#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n s SER 2 N 0.00 -0.59 -0.70 1.61 0.01 -1.26 -5.11 113.70 107.66 2e5n s SER 2 Ca 0.00 0.89 -0.25 0.00 1.31 0.00 0.00 55.95 57.90 2e5n s SER 2 Cb 0.00 0.82 0.05 0.00 0.21 0.00 0.00 66.02 67.10 2e5n s SER 2 CO 0.00 -0.37 1.12 -0.94 0.41 0.00 0.00 173.24 173.46 2e5n s SER 3 N -0.46 6.17 0.00 2.44 1.04 -1.26 -4.65 113.70 116.98 2e5n s SER 3 Ca -0.03 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2e5n s SER 3 Cb -0.02 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2e5n s SER 3 CO 0.03 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.22 2e5n n GLY 4 N 5.35 -1.35 3.40 7.32 0.00 -1.26 -5.12 105.19 113.52 2e5n n GLY 4 Ca -0.00 0.71 -0.36 0.00 0.00 0.00 0.00 46.02 46.37 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 2.00 4.77 0.10 1.61 0.01 -1.26 -5.09 113.70 115.83 2e5n s SER 5 Ca 0.00 -0.26 -0.27 0.00 1.31 0.00 0.00 55.95 56.72 2e5n s SER 5 Cb 0.00 -1.83 -0.06 0.00 0.21 0.00 0.00 66.02 64.34 2e5n s SER 5 CO 0.00 0.00 0.85 -0.55 0.41 0.00 0.00 173.24 173.95 2e5n s SER 6 N 1.38 7.37 0.85 2.44 0.15 -1.26 -5.04 113.70 119.59 2e5n s SER 6 Ca 0.05 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.33 2e5n s SER 6 Cb -0.15 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2e5n s SER 6 CO 0.01 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2e5n n GLY 7 N 2.19 -1.83 3.86 9.45 0.00 -1.26 -5.09 105.19 112.50 2e5n n GLY 7 Ca -0.01 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.85 1.59 0.06 2.61 2.01 -1.26 -4.92 115.64 114.87 2e5n s THR 8 Ca 0.00 -1.63 -0.24 0.00 0.31 0.00 0.00 61.69 60.12 2e5n s THR 8 Cb 0.00 -2.22 -0.17 0.00 0.01 0.00 0.00 72.50 70.12 2e5n s THR 8 CO 0.00 0.00 1.59 0.40 -0.69 0.00 0.00 174.62 175.92 2e5n h ILE 9 N 0.96 1.10 -0.69 1.82 1.08 -1.95 -1.26 117.51 118.56 2e5n h ILE 9 Ca -0.39 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 2e5n h ILE 9 Cb 1.30 1.33 -0.04 0.00 -3.07 0.00 0.00 36.82 36.35 2e5n h ILE 9 CO 0.62 0.09 0.46 0.28 -0.69 0.00 0.00 178.15 178.91 2e5n h SER 10 N -0.17 0.78 0.11 1.72 0.02 -1.95 -1.71 113.55 112.35 2e5n h SER 10 Ca -0.00 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 2e5n h SER 10 Cb 0.17 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2e5n h SER 10 CO 0.00 0.56 -0.38 1.56 -1.14 0.00 0.00 176.83 177.43 2e5n h GLN 11 N 0.92 0.37 -7.20 3.45 1.08 -1.91 -3.44 115.11 108.37 2e5n h GLN 11 Ca 0.26 -0.17 -0.51 0.00 -1.45 0.00 0.00 58.65 56.78 2e5n h GLN 11 Cb -0.07 -0.00 0.11 0.00 -0.05 0.00 0.00 27.48 27.46 2e5n h GLN 11 CO -0.06 0.70 0.37 1.03 -0.95 0.00 0.00 178.83 179.92 2e5n s ARG 12 N -4.23 2.68 0.52 1.46 1.81 -0.50 -4.95 118.95 115.75 2e5n s ARG 12 Ca -0.06 1.42 -0.20 0.00 -1.72 0.00 0.00 55.73 55.17 2e5n s ARG 12 Cb 0.13 -1.93 -0.06 0.00 -0.45 0.00 0.00 34.95 32.64 2e5n s ARG 12 CO 0.79 -1.35 1.14 -1.25 -0.68 0.00 0.00 175.30 173.94 2e5n s PRO 13 N -4.12 3.46 0.04 3.54 0.04 -1.26 -4.90 135.00 131.80 2e5n s PRO 13 Ca 0.67 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 2e5n s PRO 13 Cb -0.21 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2e5n s PRO 13 CO 0.43 -0.77 1.17 -0.92 0.04 0.00 0.00 177.00 176.95 2e5n h TYR 14 N 1.42 -0.51 -0.68 0.56 3.20 -1.94 -1.96 116.97 117.06 2e5n h TYR 14 Ca -0.50 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.51 2e5n h TYR 14 Cb 1.26 0.23 -0.12 0.00 1.54 0.00 0.00 36.73 39.64 2e5n h TYR 14 CO 0.52 -0.17 -0.23 -2.13 -1.64 0.00 0.00 178.16 174.51 2e5n n ARG 15 N -3.47 -0.12 -0.01 1.82 0.63 -1.26 0.11 116.66 114.36 2e5n n ARG 15 Ca -0.02 1.05 -0.10 0.00 -0.92 0.00 0.00 57.85 57.86 2e5n n ARG 15 Cb 0.12 -1.56 -0.03 0.00 0.45 0.00 0.00 32.46 31.43 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 -0.88 -0.20 6.15 5.19 -1.75 0.27 116.42 125.20 2e5n h ASP 16 Ca 0.27 0.14 0.04 0.00 -0.62 0.00 0.00 57.03 56.86 2e5n h ASP 16 Cb 0.44 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 2e5n h ASP 16 CO -0.68 -0.32 0.14 0.03 -3.12 0.00 0.00 179.24 175.28 2e5n h ARG 17 N -0.34 0.09 -0.01 3.56 3.08 0.12 0.34 114.38 121.21 2e5n h ARG 17 Ca 0.11 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2e5n h ARG 17 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2e5n h ARG 17 CO -0.35 0.06 -0.05 0.28 -1.07 0.00 0.00 179.97 178.84 2e5n h VAL 18 N 0.09 1.51 -0.17 2.04 2.07 0.90 -2.94 116.25 119.76 2e5n h VAL 18 Ca 0.09 -1.58 -0.11 0.00 0.82 0.00 0.00 66.70 65.92 2e5n h VAL 18 Cb 0.26 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2e5n h VAL 18 CO -0.01 0.42 -0.37 0.16 0.02 0.00 0.00 177.57 177.79 2e5n h ILE 19 N -0.58 1.30 0.00 4.57 3.07 -0.10 -1.33 117.51 124.43 2e5n h ILE 19 Ca -0.00 -1.47 -0.03 0.00 1.55 0.00 0.00 64.86 64.91 2e5n h ILE 19 Cb 0.71 1.58 -0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2e5n h ILE 19 CO 0.01 0.45 -0.14 0.45 -1.05 0.00 0.00 178.15 177.87 2e5n h HIS 20 N 0.31 0.00 0.06 0.16 3.86 -0.40 -0.76 115.15 118.38 2e5n h HIS 20 Ca 0.03 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.96 2e5n h HIS 20 Cb 0.80 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 2e5n h HIS 20 CO 0.02 0.14 -1.55 -0.07 0.86 0.00 0.00 177.93 177.33 2e5n h LEU 21 N 0.00 0.20 -1.75 2.43 3.38 -1.28 -3.37 115.31 114.93 2e5n h LEU 21 Ca -0.00 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 2e5n h LEU 21 Cb 0.40 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2e5n h LEU 21 CO 0.02 1.64 -0.15 -0.07 0.09 0.00 0.00 178.44 179.97 2e5n h LEU 22 N -0.52 0.00 0.01 1.67 3.38 -1.17 -3.21 115.31 115.48 2e5n h LEU 22 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2e5n h LEU 22 Cb 1.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2e5n h LEU 22 CO -0.07 0.15 -0.09 0.00 0.09 0.00 0.00 178.44 178.53 2e5n h ALA 23 N 1.85 -0.61 -0.91 1.53 0.00 -1.29 -2.58 119.26 117.25 2e5n h ALA 23 Ca -0.00 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2e5n h ALA 23 Cb 0.29 0.54 -0.17 0.00 0.00 0.00 0.00 17.79 18.45 2e5n h ALA 23 CO 0.02 -0.63 -0.26 -0.07 0.00 0.00 0.00 179.25 178.31 2e5n h LEU 24 N -0.12 -0.95 -8.06 0.00 3.38 -1.74 -3.44 115.31 104.38 2e5n h LEU 24 Ca -0.00 0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.28 2e5n h LEU 24 Cb 0.12 0.59 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 2e5n h LEU 24 CO -0.05 -0.30 0.14 -1.59 0.09 0.00 0.00 178.44 176.73 2e5n s LYS 25 N -6.20 1.74 0.18 1.13 -2.85 -0.97 -5.06 119.74 107.72 2e5n s LYS 25 Ca -0.15 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.46 2e5n s LYS 25 Cb 0.24 0.58 -0.08 0.00 -2.06 0.00 0.00 37.83 36.51 2e5n s LYS 25 CO 0.76 -0.78 1.17 0.00 0.10 0.00 0.00 175.35 176.60 2e5n s ALA 26 N -3.92 3.42 0.07 0.59 0.00 -1.25 -4.05 121.76 116.62 2e5n s ALA 26 Ca 0.14 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.09 2e5n s ALA 26 Cb -0.05 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2e5n s ALA 26 CO 0.08 -0.33 -0.20 0.71 0.00 0.00 0.00 175.76 176.02 2e5n s TYR 27 N -0.13 1.69 0.22 0.00 1.51 -0.24 -4.83 117.35 115.58 2e5n s TYR 27 Ca 0.52 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 56.05 2e5n s TYR 27 Cb -0.32 -0.97 -0.07 0.00 -0.11 0.00 0.00 41.96 40.49 2e5n s TYR 27 CO 0.36 0.13 0.59 0.15 -1.11 0.00 0.00 175.55 175.68 2e5n s LYS 28 N -1.52 3.92 0.15 -0.62 1.02 -1.26 0.15 119.74 121.58 2e5n s LYS 28 Ca 0.06 0.45 -0.14 0.00 0.02 0.00 0.00 55.97 56.35 2e5n s LYS 28 Cb -0.09 -2.72 0.13 0.00 -0.52 0.00 0.00 37.83 34.62 2e5n s LYS 28 CO 0.03 0.35 1.10 1.17 -0.92 0.00 0.00 175.35 177.08 2e5n n LYS 29 N 0.19 -0.20 -0.03 1.68 3.00 -1.26 0.58 118.16 122.13 2e5n n LYS 29 Ca -0.01 1.09 -0.13 0.00 -0.00 0.00 0.00 58.31 59.26 2e5n n LYS 29 Cb 0.52 -1.62 -0.09 0.00 0.00 0.00 0.00 35.03 33.85 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 0.15 0.40 1.64 0.13 -1.95 -3.18 132.00 129.19 2e5n h PRO 30 Ca 0.22 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 2e5n h PRO 30 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2e5n h PRO 30 CO -0.70 0.59 -0.33 1.49 -0.23 0.00 0.00 178.00 178.82 2e5n h GLU 31 N -0.29 -0.68 -0.93 0.86 4.81 -1.02 -2.47 114.58 114.86 2e5n h GLU 31 Ca 0.01 0.05 0.31 0.00 -0.13 0.00 0.00 59.36 59.60 2e5n h GLU 31 Cb 0.57 0.16 -0.17 0.00 0.63 0.00 0.00 28.75 29.93 2e5n h GLU 31 CO 0.01 -0.46 0.23 -0.11 -0.73 0.00 0.00 179.01 177.96 2e5n n LEU 32 N -4.38 0.08 0.40 1.64 0.00 0.20 -0.13 117.00 114.82 2e5n n LEU 32 Ca -0.09 1.56 -0.19 0.00 0.00 0.00 0.00 56.01 57.29 2e5n n LEU 32 Cb 0.31 -0.65 -0.10 0.00 0.00 0.00 0.00 43.42 42.98 2e5n n LEU 32 CO 0.19 -1.65 0.56 -0.07 0.00 0.00 0.00 177.39 176.42 2e5n h LEU 33 N 0.00 -1.15 -1.36 -1.96 3.38 -1.43 -2.17 115.31 110.62 2e5n h LEU 33 Ca 0.66 0.06 0.42 0.00 0.09 0.00 0.00 57.88 59.12 2e5n h LEU 33 Cb 1.57 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 42.58 2e5n h LEU 33 CO -0.80 -0.70 0.95 0.00 0.09 0.00 0.00 178.44 177.97 2e5n n ALA 34 N -2.69 1.32 0.01 1.53 0.00 0.82 0.23 120.51 121.74 2e5n n ALA 34 Ca -0.14 0.58 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 2e5n n ALA 34 Cb 0.47 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 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 0.30 0.11 0.00 2.47 -1.31 -3.19 114.38 112.76 2e5n h ARG 35 Ca 0.72 -0.39 -0.01 0.00 -1.26 0.00 0.00 59.98 59.04 2e5n h ARG 35 Cb 2.67 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 31.12 2e5n h ARG 35 CO -0.16 1.12 -0.05 -0.07 0.56 0.00 0.00 179.97 181.37 2e5n h LEU 36 N -0.34 -0.12 -1.11 3.04 3.38 0.32 -3.28 115.31 117.20 2e5n h LEU 36 Ca -0.09 -0.42 0.36 0.00 0.09 0.00 0.00 57.88 57.82 2e5n h LEU 36 Cb 1.36 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 42.00 2e5n h LEU 36 CO 0.11 0.50 0.63 1.56 0.09 0.00 0.00 178.44 181.33 2e5n h GLN 37 N -0.90 0.22 -0.32 1.13 1.08 -0.02 0.12 115.11 116.43 2e5n h GLN 37 Ca -0.02 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2e5n h GLN 37 Cb 0.54 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.84 2e5n h GLN 37 CO 0.02 0.15 -0.52 0.87 -0.95 0.00 0.00 178.83 178.40 2e5n h LYS 38 N 0.23 -0.42 0.00 1.46 1.57 -1.60 0.13 116.57 117.93 2e5n h LYS 38 Ca 0.76 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 2e5n h LYS 38 Cb 1.94 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.35 2e5n h LYS 38 CO -0.57 -0.28 0.00 -0.44 -0.57 0.00 0.00 179.45 177.58 2e5n h ASP 39 N -0.44 0.00 0.00 0.86 3.32 -1.18 -3.48 116.42 115.51 2e5n h ASP 39 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2e5n h ASP 39 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2e5n h ASP 39 CO -0.54 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.59 2e5n n GLY 40 N 0.34 3.59 3.23 2.75 0.00 0.47 -5.01 105.19 110.56 2e5n n GLY 40 Ca 0.02 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 1.56 -0.16 1.61 1.01 -1.26 -4.63 120.40 118.53 2e5n s VAL 41 Ca 0.00 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 2e5n s VAL 41 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2e5n s VAL 41 CO 0.00 0.13 0.56 0.20 0.00 0.00 0.00 175.10 175.99 2e5n s ASN 42 N -1.28 6.67 0.16 3.32 0.01 -1.26 -4.98 114.94 117.60 2e5n s ASN 42 Ca 0.06 0.81 -0.20 0.00 -0.71 0.00 0.00 52.86 52.82 2e5n s ASN 42 Cb -0.09 -2.32 0.07 0.00 0.41 0.00 0.00 41.25 39.33 2e5n s ASN 42 CO 0.02 -0.16 1.64 0.06 -1.51 0.00 0.00 177.10 177.15 2e5n h GLN 43 N 7.21 -0.14 -0.04 -0.60 3.07 -2.00 0.44 115.11 123.05 2e5n h GLN 43 Ca -0.36 0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.40 2e5n h GLN 43 Cb 1.16 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 2e5n h GLN 43 CO 0.76 -0.09 0.24 1.57 0.09 0.00 0.00 178.83 181.39 2e5n h LYS 44 N -0.15 0.00 0.04 0.06 2.10 -2.03 0.49 116.57 117.09 2e5n h LYS 44 Ca 0.18 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.50 2e5n h LYS 44 Cb 0.42 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.71 2e5n h LYS 44 CO -0.44 0.00 -1.90 -0.25 -2.00 0.00 0.00 179.45 174.87 2e5n n ASP 45 N -3.06 1.29 -0.15 7.07 8.00 0.13 -4.13 116.55 125.69 2e5n n ASP 45 Ca -0.01 0.29 -0.03 0.00 0.71 0.00 0.00 54.79 55.74 2e5n n ASP 45 Cb 0.31 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.16 2e5n n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2e5n h LYS 46 N 0.03 -0.03 -0.70 -1.24 1.57 0.15 0.38 116.57 116.73 2e5n h LYS 46 Ca -0.37 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 2e5n h LYS 46 Cb 2.03 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 34.31 2e5n h LYS 46 CO 0.07 -0.02 0.46 -0.91 -0.57 0.00 0.00 179.45 178.49 2e5n h ASN 47 N -0.03 0.72 0.40 0.86 2.35 -1.72 -1.68 115.58 116.47 2e5n h ASN 47 Ca 0.23 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.80 2e5n h ASN 47 Cb 0.39 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2e5n h ASN 47 CO -0.52 0.49 -0.73 0.28 -1.65 0.00 0.00 177.43 175.31 2e5n h SER 48 N 0.83 0.33 -0.97 5.81 0.02 -0.99 -3.30 113.55 115.28 2e5n h SER 48 Ca 0.28 -0.22 0.14 0.00 -0.84 0.00 0.00 61.79 61.15 2e5n h SER 48 Cb 0.09 -0.10 -0.15 0.00 0.14 0.00 0.00 62.40 62.38 2e5n h SER 48 CO -0.08 0.94 -0.42 -0.11 -1.14 0.00 0.00 176.83 176.02 2e5n n LEU 49 N -3.80 -0.72 -0.33 5.07 0.00 0.11 0.13 117.00 117.46 2e5n n LEU 49 Ca -0.03 1.70 0.21 0.00 0.00 0.00 0.00 56.01 57.88 2e5n n LEU 49 Cb 0.70 -0.35 0.47 0.00 0.00 0.00 0.00 43.42 44.24 2e5n n LEU 49 CO 0.46 -1.49 1.21 1.23 0.00 0.00 0.00 177.39 178.80 2e5n h GLY 50 N 0.00 1.38 1.09 -3.96 0.00 -1.65 0.98 103.07 100.91 2e5n h GLY 50 Ca 0.30 -0.24 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 2e5n h GLY 50 CO -0.95 -0.15 -0.72 0.00 0.00 0.00 0.00 176.54 174.72 2e5n h ALA 51 N 1.64 0.26 -0.31 3.60 0.00 0.84 -3.29 119.26 122.00 2e5n h ALA 51 Ca 0.60 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2e5n h ALA 51 Cb 1.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2e5n h ALA 51 CO -0.33 0.60 0.14 0.82 0.00 0.00 0.00 179.25 180.48 2e5n h ILE 52 N 0.41 1.16 -1.10 0.00 2.04 0.68 -1.72 117.51 118.98 2e5n h ILE 52 Ca -0.05 -0.47 0.30 0.00 1.00 0.00 0.00 64.86 65.64 2e5n h ILE 52 Cb 1.36 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 38.26 2e5n h ILE 52 CO 0.15 0.17 0.74 -0.07 0.00 0.00 0.00 178.15 179.14 2e5n h LEU 53 N 0.37 0.26 0.00 1.44 3.38 -1.03 1.12 115.31 120.85 2e5n h LEU 53 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2e5n h LEU 53 Cb 0.13 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2e5n h LEU 53 CO -0.01 0.04 -0.79 1.56 0.09 0.00 0.00 178.44 179.32 2e5n h GLN 54 N 0.22 0.00 0.00 1.13 4.20 -1.49 0.81 115.11 119.98 2e5n h GLN 54 Ca 0.59 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.21 2e5n h GLN 54 Cb 1.85 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.61 2e5n h GLN 54 CO -0.19 0.00 -0.95 1.96 -0.67 0.00 0.00 178.83 178.98 2e5n h GLN 55 N 0.00 0.00 0.00 1.46 1.08 0.19 -3.39 115.11 114.45 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 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2e5n h GLN 55 CO 0.00 0.23 -0.82 1.33 -0.95 0.00 0.00 178.83 178.62 2e5n n VAL 56 N -2.93 0.00 -4.59 -0.54 0.24 0.12 -5.05 118.33 105.58 2e5n n VAL 56 Ca -0.03 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.99 2e5n n VAL 56 Cb 0.71 -0.12 -0.08 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.72 3.25 -0.05 2.33 0.00 0.28 0.08 121.76 125.93 2e5n s ALA 57 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.94 2e5n s ALA 57 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2e5n s ALA 57 CO 0.00 -0.24 -0.17 -0.80 0.00 0.00 0.00 175.76 174.56 2e5n s ASN 58 N -3.68 2.15 0.06 0.00 0.01 0.14 -3.54 114.94 110.08 2e5n s ASN 58 Ca 0.19 -0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 51.68 2e5n s ASN 58 Cb 0.03 -0.74 -0.05 0.00 0.41 0.00 0.00 41.25 40.90 2e5n s ASN 58 CO 0.11 0.12 1.01 -0.22 -1.51 0.00 0.00 177.10 176.62 2e5n s LEU 59 N 0.22 4.43 -0.65 0.60 0.20 -1.26 -0.32 118.68 121.91 2e5n s LEU 59 Ca -0.08 1.79 -0.06 0.00 0.69 0.00 0.00 54.13 56.48 2e5n s LEU 59 Cb -0.13 -3.58 0.17 0.00 -0.43 0.00 0.00 46.19 42.22 2e5n s LEU 59 CO 0.03 -0.21 0.49 0.21 -0.29 0.00 0.00 176.35 176.58 2e5n s ASN 60 N 0.55 5.58 0.46 3.68 2.47 -0.40 -4.93 114.94 122.36 2e5n s ASN 60 Ca 0.51 -2.73 0.39 0.00 0.42 0.00 0.00 52.86 51.45 2e5n s ASN 60 Cb -0.24 -1.94 1.50 0.00 -1.45 0.00 0.00 41.25 39.13 2e5n s ASN 60 CO 0.29 -0.44 1.46 -1.20 -3.72 0.00 0.00 177.10 173.49 2e5n n SER 61 N 3.72 0.10 -0.06 -4.21 7.64 -1.26 0.71 113.62 120.26 2e5n n SER 61 Ca 0.08 1.12 -0.02 0.00 1.01 0.00 0.00 58.87 61.05 2e5n n SER 61 Cb 0.40 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.01 -0.11 1.43 3.64 -1.95 -3.10 116.57 116.47 2e5n h LYS 62 Ca 0.85 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.23 2e5n h LYS 62 Cb 3.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.90 2e5n h LYS 62 CO -0.23 -0.01 0.00 -3.47 -2.27 0.00 0.00 179.45 173.47 2e5n n ASP 63 N -3.33 2.47 -2.09 4.20 -0.08 -0.47 -4.96 116.55 112.29 2e5n n ASP 63 Ca 0.00 -2.29 -0.21 0.00 -1.51 0.00 0.00 54.79 50.79 2e5n n ASP 63 Cb 0.04 -0.18 -0.04 0.00 2.34 0.00 0.00 41.12 43.28 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2e5n n LEU 64 N -0.41 -1.78 -4.84 -2.67 4.77 0.22 -4.96 117.00 107.33 2e5n n LEU 64 Ca 0.08 0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 55.88 2e5n n LEU 64 Cb 0.42 -2.92 -0.06 0.00 -2.33 0.00 0.00 43.42 38.53 2e5n n LEU 64 CO 0.04 -0.56 -0.07 -0.94 -1.33 0.00 0.00 177.39 174.53 2e5n s SER 65 N -2.33 6.51 -0.13 -1.43 1.04 -1.20 -4.43 113.70 111.73 2e5n s SER 65 Ca 0.00 0.61 -0.20 0.00 0.48 0.00 0.00 55.95 56.84 2e5n s SER 65 Cb 0.00 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 2e5n s SER 65 CO 0.00 0.33 0.59 -0.31 0.98 0.00 0.00 173.24 174.83 2e5n s TYR 66 N -0.78 3.48 -0.20 5.02 2.02 0.12 -1.27 117.35 125.74 2e5n s TYR 66 Ca 0.17 0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 57.82 2e5n s TYR 66 Cb -0.14 -2.71 -0.02 0.00 -0.40 0.00 0.00 41.96 38.70 2e5n s TYR 66 CO 0.07 0.02 -0.01 0.95 -1.57 0.00 0.00 175.55 175.00 2e5n s THR 67 N 1.15 3.83 0.12 -0.71 -4.23 0.57 -1.08 115.64 115.29 2e5n s THR 67 Ca 0.30 -0.35 -0.34 0.00 -1.18 0.00 0.00 61.69 60.11 2e5n s THR 67 Cb -0.16 -2.73 -0.14 0.00 1.34 0.00 0.00 72.50 70.81 2e5n s THR 67 CO 0.12 0.43 1.61 -0.11 -0.54 0.00 0.00 174.62 176.14 2e5n n LEU 68 N 4.27 3.09 0.00 4.79 0.00 -1.26 0.26 117.00 128.14 2e5n n LEU 68 Ca -0.17 1.07 -0.10 0.00 0.00 0.00 0.00 56.01 56.81 2e5n n LEU 68 Cb 0.52 -1.41 0.10 0.00 0.00 0.00 0.00 43.42 42.63 2e5n n LEU 68 CO 0.31 -0.29 0.11 0.29 0.00 0.00 0.00 177.39 177.82 2e5n n LYS 69 N 3.84 -1.20 -0.10 1.96 5.02 0.11 -4.84 118.16 122.96 2e5n n LYS 69 Ca 0.18 -0.48 -0.20 0.00 -2.02 0.00 0.00 58.31 55.79 2e5n n LYS 69 Cb 0.28 -0.89 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 2e5n n LYS 69 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2e5n n ASP 70 N -1.84 2.01 -0.11 4.39 -0.08 -1.26 -4.35 116.55 115.32 2e5n n ASP 70 Ca 0.05 0.01 -0.11 0.00 -1.51 0.00 0.00 54.79 53.22 2e5n n ASP 70 Cb 0.20 -0.58 -0.03 0.00 2.34 0.00 0.00 41.12 43.05 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 2e5n h TYR 71 N -0.11 0.69 -1.06 -0.67 -0.00 -1.94 -2.90 116.97 110.97 2e5n h TYR 71 Ca -0.55 -0.15 0.29 0.00 -0.00 0.00 0.00 58.73 58.32 2e5n h TYR 71 Cb 1.88 -0.17 -0.06 0.00 -0.00 0.00 0.00 36.73 38.38 2e5n h TYR 71 CO 0.03 0.79 0.73 0.28 -0.00 0.00 0.00 178.16 179.99 2e5n h VAL 72 N 0.39 0.49 -1.12 -0.90 2.07 -1.87 0.17 116.25 115.48 2e5n h VAL 72 Ca 0.08 -0.06 0.31 0.00 0.82 0.00 0.00 66.70 67.85 2e5n h VAL 72 Cb 0.57 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2e5n h VAL 72 CO 0.03 0.03 0.77 -0.26 0.02 0.00 0.00 177.57 178.16 2e5n h PHE 73 N 0.18 0.28 0.00 1.57 0.04 -1.70 0.98 116.94 118.28 2e5n h PHE 73 Ca 0.55 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 61.20 2e5n h PHE 73 Cb 1.80 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.86 2e5n h PHE 73 CO -0.00 0.02 -0.61 1.57 -0.60 0.00 0.00 178.31 178.69 2e5n h LYS 74 N 0.16 0.00 0.00 1.51 2.10 -0.85 -3.01 116.57 116.48 2e5n h LYS 74 Ca 0.58 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.17 2e5n h LYS 74 Cb 1.94 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.26 2e5n h LYS 74 CO -0.14 0.61 -0.27 0.93 -2.00 0.00 0.00 179.45 178.58 2e5n h GLU 75 N 0.00 0.00 -6.46 0.07 5.08 0.88 -3.46 114.58 110.70 2e5n h GLU 75 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2e5n h GLU 75 Cb 1.18 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.61 2e5n h GLU 75 CO 0.08 0.27 -0.49 1.28 -1.00 0.00 0.00 179.01 179.16 2e5n n LEU 76 N -3.30 -1.49 -3.70 1.33 4.77 -0.82 -5.01 117.00 108.78 2e5n n LEU 76 Ca 0.01 -0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 55.31 2e5n n LEU 76 Cb 0.53 -0.89 -0.16 0.00 -2.33 0.00 0.00 43.42 40.57 2e5n n LEU 76 CO 0.35 -3.46 -0.35 -1.10 -1.33 0.00 0.00 177.39 171.50 2e5n s GLN 77 N -3.81 0.59 0.43 3.23 -1.52 -1.26 -4.98 119.66 112.33 2e5n s GLN 77 Ca 0.50 -0.66 0.19 0.00 -1.95 0.00 0.00 55.36 53.44 2e5n s GLN 77 Cb -0.10 -1.91 1.04 0.00 -0.22 0.00 0.00 33.01 31.82 2e5n s GLN 77 CO 0.49 -0.82 1.53 0.00 -0.25 0.00 0.00 175.29 176.23 2e5n h ARG 78 N 8.22 0.00 -0.62 2.91 3.08 -1.96 0.77 114.38 126.78 2e5n h ARG 78 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2e5n h ARG 78 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2e5n h ARG 78 CO 0.40 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.90 2e5n n ASP 79 N -2.33 5.30 -4.66 7.04 5.68 -1.26 -4.96 116.55 121.36 2e5n n ASP 79 Ca -0.01 -2.82 -0.42 0.00 -0.50 0.00 0.00 54.79 51.04 2e5n n ASP 79 Cb 0.31 -0.66 -0.03 0.00 -1.14 0.00 0.00 41.12 39.60 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 -2.55 1.68 -2.00 2.11 -0.11 0.27 -4.85 118.94 113.49 2e5n s TRP 80 Ca 0.50 -0.09 0.12 0.00 1.22 0.00 0.00 56.10 57.85 2e5n s TRP 80 Cb 0.38 -4.06 0.70 0.00 -1.50 0.00 0.00 33.47 28.98 2e5n s TRP 80 CO 0.15 -4.61 1.13 -0.35 -4.62 0.00 0.00 176.95 168.65 2e5n n PRO 81 N 7.27 0.49 0.01 5.86 -0.04 -1.26 -2.36 135.00 144.96 2e5n n PRO 81 Ca 0.18 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2e5n n PRO 81 Cb 0.42 -1.37 0.21 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.26 3.54 0.55 0.00 -1.26 -4.79 105.19 101.94 2e5n n GLY 82 Ca 0.09 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.03 3.21 1.28 1.61 2.02 -1.00 -5.01 117.35 116.44 2e5n s TYR 83 Ca 0.10 -0.08 -0.21 0.00 -0.37 0.00 0.00 57.07 56.50 2e5n s TYR 83 Cb 0.17 -2.66 0.32 0.00 -0.40 0.00 0.00 41.96 39.39 2e5n s TYR 83 CO 0.71 -0.44 1.07 -1.12 -1.57 0.00 0.00 175.55 174.20 2e5n s SER 84 N 1.74 0.21 0.63 2.29 0.01 -1.26 -4.26 113.70 113.05 2e5n s SER 84 Ca 0.11 0.61 0.25 0.00 1.31 0.00 0.00 55.95 58.23 2e5n s SER 84 Cb -0.17 -0.82 1.26 0.00 0.21 0.00 0.00 66.02 66.50 2e5n s SER 84 CO 0.12 -4.56 1.71 -0.08 0.41 0.00 0.00 173.24 170.83 2e5n h GLU 85 N -2.88 0.00 0.00 12.44 4.81 -2.00 -1.49 114.58 125.46 2e5n h GLU 85 Ca -0.43 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.68 2e5n h GLU 85 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2e5n h GLU 85 CO 0.29 0.00 -1.17 -0.89 -0.73 0.00 0.00 179.01 176.52 2e5n n ILE 86 N -3.18 1.48 -0.33 2.32 -0.00 -1.26 -4.25 119.36 114.15 2e5n n ILE 86 Ca 0.05 0.05 0.02 0.00 -0.00 0.00 0.00 62.75 62.87 2e5n n ILE 86 Cb 0.72 -2.24 0.09 0.00 -0.00 0.00 0.00 39.64 38.21 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 -1.00 -1.01 -0.55 4.38 3.32 -1.70 0.31 116.42 120.18 2e5n h ASP 87 Ca -0.18 0.28 0.11 0.00 0.02 0.00 0.00 57.03 57.26 2e5n h ASP 87 Cb 1.00 0.61 -0.11 0.00 0.22 0.00 0.00 39.33 41.06 2e5n h ASP 87 CO -0.11 -0.30 -0.20 0.03 -1.72 0.00 0.00 179.24 176.94 2e5n h ARG 88 N -0.02 -0.07 0.00 3.56 3.08 -1.47 0.68 114.38 120.14 2e5n h ARG 88 Ca 0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 2e5n h ARG 88 Cb 0.64 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2e5n h ARG 88 CO -0.93 -0.05 -0.04 0.07 -1.07 0.00 0.00 179.97 177.96 2e5n h ARG 89 N -0.07 0.00 0.00 0.04 0.11 -0.74 -1.52 114.38 112.20 2e5n h ARG 89 Ca 0.26 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.32 2e5n h ARG 89 Cb 0.47 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 2e5n h ARG 89 CO -0.60 0.04 -0.51 0.77 0.10 0.00 0.00 179.97 179.77 2e5n h SER 90 N 0.00 0.00 0.18 0.08 0.02 0.30 -3.34 113.55 110.78 2e5n h SER 90 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2e5n h SER 90 Cb 0.61 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2e5n h SER 90 CO 0.00 0.07 -2.03 -0.11 -1.14 0.00 0.00 176.83 173.63 2e5n n LEU 91 N -2.93 2.20 0.25 5.07 0.00 0.19 -4.01 117.00 117.76 2e5n n LEU 91 Ca 0.02 0.19 0.12 0.00 0.00 0.00 0.00 56.01 56.34 2e5n n LEU 91 Cb 0.57 -0.75 0.66 0.00 0.00 0.00 0.00 43.42 43.90 2e5n n LEU 91 CO 0.37 0.76 0.97 1.05 0.00 0.00 0.00 177.39 180.54 2e5n h GLU 92 N 0.04 0.00 0.00 1.96 4.11 -1.41 -2.12 114.58 117.16 2e5n h GLU 92 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2e5n h GLU 92 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 2e5n h GLU 92 CO 0.06 0.00 -0.14 1.03 0.07 0.00 0.00 179.01 180.03 2e5n h SER 93 N 0.00 0.00 -0.86 3.06 0.87 -1.70 -3.24 113.55 111.67 2e5n h SER 93 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 2e5n h SER 93 Cb 0.46 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.28 2e5n h SER 93 CO 0.00 0.37 0.21 1.62 -0.53 0.00 0.00 176.83 178.50 2e5n h VAL 94 N -0.61 0.32 0.00 2.23 3.04 -1.61 1.12 116.25 120.74 2e5n h VAL 94 Ca 0.00 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 65.60 2e5n h VAL 94 Cb 0.14 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.53 2e5n h VAL 94 CO 0.00 0.04 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.44 2e5n h LEU 95 N 0.20 0.00 0.02 3.16 3.38 -1.57 0.16 115.31 120.65 2e5n h LEU 95 Ca 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 2e5n h LEU 95 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2e5n h LEU 95 CO -0.65 0.09 -0.11 -1.28 0.09 0.00 0.00 178.44 176.57 2e5n h SER 96 N 0.00 0.06 -0.30 -0.43 0.87 0.11 -1.82 113.55 112.05 2e5n h SER 96 Ca -0.00 -0.99 -0.07 0.00 -1.23 0.00 0.00 61.79 59.50 2e5n h SER 96 Cb 0.19 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2e5n h SER 96 CO 0.01 1.05 -0.03 0.03 -0.53 0.00 0.00 176.83 177.37 2e5n h ARG 97 N -0.92 0.66 0.16 2.24 3.08 -0.73 -3.22 114.38 115.65 2e5n h ARG 97 Ca -0.02 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2e5n h ARG 97 Cb 1.09 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2e5n h ARG 97 CO 0.02 0.70 -0.08 0.87 -1.07 0.00 0.00 179.97 180.41 2e5n h LYS 98 N 0.62 -0.21 -6.26 0.04 1.79 -0.80 -3.41 116.57 108.34 2e5n h LYS 98 Ca 0.12 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 58.05 2e5n h LYS 98 Cb 0.43 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.04 2e5n h LYS 98 CO 0.02 0.19 0.96 -0.51 -1.08 0.00 0.00 179.45 179.04 2e5n s LEU 99 N -8.90 3.39 0.00 2.94 1.43 -0.68 -5.08 118.68 111.77 2e5n s LEU 99 Ca -0.11 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2e5n s LEU 99 Cb 0.00 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.58 2e5n s LEU 99 CO 0.42 -1.71 0.46 0.59 0.23 0.00 0.00 176.35 176.34