#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 0.33 -4.61 1.61 3.41 -1.26 -5.03 113.62 108.07 2e5n n SER 2 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.14 2e5n n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2e5n n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2e5n n SER 3 N -2.73 3.19 0.00 4.04 2.88 -1.26 -4.76 113.62 114.99 2e5n n SER 3 Ca 0.00 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2e5n n SER 3 Cb 0.32 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 2e5n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5n n GLY 4 N 5.20 0.86 3.63 0.46 0.00 -1.26 -5.09 105.19 108.99 2e5n n GLY 4 Ca 0.28 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2e5n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5n s SER 5 N 1.10 6.65 -0.81 1.61 0.01 -1.26 -4.97 113.70 116.03 2e5n s SER 5 Ca 0.00 0.80 -0.26 0.00 1.31 0.00 0.00 55.95 57.81 2e5n s SER 5 Cb 0.00 -2.36 -0.11 0.00 0.21 0.00 0.00 66.02 63.75 2e5n s SER 5 CO 0.00 -0.40 2.29 -0.44 0.41 0.00 0.00 173.24 175.10 2e5n s SER 6 N 1.42 4.22 0.27 2.44 0.01 -1.26 -4.46 113.70 116.34 2e5n s SER 6 Ca 0.29 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2e5n s SER 6 Cb -0.15 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2e5n s SER 6 CO 0.08 -3.57 0.00 0.61 0.41 0.00 0.00 173.24 170.78 2e5n n GLY 7 N 6.80 -4.96 4.00 3.44 0.00 -1.26 -4.78 105.19 108.43 2e5n n GLY 7 Ca 0.45 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.27 3.21 0.04 2.61 -4.23 -1.26 -4.74 115.64 109.99 2e5n s THR 8 Ca 0.00 -1.01 -0.13 0.00 -1.18 0.00 0.00 61.69 59.37 2e5n s THR 8 Cb 0.00 -3.08 -0.34 0.00 1.34 0.00 0.00 72.50 70.41 2e5n s THR 8 CO 0.00 -0.03 1.01 0.40 -0.54 0.00 0.00 174.62 175.46 2e5n h ILE 9 N 0.70 1.31 -0.23 2.99 1.08 -1.95 -3.22 117.51 118.18 2e5n h ILE 9 Ca -0.41 -2.76 0.01 0.00 -0.39 0.00 0.00 64.86 61.30 2e5n h ILE 9 Cb 1.27 3.02 -0.02 0.00 -3.07 0.00 0.00 36.82 38.03 2e5n h ILE 9 CO 0.47 0.83 0.13 -1.28 -0.69 0.00 0.00 178.15 177.61 2e5n h SER 10 N 0.13 0.22 -0.04 1.72 0.87 -1.93 -1.90 113.55 112.62 2e5n h SER 10 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2e5n h SER 10 Cb 2.14 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 64.05 2e5n h SER 10 CO 0.26 0.16 0.03 1.56 -0.53 0.00 0.00 176.83 178.31 2e5n h GLN 11 N 0.28 0.03 -7.15 2.24 1.08 -1.99 -3.43 115.11 106.18 2e5n h GLN 11 Ca 0.09 -0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.79 2e5n h GLN 11 Cb -0.00 -0.01 0.08 0.00 -0.05 0.00 0.00 27.48 27.50 2e5n h GLN 11 CO -0.04 0.02 0.40 1.03 -0.95 0.00 0.00 178.83 179.29 2e5n s ARG 12 N -5.10 3.13 0.16 1.46 1.81 -0.72 -4.98 118.95 114.72 2e5n s ARG 12 Ca -0.05 1.46 -0.30 0.00 -1.72 0.00 0.00 55.73 55.12 2e5n s ARG 12 Cb 0.17 -1.99 -0.08 0.00 -0.45 0.00 0.00 34.95 32.60 2e5n s ARG 12 CO 0.68 -1.00 1.33 -1.25 -0.68 0.00 0.00 175.30 174.37 2e5n s PRO 13 N -3.71 4.37 0.06 3.54 0.04 -1.26 -4.89 135.00 133.15 2e5n s PRO 13 Ca 0.69 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.65 2e5n s PRO 13 Cb -0.21 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 2e5n s PRO 13 CO 0.34 -0.31 0.96 0.98 0.04 0.00 0.00 177.00 179.01 2e5n n TYR 14 N 3.11 -0.17 -0.29 0.56 9.36 -1.26 -0.28 117.16 128.19 2e5n n TYR 14 Ca 0.08 0.48 -0.06 0.00 3.32 0.00 0.00 57.90 61.72 2e5n n TYR 14 Cb 0.43 -0.47 -0.05 0.00 -0.63 0.00 0.00 39.34 38.62 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 -3.88 -0.28 -0.20 2.98 0.63 -1.26 0.11 116.66 114.77 2e5n n ARG 15 Ca 0.01 1.08 -0.02 0.00 -0.92 0.00 0.00 57.85 58.00 2e5n n ARG 15 Cb 0.10 -1.59 0.05 0.00 0.45 0.00 0.00 32.46 31.47 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 -0.66 -0.94 6.15 5.19 -1.02 0.24 116.42 125.39 2e5n h ASP 16 Ca 0.14 0.19 0.07 0.00 -0.62 0.00 0.00 57.03 56.81 2e5n h ASP 16 Cb 0.32 0.41 -0.06 0.00 0.18 0.00 0.00 39.33 40.18 2e5n h ASP 16 CO -0.68 -0.22 0.61 0.03 -3.12 0.00 0.00 179.24 175.86 2e5n h ARG 17 N -0.04 1.03 0.56 3.56 3.08 0.11 0.24 114.38 122.93 2e5n h ARG 17 Ca 0.28 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 2e5n h ARG 17 Cb 0.47 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.29 2e5n h ARG 17 CO -0.63 0.68 -0.27 0.28 -1.07 0.00 0.00 179.97 178.96 2e5n h VAL 18 N 1.06 0.05 -0.92 2.04 2.07 0.92 -2.77 116.25 118.70 2e5n h VAL 18 Ca 0.41 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.59 2e5n h VAL 18 Cb 0.22 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 29.98 2e5n h VAL 18 CO -0.16 0.01 0.55 0.16 0.02 0.00 0.00 177.57 178.15 2e5n h ILE 19 N -1.18 0.91 -0.62 4.57 3.07 -0.56 0.13 117.51 123.84 2e5n h ILE 19 Ca -0.08 -0.31 0.06 0.00 1.55 0.00 0.00 64.86 66.09 2e5n h ILE 19 Cb 0.60 -0.06 -0.04 0.00 -0.27 0.00 0.00 36.82 37.05 2e5n h ILE 19 CO 0.13 0.16 0.41 0.45 -1.05 0.00 0.00 178.15 178.25 2e5n h HIS 20 N 0.90 0.61 0.20 0.16 3.86 -0.56 0.28 115.15 120.60 2e5n h HIS 20 Ca 0.45 0.02 -0.29 0.00 -1.16 0.00 0.00 60.37 59.38 2e5n h HIS 20 Cb 0.42 -0.20 0.03 0.00 1.06 0.00 0.00 27.41 28.72 2e5n h HIS 20 CO -0.03 0.33 -1.34 -0.07 0.86 0.00 0.00 177.93 177.67 2e5n h LEU 21 N 0.61 0.66 -1.33 2.43 3.38 -0.74 -3.32 115.31 117.01 2e5n h LEU 21 Ca 0.27 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 57.25 2e5n h LEU 21 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2e5n h LEU 21 CO -0.08 1.63 -0.20 -0.07 0.09 0.00 0.00 178.44 179.81 2e5n h LEU 22 N -0.05 0.19 0.13 1.67 3.38 -0.35 -3.23 115.31 117.05 2e5n h LEU 22 Ca -0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2e5n h LEU 22 Cb 1.98 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2e5n h LEU 22 CO 0.20 0.41 -0.22 0.00 0.09 0.00 0.00 178.44 178.92 2e5n h ALA 23 N 1.62 -0.83 -0.94 1.53 0.00 -0.54 -2.47 119.26 117.62 2e5n h ALA 23 Ca 0.03 -0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.13 2e5n h ALA 23 Cb 0.47 0.56 -0.18 0.00 0.00 0.00 0.00 17.79 18.64 2e5n h ALA 23 CO 0.03 -0.87 -0.02 1.28 0.00 0.00 0.00 179.25 179.67 2e5n n LEU 24 N -3.70 -0.15 -3.79 0.00 4.77 -1.22 -4.74 117.00 108.17 2e5n n LEU 24 Ca -0.04 1.60 -0.03 0.00 -0.03 0.00 0.00 56.01 57.51 2e5n n LEU 24 Cb 0.19 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2e5n n LEU 24 CO 0.09 -1.61 0.75 -1.59 -1.33 0.00 0.00 177.39 173.70 2e5n s LYS 25 N -5.97 1.26 0.19 3.23 -2.85 -0.93 -5.02 119.74 109.64 2e5n s LYS 25 Ca -0.13 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 53.81 2e5n s LYS 25 Cb 0.27 0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 36.36 2e5n s LYS 25 CO 0.73 -0.58 1.26 0.00 0.10 0.00 0.00 175.35 176.86 2e5n s ALA 26 N -2.89 3.48 0.13 0.59 0.00 -1.25 -4.19 121.76 117.63 2e5n s ALA 26 Ca 0.15 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2e5n s ALA 26 Cb -0.02 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2e5n s ALA 26 CO 0.03 -0.47 -0.17 0.71 0.00 0.00 0.00 175.76 175.87 2e5n s TYR 27 N 0.09 1.64 0.11 0.00 1.51 -0.53 -4.87 117.35 115.31 2e5n s TYR 27 Ca 0.55 -0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2e5n s TYR 27 Cb -0.35 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.60 2e5n s TYR 27 CO 0.37 0.23 0.34 0.15 -1.11 0.00 0.00 175.55 175.53 2e5n s LYS 28 N -2.54 3.59 0.20 -0.62 3.01 -1.26 -0.30 119.74 121.81 2e5n s LYS 28 Ca 0.11 -0.14 -0.15 0.00 -1.01 0.00 0.00 55.97 54.79 2e5n s LYS 28 Cb -0.06 -2.91 0.21 0.00 -1.01 0.00 0.00 37.83 34.06 2e5n s LYS 28 CO 0.05 0.51 1.31 1.17 0.51 0.00 0.00 175.35 178.90 2e5n n LYS 29 N 0.24 -0.20 -0.02 1.68 3.00 -1.26 0.65 118.16 122.25 2e5n n LYS 29 Ca -0.04 1.30 -0.13 0.00 -0.00 0.00 0.00 58.31 59.44 2e5n n LYS 29 Cb 0.52 -1.93 -0.10 0.00 0.00 0.00 0.00 35.03 33.52 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 0.39 1.64 0.13 -1.97 -3.16 132.00 129.05 2e5n h PRO 30 Ca 0.30 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.40 2e5n h PRO 30 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2e5n h PRO 30 CO -0.84 0.50 -0.32 1.49 -0.23 0.00 0.00 178.00 178.60 2e5n h GLU 31 N -0.46 -0.67 -0.94 0.86 4.57 -1.35 -2.39 114.58 114.20 2e5n h GLU 31 Ca 0.00 0.05 0.35 0.00 -1.18 0.00 0.00 59.36 58.58 2e5n h GLU 31 Cb 0.50 0.15 -0.17 0.00 -0.16 0.00 0.00 28.75 29.07 2e5n h GLU 31 CO 0.00 -0.45 0.35 -0.11 -1.18 0.00 0.00 179.01 177.63 2e5n n LEU 32 N -4.34 0.19 0.33 1.64 0.00 0.21 0.22 117.00 115.25 2e5n n LEU 32 Ca -0.08 1.58 -0.17 0.00 0.00 0.00 0.00 56.01 57.33 2e5n n LEU 32 Cb 0.31 -0.71 -0.09 0.00 0.00 0.00 0.00 43.42 42.93 2e5n n LEU 32 CO 0.19 -1.71 0.67 -0.07 0.00 0.00 0.00 177.39 176.47 2e5n h LEU 33 N 0.00 -0.68 -1.06 -1.96 3.38 -1.40 -2.12 115.31 111.47 2e5n h LEU 33 Ca 0.73 0.02 0.31 0.00 0.09 0.00 0.00 57.88 59.03 2e5n h LEU 33 Cb 1.82 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.71 2e5n h LEU 33 CO -0.78 -0.48 1.22 0.00 0.09 0.00 0.00 178.44 178.49 2e5n n ALA 34 N -2.44 1.01 0.06 1.53 0.00 0.13 0.26 120.51 121.06 2e5n n ALA 34 Ca -0.13 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 2e5n n ALA 34 Cb 0.33 -0.61 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 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 0.29 0.00 0.00 2.47 -1.29 -3.22 114.38 112.64 2e5n h ARG 35 Ca 0.50 -0.50 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 2e5n h ARG 35 Cb 2.94 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 31.44 2e5n h ARG 35 CO -0.01 1.17 -0.25 -0.07 0.56 0.00 0.00 179.97 181.37 2e5n h LEU 36 N 0.08 0.00 -0.87 3.04 3.38 0.37 -3.33 115.31 117.98 2e5n h LEU 36 Ca -0.29 -0.85 0.16 0.00 0.09 0.00 0.00 57.88 56.99 2e5n h LEU 36 Cb 2.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.70 2e5n h LEU 36 CO 0.16 1.07 0.45 1.56 0.09 0.00 0.00 178.44 181.77 2e5n h GLN 37 N -1.00 0.60 -0.96 1.13 1.08 -0.16 0.20 115.11 116.00 2e5n h GLN 37 Ca -0.07 -0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.23 2e5n h GLN 37 Cb 1.01 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 28.22 2e5n h GLN 37 CO -0.04 0.40 0.61 1.57 -0.95 0.00 0.00 178.83 180.41 2e5n h LYS 38 N 0.62 0.82 0.00 1.46 2.10 -1.69 -0.50 116.57 119.39 2e5n h LYS 38 Ca 0.48 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 58.92 2e5n h LYS 38 Cb 0.71 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.83 2e5n h LYS 38 CO -0.38 0.54 -0.98 -0.44 -2.00 0.00 0.00 179.45 176.19 2e5n h ASP 39 N 0.84 0.00 0.00 7.07 3.32 -1.00 -3.49 116.42 123.17 2e5n h ASP 39 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 2e5n h ASP 39 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2e5n h ASP 39 CO -0.25 0.67 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 2e5n n GLY 40 N 1.33 2.77 3.39 2.75 0.00 0.45 -4.98 105.19 110.90 2e5n n GLY 40 Ca -0.04 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 2.26 -0.19 1.61 1.01 -1.25 -4.74 120.40 119.09 2e5n s VAL 41 Ca 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 61.98 60.11 2e5n s VAL 41 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2e5n s VAL 41 CO 0.00 0.03 -0.00 0.21 0.00 0.00 0.00 175.10 175.33 2e5n s ASN 42 N -2.22 4.85 0.41 3.32 2.47 -1.26 -4.97 114.94 117.54 2e5n s ASN 42 Ca 0.15 -0.18 0.32 0.00 0.42 0.00 0.00 52.86 53.57 2e5n s ASN 42 Cb -0.09 -1.82 1.39 0.00 -1.45 0.00 0.00 41.25 39.28 2e5n s ASN 42 CO 0.07 0.09 1.43 1.67 -3.72 0.00 0.00 177.10 176.63 2e5n n GLN 43 N 4.10 -0.03 -0.17 0.43 7.27 -1.26 0.19 117.38 127.91 2e5n n GLN 43 Ca -0.17 1.13 -0.07 0.00 0.07 0.00 0.00 57.00 57.96 2e5n n GLN 43 Cb 0.52 -2.27 0.02 0.00 2.41 0.00 0.00 30.24 30.92 2e5n n GLN 43 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2e5n h LYS 44 N 0.00 0.67 -0.27 3.69 1.63 -2.02 -2.91 116.57 117.36 2e5n h LYS 44 Ca 0.81 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 60.47 2e5n h LYS 44 Cb 2.70 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 34.18 2e5n h LYS 44 CO -0.38 0.47 -0.20 -0.44 -3.45 0.00 0.00 179.45 175.45 2e5n h ASP 45 N 0.67 0.65 -0.90 4.20 3.32 0.16 -3.13 116.42 121.40 2e5n h ASP 45 Ca 0.18 -0.44 0.37 0.00 0.02 0.00 0.00 57.03 57.16 2e5n h ASP 45 Cb -0.04 -0.18 -0.16 0.00 0.22 0.00 0.00 39.33 39.17 2e5n h ASP 45 CO -0.04 0.95 0.46 0.29 -1.72 0.00 0.00 179.24 179.19 2e5n n LYS 46 N -4.37 -0.05 -0.04 3.56 5.02 -0.77 0.17 118.16 121.68 2e5n n LYS 46 Ca -0.04 1.24 -0.15 0.00 -2.02 0.00 0.00 58.31 57.34 2e5n n LYS 46 Cb 0.41 -2.22 -0.08 0.00 -0.02 0.00 0.00 35.03 33.12 2e5n n LYS 46 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2e5n h ASN 47 N 0.00 0.66 -0.77 4.39 -1.24 -1.56 -3.24 115.58 113.82 2e5n h ASN 47 Ca 0.75 -0.60 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 2e5n h ASN 47 Cb 1.98 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 40.80 2e5n h ASN 47 CO -0.70 1.15 0.34 0.28 -1.29 0.00 0.00 177.43 177.21 2e5n h SER 48 N 0.20 1.03 -0.11 1.15 0.02 0.17 -3.25 113.55 112.76 2e5n h SER 48 Ca -0.02 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2e5n h SER 48 Cb 1.09 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2e5n h SER 48 CO 0.10 0.90 -0.06 -0.11 -1.14 0.00 0.00 176.83 176.51 2e5n n LEU 49 N -4.35 -0.12 -0.41 5.07 0.00 0.81 0.69 117.00 118.70 2e5n n LEU 49 Ca 0.07 1.02 0.36 0.00 0.00 0.00 0.00 56.01 57.46 2e5n n LEU 49 Cb 0.16 -0.44 0.64 0.00 0.00 0.00 0.00 43.42 43.78 2e5n n LEU 49 CO 0.40 -0.57 1.16 1.23 0.00 0.00 0.00 177.39 179.61 2e5n h GLY 50 N 0.00 1.74 1.59 -3.96 0.00 -1.69 1.34 103.07 102.09 2e5n h GLY 50 Ca 0.02 -0.12 -0.25 0.00 0.00 0.00 0.00 47.33 46.97 2e5n h GLY 50 CO -0.10 -0.60 -1.10 0.00 0.00 0.00 0.00 176.54 174.73 2e5n h ALA 51 N 1.76 0.22 -0.39 3.60 0.00 0.15 -3.30 119.26 121.30 2e5n h ALA 51 Ca 0.86 -0.80 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2e5n h ALA 51 Cb 2.56 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.34 2e5n h ALA 51 CO -0.58 0.89 -0.28 0.82 0.00 0.00 0.00 179.25 180.10 2e5n h ILE 52 N 0.14 1.28 -0.82 0.00 2.04 0.64 -2.13 117.51 118.66 2e5n h ILE 52 Ca -0.11 -1.45 0.18 0.00 1.00 0.00 0.00 64.86 64.49 2e5n h ILE 52 Cb 1.79 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 39.16 2e5n h ILE 52 CO 0.19 0.48 0.55 -0.07 0.00 0.00 0.00 178.15 179.30 2e5n h LEU 53 N 0.69 0.36 0.00 1.44 3.38 -0.65 0.72 115.31 121.24 2e5n h LEU 53 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2e5n h LEU 53 Cb 0.86 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2e5n h LEU 53 CO 0.08 0.16 -0.75 1.67 0.09 0.00 0.00 178.44 179.69 2e5n n GLN 54 N -4.48 0.29 0.03 1.13 7.27 -1.13 0.32 117.38 120.81 2e5n n GLN 54 Ca 0.17 0.06 0.02 0.00 0.07 0.00 0.00 57.00 57.32 2e5n n GLN 54 Cb 0.64 -1.65 -0.08 0.00 2.41 0.00 0.00 30.24 31.56 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 -2.05 0.63 0.00 3.69 1.13 0.12 -4.47 117.38 116.42 2e5n n GLN 55 Ca 0.03 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2e5n n GLN 55 Cb 0.44 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 -2.78 0.00 -4.67 5.09 0.24 0.21 -5.04 118.33 111.38 2e5n n VAL 56 Ca -0.09 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.91 2e5n n VAL 56 Cb 0.79 -0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.98 3.63 -0.07 2.33 0.00 0.15 0.12 121.76 125.93 2e5n s ALA 57 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2e5n s ALA 57 Cb 0.00 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.41 2e5n s ALA 57 CO 0.00 -0.13 -0.13 -0.80 0.00 0.00 0.00 175.76 174.70 2e5n s ASN 58 N -3.77 1.92 0.09 0.00 0.01 0.14 -3.74 114.94 109.59 2e5n s ASN 58 Ca 0.14 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.67 2e5n s ASN 58 Cb 0.03 -0.88 -0.05 0.00 0.41 0.00 0.00 41.25 40.75 2e5n s ASN 58 CO 0.08 0.03 1.00 -0.22 -1.51 0.00 0.00 177.10 176.48 2e5n s LEU 59 N 0.71 4.45 -0.55 0.60 0.20 -1.26 -1.00 118.68 121.84 2e5n s LEU 59 Ca -0.13 1.81 -0.04 0.00 0.69 0.00 0.00 54.13 56.45 2e5n s LEU 59 Cb -0.16 -3.58 0.14 0.00 -0.43 0.00 0.00 46.19 42.16 2e5n s LEU 59 CO 0.03 -0.17 0.37 0.21 -0.29 0.00 0.00 176.35 176.51 2e5n s ASN 60 N 0.34 5.39 0.56 3.68 2.47 -0.67 -4.93 114.94 121.77 2e5n s ASN 60 Ca 0.49 -2.47 0.37 0.00 0.42 0.00 0.00 52.86 51.68 2e5n s ASN 60 Cb -0.24 -1.89 1.27 0.00 -1.45 0.00 0.00 41.25 38.94 2e5n s ASN 60 CO 0.30 -0.48 1.37 -0.24 -3.72 0.00 0.00 177.10 174.33 2e5n n SER 61 N 4.05 0.00 -0.01 -4.21 2.88 -1.26 0.13 113.62 115.19 2e5n n SER 61 Ca 0.03 0.84 -0.03 0.00 -1.33 0.00 0.00 58.87 58.38 2e5n n SER 61 Cb 0.40 -0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2e5n n SER 61 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2e5n h LYS 62 N 0.00 -0.10 -0.13 -1.46 1.63 -1.95 -3.22 116.57 111.34 2e5n h LYS 62 Ca 0.69 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.49 2e5n h LYS 62 Cb 3.23 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 34.89 2e5n h LYS 62 CO -0.01 -0.07 -0.01 -3.47 -3.45 0.00 0.00 179.45 172.45 2e5n n ASP 63 N -3.14 3.06 -2.00 4.20 2.03 -0.35 -4.95 116.55 115.40 2e5n n ASP 63 Ca -0.01 -3.08 -0.09 0.00 0.52 0.00 0.00 54.79 52.14 2e5n n ASP 63 Cb 0.07 -0.49 -0.02 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 -1.00 -0.74 -4.88 -2.67 4.77 0.12 -4.91 117.00 107.70 2e5n n LEU 64 Ca 0.19 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 56.07 2e5n n LEU 64 Cb 0.76 -1.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 2e5n n LEU 64 CO 0.08 -0.23 -0.06 -0.94 -1.33 0.00 0.00 177.39 174.91 2e5n s SER 65 N -1.91 6.52 -0.14 -1.43 1.04 -1.23 -4.64 113.70 111.91 2e5n s SER 65 Ca 0.00 0.60 -0.17 0.00 0.48 0.00 0.00 55.95 56.85 2e5n s SER 65 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 2e5n s SER 65 CO 0.00 0.29 0.45 -0.31 0.98 0.00 0.00 173.24 174.65 2e5n s TYR 66 N -1.21 3.48 -0.18 5.02 2.02 0.59 -1.68 117.35 125.39 2e5n s TYR 66 Ca 0.24 0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 57.74 2e5n s TYR 66 Cb -0.13 -2.53 -0.01 0.00 -0.40 0.00 0.00 41.96 38.88 2e5n s TYR 66 CO 0.13 0.13 -0.10 0.95 -1.57 0.00 0.00 175.55 175.10 2e5n s THR 67 N 0.77 3.12 0.14 -0.71 -4.23 -0.17 -1.45 115.64 113.11 2e5n s THR 67 Ca 0.24 -0.60 -0.34 0.00 -1.18 0.00 0.00 61.69 59.81 2e5n s THR 67 Cb -0.15 -2.37 -0.14 0.00 1.34 0.00 0.00 72.50 71.19 2e5n s THR 67 CO 0.09 0.48 1.60 -0.11 -0.54 0.00 0.00 174.62 176.14 2e5n n LEU 68 N 4.19 3.09 0.00 4.79 0.00 -1.26 0.27 117.00 128.08 2e5n n LEU 68 Ca -0.18 1.07 -0.10 0.00 0.00 0.00 0.00 56.01 56.80 2e5n n LEU 68 Cb 0.52 -1.42 0.10 0.00 0.00 0.00 0.00 43.42 42.62 2e5n n LEU 68 CO 0.29 -0.28 0.11 0.29 0.00 0.00 0.00 177.39 177.80 2e5n n LYS 69 N 3.71 -1.33 -0.11 1.96 5.02 0.12 -4.83 118.16 122.69 2e5n n LYS 69 Ca 0.18 -0.47 -0.22 0.00 -2.02 0.00 0.00 58.31 55.77 2e5n n LYS 69 Cb 0.29 -0.83 -0.12 0.00 -0.02 0.00 0.00 35.03 34.35 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 -2.07 1.99 -0.21 4.39 5.75 -1.26 -4.32 116.55 120.83 2e5n n ASP 70 Ca 0.04 0.09 -0.09 0.00 -0.01 0.00 0.00 54.79 54.82 2e5n n ASP 70 Cb 0.19 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 39.67 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 -0.33 1.11 -0.74 2.11 -0.00 -1.94 -2.69 116.97 114.48 2e5n h TYR 71 Ca -0.57 -0.18 0.19 0.00 -0.00 0.00 0.00 58.73 58.17 2e5n h TYR 71 Cb 1.80 -0.29 -0.04 0.00 -0.00 0.00 0.00 36.73 38.20 2e5n h TYR 71 CO 0.01 0.98 0.52 0.28 -0.00 0.00 0.00 178.16 179.94 2e5n h VAL 72 N 0.92 0.69 -1.07 -0.90 2.07 -1.87 -0.14 116.25 115.96 2e5n h VAL 72 Ca 0.17 -0.06 0.29 0.00 0.82 0.00 0.00 66.70 67.92 2e5n h VAL 72 Cb 0.51 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2e5n h VAL 72 CO 0.02 0.03 0.73 -0.26 0.02 0.00 0.00 177.57 178.12 2e5n h PHE 73 N 0.17 0.32 -0.03 1.57 0.04 -1.67 0.67 116.94 118.02 2e5n h PHE 73 Ca 0.36 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.99 2e5n h PHE 73 Cb 1.18 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 2e5n h PHE 73 CO -0.00 0.03 -0.70 1.57 -0.60 0.00 0.00 178.31 178.61 2e5n h LYS 74 N 0.19 0.15 0.00 1.51 2.10 -1.19 -2.98 116.57 116.36 2e5n h LYS 74 Ca 0.56 -0.13 -0.03 0.00 -2.00 0.00 0.00 60.65 59.05 2e5n h LYS 74 Cb 1.80 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 33.16 2e5n h LYS 74 CO -0.15 0.79 -0.15 0.93 -2.00 0.00 0.00 179.45 178.87 2e5n h GLU 75 N 0.10 0.00 -6.94 0.07 5.08 0.26 -3.45 114.58 109.70 2e5n h GLU 75 Ca -0.02 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.85 2e5n h GLU 75 Cb 1.24 0.00 0.22 0.00 0.50 0.00 0.00 28.75 30.70 2e5n h GLU 75 CO 0.10 0.15 -0.40 1.28 -1.00 0.00 0.00 179.01 179.14 2e5n n LEU 76 N -3.38 -0.18 -3.95 1.33 4.77 -0.94 -5.01 117.00 109.64 2e5n n LEU 76 Ca -0.00 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 2e5n n LEU 76 Cb 0.34 -1.22 -0.16 0.00 -2.33 0.00 0.00 43.42 40.05 2e5n n LEU 76 CO 0.31 -3.10 -0.44 -1.10 -1.33 0.00 0.00 177.39 171.73 2e5n s GLN 77 N -3.98 1.74 0.29 3.23 -0.21 -1.26 -4.98 119.66 114.49 2e5n s GLN 77 Ca 0.61 -0.74 0.17 0.00 0.02 0.00 0.00 55.36 55.42 2e5n s GLN 77 Cb -0.20 -2.30 0.91 0.00 1.00 0.00 0.00 33.01 32.42 2e5n s GLN 77 CO 0.65 -0.46 1.47 0.54 -2.12 0.00 0.00 175.29 175.37 2e5n n ARG 78 N 4.75 0.11 -0.83 2.91 1.74 -1.26 0.18 116.66 124.26 2e5n n ARG 78 Ca -0.13 0.60 0.08 0.00 -0.77 0.00 0.00 57.85 57.62 2e5n n ARG 78 Cb 0.47 -1.96 0.40 0.00 -1.02 0.00 0.00 32.46 30.34 2e5n n ARG 78 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2e5n n ASP 79 N -2.11 5.53 -4.66 0.55 5.68 -1.26 -4.96 116.55 115.31 2e5n n ASP 79 Ca -0.01 -2.81 -0.42 0.00 -0.50 0.00 0.00 54.79 51.05 2e5n n ASP 79 Cb 0.13 -0.66 -0.03 0.00 -1.14 0.00 0.00 41.12 39.41 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 2e5n s TRP 80 N -2.53 1.75 -1.49 2.11 -0.11 0.13 -4.85 118.94 113.94 2e5n s TRP 80 Ca 0.54 -0.04 0.15 0.00 1.22 0.00 0.00 56.10 57.97 2e5n s TRP 80 Cb 0.40 -4.04 0.76 0.00 -1.50 0.00 0.00 33.47 29.09 2e5n s TRP 80 CO 0.18 -4.49 1.40 -0.35 -4.62 0.00 0.00 176.95 169.08 2e5n n PRO 81 N 7.20 0.24 0.03 5.86 -0.04 -1.26 -2.37 135.00 144.66 2e5n n PRO 81 Ca 0.18 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 2e5n n PRO 81 Cb 0.42 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.03 -1.46 3.53 0.55 0.00 -1.26 -4.73 105.19 101.79 2e5n n GLY 82 Ca 0.07 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.05 3.20 1.24 1.61 2.02 -1.00 -5.01 117.35 116.36 2e5n s TYR 83 Ca 0.11 -0.08 -0.19 0.00 -0.37 0.00 0.00 57.07 56.55 2e5n s TYR 83 Cb 0.16 -2.76 0.30 0.00 -0.40 0.00 0.00 41.96 39.26 2e5n s TYR 83 CO 0.62 -0.51 1.06 -1.12 -1.57 0.00 0.00 175.55 174.03 2e5n s SER 84 N 1.76 0.58 0.63 2.29 0.01 -1.26 -4.29 113.70 113.42 2e5n s SER 84 Ca 0.13 0.79 0.26 0.00 1.31 0.00 0.00 55.95 58.44 2e5n s SER 84 Cb -0.16 -1.13 1.37 0.00 0.21 0.00 0.00 66.02 66.30 2e5n s SER 84 CO 0.12 -4.35 1.78 -0.08 0.41 0.00 0.00 173.24 171.13 2e5n h GLU 85 N -2.73 0.00 0.02 12.44 4.81 -1.99 -1.00 114.58 126.13 2e5n h GLU 85 Ca -0.47 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.38 2e5n h GLU 85 Cb 1.31 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 2e5n h GLU 85 CO 0.36 0.00 -2.22 -0.89 -0.73 0.00 0.00 179.01 175.53 2e5n n ILE 86 N -3.23 1.56 -0.06 2.32 -0.00 -1.26 -4.29 119.36 114.39 2e5n n ILE 86 Ca 0.04 -0.41 -0.09 0.00 -0.00 0.00 0.00 62.75 62.30 2e5n n ILE 86 Cb 0.65 -1.76 -0.03 0.00 -0.00 0.00 0.00 39.64 38.50 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 -0.57 -0.98 -0.72 4.38 5.19 -1.51 0.26 116.42 122.46 2e5n h ASP 87 Ca -0.57 0.16 0.14 0.00 -0.62 0.00 0.00 57.03 56.15 2e5n h ASP 87 Cb 1.70 0.44 -0.14 0.00 0.18 0.00 0.00 39.33 41.52 2e5n h ASP 87 CO -0.22 -0.33 -0.19 0.03 -3.12 0.00 0.00 179.24 175.42 2e5n h ARG 88 N -0.31 -0.00 0.00 3.56 3.08 -1.47 0.87 114.38 120.11 2e5n h ARG 88 Ca 0.14 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2e5n h ARG 88 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2e5n h ARG 88 CO -0.43 -0.00 -0.23 0.07 -1.07 0.00 0.00 179.97 178.31 2e5n h ARG 89 N -0.00 0.00 0.00 0.04 0.11 -1.49 -1.26 114.38 111.78 2e5n h ARG 89 Ca 0.34 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.40 2e5n h ARG 89 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 2e5n h ARG 89 CO -0.75 0.23 -0.16 1.03 0.10 0.00 0.00 179.97 180.42 2e5n h SER 90 N 0.00 0.00 0.03 0.08 0.87 0.40 -3.34 113.55 111.58 2e5n h SER 90 Ca -0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 2e5n h SER 90 Cb 0.77 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 2e5n h SER 90 CO 0.03 0.09 -1.68 -0.11 -0.53 0.00 0.00 176.83 174.63 2e5n n LEU 91 N -3.09 2.09 -0.03 2.23 0.00 0.16 -4.10 117.00 114.27 2e5n n LEU 91 Ca 0.03 0.34 0.22 0.00 0.00 0.00 0.00 56.01 56.60 2e5n n LEU 91 Cb 0.57 -0.97 0.49 0.00 0.00 0.00 0.00 43.42 43.51 2e5n n LEU 91 CO 0.36 0.48 1.20 1.05 0.00 0.00 0.00 177.39 180.47 2e5n h GLU 92 N -0.72 0.00 0.04 1.96 4.11 -1.36 0.26 114.58 118.87 2e5n h GLU 92 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.99 2e5n h GLU 92 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2e5n h GLU 92 CO -0.18 0.00 -0.02 1.03 0.07 0.00 0.00 179.01 179.91 2e5n h SER 93 N 0.00 -0.05 -0.56 3.06 0.87 -1.72 -3.15 113.55 112.01 2e5n h SER 93 Ca 0.32 -0.58 0.11 0.00 -1.23 0.00 0.00 61.79 60.41 2e5n h SER 93 Cb 2.17 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 64.04 2e5n h SER 93 CO -0.00 0.69 -0.19 0.58 -0.53 0.00 0.00 176.83 177.37 2e5n h VAL 94 N -0.92 0.36 -0.59 2.23 2.07 -0.64 0.29 116.25 119.05 2e5n h VAL 94 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2e5n h VAL 94 Cb 0.63 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2e5n h VAL 94 CO 0.01 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.92 2e5n h LEU 95 N -0.06 0.44 -0.53 2.57 3.38 -1.61 0.25 115.31 119.75 2e5n h LEU 95 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 2e5n h LEU 95 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2e5n h LEU 95 CO -0.60 0.28 -0.20 -1.28 0.09 0.00 0.00 178.44 176.72 2e5n h SER 96 N 0.50 0.99 0.12 -0.43 0.87 -0.42 0.58 113.55 115.75 2e5n h SER 96 Ca 0.26 -0.37 -0.26 0.00 -1.23 0.00 0.00 61.79 60.20 2e5n h SER 96 Cb 0.40 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2e5n h SER 96 CO -0.08 1.16 -1.05 0.03 -0.53 0.00 0.00 176.83 176.36 2e5n h ARG 97 N 0.84 0.61 0.06 2.24 3.08 -0.04 -3.38 114.38 117.80 2e5n h ARG 97 Ca 0.11 -0.68 -0.00 0.00 0.07 0.00 0.00 59.98 59.48 2e5n h ARG 97 Cb 0.77 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2e5n h ARG 97 CO 0.06 1.28 -0.03 0.87 -1.07 0.00 0.00 179.97 181.08 2e5n h LYS 98 N 0.34 -0.08 -5.86 0.04 1.79 -0.51 -3.42 116.57 108.87 2e5n h LYS 98 Ca -0.12 0.01 -0.43 0.00 -2.18 0.00 0.00 60.65 57.92 2e5n h LYS 98 Cb 1.70 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 32.33 2e5n h LYS 98 CO 0.20 -0.05 1.19 -0.51 -1.08 0.00 0.00 179.45 179.19 2e5n s LEU 99 N -6.82 3.26 0.00 2.94 1.43 0.20 -5.07 118.68 114.62 2e5n s LEU 99 Ca -0.01 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2e5n s LEU 99 Cb 0.00 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.69 2e5n s LEU 99 CO 0.04 -2.56 0.15 0.59 0.23 0.00 0.00 176.35 174.80