#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n n SER 2 N 0.00 -0.95 -4.32 1.61 2.88 -1.26 -4.91 113.62 106.68 2e5n n SER 2 Ca 0.00 -1.15 -0.38 0.00 -1.33 0.00 0.00 58.87 56.01 2e5n n SER 2 Cb 0.00 -2.21 -0.12 0.00 -0.75 0.00 0.00 64.21 61.13 2e5n n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e5n s SER 3 N -3.88 5.34 0.00 -3.46 1.04 -1.26 -5.09 113.70 106.39 2e5n s SER 3 Ca 0.36 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2e5n s SER 3 Cb -0.20 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2e5n s SER 3 CO 0.96 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.50 2e5n n GLY 4 N 4.86 0.62 0.00 7.32 0.00 -1.26 -5.07 105.19 111.66 2e5n n GLY 4 Ca -0.13 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2e5n n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e5n n SER 5 N 0.00 0.00 -4.64 1.61 7.64 -1.26 -4.83 113.62 112.14 2e5n n SER 5 Ca 0.00 0.22 -0.50 0.00 1.01 0.00 0.00 58.87 59.60 2e5n n SER 5 Cb 0.00 -0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 2e5n n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2e5n n SER 6 N -1.46 3.02 0.00 6.43 3.41 -1.26 -4.76 113.62 119.00 2e5n n SER 6 Ca 0.00 0.84 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2e5n n SER 6 Cb 0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 2e5n n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5n n GLY 7 N 4.84 -0.13 3.46 5.00 0.00 -1.26 -5.16 105.19 111.93 2e5n n GLY 7 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 2e5n n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e5n s THR 8 N -0.65 0.60 0.08 2.61 2.01 -1.26 -5.04 115.64 113.99 2e5n s THR 8 Ca 0.00 -2.00 -0.31 0.00 0.31 0.00 0.00 61.69 59.69 2e5n s THR 8 Cb 0.00 -2.45 -0.17 0.00 0.01 0.00 0.00 72.50 69.89 2e5n s THR 8 CO 0.00 0.00 1.64 0.40 -0.69 0.00 0.00 174.62 175.97 2e5n h ILE 9 N 1.94 0.44 -0.87 1.82 1.08 -2.01 -2.21 117.51 117.69 2e5n h ILE 9 Ca -0.35 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.35 2e5n h ILE 9 Cb 1.26 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.40 2e5n h ILE 9 CO 0.57 0.00 0.60 0.77 -0.69 0.00 0.00 178.15 179.40 2e5n h SER 10 N -0.73 0.17 0.70 1.72 4.64 -1.97 0.57 113.55 118.65 2e5n h SER 10 Ca -0.06 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 2e5n h SER 10 Cb 0.57 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2e5n h SER 10 CO 0.09 0.06 -0.38 1.56 -0.87 0.00 0.00 176.83 177.29 2e5n h GLN 11 N 0.16 0.00 -7.17 4.77 1.08 -1.82 -3.45 115.11 108.69 2e5n h GLN 11 Ca 0.43 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 57.14 2e5n h GLN 11 Cb 1.44 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 28.93 2e5n h GLN 11 CO -0.08 0.38 0.38 1.03 -0.95 0.00 0.00 178.83 179.60 2e5n s ARG 12 N -3.75 3.30 0.07 1.46 1.81 0.20 -4.97 118.95 117.08 2e5n s ARG 12 Ca -0.01 1.30 -0.31 0.00 -1.72 0.00 0.00 55.73 54.99 2e5n s ARG 12 Cb 0.12 -2.03 -0.07 0.00 -0.45 0.00 0.00 34.95 32.52 2e5n s ARG 12 CO 0.69 -0.83 1.39 -1.25 -0.68 0.00 0.00 175.30 174.62 2e5n s PRO 13 N -3.88 4.31 0.06 3.54 0.04 -1.26 -4.89 135.00 132.92 2e5n s PRO 13 Ca 0.66 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 2e5n s PRO 13 Cb -0.18 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2e5n s PRO 13 CO 0.34 -0.48 0.91 0.98 0.04 0.00 0.00 177.00 178.79 2e5n n TYR 14 N 4.46 -0.15 -0.28 0.56 9.36 -1.26 -0.20 117.16 129.64 2e5n n TYR 14 Ca 0.12 0.44 -0.06 0.00 3.32 0.00 0.00 57.90 61.72 2e5n n TYR 14 Cb 0.43 -0.46 -0.05 0.00 -0.63 0.00 0.00 39.34 38.63 2e5n n TYR 14 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2e5n n ARG 15 N -3.79 -0.27 -0.10 2.98 0.63 -1.26 0.72 116.66 115.57 2e5n n ARG 15 Ca 0.01 1.04 -0.08 0.00 -0.92 0.00 0.00 57.85 57.90 2e5n n ARG 15 Cb 0.09 -1.53 -0.01 0.00 0.45 0.00 0.00 32.46 31.46 2e5n n ARG 15 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2e5n h ASP 16 N 0.00 -0.99 -0.63 6.15 5.19 -0.96 0.24 116.42 125.41 2e5n h ASP 16 Ca 0.13 0.18 0.14 0.00 -0.62 0.00 0.00 57.03 56.86 2e5n h ASP 16 Cb 0.31 0.47 -0.04 0.00 0.18 0.00 0.00 39.33 40.25 2e5n h ASP 16 CO -0.65 -0.31 0.43 0.03 -3.12 0.00 0.00 179.24 175.62 2e5n h ARG 17 N -0.25 0.24 0.28 3.56 3.08 0.71 0.27 114.38 122.26 2e5n h ARG 17 Ca 0.16 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2e5n h ARG 17 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2e5n h ARG 17 CO -0.50 0.16 -0.14 0.28 -1.07 0.00 0.00 179.97 178.71 2e5n h VAL 18 N 0.25 0.00 -0.85 2.04 2.07 0.14 -3.13 116.25 116.76 2e5n h VAL 18 Ca 0.30 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2e5n h VAL 18 Cb 0.85 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 2e5n h VAL 18 CO -0.06 0.00 0.49 0.16 0.02 0.00 0.00 177.57 178.18 2e5n h ILE 19 N -0.81 0.90 -0.13 4.57 3.07 -0.73 0.14 117.51 124.52 2e5n h ILE 19 Ca -0.04 -0.28 0.04 0.00 1.55 0.00 0.00 64.86 66.13 2e5n h ILE 19 Cb 0.29 0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 36.86 2e5n h ILE 19 CO 0.06 0.15 0.22 0.45 -1.05 0.00 0.00 178.15 177.98 2e5n h HIS 20 N 0.81 0.00 0.00 0.16 3.86 -0.58 0.21 115.15 119.61 2e5n h HIS 20 Ca 0.41 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.43 2e5n h HIS 20 Cb 0.39 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2e5n h HIS 20 CO -0.06 0.00 -1.17 1.28 0.86 0.00 0.00 177.93 178.85 2e5n n LEU 21 N -3.45 1.85 0.20 2.43 4.77 0.37 -4.21 117.00 118.95 2e5n n LEU 21 Ca 0.00 0.46 0.09 0.00 -0.03 0.00 0.00 56.01 56.54 2e5n n LEU 21 Cb 0.32 -0.94 0.62 0.00 -2.33 0.00 0.00 43.42 41.09 2e5n n LEU 21 CO 0.23 0.14 1.09 -0.07 -1.33 0.00 0.00 177.39 177.45 2e5n h LEU 22 N -1.00 0.05 -0.06 2.23 3.38 -0.83 -3.03 115.31 116.05 2e5n h LEU 22 Ca -0.30 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2e5n h LEU 22 Cb 1.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2e5n h LEU 22 CO -0.18 0.04 -0.31 0.00 0.09 0.00 0.00 178.44 178.07 2e5n h ALA 23 N 1.94 -0.71 -0.85 1.53 0.00 -0.77 -1.65 119.26 118.76 2e5n h ALA 23 Ca 0.05 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.14 2e5n h ALA 23 Cb 0.12 0.82 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 2e5n h ALA 23 CO -0.00 -0.82 0.17 -0.07 0.00 0.00 0.00 179.25 178.52 2e5n h LEU 24 N -0.35 -0.10 -7.64 0.00 3.38 -1.72 -3.45 115.31 105.44 2e5n h LEU 24 Ca 0.02 0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.32 2e5n h LEU 24 Cb 0.40 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 2e5n h LEU 24 CO -0.24 -0.16 0.41 -1.59 0.09 0.00 0.00 178.44 176.95 2e5n s LYS 25 N -5.99 1.30 0.30 1.13 -2.85 -0.62 -5.03 119.74 107.98 2e5n s LYS 25 Ca -0.12 -0.69 -0.29 0.00 -1.00 0.00 0.00 55.97 53.86 2e5n s LYS 25 Cb 0.25 0.46 -0.10 0.00 -2.06 0.00 0.00 37.83 36.38 2e5n s LYS 25 CO 0.77 -0.59 1.21 0.00 0.10 0.00 0.00 175.35 176.83 2e5n s ALA 26 N -3.44 3.46 0.14 0.59 0.00 -1.25 -4.03 121.76 117.23 2e5n s ALA 26 Ca 0.11 1.09 0.06 0.00 0.00 0.00 0.00 51.96 53.21 2e5n s ALA 26 Cb -0.02 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2e5n s ALA 26 CO 0.01 -0.41 -0.13 0.71 0.00 0.00 0.00 175.76 175.94 2e5n s TYR 27 N -1.10 1.38 0.10 0.00 1.51 -0.68 -4.89 117.35 113.67 2e5n s TYR 27 Ca 0.47 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 2e5n s TYR 27 Cb -0.36 -0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 2e5n s TYR 27 CO 0.47 0.15 0.30 0.15 -1.11 0.00 0.00 175.55 175.50 2e5n s LYS 28 N -3.07 3.54 0.19 -0.62 3.01 -1.26 0.24 119.74 121.78 2e5n s LYS 28 Ca 0.12 -0.23 -0.14 0.00 -1.01 0.00 0.00 55.97 54.71 2e5n s LYS 28 Cb -0.02 -2.94 0.21 0.00 -1.01 0.00 0.00 37.83 34.06 2e5n s LYS 28 CO 0.03 0.54 1.29 1.17 0.51 0.00 0.00 175.35 178.89 2e5n n LYS 29 N 0.25 -0.19 -0.01 1.68 3.00 -1.26 0.76 118.16 122.39 2e5n n LYS 29 Ca -0.04 1.28 -0.13 0.00 -0.00 0.00 0.00 58.31 59.42 2e5n n LYS 29 Cb 0.52 -1.90 -0.10 0.00 0.00 0.00 0.00 35.03 33.54 2e5n n LYS 29 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2e5n h PRO 30 N 0.00 0.01 0.41 1.64 0.13 -1.96 -3.12 132.00 129.11 2e5n h PRO 30 Ca 0.29 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.40 2e5n h PRO 30 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2e5n h PRO 30 CO -0.83 0.50 -0.29 1.49 -0.23 0.00 0.00 178.00 178.63 2e5n h GLU 31 N -0.47 -0.65 -0.94 0.86 4.81 -1.33 -2.62 114.58 114.24 2e5n h GLU 31 Ca 0.00 0.04 0.32 0.00 -0.13 0.00 0.00 59.36 59.59 2e5n h GLU 31 Cb 0.49 0.15 -0.17 0.00 0.63 0.00 0.00 28.75 29.85 2e5n h GLU 31 CO 0.00 -0.43 0.23 -0.11 -0.73 0.00 0.00 179.01 177.97 2e5n n LEU 32 N -4.16 0.08 0.24 1.64 0.00 0.23 -0.58 117.00 114.45 2e5n n LEU 32 Ca -0.08 1.59 -0.13 0.00 0.00 0.00 0.00 56.01 57.39 2e5n n LEU 32 Cb 0.29 -0.66 -0.07 0.00 0.00 0.00 0.00 43.42 42.98 2e5n n LEU 32 CO 0.19 -1.68 0.52 -0.07 0.00 0.00 0.00 177.39 176.34 2e5n h LEU 33 N 0.00 -0.95 -0.61 -1.96 3.38 -1.41 -2.83 115.31 110.94 2e5n h LEU 33 Ca 0.67 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.82 2e5n h LEU 33 Cb 1.59 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 42.53 2e5n h LEU 33 CO -0.82 -0.49 -0.20 0.00 0.09 0.00 0.00 178.44 177.02 2e5n n ALA 34 N -2.61 0.03 -0.21 1.53 0.00 0.25 0.24 120.51 119.73 2e5n n ALA 34 Ca -0.09 0.63 0.02 0.00 0.00 0.00 0.00 53.44 54.00 2e5n n ALA 34 Cb 0.34 -0.33 0.13 0.00 0.00 0.00 0.00 19.45 19.58 2e5n n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5n h ARG 35 N 0.00 0.28 0.07 0.00 2.47 -1.41 0.59 114.38 116.38 2e5n h ARG 35 Ca 0.25 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2e5n h ARG 35 Cb 0.40 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2e5n h ARG 35 CO -0.61 0.19 -0.03 -0.07 0.56 0.00 0.00 179.97 180.00 2e5n h LEU 36 N 0.29 -0.08 -1.71 3.04 3.38 0.31 -3.26 115.31 117.28 2e5n h LEU 36 Ca 0.34 -0.48 0.25 0.00 0.09 0.00 0.00 57.88 58.08 2e5n h LEU 36 Cb 0.51 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2e5n h LEU 36 CO -0.41 0.61 0.81 1.56 0.09 0.00 0.00 178.44 181.10 2e5n h GLN 37 N -0.94 0.00 -0.65 1.13 1.08 0.19 0.11 115.11 116.04 2e5n h GLN 37 Ca -0.01 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 2e5n h GLN 37 Cb 0.55 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.89 2e5n h GLN 37 CO 0.02 0.00 0.19 0.87 -0.95 0.00 0.00 178.83 178.96 2e5n h LYS 38 N 0.00 0.33 0.00 1.46 1.57 -0.92 -1.93 116.57 117.08 2e5n h LYS 38 Ca 0.40 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.96 2e5n h LYS 38 Cb 2.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.23 2e5n h LYS 38 CO -0.00 0.22 -1.36 -0.44 -0.57 0.00 0.00 179.45 177.29 2e5n h ASP 39 N 0.34 0.00 0.00 0.86 5.19 -0.99 -3.49 116.42 118.32 2e5n h ASP 39 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2e5n h ASP 39 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2e5n h ASP 39 CO -0.39 0.74 0.00 0.61 -3.12 0.00 0.00 179.24 177.08 2e5n n GLY 40 N 1.42 2.96 3.61 2.75 0.00 -0.72 -5.05 105.19 110.15 2e5n n GLY 40 Ca -0.10 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2e5n n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e5n s VAL 41 N 0.00 4.04 0.54 1.61 1.01 -1.26 -4.80 120.40 121.55 2e5n s VAL 41 Ca 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2e5n s VAL 41 Cb 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 2e5n s VAL 41 CO 0.00 0.58 1.03 0.21 0.00 0.00 0.00 175.10 176.91 2e5n s ASN 42 N -0.57 6.20 0.04 3.32 2.47 -1.26 -4.94 114.94 120.21 2e5n s ASN 42 Ca 0.09 1.76 -0.25 0.00 0.42 0.00 0.00 52.86 54.87 2e5n s ASN 42 Cb -0.12 -2.53 -0.17 0.00 -1.45 0.00 0.00 41.25 36.98 2e5n s ASN 42 CO 0.02 -0.88 1.50 -0.61 -3.72 0.00 0.00 177.10 173.42 2e5n h GLN 43 N 0.87 -0.20 -0.75 0.43 4.15 -1.99 -1.74 115.11 115.88 2e5n h GLN 43 Ca -0.47 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.18 2e5n h GLN 43 Cb 1.21 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 2e5n h GLN 43 CO 0.59 0.02 0.56 1.57 -1.93 0.00 0.00 178.83 179.64 2e5n h LYS 44 N -0.40 0.00 0.13 1.69 2.10 -2.00 0.20 116.57 118.29 2e5n h LYS 44 Ca -0.02 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.35 2e5n h LYS 44 Cb 0.31 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.65 2e5n h LYS 44 CO 0.04 0.00 -1.24 -0.44 -2.00 0.00 0.00 179.45 175.81 2e5n h ASP 45 N 0.00 0.50 -0.90 7.07 3.32 -1.85 -2.22 116.42 122.34 2e5n h ASP 45 Ca 0.36 -0.52 0.06 0.00 0.02 0.00 0.00 57.03 56.95 2e5n h ASP 45 Cb 1.48 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.81 2e5n h ASP 45 CO -0.00 1.39 0.57 0.11 -1.72 0.00 0.00 179.24 179.59 2e5n h LYS 46 N 0.11 1.02 0.00 3.56 1.57 0.28 0.48 116.57 123.59 2e5n h LYS 46 Ca -0.14 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.34 2e5n h LYS 46 Cb 1.95 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.99 2e5n h LYS 46 CO 0.21 0.67 -1.20 -0.91 -0.57 0.00 0.00 179.45 177.66 2e5n h ASN 47 N 1.05 0.00 -0.28 0.86 4.21 -1.55 -3.24 115.58 116.63 2e5n h ASN 47 Ca 0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.89 2e5n h ASN 47 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2e5n h ASN 47 CO -0.16 0.99 0.00 -1.20 -1.29 0.00 0.00 177.43 175.77 2e5n n SER 48 N -3.26 1.77 0.01 5.81 7.64 -0.84 -4.33 113.62 120.43 2e5n n SER 48 Ca -0.05 -1.88 -0.01 0.00 1.01 0.00 0.00 58.87 57.94 2e5n n SER 48 Cb 0.97 -0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2e5n n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2e5n h LEU 49 N 2.08 -0.04 -1.44 -3.43 6.46 -0.09 -3.06 115.31 115.80 2e5n h LEU 49 Ca 0.00 0.00 0.44 0.00 -0.12 0.00 0.00 57.88 58.20 2e5n h LEU 49 Cb 0.47 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.33 2e5n h LEU 49 CO 0.00 0.02 1.01 0.61 -0.62 0.00 0.00 178.44 179.46 2e5n n GLY 50 N 1.15 -0.76 0.09 3.75 0.00 -1.26 0.17 105.19 108.32 2e5n n GLY 50 Ca -0.01 0.57 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 2e5n n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5n h ALA 51 N 0.94 0.06 -0.51 4.61 0.00 -1.81 -3.20 119.26 119.36 2e5n h ALA 51 Ca 0.74 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 55.31 2e5n h ALA 51 Cb 2.80 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.55 2e5n h ALA 51 CO -0.12 -0.04 0.32 0.82 0.00 0.00 0.00 179.25 180.23 2e5n h ILE 52 N -0.43 1.09 -0.96 0.00 2.04 0.18 -1.19 117.51 118.23 2e5n h ILE 52 Ca -0.00 -0.22 0.21 0.00 1.00 0.00 0.00 64.86 65.84 2e5n h ILE 52 Cb 0.74 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 2e5n h ILE 52 CO 0.02 0.12 0.62 -0.07 0.00 0.00 0.00 178.15 178.84 2e5n h LEU 53 N 0.64 0.55 0.00 1.44 3.38 -1.40 0.74 115.31 120.66 2e5n h LEU 53 Ca 0.20 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2e5n h LEU 53 Cb -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2e5n h LEU 53 CO -0.07 0.19 -0.41 1.67 0.09 0.00 0.00 178.44 179.92 2e5n n GLN 54 N -4.61 0.17 0.04 1.13 7.27 -0.79 0.14 117.38 120.73 2e5n n GLN 54 Ca 0.22 0.07 0.06 0.00 0.07 0.00 0.00 57.00 57.41 2e5n n GLN 54 Cb 0.68 -1.63 -0.07 0.00 2.41 0.00 0.00 30.24 31.63 2e5n n GLN 54 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2e5n n GLN 55 N -1.88 0.63 0.00 3.69 1.13 0.21 -4.47 117.38 116.68 2e5n n GLN 55 Ca 0.05 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2e5n n GLN 55 Cb 0.40 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2e5n n GLN 55 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2e5n n VAL 56 N -2.68 0.00 -4.60 5.09 0.24 0.13 -5.05 118.33 111.46 2e5n n VAL 56 Ca -0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.96 2e5n n VAL 56 Cb 0.70 0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 33.16 2e5n n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e5n s ALA 57 N -1.55 3.30 -0.07 2.33 0.00 0.38 0.05 121.76 126.20 2e5n s ALA 57 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2e5n s ALA 57 Cb 0.00 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2e5n s ALA 57 CO 0.00 -0.22 -0.10 -0.80 0.00 0.00 0.00 175.76 174.64 2e5n s ASN 58 N -3.69 1.70 0.23 0.00 0.01 0.16 -3.76 114.94 109.58 2e5n s ASN 58 Ca 0.19 -0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 2e5n s ASN 58 Cb 0.03 -0.76 -0.09 0.00 0.41 0.00 0.00 41.25 40.84 2e5n s ASN 58 CO 0.11 -0.01 0.96 -0.22 -1.51 0.00 0.00 177.10 176.43 2e5n s LEU 59 N 0.88 4.62 -0.42 0.60 0.20 -1.26 -0.29 118.68 123.00 2e5n s LEU 59 Ca -0.11 1.96 0.02 0.00 0.69 0.00 0.00 54.13 56.70 2e5n s LEU 59 Cb -0.15 -3.61 0.11 0.00 -0.43 0.00 0.00 46.19 42.12 2e5n s LEU 59 CO 0.01 0.09 0.16 0.21 -0.29 0.00 0.00 176.35 176.53 2e5n s ASN 60 N -0.97 4.76 0.43 3.68 2.47 -0.33 -4.96 114.94 120.01 2e5n s ASN 60 Ca 0.42 -2.43 0.30 0.00 0.42 0.00 0.00 52.86 51.58 2e5n s ASN 60 Cb -0.26 -1.68 1.47 0.00 -1.45 0.00 0.00 41.25 39.32 2e5n s ASN 60 CO 0.33 -0.36 1.59 0.28 -3.72 0.00 0.00 177.10 175.21 2e5n h SER 61 N 7.33 0.22 -0.34 -4.21 0.02 -1.94 0.86 113.55 115.50 2e5n h SER 61 Ca -0.06 0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2e5n h SER 61 Cb 0.98 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 2e5n h SER 61 CO 0.61 -0.27 -0.23 0.50 -1.14 0.00 0.00 176.83 176.29 2e5n h LYS 62 N 0.02 -0.04 -0.09 3.45 1.63 -1.96 -2.91 116.57 116.68 2e5n h LYS 62 Ca 0.87 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.65 2e5n h LYS 62 Cb 2.72 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 34.34 2e5n h LYS 62 CO -0.50 -0.03 -0.11 -3.47 -3.45 0.00 0.00 179.45 171.89 2e5n n ASP 63 N -3.87 2.52 -3.91 4.20 2.03 -0.40 -4.96 116.55 112.15 2e5n n ASP 63 Ca 0.00 -3.32 -0.30 0.00 0.52 0.00 0.00 54.79 51.69 2e5n n ASP 63 Cb 0.11 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 39.97 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2e5n n LEU 64 N -1.17 -0.81 -4.69 -2.67 4.77 0.29 -4.90 117.00 107.82 2e5n n LEU 64 Ca 0.19 -0.73 -0.34 0.00 -0.03 0.00 0.00 56.01 55.10 2e5n n LEU 64 Cb 0.74 -1.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.17 2e5n n LEU 64 CO 0.05 0.10 -0.31 -0.94 -1.33 0.00 0.00 177.39 174.96 2e5n s SER 65 N -2.90 5.26 -0.23 -1.43 1.04 -1.19 -4.56 113.70 109.69 2e5n s SER 65 Ca 0.59 0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2e5n s SER 65 Cb -0.34 -1.47 -0.03 0.00 0.10 0.00 0.00 66.02 64.28 2e5n s SER 65 CO 0.72 0.35 0.46 -0.31 0.98 0.00 0.00 173.24 175.45 2e5n s TYR 66 N -0.94 3.33 -0.21 5.02 2.02 0.14 -1.19 117.35 125.50 2e5n s TYR 66 Ca 0.15 0.64 -0.07 0.00 -0.37 0.00 0.00 57.07 57.42 2e5n s TYR 66 Cb -0.11 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.78 2e5n s TYR 66 CO 0.04 -0.14 0.06 0.95 -1.57 0.00 0.00 175.55 174.89 2e5n s THR 67 N 1.79 4.45 0.14 -0.71 -4.23 0.60 -1.68 115.64 115.99 2e5n s THR 67 Ca 0.21 -0.14 -0.33 0.00 -1.18 0.00 0.00 61.69 60.25 2e5n s THR 67 Cb -0.15 -3.04 -0.12 0.00 1.34 0.00 0.00 72.50 70.53 2e5n s THR 67 CO 0.09 0.40 1.72 -0.11 -0.54 0.00 0.00 174.62 176.18 2e5n n LEU 68 N 4.26 3.64 0.00 4.79 0.00 -1.26 0.38 117.00 128.81 2e5n n LEU 68 Ca -0.16 1.04 -0.14 0.00 0.00 0.00 0.00 56.01 56.74 2e5n n LEU 68 Cb 0.52 -1.49 0.14 0.00 0.00 0.00 0.00 43.42 42.58 2e5n n LEU 68 CO 0.33 -0.01 0.16 0.29 0.00 0.00 0.00 177.39 178.16 2e5n n LYS 69 N 4.54 -1.30 -0.09 1.96 5.02 0.11 -4.86 118.16 123.54 2e5n n LYS 69 Ca 0.18 -0.67 -0.18 0.00 -2.02 0.00 0.00 58.31 55.61 2e5n n LYS 69 Cb 0.33 -1.36 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 2e5n n LYS 69 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2e5n n ASP 70 N -1.33 1.86 -0.12 4.39 5.75 -1.26 -4.29 116.55 121.55 2e5n n ASP 70 Ca 0.06 -0.04 -0.09 0.00 -0.01 0.00 0.00 54.79 54.72 2e5n n ASP 70 Cb 0.28 -0.42 0.06 0.00 -1.03 0.00 0.00 41.12 40.01 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2e5n h TYR 71 N 0.02 0.99 -0.34 2.11 -0.00 -1.94 -2.78 116.97 115.03 2e5n h TYR 71 Ca -0.53 -0.22 0.09 0.00 -0.00 0.00 0.00 58.73 58.07 2e5n h TYR 71 Cb 1.96 -0.24 -0.01 0.00 -0.00 0.00 0.00 36.73 38.43 2e5n h TYR 71 CO 0.04 0.98 0.24 0.28 -0.00 0.00 0.00 178.16 179.71 2e5n h VAL 72 N 0.77 0.85 -0.86 -0.90 2.07 -1.87 -1.01 116.25 115.30 2e5n h VAL 72 Ca 0.11 -0.01 0.25 0.00 0.82 0.00 0.00 66.70 67.86 2e5n h VAL 72 Cb 0.72 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2e5n h VAL 72 CO 0.06 0.01 0.65 -0.26 0.02 0.00 0.00 177.57 178.05 2e5n h PHE 73 N 0.04 0.00 0.03 1.57 0.04 -1.68 0.52 116.94 117.46 2e5n h PHE 73 Ca 0.16 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.72 2e5n h PHE 73 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2e5n h PHE 73 CO -0.00 0.00 -0.96 1.57 -0.60 0.00 0.00 178.31 178.32 2e5n h LYS 74 N 0.00 0.14 0.00 1.51 2.10 -1.36 -3.21 116.57 115.76 2e5n h LYS 74 Ca 0.41 -0.19 -0.11 0.00 -2.00 0.00 0.00 60.65 58.76 2e5n h LYS 74 Cb 1.71 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 33.08 2e5n h LYS 74 CO -0.00 1.00 -0.52 0.93 -2.00 0.00 0.00 179.45 178.85 2e5n h GLU 75 N 0.06 0.00 -6.26 0.07 5.08 -0.08 -3.45 114.58 110.00 2e5n h GLU 75 Ca -0.05 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.91 2e5n h GLU 75 Cb 1.64 0.00 0.21 0.00 0.50 0.00 0.00 28.75 31.11 2e5n h GLU 75 CO 0.14 0.52 -1.44 1.28 -1.00 0.00 0.00 179.01 178.51 2e5n n LEU 76 N -3.85 -2.38 -3.67 1.33 4.77 -0.75 -5.01 117.00 107.44 2e5n n LEU 76 Ca -0.01 -0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 2e5n n LEU 76 Cb 0.54 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.71 2e5n n LEU 76 CO 0.40 -2.86 -0.35 -1.10 -1.33 0.00 0.00 177.39 172.16 2e5n s GLN 77 N -2.90 0.18 0.58 3.23 -0.21 -1.26 -5.00 119.66 114.27 2e5n s GLN 77 Ca 0.43 0.03 0.28 0.00 0.02 0.00 0.00 55.36 56.12 2e5n s GLN 77 Cb -0.03 -1.37 1.70 0.00 1.00 0.00 0.00 33.01 34.31 2e5n s GLN 77 CO 0.57 -0.52 2.19 0.00 -2.12 0.00 0.00 175.29 175.41 2e5n h ARG 78 N 8.39 0.00 0.00 2.91 3.08 -1.98 0.19 114.38 126.97 2e5n h ARG 78 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2e5n h ARG 78 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2e5n h ARG 78 CO 0.25 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.90 2e5n n ASP 79 N -3.92 0.00 -4.68 7.04 8.00 -1.26 -4.84 116.55 116.89 2e5n n ASP 79 Ca -0.01 -0.78 -0.49 0.00 0.71 0.00 0.00 54.79 54.22 2e5n n ASP 79 Cb 0.17 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 2e5n n ASP 79 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2e5n n TRP 80 N -1.01 2.28 0.22 1.24 -0.00 0.67 -4.85 117.44 116.00 2e5n n TRP 80 Ca 0.19 0.09 0.09 0.00 -0.00 0.00 0.00 57.50 57.87 2e5n n TRP 80 Cb 0.09 -2.62 0.49 0.00 -0.00 0.00 0.00 31.31 29.27 2e5n n TRP 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2e5n h PRO 81 N 8.44 0.00 0.00 5.87 0.13 -1.89 -2.95 132.00 141.61 2e5n h PRO 81 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2e5n h PRO 81 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2e5n h PRO 81 CO 0.94 0.25 0.05 0.78 -0.23 0.00 0.00 178.00 179.79 2e5n h GLY 82 N 1.71 0.00 -6.81 1.56 0.00 -1.97 -3.39 103.07 94.17 2e5n h GLY 82 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.70 2e5n h GLY 82 CO 0.03 0.00 0.10 -0.19 0.00 0.00 0.00 176.54 176.48 2e5n s TYR 83 N -3.90 3.20 0.74 5.60 2.02 -1.11 -5.01 117.35 118.90 2e5n s TYR 83 Ca -0.04 0.49 -0.13 0.00 -0.37 0.00 0.00 57.07 57.03 2e5n s TYR 83 Cb 0.10 -2.97 0.18 0.00 -0.40 0.00 0.00 41.96 38.87 2e5n s TYR 83 CO 0.31 -0.49 0.71 0.43 -1.57 0.00 0.00 175.55 174.94 2e5n n SER 84 N 5.85 -1.38 0.19 2.29 7.64 -1.26 -4.35 113.62 122.59 2e5n n SER 84 Ca -0.02 -0.98 0.18 0.00 1.01 0.00 0.00 58.87 59.06 2e5n n SER 84 Cb 0.49 -0.63 0.82 0.00 -1.01 0.00 0.00 64.21 63.88 2e5n n SER 84 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2e5n h GLU 85 N 0.00 0.00 0.03 1.43 4.81 -1.97 -1.58 114.58 117.30 2e5n h GLU 85 Ca -0.26 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.59 2e5n h GLU 85 Cb 0.78 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 2e5n h GLU 85 CO 0.17 0.00 -2.23 -0.89 -0.73 0.00 0.00 179.01 175.33 2e5n n ILE 86 N -3.67 1.58 0.06 2.32 -0.00 -1.26 -4.29 119.36 114.10 2e5n n ILE 86 Ca 0.03 -0.49 -0.13 0.00 -0.00 0.00 0.00 62.75 62.16 2e5n n ILE 86 Cb 0.41 -1.67 -0.06 0.00 -0.00 0.00 0.00 39.64 38.32 2e5n n ILE 86 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2e5n h ASP 87 N -0.31 -1.16 -0.80 4.38 5.19 -1.71 0.35 116.42 122.37 2e5n h ASP 87 Ca -0.54 0.14 0.16 0.00 -0.62 0.00 0.00 57.03 56.18 2e5n h ASP 87 Cb 1.81 0.46 -0.15 0.00 0.18 0.00 0.00 39.33 41.62 2e5n h ASP 87 CO -0.13 -0.43 -0.20 0.03 -3.12 0.00 0.00 179.24 175.39 2e5n h ARG 88 N -0.54 0.00 0.00 3.56 3.08 -1.51 1.09 114.38 120.07 2e5n h ARG 88 Ca 0.05 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2e5n h ARG 88 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2e5n h ARG 88 CO -0.30 0.00 -0.21 0.07 -1.07 0.00 0.00 179.97 178.46 2e5n h ARG 89 N 0.00 0.00 0.00 0.04 0.11 -1.56 -2.01 114.38 110.96 2e5n h ARG 89 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 2e5n h ARG 89 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2e5n h ARG 89 CO -0.82 0.21 -0.06 1.03 0.10 0.00 0.00 179.97 180.42 2e5n h SER 90 N 0.00 0.00 0.01 0.08 0.87 0.51 -3.35 113.55 111.67 2e5n h SER 90 Ca -0.00 -0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 2e5n h SER 90 Cb 0.81 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 2e5n h SER 90 CO 0.03 0.00 -1.58 -0.11 -0.53 0.00 0.00 176.83 174.64 2e5n n LEU 91 N -2.91 1.93 -0.59 2.23 0.00 0.14 -4.17 117.00 113.63 2e5n n LEU 91 Ca 0.04 0.39 0.47 0.00 0.00 0.00 0.00 56.01 56.91 2e5n n LEU 91 Cb 0.51 -0.94 0.76 0.00 0.00 0.00 0.00 43.42 43.75 2e5n n LEU 91 CO 0.34 0.37 1.44 1.05 0.00 0.00 0.00 177.39 180.59 2e5n h GLU 92 N -0.94 0.00 0.17 1.96 4.11 -1.50 -0.46 114.58 117.92 2e5n h GLU 92 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 2e5n h GLU 92 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2e5n h GLU 92 CO -0.24 0.00 -0.08 1.03 0.07 0.00 0.00 179.01 179.79 2e5n h SER 93 N 0.00 -0.20 -0.54 3.06 0.87 -1.72 -3.01 113.55 112.01 2e5n h SER 93 Ca 0.82 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 61.44 2e5n h SER 93 Cb 3.47 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 65.41 2e5n h SER 93 CO -0.01 -0.10 -0.32 0.52 -0.53 0.00 0.00 176.83 176.39 2e5n n VAL 94 N -2.81 -0.37 -0.32 2.23 0.31 -0.20 0.77 118.33 117.94 2e5n n VAL 94 Ca -0.03 1.93 0.31 0.00 -0.01 0.00 0.00 64.34 66.54 2e5n n VAL 94 Cb 0.09 -2.45 0.57 0.00 -0.91 0.00 0.00 33.84 31.14 2e5n n VAL 94 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2e5n h LEU 95 N 0.00 0.32 -0.41 7.52 3.38 -1.64 1.28 115.31 125.76 2e5n h LEU 95 Ca 0.09 0.25 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 2e5n h LEU 95 Cb 0.22 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2e5n h LEU 95 CO -0.51 -0.40 -0.28 -1.28 0.09 0.00 0.00 178.44 176.06 2e5n h SER 96 N 0.04 0.96 -0.28 -0.43 0.87 0.51 0.52 113.55 115.74 2e5n h SER 96 Ca 0.83 -0.43 -0.08 0.00 -1.23 0.00 0.00 61.79 60.88 2e5n h SER 96 Cb 2.16 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 2e5n h SER 96 CO -0.76 1.19 -0.07 0.03 -0.53 0.00 0.00 176.83 176.69 2e5n h ARG 97 N 0.75 0.66 0.00 2.24 2.47 0.29 -3.35 114.38 117.44 2e5n h ARG 97 Ca 0.08 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2e5n h ARG 97 Cb 0.86 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 2e5n h ARG 97 CO 0.08 0.73 -0.10 0.87 0.56 0.00 0.00 179.97 182.10 2e5n h LYS 98 N 0.61 0.00 -5.63 0.04 1.79 -0.83 -3.43 116.57 109.13 2e5n h LYS 98 Ca 0.11 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.33 2e5n h LYS 98 Cb 0.49 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 2e5n h LYS 98 CO 0.03 0.00 0.72 -0.51 -1.08 0.00 0.00 179.45 178.60 2e5n s LEU 99 N -5.79 3.12 0.00 2.94 1.43 0.18 -5.09 118.68 115.48 2e5n s LEU 99 Ca -0.03 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2e5n s LEU 99 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.68 2e5n s LEU 99 CO 0.04 -3.05 0.04 -3.20 0.23 0.00 0.00 176.35 170.41