#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 -1.12 0.01 1.61 7.64 -1.26 -4.91 113.62 115.59 2e5n n SER 2 Ca 0.00 -0.88 -0.22 0.00 1.01 0.00 0.00 58.87 58.78 2e5n n SER 2 Cb 0.00 -3.76 -0.14 0.00 -1.01 0.00 0.00 64.21 59.30 2e5n n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2e5n h SER 3 N -1.85 0.40 -5.51 6.43 0.87 -2.14 -3.50 113.55 108.26 2e5n h SER 3 Ca -0.62 -0.88 -0.07 0.00 -1.23 0.00 0.00 61.79 58.99 2e5n h SER 3 Cb 1.36 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2e5n h SER 3 CO 0.58 1.75 -0.55 0.61 -0.53 0.00 0.00 176.83 178.69 2e5n n GLY 4 N 1.84 -1.10 1.98 5.77 0.00 -1.26 -4.85 105.19 107.58 2e5n n GLY 4 Ca -0.29 1.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.70 2e5n n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e5n n SER 5 N -0.56 6.20 -3.67 1.61 3.41 -1.26 -4.77 113.62 114.58 2e5n n SER 5 Ca 0.06 -2.95 -0.08 0.00 -0.26 0.00 0.00 58.87 55.65 2e5n n SER 5 Cb 0.50 -1.14 -0.09 0.00 -0.26 0.00 0.00 64.21 63.22 2e5n n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2e5n s SER 6 N 0.65 -0.55 -0.37 4.04 1.04 -1.26 -5.07 113.70 112.19 2e5n s SER 6 Ca 0.36 1.11 0.14 0.00 0.48 0.00 0.00 55.95 58.04 2e5n s SER 6 Cb 0.25 1.30 0.40 0.00 0.10 0.00 0.00 66.02 68.07 2e5n s SER 6 CO -0.05 -0.22 0.87 0.61 0.98 0.00 0.00 173.24 175.43 2e5n n GLY 7 N 4.90 2.99 3.65 7.32 0.00 -1.26 -5.10 105.19 117.69 2e5n n GLY 7 Ca -0.15 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 2e5n n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e5n s THR 8 N -3.09 2.50 -0.09 2.61 -4.23 -1.26 -5.05 115.64 107.03 2e5n s THR 8 Ca 0.35 -1.92 -0.15 0.00 -1.18 0.00 0.00 61.69 58.79 2e5n s THR 8 Cb 0.40 -2.86 -0.28 0.00 1.34 0.00 0.00 72.50 71.10 2e5n s THR 8 CO -0.04 -0.14 0.59 0.40 -0.54 0.00 0.00 174.62 174.89 2e5n h ILE 9 N 1.73 1.04 -0.48 2.99 1.08 -1.95 -3.38 117.51 118.52 2e5n h ILE 9 Ca -0.43 -2.42 0.06 0.00 -0.39 0.00 0.00 64.86 61.68 2e5n h ILE 9 Cb 1.25 2.74 -0.09 0.00 -3.07 0.00 0.00 36.82 37.65 2e5n h ILE 9 CO 0.69 0.73 -0.52 0.77 -0.69 0.00 0.00 178.15 179.13 2e5n h SER 10 N -0.24 -1.75 -1.55 1.72 4.64 -1.95 0.47 113.55 114.89 2e5n h SER 10 Ca -0.30 0.25 0.46 0.00 -0.47 0.00 0.00 61.79 61.72 2e5n h SER 10 Cb 1.81 0.74 -0.08 0.00 -0.31 0.00 0.00 62.40 64.56 2e5n h SER 10 CO 0.08 -0.37 1.09 1.56 -0.87 0.00 0.00 176.83 178.32 2e5n h GLN 11 N -0.33 0.04 -7.07 4.77 1.08 -2.01 -3.40 115.11 108.18 2e5n h GLN 11 Ca 0.11 -0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.83 2e5n h GLN 11 Cb 0.58 -0.01 0.04 0.00 -0.05 0.00 0.00 27.48 28.04 2e5n h GLN 11 CO -0.64 0.02 0.40 1.03 -0.95 0.00 0.00 178.83 178.70 2e5n s ARG 12 N -5.01 3.65 0.53 1.46 1.81 0.16 -5.01 118.95 116.54 2e5n s ARG 12 Ca -0.06 1.46 -0.20 0.00 -1.72 0.00 0.00 55.73 55.22 2e5n s ARG 12 Cb 0.26 -2.08 -0.06 0.00 -0.45 0.00 0.00 34.95 32.62 2e5n s ARG 12 CO 0.85 -0.57 1.13 -1.25 -0.68 0.00 0.00 175.30 174.78 2e5n s PRO 13 N -3.22 3.41 0.05 3.54 0.04 -1.26 -4.91 135.00 132.65 2e5n s PRO 13 Ca 0.69 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 2e5n s PRO 13 Cb -0.19 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2e5n s PRO 13 CO 0.23 -0.81 1.28 -0.92 0.04 0.00 0.00 177.00 176.83 2e5n h TYR 14 N 1.31 -0.77 -0.70 0.56 3.20 -1.94 -2.19 116.97 116.44 2e5n h TYR 14 Ca -0.50 0.02 0.17 0.00 3.14 0.00 0.00 58.73 61.56 2e5n h TYR 14 Cb 1.26 0.32 -0.13 0.00 1.54 0.00 0.00 36.73 39.72 2e5n h TYR 14 CO 0.52 -0.32 -0.06 -2.13 -1.64 0.00 0.00 178.16 174.53 2e5n n ARG 15 N -3.98 -0.06 0.36 1.82 0.63 -1.26 0.58 116.66 114.75 2e5n n ARG 15 Ca -0.05 1.06 -0.18 0.00 -0.92 0.00 0.00 57.85 57.76 2e5n n ARG 15 Cb 0.22 -1.64 -0.09 0.00 0.45 0.00 0.00 32.46 31.39 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 -1.13 -0.63 6.15 5.19 -1.79 0.19 116.42 124.40 2e5n h ASP 16 Ca 0.39 0.07 0.18 0.00 -0.62 0.00 0.00 57.03 57.05 2e5n h ASP 16 Cb 0.73 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 2e5n h ASP 16 CO -0.68 -0.66 0.48 0.03 -3.12 0.00 0.00 179.24 175.30 2e5n h ARG 17 N -1.03 0.00 0.18 3.56 3.08 0.54 0.22 114.38 120.93 2e5n h ARG 17 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2e5n h ARG 17 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2e5n h ARG 17 CO 0.05 0.00 -0.08 0.28 -1.07 0.00 0.00 179.97 179.15 2e5n h VAL 18 N 0.00 0.05 -0.87 2.04 2.07 -0.25 -3.15 116.25 116.14 2e5n h VAL 18 Ca 0.30 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 67.05 2e5n h VAL 18 Cb 1.26 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 2e5n h VAL 18 CO -0.00 0.02 0.53 0.16 0.02 0.00 0.00 177.57 178.29 2e5n h ILE 19 N -1.06 0.97 -0.34 4.57 3.07 -0.18 0.34 117.51 124.89 2e5n h ILE 19 Ca -0.02 -0.31 0.08 0.00 1.55 0.00 0.00 64.86 66.15 2e5n h ILE 19 Cb 0.21 -0.02 -0.02 0.00 -0.27 0.00 0.00 36.82 36.72 2e5n h ILE 19 CO 0.04 0.17 0.24 0.45 -1.05 0.00 0.00 178.15 177.99 2e5n h HIS 20 N 0.91 0.11 0.20 0.16 3.86 -0.70 0.22 115.15 119.90 2e5n h HIS 20 Ca 0.40 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.27 2e5n h HIS 20 Cb 0.29 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 28.74 2e5n h HIS 20 CO -0.04 0.05 -1.72 -0.07 0.86 0.00 0.00 177.93 177.02 2e5n h LEU 21 N 0.10 0.65 -1.35 2.43 3.38 -0.99 -3.33 115.31 116.20 2e5n h LEU 21 Ca 0.16 -0.93 -0.07 0.00 0.09 0.00 0.00 57.88 57.13 2e5n h LEU 21 Cb 0.49 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2e5n h LEU 21 CO -0.02 1.78 -0.31 -0.07 0.09 0.00 0.00 178.44 179.91 2e5n h LEU 22 N 0.11 0.00 0.00 1.67 3.38 -0.31 -3.30 115.31 116.87 2e5n h LEU 22 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2e5n h LEU 22 Cb 2.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.86 2e5n h LEU 22 CO 0.19 0.31 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2e5n n ALA 23 N -2.40 -0.26 -0.30 1.53 0.00 0.69 -2.23 120.51 117.54 2e5n n ALA 23 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.60 2e5n n ALA 23 Cb 0.38 0.17 0.34 0.00 0.00 0.00 0.00 19.45 20.34 2e5n n ALA 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2e5n n LEU 24 N -2.10 0.02 -3.69 0.00 4.77 -1.24 -4.70 117.00 110.07 2e5n n LEU 24 Ca 0.00 1.49 -0.04 0.00 -0.03 0.00 0.00 56.01 57.43 2e5n n LEU 24 Cb 0.00 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 2e5n n LEU 24 CO 0.00 -1.55 0.77 -1.59 -1.33 0.00 0.00 177.39 173.68 2e5n s LYS 25 N -5.69 1.00 0.26 3.23 -2.85 -0.95 -5.06 119.74 109.69 2e5n s LYS 25 Ca -0.10 -0.52 -0.29 0.00 -1.00 0.00 0.00 55.97 54.05 2e5n s LYS 25 Cb 0.27 0.36 -0.09 0.00 -2.06 0.00 0.00 37.83 36.31 2e5n s LYS 25 CO 0.69 -0.45 1.23 0.00 0.10 0.00 0.00 175.35 176.91 2e5n s ALA 26 N -3.12 3.47 0.13 0.59 0.00 -1.25 -4.07 121.76 117.52 2e5n s ALA 26 Ca 0.11 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2e5n s ALA 26 Cb -0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2e5n s ALA 26 CO -0.01 -0.43 -0.18 0.71 0.00 0.00 0.00 175.76 175.85 2e5n s TYR 27 N -0.70 1.69 0.16 0.00 1.51 -0.22 -4.83 117.35 114.96 2e5n s TYR 27 Ca 0.50 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 2e5n s TYR 27 Cb -0.36 -0.89 -0.06 0.00 -0.11 0.00 0.00 41.96 40.54 2e5n s TYR 27 CO 0.44 0.23 0.46 0.15 -1.11 0.00 0.00 175.55 175.72 2e5n s LYS 28 N -2.36 3.75 0.18 -0.62 3.01 -1.26 -0.75 119.74 121.69 2e5n s LYS 28 Ca 0.10 0.16 -0.15 0.00 -1.01 0.00 0.00 55.97 55.06 2e5n s LYS 28 Cb -0.08 -2.81 0.17 0.00 -1.01 0.00 0.00 37.83 34.10 2e5n s LYS 28 CO 0.05 0.43 1.24 1.17 0.51 0.00 0.00 175.35 178.75 2e5n n LYS 29 N 0.23 -0.21 -0.01 1.68 3.00 -1.26 0.63 118.16 122.23 2e5n n LYS 29 Ca -0.03 1.23 -0.13 0.00 -0.00 0.00 0.00 58.31 59.38 2e5n n LYS 29 Cb 0.52 -1.82 -0.10 0.00 0.00 0.00 0.00 35.03 33.63 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 -0.02 0.32 1.64 0.13 -1.97 -3.20 132.00 128.91 2e5n h PRO 30 Ca 0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.38 2e5n h PRO 30 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2e5n h PRO 30 CO -0.79 0.47 -0.31 1.49 -0.23 0.00 0.00 178.00 178.62 2e5n h GLU 31 N -0.51 -0.61 -0.86 0.86 4.81 -1.32 -2.40 114.58 114.55 2e5n h GLU 31 Ca -0.00 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.54 2e5n h GLU 31 Cb 0.49 0.14 -0.16 0.00 0.63 0.00 0.00 28.75 29.85 2e5n h GLU 31 CO 0.00 -0.41 0.15 -0.11 -0.73 0.00 0.00 179.01 177.92 2e5n n LEU 32 N -4.28 0.02 0.39 1.64 0.00 0.21 0.13 117.00 115.10 2e5n n LEU 32 Ca -0.08 1.46 -0.19 0.00 0.00 0.00 0.00 56.01 57.21 2e5n n LEU 32 Cb 0.29 -0.58 -0.09 0.00 0.00 0.00 0.00 43.42 43.03 2e5n n LEU 32 CO 0.17 -1.52 0.59 -0.07 0.00 0.00 0.00 177.39 176.55 2e5n h LEU 33 N 0.00 -1.06 -1.47 -1.96 3.38 -1.43 -2.17 115.31 110.60 2e5n h LEU 33 Ca 0.59 0.06 0.44 0.00 0.09 0.00 0.00 57.88 59.05 2e5n h LEU 33 Cb 1.34 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 2e5n h LEU 33 CO -0.77 -0.66 1.04 0.00 0.09 0.00 0.00 178.44 178.14 2e5n n ALA 34 N -2.65 1.42 0.02 1.53 0.00 0.12 0.23 120.51 121.18 2e5n n ALA 34 Ca -0.14 0.54 -0.18 0.00 0.00 0.00 0.00 53.44 53.66 2e5n n ALA 34 Cb 0.45 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 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 0.27 0.08 0.00 2.47 -1.30 -3.25 114.38 112.65 2e5n h ARG 35 Ca 0.73 -0.40 -0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2e5n h ARG 35 Cb 2.84 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 31.30 2e5n h ARG 35 CO -0.07 1.16 -0.04 -0.07 0.56 0.00 0.00 179.97 181.51 2e5n h LEU 36 N -0.42 -0.09 -1.91 3.04 3.38 0.32 -3.24 115.31 116.39 2e5n h LEU 36 Ca -0.10 -0.51 0.44 0.00 0.09 0.00 0.00 57.88 57.80 2e5n h LEU 36 Cb 1.45 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 2e5n h LEU 36 CO 0.12 0.57 1.08 1.56 0.09 0.00 0.00 178.44 181.85 2e5n h GLN 37 N -0.86 0.03 0.04 1.13 1.08 -0.10 0.15 115.11 116.57 2e5n h GLN 37 Ca -0.01 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2e5n h GLN 37 Cb 0.60 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 2e5n h GLN 37 CO 0.02 0.02 -0.29 0.87 -0.95 0.00 0.00 178.83 178.50 2e5n h LYS 38 N 0.03 -0.44 0.00 1.46 1.57 -1.59 -2.27 116.57 115.33 2e5n h LYS 38 Ca 0.75 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.47 2e5n h LYS 38 Cb 2.88 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 35.28 2e5n h LYS 38 CO -0.07 -0.29 -0.44 -0.44 -0.57 0.00 0.00 179.45 177.64 2e5n h ASP 39 N -0.46 0.00 0.00 0.86 5.19 -0.94 -3.48 116.42 117.59 2e5n h ASP 39 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2e5n h ASP 39 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2e5n h ASP 39 CO -0.22 0.44 0.00 0.61 -3.12 0.00 0.00 179.24 176.94 2e5n n GLY 40 N 0.99 3.41 2.95 2.75 0.00 -0.35 -5.02 105.19 109.92 2e5n n GLY 40 Ca 0.02 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 1.22 0.68 1.61 1.01 -1.26 -4.67 120.40 119.00 2e5n s VAL 41 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 2e5n s VAL 41 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2e5n s VAL 41 CO 0.00 0.40 1.16 0.20 0.00 0.00 0.00 175.10 176.86 2e5n s ASN 42 N 1.62 4.70 0.05 3.32 0.01 -1.26 -4.89 114.94 118.50 2e5n s ASN 42 Ca 0.05 2.20 -0.21 0.00 -0.71 0.00 0.00 52.86 54.20 2e5n s ASN 42 Cb -0.13 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.83 2e5n s ASN 42 CO -0.09 -1.91 1.42 -0.61 -1.51 0.00 0.00 177.10 174.40 2e5n h GLN 43 N -0.01 0.32 -0.11 -0.60 4.15 -2.00 -1.91 115.11 114.94 2e5n h GLN 43 Ca -0.48 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 58.85 2e5n h GLN 43 Cb 1.27 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 2e5n h GLN 43 CO 0.52 0.62 0.21 1.57 -1.93 0.00 0.00 178.83 179.81 2e5n h LYS 44 N 0.00 0.00 0.09 1.69 2.10 -2.02 -0.43 116.57 118.01 2e5n h LYS 44 Ca 0.04 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.37 2e5n h LYS 44 Cb 0.51 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 2e5n h LYS 44 CO 0.02 0.00 -1.73 -0.44 -2.00 0.00 0.00 179.45 175.30 2e5n h ASP 45 N 0.00 0.31 -1.08 7.07 5.19 -1.87 -3.21 116.42 122.83 2e5n h ASP 45 Ca 0.05 -0.55 0.29 0.00 -0.62 0.00 0.00 57.03 56.20 2e5n h ASP 45 Cb 0.47 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.79 2e5n h ASP 45 CO -0.00 1.48 0.72 0.11 -3.12 0.00 0.00 179.24 178.43 2e5n h LYS 46 N 0.05 0.27 0.13 3.56 1.57 -0.26 0.53 116.57 122.43 2e5n h LYS 46 Ca -0.31 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.12 2e5n h LYS 46 Cb 2.02 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 2e5n h LYS 46 CO 0.12 0.18 -1.72 -0.97 -0.57 0.00 0.00 179.45 176.49 2e5n h ASN 47 N 0.28 0.44 0.53 0.86 -1.24 -1.68 -3.31 115.58 111.45 2e5n h ASN 47 Ca 0.60 -0.71 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2e5n h ASN 47 Cb 1.74 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.65 2e5n h ASN 47 CO -0.23 1.61 0.00 -1.54 -1.29 0.00 0.00 177.43 175.98 2e5n n SER 48 N -3.47 0.00 -0.04 1.15 3.41 0.22 -3.23 113.62 111.65 2e5n n SER 48 Ca -0.22 0.24 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 2e5n n SER 48 Cb 1.06 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 2e5n n SER 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2e5n h LEU 49 N 0.00 0.25 -1.61 1.04 6.46 -0.14 -2.46 115.31 118.85 2e5n h LEU 49 Ca 0.00 -0.39 0.08 0.00 -0.12 0.00 0.00 57.88 57.45 2e5n h LEU 49 Cb 0.26 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2e5n h LEU 49 CO 0.00 0.58 0.38 1.23 -0.62 0.00 0.00 178.44 180.01 2e5n h GLY 50 N -0.08 0.61 0.99 3.75 0.00 -1.75 -0.59 103.07 105.99 2e5n h GLY 50 Ca 0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 2e5n h GLY 50 CO 0.01 0.13 -0.48 0.00 0.00 0.00 0.00 176.54 176.20 2e5n h ALA 51 N 1.70 0.32 -0.15 3.60 0.00 -1.69 -3.25 119.26 119.78 2e5n h ALA 51 Ca 0.26 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2e5n h ALA 51 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2e5n h ALA 51 CO -0.07 0.48 0.03 0.82 0.00 0.00 0.00 179.25 180.51 2e5n h ILE 52 N 0.36 1.21 -1.23 0.00 2.04 -0.88 -1.91 117.51 117.10 2e5n h ILE 52 Ca -0.01 -0.66 0.35 0.00 1.00 0.00 0.00 64.86 65.55 2e5n h ILE 52 Cb 1.10 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.46 2e5n h ILE 52 CO 0.11 0.20 0.84 -0.07 0.00 0.00 0.00 178.15 179.22 2e5n h LEU 53 N 0.04 0.19 0.00 1.44 3.38 -1.20 1.43 115.31 120.59 2e5n h LEU 53 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2e5n h LEU 53 Cb 0.28 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2e5n h LEU 53 CO 0.00 -0.00 -0.91 -0.61 0.09 0.00 0.00 178.44 177.01 2e5n h GLN 54 N 0.14 0.00 0.00 1.13 4.15 -1.52 0.67 115.11 119.68 2e5n h GLN 54 Ca 0.65 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.97 2e5n h GLN 54 Cb 2.20 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.87 2e5n h GLN 54 CO -0.18 0.00 -0.91 1.96 -1.93 0.00 0.00 178.83 177.77 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 1.08 0.25 -3.39 115.11 114.74 2e5n h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2e5n h GLN 55 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2e5n h GLN 55 CO 0.00 0.27 -0.93 1.33 -0.95 0.00 0.00 178.83 178.55 2e5n n VAL 56 N -2.97 0.00 -4.68 -0.54 0.24 0.15 -5.05 118.33 105.48 2e5n n VAL 56 Ca -0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.97 2e5n n VAL 56 Cb 0.72 -0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.89 3.67 -0.06 2.33 0.00 0.23 0.17 121.76 126.22 2e5n s ALA 57 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2e5n s ALA 57 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.37 2e5n s ALA 57 CO 0.00 -0.12 -0.14 -0.80 0.00 0.00 0.00 175.76 174.70 2e5n s ASN 58 N -3.78 1.95 0.08 0.00 0.01 0.14 -3.72 114.94 109.62 2e5n s ASN 58 Ca 0.14 -0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 51.66 2e5n s ASN 58 Cb 0.03 -0.78 -0.05 0.00 0.41 0.00 0.00 41.25 40.86 2e5n s ASN 58 CO 0.08 0.08 0.99 -0.22 -1.51 0.00 0.00 177.10 176.51 2e5n s LEU 59 N 0.43 4.46 -0.69 0.60 0.20 -1.26 -0.28 118.68 122.13 2e5n s LEU 59 Ca -0.11 1.78 -0.06 0.00 0.69 0.00 0.00 54.13 56.43 2e5n s LEU 59 Cb -0.14 -3.58 0.18 0.00 -0.43 0.00 0.00 46.19 42.21 2e5n s LEU 59 CO 0.04 -0.15 0.54 0.21 -0.29 0.00 0.00 176.35 176.70 2e5n s ASN 60 N 0.33 5.66 0.47 3.68 3.84 0.21 -4.92 114.94 124.20 2e5n s ASN 60 Ca 0.49 -2.86 0.42 0.00 0.21 0.00 0.00 52.86 51.12 2e5n s ASN 60 Cb -0.23 -1.95 1.47 0.00 -0.55 0.00 0.00 41.25 39.98 2e5n s ASN 60 CO 0.30 -0.41 1.33 -1.20 -2.79 0.00 0.00 177.10 174.33 2e5n n SER 61 N 3.55 0.01 -0.03 -4.21 7.64 -1.26 0.46 113.62 119.78 2e5n n SER 61 Ca 0.10 0.87 -0.05 0.00 1.01 0.00 0.00 58.87 60.80 2e5n n SER 61 Cb 0.40 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2e5n n SER 61 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2e5n h LYS 62 N 0.00 -0.17 -0.10 1.43 1.63 -1.95 -3.18 116.57 114.23 2e5n h LYS 62 Ca 0.80 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.61 2e5n h LYS 62 Cb 3.18 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 34.84 2e5n h LYS 62 CO -0.04 -0.11 0.00 -0.40 -3.45 0.00 0.00 179.45 175.45 2e5n n ASP 63 N -3.67 2.83 -3.02 4.20 5.75 -0.01 -4.96 116.55 117.66 2e5n n ASP 63 Ca -0.02 -2.90 -0.19 0.00 -0.01 0.00 0.00 54.79 51.67 2e5n n ASP 63 Cb 0.13 -0.41 -0.00 0.00 -1.03 0.00 0.00 41.12 39.81 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2e5n n LEU 64 N -0.95 -1.42 -4.79 -2.12 4.77 0.17 -4.93 117.00 107.72 2e5n n LEU 64 Ca 0.16 -0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.63 2e5n n LEU 64 Cb 0.67 -2.13 -0.07 0.00 -2.33 0.00 0.00 43.42 39.56 2e5n n LEU 64 CO 0.06 0.07 -0.24 -0.94 -1.33 0.00 0.00 177.39 175.01 2e5n s SER 65 N -2.48 5.81 -0.28 -1.43 1.04 -1.21 -4.63 113.70 110.53 2e5n s SER 65 Ca 0.25 0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.78 2e5n s SER 65 Cb -0.13 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.22 2e5n s SER 65 CO 0.31 0.33 0.40 -0.31 0.98 0.00 0.00 173.24 174.96 2e5n s TYR 66 N -1.09 3.24 -0.23 5.02 2.02 0.07 -0.62 117.35 125.77 2e5n s TYR 66 Ca 0.19 0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 57.21 2e5n s TYR 66 Cb -0.12 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 2e5n s TYR 66 CO 0.09 -0.27 0.10 0.95 -1.57 0.00 0.00 175.55 174.85 2e5n s THR 67 N 2.12 4.84 0.13 -0.71 -4.23 0.61 -1.06 115.64 117.34 2e5n s THR 67 Ca 0.16 -0.00 -0.34 0.00 -1.18 0.00 0.00 61.69 60.33 2e5n s THR 67 Cb -0.16 -3.24 -0.14 0.00 1.34 0.00 0.00 72.50 70.30 2e5n s THR 67 CO 0.10 0.37 1.59 -0.11 -0.54 0.00 0.00 174.62 176.04 2e5n n LEU 68 N 4.29 3.01 0.00 4.79 0.00 -1.26 0.29 117.00 128.13 2e5n n LEU 68 Ca -0.16 1.07 -0.15 0.00 0.00 0.00 0.00 56.01 56.78 2e5n n LEU 68 Cb 0.52 -1.40 0.15 0.00 0.00 0.00 0.00 43.42 42.68 2e5n n LEU 68 CO 0.34 -0.33 0.17 0.29 0.00 0.00 0.00 177.39 177.86 2e5n n LYS 69 N 3.70 -1.87 -0.09 1.96 5.02 0.13 -4.83 118.16 122.17 2e5n n LYS 69 Ca 0.18 -0.72 -0.16 0.00 -2.02 0.00 0.00 58.31 55.59 2e5n n LYS 69 Cb 0.28 -1.26 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.27 1.47 -0.10 4.39 5.68 -1.26 -4.31 116.55 120.14 2e5n n ASP 70 Ca 0.07 -0.01 -0.14 0.00 -0.50 0.00 0.00 54.79 54.21 2e5n n ASP 70 Cb 0.30 -0.14 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2e5n h TYR 71 N 0.01 1.09 -0.53 2.11 -0.00 -1.93 -2.99 116.97 114.73 2e5n h TYR 71 Ca -0.52 -0.35 0.15 0.00 -0.00 0.00 0.00 58.73 58.00 2e5n h TYR 71 Cb 2.01 -0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 38.50 2e5n h TYR 71 CO 0.03 1.18 0.38 0.28 -0.00 0.00 0.00 178.16 180.03 2e5n h VAL 72 N 0.69 0.73 -0.99 -0.90 2.07 -1.86 -0.51 116.25 115.48 2e5n h VAL 72 Ca 0.04 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.84 2e5n h VAL 72 Cb 1.04 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2e5n h VAL 72 CO 0.10 0.00 0.71 -0.26 0.02 0.00 0.00 177.57 178.14 2e5n h PHE 73 N 0.00 0.04 -0.03 1.57 0.04 -1.71 0.52 116.94 117.37 2e5n h PHE 73 Ca 0.25 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.83 2e5n h PHE 73 Cb 1.01 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 2e5n h PHE 73 CO 0.00 0.01 -0.81 1.57 -0.60 0.00 0.00 178.31 178.47 2e5n h LYS 74 N 0.03 0.30 -0.41 1.51 2.10 -1.28 -3.20 116.57 115.61 2e5n h LYS 74 Ca 0.47 -0.28 -0.10 0.00 -2.00 0.00 0.00 60.65 58.74 2e5n h LYS 74 Cb 1.85 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 33.24 2e5n h LYS 74 CO -0.02 0.96 -0.17 0.93 -2.00 0.00 0.00 179.45 179.15 2e5n h GLU 75 N 0.18 0.78 -6.03 0.07 5.08 -0.10 -3.45 114.58 111.11 2e5n h GLU 75 Ca -0.04 -0.28 -0.54 0.00 -1.00 0.00 0.00 59.36 57.49 2e5n h GLU 75 Cb 1.41 -0.05 0.24 0.00 0.50 0.00 0.00 28.75 30.85 2e5n h GLU 75 CO 0.13 0.89 -1.95 1.28 -1.00 0.00 0.00 179.01 178.36 2e5n n LEU 76 N -4.14 -5.40 -4.04 1.33 4.77 -0.85 -4.94 117.00 103.73 2e5n n LEU 76 Ca 0.01 0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 2e5n n LEU 76 Cb 0.40 -0.74 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 2e5n n LEU 76 CO 0.44 -5.44 -0.39 -1.10 -1.33 0.00 0.00 177.39 169.57 2e5n s GLN 77 N -2.06 1.81 0.58 3.23 -0.21 -1.26 -4.97 119.66 116.78 2e5n s GLN 77 Ca 0.40 -1.64 0.32 0.00 0.02 0.00 0.00 55.36 54.46 2e5n s GLN 77 Cb -0.14 -3.06 1.39 0.00 1.00 0.00 0.00 33.01 32.20 2e5n s GLN 77 CO 0.80 -0.78 1.72 0.00 -2.12 0.00 0.00 175.29 174.91 2e5n h ARG 78 N 7.68 0.00 -0.94 2.91 3.08 -1.96 1.07 114.38 126.23 2e5n h ARG 78 Ca -0.11 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.70 2e5n h ARG 78 Cb 1.03 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.94 2e5n h ARG 78 CO 0.49 0.00 0.30 -0.25 -1.07 0.00 0.00 179.97 179.45 2e5n n ASP 79 N -3.77 3.58 -4.61 7.04 8.00 -1.26 -4.92 116.55 120.61 2e5n n ASP 79 Ca 0.19 -2.88 -0.43 0.00 0.71 0.00 0.00 54.79 52.38 2e5n n ASP 79 Cb 1.12 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2e5n s TRP 80 N -2.04 1.93 -2.00 1.24 -0.11 0.37 -4.84 118.94 113.49 2e5n s TRP 80 Ca 0.35 0.57 0.13 0.00 1.22 0.00 0.00 56.10 58.37 2e5n s TRP 80 Cb 0.28 -4.09 0.80 0.00 -1.50 0.00 0.00 33.47 28.97 2e5n s TRP 80 CO 0.07 -2.97 1.23 -0.35 -4.62 0.00 0.00 176.95 170.31 2e5n n PRO 81 N 8.12 0.49 -0.68 5.86 -0.04 -1.26 -2.87 135.00 144.61 2e5n n PRO 81 Ca 0.21 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.69 2e5n n PRO 81 Cb 0.46 -1.43 0.27 0.00 -0.04 0.00 0.00 33.50 32.76 2e5n n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2e5n n GLY 82 N -0.02 2.73 3.03 0.55 0.00 -1.26 -4.81 105.19 105.40 2e5n n GLY 82 Ca 0.10 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 2e5n n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2e5n s TYR 83 N -2.29 2.53 1.07 1.61 2.02 -1.14 -4.99 117.35 116.16 2e5n s TYR 83 Ca 0.40 -1.62 -0.12 0.00 -0.37 0.00 0.00 57.07 55.35 2e5n s TYR 83 Cb 0.31 -1.71 0.23 0.00 -0.40 0.00 0.00 41.96 40.39 2e5n s TYR 83 CO 0.11 -0.76 1.06 -1.12 -1.57 0.00 0.00 175.55 173.27 2e5n s SER 84 N 1.36 1.82 0.38 2.29 0.01 -1.26 -4.23 113.70 114.08 2e5n s SER 84 Ca -0.00 1.48 0.31 0.00 1.31 0.00 0.00 55.95 59.05 2e5n s SER 84 Cb -0.16 -2.19 1.26 0.00 0.21 0.00 0.00 66.02 65.14 2e5n s SER 84 CO -0.09 -3.67 1.25 1.21 0.41 0.00 0.00 173.24 172.35 2e5n n GLU 85 N -4.56 -0.02 -0.06 12.44 2.13 -1.26 -0.94 120.64 128.36 2e5n n GLU 85 Ca 0.05 0.96 -0.04 0.00 0.66 0.00 0.00 57.16 58.78 2e5n n GLU 85 Cb 0.55 -1.99 -0.01 0.00 0.27 0.00 0.00 31.44 30.26 2e5n n GLU 85 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2e5n n ILE 86 N -4.03 1.28 -0.19 6.31 2.08 -1.26 -3.86 119.36 119.69 2e5n n ILE 86 Ca 0.33 0.24 0.07 0.00 0.56 0.00 0.00 62.75 63.96 2e5n n ILE 86 Cb 1.38 -2.31 0.13 0.00 -0.75 0.00 0.00 39.64 38.10 2e5n n ILE 86 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2e5n n ASP 87 N -4.40 -0.11 0.08 4.38 9.92 -0.12 0.82 116.55 127.14 2e5n n ASP 87 Ca -0.06 0.94 -0.03 0.00 -0.53 0.00 0.00 54.79 55.10 2e5n n ASP 87 Cb 0.24 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 40.38 2e5n n ASP 87 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2e5n h ARG 88 N 0.00 -0.21 0.00 -1.24 3.08 -1.49 -0.37 114.38 114.15 2e5n h ARG 88 Ca 0.31 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2e5n h ARG 88 Cb 0.59 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2e5n h ARG 88 CO -0.54 -0.14 0.14 2.89 -1.07 0.00 0.00 179.97 181.26 2e5n n ARG 89 N -2.62 0.08 0.08 0.04 -4.01 0.56 0.50 116.66 111.29 2e5n n ARG 89 Ca -0.03 0.55 0.08 0.00 -1.04 0.00 0.00 57.85 57.41 2e5n n ARG 89 Cb 0.08 -1.92 -0.03 0.00 -3.04 0.00 0.00 32.46 27.56 2e5n n ARG 89 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2e5n n SER 90 N -1.95 0.83 -0.04 2.89 2.88 0.24 -4.26 113.62 114.20 2e5n n SER 90 Ca -0.01 0.33 -0.22 0.00 -1.33 0.00 0.00 58.87 57.65 2e5n n SER 90 Cb 0.16 0.41 -0.13 0.00 -0.75 0.00 0.00 64.21 63.91 2e5n n SER 90 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2e5n n LEU 91 N -2.73 2.48 -0.36 2.46 0.00 0.18 -4.12 117.00 114.91 2e5n n LEU 91 Ca -0.03 0.22 0.37 0.00 0.00 0.00 0.00 56.01 56.56 2e5n n LEU 91 Cb 0.63 -1.04 0.64 0.00 0.00 0.00 0.00 43.42 43.65 2e5n n LEU 91 CO 0.41 0.73 1.34 1.05 0.00 0.00 0.00 177.39 180.92 2e5n h GLU 92 N -0.23 0.00 0.22 1.96 4.11 -1.39 0.18 114.58 119.43 2e5n h GLU 92 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 2e5n h GLU 92 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2e5n h GLU 92 CO -0.03 0.00 -0.10 1.03 0.07 0.00 0.00 179.01 179.98 2e5n h SER 93 N 0.00 -0.25 -0.67 3.06 0.87 -1.76 -3.01 113.55 111.79 2e5n h SER 93 Ca 0.62 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 61.06 2e5n h SER 93 Cb 2.93 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 64.86 2e5n h SER 93 CO -0.01 0.27 -0.55 0.58 -0.53 0.00 0.00 176.83 176.59 2e5n h VAL 94 N -1.00 0.00 -0.97 2.23 2.07 -0.81 0.45 116.25 118.22 2e5n h VAL 94 Ca -0.03 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.68 2e5n h VAL 94 Cb 0.41 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 2e5n h VAL 94 CO 0.05 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.18 2e5n h LEU 95 N -0.20 0.66 -0.91 2.57 3.38 -1.64 0.27 115.31 119.44 2e5n h LEU 95 Ca 0.11 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2e5n h LEU 95 Cb 0.49 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2e5n h LEU 95 CO -0.74 0.26 -0.31 -1.28 0.09 0.00 0.00 178.44 176.46 2e5n h SER 96 N 0.66 0.44 0.05 -0.43 0.87 -0.12 0.29 113.55 115.30 2e5n h SER 96 Ca 0.53 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2e5n h SER 96 Cb 0.97 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2e5n h SER 96 CO -0.29 0.74 -0.02 0.03 -0.53 0.00 0.00 176.83 176.75 2e5n h ARG 97 N 0.38 -0.07 0.34 2.24 3.08 0.25 -3.39 114.38 117.21 2e5n h ARG 97 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2e5n h ARG 97 Cb 0.73 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2e5n h ARG 97 CO 0.06 0.56 -0.16 0.87 -1.07 0.00 0.00 179.97 180.22 2e5n h LYS 98 N -0.86 -0.44 -5.62 0.04 1.79 -0.71 -3.38 116.57 107.40 2e5n h LYS 98 Ca -0.01 0.03 -0.24 0.00 -2.18 0.00 0.00 60.65 58.25 2e5n h LYS 98 Cb 0.66 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 2e5n h LYS 98 CO 0.01 -0.29 0.67 -0.51 -1.08 0.00 0.00 179.45 178.25 2e5n s LEU 99 N -6.48 3.10 0.00 2.94 1.43 0.09 -5.08 118.68 114.68 2e5n s LEU 99 Ca -0.07 -0.11 0.25 0.00 -1.03 0.00 0.00 54.13 53.17 2e5n s LEU 99 Cb 0.01 -2.55 1.46 0.00 0.03 0.00 0.00 46.19 45.14 2e5n s LEU 99 CO 0.20 -3.10 1.83 0.59 0.23 0.00 0.00 176.35 176.10