#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 3.68 0.08 3.17 -0.21 -1.26 -0.63 119.66 124.49 1c3t s GLN 2 Ca 0.00 0.08 0.03 0.00 0.02 0.00 0.00 55.36 55.50 1c3t s GLN 2 Cb 0.00 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 1c3t s GLN 2 CO 0.00 0.64 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.20 1c3t s LEU 3 N -1.62 2.34 -0.01 2.90 1.43 -0.02 0.16 118.68 123.87 1c3t s LEU 3 Ca 0.27 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1c3t s LEU 3 Cb -0.14 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 1c3t s LEU 3 CO 0.15 -0.22 0.08 -0.36 0.23 0.00 0.00 176.35 176.23 1c3t s PHE 4 N -1.95 3.29 -0.17 0.29 0.08 0.39 -0.73 117.98 119.18 1c3t s PHE 4 Ca -0.00 0.21 -0.03 0.00 0.12 0.00 0.00 56.93 57.23 1c3t s PHE 4 Cb -0.06 -1.74 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1c3t s PHE 4 CO 0.00 0.55 0.03 0.08 -0.10 0.00 0.00 175.22 175.79 1c3t s VAL 5 N -1.19 0.46 0.37 -0.44 1.01 0.86 -2.32 120.40 119.16 1c3t s VAL 5 Ca 0.23 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1c3t s VAL 5 Cb -0.12 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1c3t s VAL 5 CO 0.14 -0.12 0.36 -1.59 0.00 0.00 0.00 175.10 173.89 1c3t s LYS 6 N 1.90 2.72 0.15 2.72 -2.85 -0.34 -1.09 119.74 122.95 1c3t s LYS 6 Ca 0.00 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1c3t s LYS 6 Cb -0.16 -2.51 -0.00 0.00 -2.06 0.00 0.00 37.83 33.10 1c3t s LYS 6 CO -0.07 -0.03 0.01 0.25 0.10 0.00 0.00 175.35 175.61 1c3t n THR 7 N -1.50 0.00 0.25 3.79 -2.24 -1.07 -1.09 114.28 112.42 1c3t n THR 7 Ca 0.01 -0.74 0.14 0.00 -2.27 0.00 0.00 64.05 61.19 1c3t n THR 7 Cb 0.60 0.17 0.60 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.00 3.22 3.38 -1.93 -2.89 115.31 117.09 1c3t h LEU 8 Ca -0.12 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.57 1c3t h LEU 8 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1c3t h LEU 8 CO 0.21 0.11 -1.70 0.35 0.09 0.00 0.00 178.44 177.49 1c3t n THR 9 N -3.27 1.55 0.00 0.22 -2.24 -1.26 -4.99 114.28 104.29 1c3t n THR 9 Ca 0.00 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1c3t n THR 9 Cb 0.35 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 1.54 0.92 3.41 3.38 0.00 -1.09 -5.07 105.19 108.29 1c3t n GLY 10 Ca -0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 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 0.13 -4.58 1.61 4.81 -1.26 -4.29 118.16 114.58 1c3t n LYS 11 Ca 0.00 0.02 -0.33 0.00 -0.87 0.00 0.00 58.31 57.13 1c3t n LYS 11 Cb 0.00 -1.67 -0.11 0.00 0.02 0.00 0.00 35.03 33.27 1c3t n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1c3t s THR 12 N 8.01 3.52 0.14 3.15 2.01 -1.26 -2.60 115.64 128.61 1c3t s THR 12 Ca 1.27 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 62.54 1c3t s THR 12 Cb -1.26 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1c3t s THR 12 CO 0.54 0.47 0.04 -1.48 -0.69 0.00 0.00 174.62 173.50 1c3t s LEU 13 N -1.16 1.86 0.15 4.42 0.05 -0.25 -4.93 118.68 118.82 1c3t s LEU 13 Ca 0.15 -1.20 0.07 0.00 0.05 0.00 0.00 54.13 53.19 1c3t s LEU 13 Cb -0.11 0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 44.21 1c3t s LEU 13 CO 0.05 -0.69 0.01 -0.89 -0.55 0.00 0.00 176.35 174.27 1c3t s THR 14 N -3.96 3.83 0.02 5.48 2.01 -1.26 -0.10 115.64 121.67 1c3t s THR 14 Ca 0.24 -1.29 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 1c3t s THR 14 Cb 0.07 -2.90 -0.00 0.00 0.01 0.00 0.00 72.50 69.68 1c3t s THR 14 CO 0.02 -0.05 0.13 0.68 -0.69 0.00 0.00 174.62 174.71 1c3t s VAL 15 N -1.61 0.11 -0.49 3.82 -7.23 0.09 -4.95 120.40 110.14 1c3t s VAL 15 Ca 0.27 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 1c3t s VAL 15 Cb -0.10 -0.68 0.11 0.00 0.56 0.00 0.00 36.38 36.28 1c3t s VAL 15 CO 0.19 -0.49 0.39 -1.61 -0.31 0.00 0.00 175.10 173.27 1c3t s GLU 16 N -2.03 2.71 0.11 4.82 2.02 -1.26 -0.84 118.70 124.22 1c3t s GLU 16 Ca -0.10 -1.68 0.03 0.00 0.02 0.00 0.00 54.97 53.25 1c3t s GLU 16 Cb -0.04 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 1c3t s GLU 16 CO -0.02 -1.20 -0.09 -0.51 0.02 0.00 0.00 175.26 173.46 1c3t s LEU 17 N 1.47 2.45 0.22 1.80 1.43 0.20 -4.92 118.68 121.34 1c3t s LEU 17 Ca 0.04 -0.89 0.07 0.00 -1.03 0.00 0.00 54.13 52.32 1c3t s LEU 17 Cb -0.27 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 1c3t s LEU 17 CO 0.01 -0.32 0.10 -1.61 0.23 0.00 0.00 176.35 174.77 1c3t s GLU 18 N -3.21 2.68 0.42 1.70 0.41 -1.26 -1.17 118.70 118.27 1c3t s GLU 18 Ca 0.09 -1.10 0.28 0.00 -0.41 0.00 0.00 54.97 53.84 1c3t s GLU 18 Cb -0.00 -2.45 1.55 0.00 -1.78 0.00 0.00 34.13 31.44 1c3t s GLU 18 CO -0.01 0.42 1.87 -1.00 -0.49 0.00 0.00 175.26 176.06 1c3t h PRO 19 N 2.04 0.00 0.00 0.39 0.13 -1.95 0.02 132.00 132.62 1c3t h PRO 19 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1c3t h PRO 19 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1c3t h PRO 19 CO 0.61 0.00 -0.51 0.66 -0.23 0.00 0.00 178.00 178.52 1c3t h SER 20 N 0.00 0.00 -3.11 1.44 4.64 -1.95 -1.89 113.55 112.67 1c3t h SER 20 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1c3t h SER 20 Cb 0.00 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 62.31 1c3t h SER 20 CO 0.00 0.35 -0.06 -1.81 -0.87 0.00 0.00 176.83 174.44 1c3t s ASP 21 N -6.25 0.01 0.22 4.97 1.01 -0.01 -4.77 116.67 111.86 1c3t s ASP 21 Ca 0.04 1.27 0.05 0.00 0.71 0.00 0.00 52.55 54.61 1c3t s ASP 21 Cb 0.07 -1.92 -0.05 0.00 1.01 0.00 0.00 42.92 42.03 1c3t s ASP 21 CO 0.74 -4.76 -0.05 0.42 0.21 0.00 0.00 175.17 171.72 1c3t s THR 22 N -2.35 1.26 0.55 -1.27 -4.23 -1.26 -1.82 115.64 106.51 1c3t s THR 22 Ca 0.69 -2.08 0.36 0.00 -1.18 0.00 0.00 61.69 59.47 1c3t s THR 22 Cb -0.21 -2.21 0.54 0.00 1.34 0.00 0.00 72.50 71.96 1c3t s THR 22 CO 0.63 -0.46 1.81 0.58 -0.54 0.00 0.00 174.62 176.64 1c3t h VAL 23 N 2.52 0.42 -0.08 2.29 2.07 -1.46 0.18 116.25 122.19 1c3t h VAL 23 Ca -0.38 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1c3t h VAL 23 Cb 1.22 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1c3t h VAL 23 CO 0.64 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 177.92 1c3t h GLU 24 N 0.00 0.13 -0.14 1.57 5.08 -1.87 0.49 114.58 119.85 1c3t h GLU 24 Ca 0.53 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.88 1c3t h GLU 24 Cb 2.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.38 1c3t h GLU 24 CO -0.01 0.32 0.02 -0.91 -1.00 0.00 0.00 179.01 177.43 1c3t h ASN 25 N -0.08 -0.02 0.35 1.42 4.21 -1.06 -0.55 115.58 119.86 1c3t h ASN 25 Ca 0.03 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 1c3t h ASN 25 Cb 0.25 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1c3t h ASN 25 CO 0.00 0.01 -0.17 0.25 -1.29 0.00 0.00 177.43 176.23 1c3t h LEU 26 N 0.07 -0.41 -0.59 1.61 5.85 -1.40 -2.31 115.31 118.13 1c3t h LEU 26 Ca 0.06 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.92 1c3t h LEU 26 Cb 0.06 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 1c3t h LEU 26 CO -0.09 -0.29 0.01 0.11 -0.34 0.00 0.00 178.44 177.83 1c3t h LYS 27 N -0.48 0.12 -0.53 1.25 1.57 -0.72 -0.16 116.57 117.61 1c3t h LYS 27 Ca -0.05 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1c3t h LYS 27 Cb 0.37 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 1c3t h LYS 27 CO 0.08 0.08 0.12 0.00 -0.57 0.00 0.00 179.45 179.16 1c3t h ALA 28 N 1.54 0.62 -0.78 3.86 0.00 -0.85 0.84 119.26 124.48 1c3t h ALA 28 Ca 0.31 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1c3t h ALA 28 Cb 0.49 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1c3t h ALA 28 CO -0.50 -0.29 0.51 0.87 0.00 0.00 0.00 179.25 179.83 1c3t h LYS 29 N 0.26 0.68 0.00 0.00 1.79 -0.49 0.29 116.57 119.10 1c3t h LYS 29 Ca 0.27 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1c3t h LYS 29 Cb 0.37 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1c3t h LYS 29 CO -0.34 0.45 -0.06 0.82 -1.08 0.00 0.00 179.45 179.24 1c3t h ILE 30 N 0.70 0.12 0.00 1.86 2.04 -0.22 -1.90 117.51 120.11 1c3t h ILE 30 Ca 0.36 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1c3t h ILE 30 Cb 0.47 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1c3t h ILE 30 CO -0.14 0.06 -1.04 -0.61 0.00 0.00 0.00 178.15 176.42 1c3t h GLN 31 N 0.00 0.00 0.00 2.37 4.15 0.11 -1.32 115.11 120.43 1c3t h GLN 31 Ca -0.00 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.20 1c3t h GLN 31 Cb 0.84 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1c3t h GLN 31 CO 0.01 0.12 -1.54 -3.47 -1.93 0.00 0.00 178.83 172.02 1c3t n ASP 32 N -2.81 0.85 -0.13 -0.69 -0.08 0.46 -2.60 116.55 111.57 1c3t n ASP 32 Ca -0.03 0.39 -0.25 0.00 -1.51 0.00 0.00 54.79 53.39 1c3t n ASP 32 Cb 0.65 0.10 -0.08 0.00 2.34 0.00 0.00 41.12 44.13 1c3t n ASP 32 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1c3t n LYS 33 N -2.94 0.56 0.00 -0.67 5.02 -0.72 -4.55 118.16 114.86 1c3t n LYS 33 Ca -0.13 0.24 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1c3t n LYS 33 Cb 0.92 -1.45 0.33 0.00 -0.02 0.00 0.00 35.03 34.81 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 -4.26 0.44 -1.98 1.97 -0.58 -0.55 -4.94 120.64 110.75 1c3t n GLU 34 Ca -0.45 -0.25 -0.17 0.00 -0.42 0.00 0.00 57.16 55.87 1c3t n GLU 34 Cb 0.80 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 30.14 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 1.41 0.50 3.75 0.62 0.00 -0.89 -4.93 105.19 105.65 1c3t n GLY 35 Ca 0.09 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.75 5.34 0.29 -0.61 -1.09 -0.96 -4.91 121.20 116.50 1c3t s ILE 36 Ca 0.00 0.44 -0.27 0.00 -2.23 0.00 0.00 60.65 58.59 1c3t s ILE 36 Cb 0.00 -3.57 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 1c3t s ILE 36 CO 0.00 0.44 0.93 -2.16 -1.23 0.00 0.00 174.94 172.92 1c3t s PRO 37 N 0.20 4.67 0.63 2.79 0.04 -1.26 -3.04 135.00 139.03 1c3t s PRO 37 Ca 0.15 1.36 0.36 0.00 0.04 0.00 0.00 61.00 62.91 1c3t s PRO 37 Cb -0.13 -2.97 2.06 0.00 0.04 0.00 0.00 34.50 33.50 1c3t s PRO 37 CO 0.03 0.37 2.26 -1.00 0.04 0.00 0.00 177.00 178.70 1c3t h PRO 38 N 3.53 0.00 -0.26 0.56 0.13 -1.91 -0.60 132.00 133.46 1c3t h PRO 38 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 1c3t h PRO 38 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c3t h PRO 38 CO 0.66 0.00 -0.41 0.22 -0.23 0.00 0.00 178.00 178.24 1c3t h ASP 39 N 0.00 0.65 -0.23 1.44 3.58 -1.98 -3.04 116.42 116.85 1c3t h ASP 39 Ca 0.01 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1c3t h ASP 39 Cb 0.12 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1c3t h ASP 39 CO -0.00 0.98 0.00 0.00 -2.88 0.00 0.00 179.24 177.34 1c3t n GLN 40 N -4.03 2.20 -3.31 0.28 6.02 -0.58 -4.65 117.38 113.31 1c3t n GLN 40 Ca -0.02 -2.01 -0.38 0.00 -0.01 0.00 0.00 57.00 54.58 1c3t n GLN 40 Cb 0.52 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.53 4.33 -0.30 -1.09 -0.21 -0.34 -0.82 119.66 119.71 1c3t s GLN 41 Ca 0.31 0.46 0.00 0.00 0.02 0.00 0.00 55.36 56.15 1c3t s GLN 41 Cb 0.19 -3.43 0.09 0.00 1.00 0.00 0.00 33.01 30.87 1c3t s GLN 41 CO 0.28 0.17 0.07 0.50 -2.12 0.00 0.00 175.29 174.19 1c3t s ARG 42 N 0.57 0.93 -0.27 2.91 3.52 0.11 -4.84 118.95 121.88 1c3t s ARG 42 Ca 0.26 -1.19 -0.20 0.00 -0.13 0.00 0.00 55.73 54.46 1c3t s ARG 42 Cb -0.15 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.94 1c3t s ARG 42 CO 0.11 -0.93 0.64 -0.51 -0.81 0.00 0.00 175.30 173.80 1c3t s LEU 43 N 1.47 4.09 -0.24 -0.88 1.43 -1.26 0.41 118.68 123.70 1c3t s LEU 43 Ca 0.08 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 1c3t s LEU 43 Cb -0.18 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 1c3t s LEU 43 CO -0.19 -0.42 0.06 -0.63 0.23 0.00 0.00 176.35 175.39 1c3t s ILE 44 N 2.57 4.27 -0.22 -0.59 -1.09 -0.23 -1.91 121.20 124.01 1c3t s ILE 44 Ca 0.26 -0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1c3t s ILE 44 Cb -0.15 -2.98 0.06 0.00 -1.58 0.00 0.00 42.46 37.81 1c3t s ILE 44 CO 0.10 0.36 -0.00 0.12 -1.23 0.00 0.00 174.94 174.29 1c3t s PHE 45 N 1.42 1.76 -1.11 3.97 5.36 0.14 -3.11 117.98 126.41 1c3t s PHE 45 Ca 0.05 -1.37 -0.17 0.00 -0.96 0.00 0.00 56.93 54.49 1c3t s PHE 45 Cb -0.15 -1.35 -0.02 0.00 -0.34 0.00 0.00 43.02 41.16 1c3t s PHE 45 CO 0.03 -0.71 0.83 0.00 -1.46 0.00 0.00 175.22 173.91 1c3t n ALA 46 N 4.85 -2.54 -1.38 11.12 0.00 -1.26 -0.85 120.51 130.45 1c3t n ALA 46 Ca -0.10 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1c3t n ALA 46 Cb 0.45 -4.59 -0.06 0.00 0.00 0.00 0.00 19.45 15.25 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 1.34 3.06 0.00 0.00 -1.26 -4.93 105.19 101.84 1c3t n GLY 47 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.13 2.02 -0.13 1.61 1.02 -0.03 -5.12 119.74 115.98 1c3t s LYS 48 Ca 0.00 -0.52 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 1c3t s LYS 48 Cb 0.00 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 1c3t s LYS 48 CO 0.00 0.04 0.72 -1.14 -0.92 0.00 0.00 175.35 174.05 1c3t s GLN 49 N 0.67 4.34 0.14 1.68 -0.44 -1.26 0.26 119.66 125.04 1c3t s GLN 49 Ca -0.14 0.85 -0.31 0.00 -2.50 0.00 0.00 55.36 53.26 1c3t s GLN 49 Cb -0.16 -3.52 -0.09 0.00 -1.64 0.00 0.00 33.01 27.61 1c3t s GLN 49 CO 0.04 -0.13 1.45 -0.51 0.50 0.00 0.00 175.29 176.64 1c3t s LEU 50 N 1.48 4.37 -0.14 3.68 1.43 -0.80 -4.98 118.68 123.71 1c3t s LEU 50 Ca 0.35 2.43 -0.13 0.00 -1.03 0.00 0.00 54.13 55.75 1c3t s LEU 50 Cb -0.17 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1c3t s LEU 50 CO 0.14 -0.71 0.29 -1.61 0.23 0.00 0.00 176.35 174.70 1c3t s GLU 51 N 1.04 4.15 -0.74 1.70 0.41 -1.26 -4.80 118.70 119.20 1c3t s GLU 51 Ca 0.66 0.11 -0.26 0.00 -0.41 0.00 0.00 54.97 55.07 1c3t s GLU 51 Cb -0.39 -3.38 -0.09 0.00 -1.78 0.00 0.00 34.13 28.48 1c3t s GLU 51 CO 0.31 0.33 2.24 0.34 -0.49 0.00 0.00 175.26 177.99 1c3t s ASP 52 N 0.18 4.45 0.00 -0.19 -1.08 -1.26 -1.93 116.67 116.84 1c3t s ASP 52 Ca 0.17 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 1c3t s ASP 52 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1c3t s ASP 52 CO 0.05 -3.25 0.00 0.61 0.52 0.00 0.00 175.17 173.09 1c3t n GLY 53 N 6.55 0.43 3.92 2.66 0.00 -1.26 -4.92 105.19 112.58 1c3t n GLY 53 Ca 0.40 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 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 3.53 0.01 1.61 1.81 -0.81 -4.88 118.95 120.22 1c3t s ARG 54 Ca 0.00 -0.12 -0.10 0.00 -1.72 0.00 0.00 55.73 53.79 1c3t s ARG 54 Cb 0.00 -2.58 -0.05 0.00 -0.45 0.00 0.00 34.95 31.87 1c3t s ARG 54 CO 0.00 0.07 0.33 0.95 -0.68 0.00 0.00 175.30 175.97 1c3t s THR 55 N -2.38 5.19 0.36 0.02 -4.23 -1.26 -1.40 115.64 111.94 1c3t s THR 55 Ca 0.43 0.47 0.16 0.00 -1.18 0.00 0.00 61.69 61.57 1c3t s THR 55 Cb -0.10 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.49 1c3t s THR 55 CO 0.37 0.45 1.71 -0.07 -0.54 0.00 0.00 174.62 176.54 1c3t h LEU 56 N 4.28 0.51 -1.69 4.79 3.38 -1.40 0.83 115.31 126.01 1c3t h LEU 56 Ca -0.51 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1c3t h LEU 56 Cb 1.21 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1c3t h LEU 56 CO 0.63 -0.01 0.13 0.77 0.09 0.00 0.00 178.44 180.05 1c3t h SER 57 N 0.39 0.29 0.08 -0.43 4.64 -1.61 -0.72 113.55 116.20 1c3t h SER 57 Ca 0.68 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1c3t h SER 57 Cb 1.60 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1c3t h SER 57 CO -0.46 0.25 -0.01 0.44 -0.87 0.00 0.00 176.83 176.18 1c3t h ASP 58 N 0.34 0.00 -0.63 4.97 3.32 0.42 -0.13 116.42 124.71 1c3t h ASP 58 Ca 0.09 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.93 1c3t h ASP 58 Cb 0.02 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.45 1c3t h ASP 58 CO -0.01 0.01 0.21 -1.22 -1.72 0.00 0.00 179.24 176.50 1c3t n TYR 59 N -3.29 2.07 -4.26 4.55 4.01 -0.29 -4.93 117.16 115.02 1c3t n TYR 59 Ca -0.03 -1.28 -0.37 0.00 -0.16 0.00 0.00 57.90 56.06 1c3t n TYR 59 Cb 0.10 -0.63 -0.04 0.00 -0.31 0.00 0.00 39.34 38.46 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 -0.47 -2.80 -4.78 7.72 6.94 -0.06 -4.89 115.26 116.93 1c3t n ASN 60 Ca 0.39 -1.03 -0.32 0.00 -0.02 0.00 0.00 54.58 53.59 1c3t n ASN 60 Cb 1.29 -2.33 0.05 0.00 -2.36 0.00 0.00 39.78 36.43 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 -7.18 3.30 0.00 -4.53 1.43 -1.15 -5.05 118.68 105.50 1c3t s LEU 61 Ca 0.75 1.90 -0.06 0.00 -1.03 0.00 0.00 54.13 55.69 1c3t s LEU 61 Cb -0.42 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.26 1c3t s LEU 61 CO 0.92 -1.63 0.11 -1.10 0.23 0.00 0.00 176.35 174.88 1c3t s GLN 62 N -4.36 0.43 0.12 1.70 -0.21 -1.26 -4.87 119.66 111.21 1c3t s GLN 62 Ca 0.64 -0.38 -0.34 0.00 0.02 0.00 0.00 55.36 55.30 1c3t s GLN 62 Cb -0.18 0.18 -0.18 0.00 1.00 0.00 0.00 33.01 33.83 1c3t s GLN 62 CO 0.45 -0.10 0.96 0.36 -2.12 0.00 0.00 175.29 174.84 1c3t n LYS 63 N 1.60 0.44 -2.14 2.91 0.00 -1.26 -3.76 118.16 115.96 1c3t n LYS 63 Ca -0.22 0.16 -0.03 0.00 -0.00 0.00 0.00 58.31 58.21 1c3t n LYS 63 Cb 0.56 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 34.07 1c3t n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1c3t n GLU 64 N 1.46 -1.22 -4.42 -1.58 1.02 0.43 -4.95 120.64 111.38 1c3t n GLU 64 Ca 0.18 1.33 -0.21 0.00 -0.02 0.00 0.00 57.16 58.43 1c3t n GLU 64 Cb 0.19 -3.44 -0.10 0.00 -0.02 0.00 0.00 31.44 28.06 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 -1.62 2.86 -0.45 1.62 0.01 -1.25 -4.93 113.70 109.94 1c3t s SER 65 Ca 0.10 -1.13 0.04 0.00 1.31 0.00 0.00 55.95 56.27 1c3t s SER 65 Cb -0.03 -0.19 0.12 0.00 0.21 0.00 0.00 66.02 66.14 1c3t s SER 65 CO 0.37 -0.25 0.18 -0.89 0.41 0.00 0.00 173.24 173.06 1c3t s THR 66 N -2.92 2.43 -0.14 1.44 2.01 -1.26 -0.47 115.64 116.73 1c3t s THR 66 Ca 0.28 -2.94 -0.09 0.00 0.31 0.00 0.00 61.69 59.25 1c3t s THR 66 Cb 0.02 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1c3t s THR 66 CO 0.11 -0.73 0.16 -0.63 -0.69 0.00 0.00 174.62 172.84 1c3t s ILE 67 N 0.17 5.44 -0.09 1.82 1.09 -0.98 -4.97 121.20 123.68 1c3t s ILE 67 Ca 0.15 0.26 -0.12 0.00 -1.10 0.00 0.00 60.65 59.84 1c3t s ILE 67 Cb -0.23 -3.45 -0.05 0.00 -1.06 0.00 0.00 42.46 37.66 1c3t s ILE 67 CO -0.03 0.55 0.28 -1.00 -0.10 0.00 0.00 174.94 174.64 1c3t s HIS 68 N -0.53 3.61 -0.22 3.97 3.76 -1.18 -1.20 115.29 123.50 1c3t s HIS 68 Ca 0.14 0.72 -0.06 0.00 -0.15 0.00 0.00 55.06 55.71 1c3t s HIS 68 Cb -0.12 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.36 1c3t s HIS 68 CO 0.03 0.56 0.02 -1.17 -0.85 0.00 0.00 174.74 173.33 1c3t s LEU 69 N -0.62 3.30 0.09 0.89 0.20 -0.25 -1.06 118.68 121.23 1c3t s LEU 69 Ca 0.19 -0.21 0.09 0.00 0.69 0.00 0.00 54.13 54.89 1c3t s LEU 69 Cb -0.14 -1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 1c3t s LEU 69 CO 0.07 0.03 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.26 1c3t s VAL 70 N 1.20 2.55 0.73 1.68 1.01 0.17 -3.68 120.40 124.06 1c3t s VAL 70 Ca 0.04 -1.46 -0.13 0.00 0.00 0.00 0.00 61.98 60.42 1c3t s VAL 70 Cb -0.14 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1c3t s VAL 70 CO 0.02 0.21 1.13 -0.76 0.00 0.00 0.00 175.10 175.70 1c3t s LEU 71 N -1.76 3.21 -0.66 3.92 2.01 -1.26 0.06 118.68 124.21 1c3t s LEU 71 Ca 0.15 2.04 0.05 0.00 0.01 0.00 0.00 54.13 56.37 1c3t s LEU 71 Cb -0.10 -4.55 0.30 0.00 0.01 0.00 0.00 46.19 41.84 1c3t s LEU 71 CO 0.06 -2.03 0.93 -1.14 1.01 0.00 0.00 176.35 175.18 1c3t n ARG 72 N -3.00 3.09 -3.76 1.70 0.63 0.00 -4.72 116.66 110.61 1c3t n ARG 72 Ca 0.11 -4.76 -0.29 0.00 -0.92 0.00 0.00 57.85 51.99 1c3t n ARG 72 Cb 0.52 -2.27 -0.13 0.00 0.45 0.00 0.00 32.46 31.03 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 -3.03 3.31 0.00 6.15 0.20 -1.26 -4.67 118.68 119.38 1c3t s LEU 73 Ca 0.43 -3.00 0.00 0.00 0.69 0.00 0.00 54.13 52.25 1c3t s LEU 73 Cb 0.20 -1.21 0.00 0.00 -0.43 0.00 0.00 46.19 44.75 1c3t s LEU 73 CO -0.07 -0.21 0.00 -1.14 -0.29 0.00 0.00 176.35 174.64 1c3t n ARG 74 N 3.06 0.00 0.00 1.98 0.63 -1.26 -4.91 116.66 116.16 1c3t n ARG 74 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1c3t n ARG 74 Cb 0.36 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.27 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 0.00 0.02 0.00 5.14 0.00 -1.26 -5.22 105.19 103.87 1c3t n GLY 75 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1c3t n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93