1c3t s LEU 13 Ca -0.02 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1c3t s LEU 13 Cb -0.14 -3.17 0.08 0.00 0.03 0.00 0.00 46.19 42.99 1c3t s LEU 13 CO 0.04 -0.23 0.06 -0.89 0.23 0.00 0.00 176.35 175.56 1c3t s THR 14 N -2.21 0.67 0.08 5.49 2.01 -1.26 -1.71 115.64 118.72 1c3t s THR 14 Ca 0.38 -0.93 0.10 0.00 0.31 0.00 0.00 61.69 61.55 1c3t s THR 14 Cb -0.09 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1c3t s THR 14 CO 0.34 -0.42 -0.26 0.68 -0.69 0.00 0.00 174.62 174.27 1c3t s VAL 15 N 1.76 2.11 -0.32 3.82 -7.23 -0.92 -4.95 120.40 114.67 1c3t s VAL 15 Ca 0.03 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 1c3t s VAL 15 Cb -0.17 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.93 1c3t s VAL 15 CO -0.17 0.20 0.14 -1.83 -0.31 0.00 0.00 175.10 173.14 1c3t s GLU 16 N -1.63 3.12 0.34 4.82 4.04 -1.26 -0.00 118.70 128.13 1c3t s GLU 16 Ca 0.12 -0.86 0.05 0.00 0.04 0.00 0.00 54.97 54.32 1c3t s GLU 16 Cb -0.10 -3.54 -0.02 0.00 0.02 0.00 0.00 34.13 30.50 1c3t s GLU 16 CO 0.04 -0.50 0.20 1.28 -1.84 0.00 0.00 175.26 174.44 1c3t n LEU 17 N 4.94 0.00 -4.42 1.83 4.77 0.61 -4.95 117.00 119.78 1c3t n LEU 17 Ca -0.14 -2.92 -0.22 0.00 -0.03 0.00 0.00 56.01 52.71 1c3t n LEU 17 Cb 0.48 1.25 -0.10 0.00 -2.33 0.00 0.00 43.42 42.72 1c3t n LEU 17 CO 0.33 -0.47 -0.45 -1.61 -1.33 0.00 0.00 177.39 173.87 1c3t s GLU 18 N -3.35 1.55 0.00 3.23 0.41 -1.26 -3.23 118.70 116.04 1c3t s GLU 18 Ca 0.28 -1.71 0.10 0.00 -0.41 0.00 0.00 54.97 53.23 1c3t s GLU 18 Cb 0.01 -1.48 0.50 0.00 -1.78 0.00 0.00 34.13 31.39 1c3t s GLU 18 CO 0.20 0.24 1.20 -0.35 -0.49 0.00 0.00 175.26 176.06 1c3t n PRO 19 N -0.54 0.15 0.07 0.39 -0.04 -1.26 -1.80 135.00 131.97 1c3t n PRO 19 Ca -0.06 0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 1c3t n PRO 19 Cb 0.61 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 1c3t n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1c3t h SER 20 N 0.00 0.00 -3.68 3.54 4.64 -1.96 -2.43 113.55 113.66 1c3t h SER 20 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1c3t h SER 20 Cb 0.09 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.35 1c3t h SER 20 CO 0.00 0.38 0.14 -1.81 -0.87 0.00 0.00 176.83 174.67 1c3t s ASP 21 N -5.70 2.05 0.30 4.97 1.01 -0.74 -4.79 116.67 113.77 1c3t s ASP 21 Ca -0.02 1.23 0.06 0.00 0.71 0.00 0.00 52.55 54.53 1c3t s ASP 21 Cb 0.09 -1.92 -0.06 0.00 1.01 0.00 0.00 42.92 42.03 1c3t s ASP 21 CO 0.80 -3.49 -0.03 0.42 0.21 0.00 0.00 175.17 173.07 1c3t s THR 22 N -2.84 1.64 0.25 -1.27 -4.23 -1.26 -1.42 115.64 106.51 1c3t s THR 22 Ca 0.66 -2.10 -0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1c3t s THR 22 Cb -0.20 -2.58 0.29 0.00 1.34 0.00 0.00 72.50 71.35 1c3t s THR 22 CO 0.59 -0.21 1.63 0.58 -0.54 0.00 0.00 174.62 176.67 1c3t h VAL 23 N 2.18 0.32 -0.67 2.29 2.07 -1.71 0.43 116.25 121.16 1c3t h VAL 23 Ca -0.41 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1c3t h VAL 23 Cb 1.24 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 31.09 1c3t h VAL 23 CO 0.69 0.02 -0.25 -0.08 0.02 0.00 0.00 177.57 177.97 1c3t h GLU 24 N 0.10 -0.07 0.29 1.57 4.22 -1.92 0.13 114.58 118.91 1c3t h GLU 24 Ca 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.87 1c3t h GLU 24 Cb 0.76 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1c3t h GLU 24 CO -0.68 -0.04 -0.27 -0.91 -2.18 0.00 0.00 179.01 174.92 1c3t h ASN 25 N -0.07 -0.72 -0.32 1.04 4.21 -1.33 0.11 115.58 118.50 1c3t h ASN 25 Ca 0.30 0.06 0.07 0.00 1.21 0.00 0.00 56.30 57.94 1c3t h ASN 25 Cb 0.54 0.24 -0.08 0.00 -1.12 0.00 0.00 38.32 37.90 1c3t h ASN 25 CO -0.72 -0.39 -0.35 0.25 -1.29 0.00 0.00 177.43 174.93 1c3t h LEU 26 N -0.58 -1.13 -0.02 1.61 5.85 -0.74 -1.81 115.31 118.49 1c3t h LEU 26 Ca -0.01 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1c3t h LEU 26 Cb 0.53 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1c3t h LEU 26 CO -0.05 -0.34 -0.17 0.11 -0.34 0.00 0.00 178.44 177.65 1c3t h LYS 27 N -0.31 -0.26 -0.97 1.25 1.57 -0.58 -1.86 116.57 115.40 1c3t h LYS 27 Ca 0.14 0.02 0.32 0.00 -1.87 0.00 0.00 60.65 59.26 1c3t h LYS 27 Cb 0.55 0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.75 1c3t h LYS 27 CO -0.49 -0.17 0.27 0.00 -0.57 0.00 0.00 179.45 178.49 1c3t h ALA 28 N 0.67 1.57 -0.24 3.86 0.00 0.04 0.63 119.26 125.79 1c3t h ALA 28 Ca 0.06 0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1c3t h ALA 28 Cb 0.35 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1c3t h ALA 28 CO -0.17 -0.68 -0.02 0.87 0.00 0.00 0.00 179.25 179.24 1c3t h LYS 29 N 0.07 0.44 -0.40 0.00 1.57 -0.76 -2.59 116.57 114.89 1c3t h LYS 29 Ca 0.68 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 59.42 1c3t h LYS 29 Cb 1.58 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.83 1c3t h LYS 29 CO -0.80 0.64 0.28 0.82 -0.57 0.00 0.00 179.45 179.82 1c3t h ILE 30 N 0.20 0.83 -0.01 1.86 2.04 0.70 0.41 117.51 123.54 1c3t h ILE 30 Ca 0.06 -0.02 -0.22 0.00 1.00 0.00 0.00 64.86 65.69 1c3t h ILE 30 Cb 0.46 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1c3t h ILE 30 CO 0.02 0.01 -0.90 -0.61 0.00 0.00 0.00 178.15 176.66 1c3t h GLN 31 N 0.06 0.37 -0.01 2.37 4.15 -0.74 0.66 115.11 121.98 1c3t h GLN 31 Ca 0.19 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1c3t h GLN 31 Cb 0.67 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1c3t h GLN 31 CO -0.01 1.06 -0.29 -0.25 -1.93 0.00 0.00 178.83 177.41 1c3t n ASP 32 N -3.74 0.81 -0.07 -0.69 9.92 -0.21 -2.12 116.55 120.45 1c3t n ASP 32 Ca -0.06 -0.67 -0.10 0.00 -0.53 0.00 0.00 54.79 53.43 1c3t n ASP 32 Cb 0.81 0.12 -0.03 0.00 -0.64 0.00 0.00 41.12 41.38 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 -0.90 0.41 -0.92 -1.24 4.76 0.13 -4.72 118.16 115.68 1c3t n LYS 33 Ca 0.11 0.17 -0.07 0.00 -2.87 0.00 0.00 58.31 55.64 1c3t n LYS 33 Cb 0.34 -1.22 0.18 0.00 -1.84 0.00 0.00 35.03 32.49 1c3t n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1c3t n GLU 34 N -4.18 1.96 -3.18 1.97 -0.58 0.17 -4.94 120.64 111.87 1c3t n GLU 34 Ca -0.17 -3.26 -0.15 0.00 -0.42 0.00 0.00 57.16 53.16 1c3t n GLU 34 Cb 0.47 -1.87 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 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 -1.10 -0.47 3.46 0.62 0.00 -0.90 -4.86 105.19 101.94 1c3t n GLY 35 Ca 0.36 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.48 5.17 0.34 -0.61 1.01 -0.89 -4.91 121.20 118.83 1c3t s ILE 36 Ca 0.29 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 60.08 1c3t s ILE 36 Cb -0.16 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 1c3t s ILE 36 CO 0.35 -0.41 1.27 -2.84 0.00 0.00 0.00 174.94 173.31 1c3t s PRO 37 N 1.90 4.31 0.53 2.79 0.02 -1.26 -2.35 135.00 140.95 1c3t s PRO 37 Ca 0.08 2.13 0.22 0.00 0.02 0.00 0.00 61.00 63.45 1c3t s PRO 37 Cb -0.19 -3.01 1.39 0.00 0.02 0.00 0.00 34.50 32.71 1c3t s PRO 37 CO 0.11 -0.19 2.07 -1.35 -0.33 0.00 0.00 177.00 177.31 1c3t h PRO 38 N 3.27 0.00 -0.27 5.54 0.11 -1.94 -0.97 132.00 137.74 1c3t h PRO 38 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1c3t h PRO 38 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1c3t h PRO 38 CO 0.65 0.00 0.16 0.22 -0.21 0.00 0.00 178.00 178.82 1c3t h ASP 39 N 0.00 0.31 -0.42 -2.05 1.82 -2.01 -1.67 116.42 112.41 1c3t h ASP 39 Ca 0.13 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.62 1c3t h ASP 39 Cb 0.54 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.38 1c3t h ASP 39 CO -0.00 0.24 0.06 0.00 -1.61 0.00 0.00 179.24 177.93 1c3t n GLN 40 N -4.48 2.56 -3.89 0.28 6.02 -0.39 -4.79 117.38 112.68 1c3t n GLN 40 Ca 0.01 -3.03 -0.36 0.00 -0.01 0.00 0.00 57.00 53.62 1c3t n GLN 40 Cb 0.08 -1.91 -0.11 0.00 1.02 0.00 0.00 30.24 29.32 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 -3.05 3.85 -0.34 -1.09 -0.21 -0.63 -3.69 119.66 114.50 1c3t s GLN 41 Ca 0.46 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.45 1c3t s GLN 41 Cb 0.39 -3.29 0.11 0.00 1.00 0.00 0.00 33.01 31.22 1c3t s GLN 41 CO 0.06 0.06 0.12 1.03 -2.12 0.00 0.00 175.29 174.44 1c3t s ARG 42 N 0.97 0.89 -0.40 2.91 0.52 0.41 -4.93 118.95 119.32 1c3t s ARG 42 Ca 0.04 -1.33 -0.22 0.00 -0.52 0.00 0.00 55.73 53.70 1c3t s ARG 42 Cb -0.14 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 33.18 1c3t s ARG 42 CO 0.03 -1.02 0.71 -0.51 0.02 0.00 0.00 175.30 174.53 1c3t s LEU 43 N 1.30 4.28 -1.05 2.53 1.43 -1.25 -0.01 118.68 125.91 1c3t s LEU 43 Ca 0.11 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1c3t s LEU 43 Cb -0.19 -2.87 0.30 0.00 0.03 0.00 0.00 46.19 43.46 1c3t s LEU 43 CO -0.18 -0.75 1.37 -0.38 0.23 0.00 0.00 176.35 176.64 1c3t n ILE 44 N 5.83 4.96 -2.04 -0.59 2.08 0.28 -1.60 119.36 128.29 1c3t n ILE 44 Ca 0.00 -5.80 -0.43 0.00 0.56 0.00 0.00 62.75 57.09 1c3t n ILE 44 Cb 0.48 -2.15 -0.03 0.00 -0.75 0.00 0.00 39.64 37.20 1c3t n ILE 44 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1c3t s PHE 45 N -2.57 1.97 -1.75 1.39 5.36 0.12 -2.51 117.98 119.98 1c3t s PHE 45 Ca 0.32 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1c3t s PHE 45 Cb 0.04 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1c3t s PHE 45 CO 0.07 -3.27 0.00 0.00 -1.46 0.00 0.00 175.22 170.56 1c3t n ALA 46 N 8.54 -0.39 -0.07 11.12 0.00 -1.26 0.02 120.51 138.48 1c3t n ALA 46 Ca 0.20 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1c3t n ALA 46 Cb 0.45 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.50 0.54 3.76 0.00 0.00 -1.05 -5.06 105.19 102.89 1c3t n GLY 47 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.83 3.71 -0.27 1.61 2.20 0.10 -4.98 119.74 121.29 1c3t s LYS 48 Ca 0.00 -0.23 -0.24 0.00 -0.36 0.00 0.00 55.97 55.14 1c3t s LYS 48 Cb 0.00 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1c3t s LYS 48 CO 0.00 0.53 0.79 -1.14 -0.36 0.00 0.00 175.35 175.17 1c3t s GLN 49 N -0.33 4.10 0.29 4.03 0.74 -1.25 0.11 119.66 127.34 1c3t s GLN 49 Ca 0.10 0.77 -0.29 0.00 0.05 0.00 0.00 55.36 55.99 1c3t s GLN 49 Cb -0.12 -3.67 -0.10 0.00 1.10 0.00 0.00 33.01 30.21 1c3t s GLN 49 CO 0.01 -0.56 1.45 -0.51 -0.55 0.00 0.00 175.29 175.13 1c3t s LEU 50 N 2.85 4.38 -0.24 3.68 1.43 -0.62 -5.00 118.68 125.15 1c3t s LEU 50 Ca 0.33 2.79 -0.09 0.00 -1.03 0.00 0.00 54.13 56.13 1c3t s LEU 50 Cb -0.15 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1c3t s LEU 50 CO 0.09 -0.74 0.11 -1.61 0.23 0.00 0.00 176.35 174.43 1c3t s GLU 51 N -0.96 3.84 -0.47 1.70 0.41 -1.26 -4.82 118.70 117.14 1c3t s GLU 51 Ca 0.57 -0.39 -0.33 0.00 -0.41 0.00 0.00 54.97 54.42 1c3t s GLU 51 Cb -0.43 -3.40 -0.12 0.00 -1.78 0.00 0.00 34.13 28.39 1c3t s GLU 51 CO 0.49 -0.05 2.31 -3.47 -0.49 0.00 0.00 175.26 174.05 1c3t n ASP 52 N 4.57 1.90 0.00 -0.19 2.03 -1.26 -1.70 116.55 121.90 1c3t n ASP 52 Ca -0.16 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1c3t n ASP 52 Cb 0.52 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1c3t n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c3t n GLY 53 N 6.43 0.57 3.90 0.27 0.00 -1.26 -5.00 105.19 110.10 1c3t n GLY 53 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 3.35 0.15 1.61 1.81 -0.69 -4.96 118.95 120.22 1c3t s ARG 54 Ca 0.00 -0.49 -0.13 0.00 -1.72 0.00 0.00 55.73 53.40 1c3t s ARG 54 Cb 0.00 -2.99 -0.07 0.00 -0.45 0.00 0.00 34.95 31.45 1c3t s ARG 54 CO 0.00 0.60 0.52 0.95 -0.68 0.00 0.00 175.30 176.69 1c3t s THR 55 N -1.50 4.92 0.33 0.02 -4.23 -1.26 -2.01 115.64 111.91 1c3t s THR 55 Ca 0.34 0.69 0.12 0.00 -1.18 0.00 0.00 61.69 61.66 1c3t s THR 55 Cb -0.13 -3.70 0.32 0.00 1.34 0.00 0.00 72.50 70.34 1c3t s THR 55 CO 0.27 0.19 1.67 -0.07 -0.54 0.00 0.00 174.62 176.14 1c3t h LEU 56 N 3.40 0.46 -0.95 4.79 3.38 -1.35 0.69 115.31 125.74 1c3t h LEU 56 Ca -0.48 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1c3t h LEU 56 Cb 1.19 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1c3t h LEU 56 CO 0.67 -0.11 0.34 -1.28 0.09 0.00 0.00 178.44 178.14 1c3t h SER 57 N 0.34 0.99 -0.59 -0.43 0.87 -1.70 -2.11 113.55 110.93 1c3t h SER 57 Ca 0.70 -0.13 0.14 0.00 -1.23 0.00 0.00 61.79 61.27 1c3t h SER 57 Cb 1.53 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1c3t h SER 57 CO -0.60 0.86 0.41 0.44 -0.53 0.00 0.00 176.83 177.41 1c3t h ASP 58 N 1.08 0.14 -0.54 6.23 3.32 0.13 0.34 116.42 127.11 1c3t h ASP 58 Ca 0.26 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 1c3t h ASP 58 Cb 0.15 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 1c3t h ASP 58 CO -0.03 0.08 0.16 -1.22 -1.72 0.00 0.00 179.24 176.51 1c3t n TYR 59 N -4.42 1.83 -4.13 4.55 4.01 -0.81 -4.93 117.16 113.27 1c3t n TYR 59 Ca 0.11 -0.86 -0.42 0.00 -0.16 0.00 0.00 57.90 56.56 1c3t n TYR 59 Cb 0.56 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.08 -2.76 -4.74 7.72 0.23 0.12 -4.88 115.26 111.03 1c3t n ASN 60 Ca 0.29 -1.27 -0.39 0.00 -0.53 0.00 0.00 54.58 52.68 1c3t n ASN 60 Cb 1.11 -1.53 -0.05 0.00 -2.08 0.00 0.00 39.78 37.22 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 -7.40 4.34 0.57 -4.53 1.43 -1.13 -5.05 118.68 106.91 1c3t s LEU 61 Ca 0.37 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 1c3t s LEU 61 Cb -0.20 -2.89 0.07 0.00 0.03 0.00 0.00 46.19 43.20 1c3t s LEU 61 CO 0.95 0.01 0.78 -1.10 0.23 0.00 0.00 176.35 177.23 1c3t s GLN 62 N 0.34 2.32 0.34 1.70 -0.21 -1.26 -4.85 119.66 118.04 1c3t s GLN 62 Ca 0.31 -1.31 -0.29 0.00 0.02 0.00 0.00 55.36 54.10 1c3t s GLN 62 Cb -0.17 -2.58 -0.11 0.00 1.00 0.00 0.00 33.01 31.15 1c3t s GLN 62 CO 0.15 -0.84 1.39 0.21 -2.12 0.00 0.00 175.29 174.09 1c3t s LYS 63 N -4.71 4.24 -1.26 2.91 2.20 -1.26 -3.14 119.74 118.72 1c3t s LYS 63 Ca 0.61 2.38 -0.08 0.00 -0.36 0.00 0.00 55.97 58.51 1c3t s LYS 63 Cb -0.07 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1c3t s LYS 63 CO 0.39 -0.35 0.67 0.39 -0.36 0.00 0.00 175.35 176.08 1c3t n GLU 64 N 0.77 -2.93 -1.72 4.03 1.02 0.57 -4.95 120.64 117.42 1c3t n GLU 64 Ca 0.01 0.51 -0.30 0.00 -0.02 0.00 0.00 57.16 57.36 1c3t n GLU 64 Cb 0.41 -4.64 0.06 0.00 -0.02 0.00 0.00 31.44 27.25 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 -3.98 5.13 -0.30 1.62 0.01 -1.19 -4.71 113.70 110.28 1c3t s SER 65 Ca 0.20 1.27 -0.03 0.00 1.31 0.00 0.00 55.95 58.70 1c3t s SER 65 Cb -0.07 -2.07 0.04 0.00 0.21 0.00 0.00 66.02 64.14 1c3t s SER 65 CO 0.85 -1.56 0.02 -0.89 0.41 0.00 0.00 173.24 172.07 1c3t s THR 66 N -3.24 3.23 0.03 1.44 2.01 -1.26 -1.66 115.64 116.19 1c3t s THR 66 Ca 0.59 -1.20 0.07 0.00 0.31 0.00 0.00 61.69 61.46 1c3t s THR 66 Cb -0.13 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1c3t s THR 66 CO 0.53 -0.05 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.60 1c3t s ILE 67 N 1.32 2.74 -0.19 1.82 1.01 -0.92 -4.43 121.20 122.54 1c3t s ILE 67 Ca -0.03 -1.16 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 1c3t s ILE 67 Cb -0.19 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1c3t s ILE 67 CO -0.01 0.37 0.09 -1.00 0.00 0.00 0.00 174.94 174.39 1c3t s HIS 68 N -0.89 3.29 -0.29 3.97 3.76 -1.25 -1.58 115.29 122.29 1c3t s HIS 68 Ca 0.14 0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.08 1c3t s HIS 68 Cb -0.10 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 1c3t s HIS 68 CO 0.04 0.16 0.16 -1.17 -0.85 0.00 0.00 174.74 173.08 1c3t s LEU 69 N 0.48 3.99 0.13 0.89 0.20 -0.09 -0.55 118.68 123.73 1c3t s LEU 69 Ca 0.05 -0.24 0.10 0.00 0.69 0.00 0.00 54.13 54.73 1c3t s LEU 69 Cb -0.12 -2.05 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 1c3t s LEU 69 CO 0.00 -0.11 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.03 1c3t s VAL 70 N 1.69 2.48 -0.01 1.68 1.01 0.98 -3.67 120.40 124.56 1c3t s VAL 70 Ca 0.06 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.22 1c3t s VAL 70 Cb -0.16 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1c3t s VAL 70 CO 0.08 0.07 0.34 -0.22 0.00 0.00 0.00 175.10 175.37 1c3t s LEU 71 N -2.17 4.43 -0.70 3.92 0.20 -1.26 -0.45 118.68 122.66 1c3t s LEU 71 Ca 0.16 0.81 -0.35 0.00 0.69 0.00 0.00 54.13 55.44 1c3t s LEU 71 Cb -0.10 -2.55 -0.18 0.00 -0.43 0.00 0.00 46.19 42.93 1c3t s LEU 71 CO 0.08 0.31 2.42 -1.14 -0.29 0.00 0.00 176.35 177.74 1c3t n ARG 72 N 1.66 0.25 -2.84 1.98 0.63 -1.24 -4.82 116.66 112.28 1c3t n ARG 72 Ca -0.14 0.04 -0.43 0.00 -0.92 0.00 0.00 57.85 56.40 1c3t n ARG 72 Cb 0.53 -1.82 -0.03 0.00 0.45 0.00 0.00 32.46 31.59 1c3t n ARG 72 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1c3t s LEU 73 N 8.11 4.67 -0.01 6.15 0.20 -1.26 -4.99 118.68 131.54 1c3t s LEU 73 Ca 1.24 -1.84 0.06 0.00 0.69 0.00 0.00 54.13 54.28 1c3t s LEU 73 Cb -1.18 -2.44 -0.02 0.00 -0.43 0.00 0.00 46.19 42.12 1c3t s LEU 73 CO 0.52 -1.19 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.06 1c3t s ARG 74 N 3.28 2.22 0.00 1.98 1.81 -1.26 -4.71 118.95 122.27 1c3t s ARG 74 Ca 0.35 -0.87 0.00 0.00 -1.72 0.00 0.00 55.73 53.49 1c3t s ARG 74 Cb -0.04 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.27 1c3t s ARG 74 CO -0.08 0.58 0.00 0.41 -0.68 0.00 0.00 175.30 175.52 1c3t n GLY 75 N 2.18 2.97 0.00 -3.53 0.00 -1.26 -5.29 105.19 100.26 1c3t n GLY 75 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93