#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 4.42 -0.07 1.61 0.01 -1.26 -5.09 113.70 113.32 2e5n s SER 2 Ca 0.00 -1.32 -0.01 0.00 1.31 0.00 0.00 55.95 55.93 2e5n s SER 2 Cb 0.00 -1.57 0.03 0.00 0.21 0.00 0.00 66.02 64.69 2e5n s SER 2 CO 0.00 -0.19 -0.02 -0.44 0.41 0.00 0.00 173.24 173.01 2e5n s SER 3 N 1.14 1.60 0.00 2.44 0.01 -1.26 -4.92 113.70 112.71 2e5n s SER 3 Ca -0.07 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2e5n s SER 3 Cb -0.19 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.53 2e5n s SER 3 CO -0.05 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2e5n n GLY 4 N 4.98 0.00 3.54 3.44 0.00 -1.26 -5.17 105.19 110.73 2e5n n GLY 4 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2e5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5n s SER 5 N 0.00 4.33 1.05 1.61 0.15 -1.26 -5.12 113.70 114.47 2e5n s SER 5 Ca 0.00 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 2e5n s SER 5 Cb 0.00 -0.94 0.19 0.00 -1.71 0.00 0.00 66.02 63.57 2e5n s SER 5 CO 0.00 0.29 0.39 -1.20 1.20 0.00 0.00 173.24 173.93 2e5n n SER 6 N 1.74 -3.12 0.00 5.45 7.64 -1.26 -5.03 113.62 119.04 2e5n n SER 6 Ca -0.16 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2e5n n SER 6 Cb 0.52 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2e5n n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5n n GLY 7 N 2.37 -2.02 3.88 0.23 0.00 -1.26 -5.18 105.19 103.22 2e5n n GLY 7 Ca 0.07 0.97 -0.21 0.00 0.00 0.00 0.00 46.02 46.85 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 0.00 3.32 -0.19 2.61 -4.23 -1.26 -5.02 115.64 110.87 2e5n s THR 8 Ca 0.00 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.16 2e5n s THR 8 Cb 0.00 -3.14 -0.21 0.00 1.34 0.00 0.00 72.50 70.48 2e5n s THR 8 CO 0.00 -0.12 0.06 -0.38 -0.54 0.00 0.00 174.62 173.64 2e5n n ILE 9 N -1.46 1.63 -0.07 2.99 2.08 -1.26 -4.30 119.36 118.97 2e5n n ILE 9 Ca 0.00 -0.59 -0.07 0.00 0.56 0.00 0.00 62.75 62.66 2e5n n ILE 9 Cb 0.60 -1.61 -0.00 0.00 -0.75 0.00 0.00 39.64 37.88 2e5n n ILE 9 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 2e5n h SER 10 N -0.04 -0.06 -0.99 4.38 0.87 -1.95 -1.22 113.55 114.55 2e5n h SER 10 Ca -0.50 0.06 0.25 0.00 -1.23 0.00 0.00 61.79 60.37 2e5n h SER 10 Cb 1.93 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 63.91 2e5n h SER 10 CO -0.02 0.00 0.66 1.56 -0.53 0.00 0.00 176.83 178.51 2e5n h GLN 11 N 0.12 0.29 -7.14 2.24 4.20 -2.01 -3.41 115.11 109.40 2e5n h GLN 11 Ca 0.13 -0.02 -0.50 0.00 0.06 0.00 0.00 58.65 58.33 2e5n h GLN 11 Cb 0.16 -0.07 0.07 0.00 0.30 0.00 0.00 27.48 27.95 2e5n h GLN 11 CO -0.21 0.19 0.40 1.03 -0.67 0.00 0.00 178.83 179.58 2e5n s ARG 12 N -5.34 3.26 0.38 1.46 1.81 -0.46 -5.00 118.95 115.06 2e5n s ARG 12 Ca -0.08 1.44 -0.26 0.00 -1.72 0.00 0.00 55.73 55.11 2e5n s ARG 12 Cb 0.24 -2.01 -0.09 0.00 -0.45 0.00 0.00 34.95 32.64 2e5n s ARG 12 CO 0.79 -0.89 1.20 -1.25 -0.68 0.00 0.00 175.30 174.47 2e5n s PRO 13 N -3.65 4.16 0.08 3.54 0.04 -1.26 -4.91 135.00 133.00 2e5n s PRO 13 Ca 0.69 1.94 -0.22 0.00 0.04 0.00 0.00 61.00 63.44 2e5n s PRO 13 Cb -0.20 -2.81 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 2e5n s PRO 13 CO 0.32 -0.26 1.36 -0.92 0.04 0.00 0.00 177.00 177.54 2e5n h TYR 14 N 2.89 -1.10 -0.65 0.56 3.20 -1.93 -2.03 116.97 117.91 2e5n h TYR 14 Ca -0.49 0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.51 2e5n h TYR 14 Cb 1.23 0.51 -0.09 0.00 1.54 0.00 0.00 36.73 39.92 2e5n h TYR 14 CO 0.55 -0.34 -0.34 -2.13 -1.64 0.00 0.00 178.16 174.27 2e5n n ARG 15 N -4.46 -0.24 -0.10 1.82 0.63 -1.26 0.12 116.66 113.18 2e5n n ARG 15 Ca -0.03 0.99 -0.06 0.00 -0.92 0.00 0.00 57.85 57.83 2e5n n ARG 15 Cb 0.24 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.69 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 -0.58 -0.43 6.15 5.19 -1.77 0.14 116.42 125.12 2e5n h ASP 16 Ca 0.15 0.14 0.08 0.00 -0.62 0.00 0.00 57.03 56.77 2e5n h ASP 16 Cb 0.31 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 2e5n h ASP 16 CO -0.62 -0.21 0.29 0.03 -3.12 0.00 0.00 179.24 175.62 2e5n h ARG 17 N -0.11 0.22 0.31 3.56 3.08 0.14 0.24 114.38 121.82 2e5n h ARG 17 Ca 0.18 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2e5n h ARG 17 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2e5n h ARG 17 CO -0.42 0.15 -0.15 0.28 -1.07 0.00 0.00 179.97 178.76 2e5n h VAL 18 N 0.23 0.14 -0.45 2.04 2.07 0.14 -3.17 116.25 117.25 2e5n h VAL 18 Ca 0.19 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.00 2e5n h VAL 18 Cb 0.48 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2e5n h VAL 18 CO -0.04 0.04 0.23 0.16 0.02 0.00 0.00 177.57 177.98 2e5n h ILE 19 N -1.08 0.97 -0.29 4.57 3.07 -0.68 -0.31 117.51 123.76 2e5n h ILE 19 Ca -0.04 -0.16 0.08 0.00 1.55 0.00 0.00 64.86 66.30 2e5n h ILE 19 Cb 0.38 0.47 -0.01 0.00 -0.27 0.00 0.00 36.82 37.39 2e5n h ILE 19 CO 0.07 0.08 0.42 0.45 -1.05 0.00 0.00 178.15 178.12 2e5n h HIS 20 N 0.45 0.00 0.01 0.16 3.86 -0.64 0.31 115.15 119.30 2e5n h HIS 20 Ca 0.20 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.15 2e5n h HIS 20 Cb 0.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2e5n h HIS 20 CO -0.10 0.00 -1.37 1.28 0.86 0.00 0.00 177.93 178.60 2e5n n LEU 21 N -3.45 1.92 0.26 2.43 4.77 -0.27 -4.18 117.00 118.47 2e5n n LEU 21 Ca 0.05 0.40 0.09 0.00 -0.03 0.00 0.00 56.01 56.52 2e5n n LEU 21 Cb 0.56 -0.97 0.65 0.00 -2.33 0.00 0.00 43.42 41.33 2e5n n LEU 21 CO 0.23 0.33 1.02 -0.07 -1.33 0.00 0.00 177.39 177.57 2e5n h LEU 22 N -0.93 0.00 0.04 2.23 3.38 -0.26 -3.15 115.31 116.63 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 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2e5n h LEU 22 CO -0.20 0.06 -0.12 0.00 0.09 0.00 0.00 178.44 178.27 2e5n h ALA 23 N 1.94 -0.69 -0.92 1.53 0.00 -0.58 -2.47 119.26 118.07 2e5n h ALA 23 Ca -0.00 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.12 2e5n h ALA 23 Cb 0.12 0.52 -0.17 0.00 0.00 0.00 0.00 17.79 18.26 2e5n h ALA 23 CO 0.01 -0.71 0.03 -0.07 0.00 0.00 0.00 179.25 178.50 2e5n h LEU 24 N -0.18 -0.43 -7.59 0.00 3.38 -1.73 -3.44 115.31 105.32 2e5n h LEU 24 Ca -0.00 0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2e5n h LEU 24 Cb 0.18 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 2e5n h LEU 24 CO -0.06 -0.29 0.32 -1.59 0.09 0.00 0.00 178.44 176.92 2e5n s LYS 25 N -6.04 1.42 0.25 1.13 -2.85 -0.93 -5.09 119.74 107.63 2e5n s LYS 25 Ca -0.13 -0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 53.83 2e5n s LYS 25 Cb 0.27 0.53 -0.09 0.00 -2.06 0.00 0.00 37.83 36.47 2e5n s LYS 25 CO 0.77 -0.64 1.27 0.00 0.10 0.00 0.00 175.35 176.85 2e5n s ALA 26 N -3.62 3.49 0.03 0.59 0.00 -1.25 -4.03 121.76 116.98 2e5n s ALA 26 Ca 0.09 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.21 2e5n s ALA 26 Cb -0.03 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2e5n s ALA 26 CO -0.00 -0.50 -0.16 0.71 0.00 0.00 0.00 175.76 175.81 2e5n s TYR 27 N -0.52 1.41 0.27 0.00 1.51 -0.68 -4.87 117.35 114.47 2e5n s TYR 27 Ca 0.52 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 56.12 2e5n s TYR 27 Cb -0.37 -0.85 -0.08 0.00 -0.11 0.00 0.00 41.96 40.55 2e5n s TYR 27 CO 0.43 0.04 0.63 0.15 -1.11 0.00 0.00 175.55 175.69 2e5n s LYS 28 N -0.98 3.88 0.18 -0.62 1.02 -1.26 -1.15 119.74 120.80 2e5n s LYS 28 Ca 0.04 0.43 -0.14 0.00 0.02 0.00 0.00 55.97 56.32 2e5n s LYS 28 Cb -0.08 -2.55 0.17 0.00 -0.52 0.00 0.00 37.83 34.85 2e5n s LYS 28 CO 0.01 0.24 1.21 1.17 -0.92 0.00 0.00 175.35 177.06 2e5n n LYS 29 N -0.27 -0.19 -0.02 1.68 3.00 -1.26 0.62 118.16 121.72 2e5n n LYS 29 Ca 0.02 1.20 -0.13 0.00 -0.00 0.00 0.00 58.31 59.39 2e5n n LYS 29 Cb 0.53 -1.78 -0.10 0.00 0.00 0.00 0.00 35.03 33.68 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 0.38 1.64 0.13 -1.96 -3.18 132.00 129.03 2e5n h PRO 30 Ca 0.26 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.37 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 -0.77 0.50 -0.33 1.49 -0.23 0.00 0.00 178.00 178.66 2e5n h GLU 31 N -0.46 -0.67 -0.93 0.86 4.57 -1.23 -2.33 114.58 114.39 2e5n h GLU 31 Ca 0.00 0.05 0.35 0.00 -1.18 0.00 0.00 59.36 58.57 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 -0.44 0.34 -0.11 -1.18 0.00 0.00 179.01 177.62 2e5n n LEU 32 N -4.38 0.18 0.21 1.64 0.00 0.20 0.51 117.00 115.37 2e5n n LEU 32 Ca -0.08 1.55 -0.15 0.00 0.00 0.00 0.00 56.01 57.33 2e5n n LEU 32 Cb 0.31 -0.69 -0.08 0.00 0.00 0.00 0.00 43.42 42.95 2e5n n LEU 32 CO 0.19 -1.69 0.72 -0.07 0.00 0.00 0.00 177.39 176.54 2e5n h LEU 33 N 0.00 -0.41 -0.86 -1.96 3.38 -1.41 -2.04 115.31 112.01 2e5n h LEU 33 Ca 0.71 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.75 2e5n h LEU 33 Cb 1.78 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2e5n h LEU 33 CO -0.77 -0.25 0.86 0.00 0.09 0.00 0.00 178.44 178.37 2e5n h ALA 34 N 0.08 2.10 0.03 1.53 0.00 0.56 1.87 119.26 125.44 2e5n h ALA 34 Ca -0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 2e5n h ALA 34 Cb 0.41 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2e5n h ALA 34 CO 0.08 -1.00 -1.71 0.00 0.00 0.00 0.00 179.25 176.62 2e5n h ARG 35 N 0.00 0.07 0.00 0.00 2.47 -1.22 -3.37 114.38 112.34 2e5n h ARG 35 Ca 0.13 -0.12 -0.15 0.00 -1.26 0.00 0.00 59.98 58.58 2e5n h ARG 35 Cb 1.84 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 30.19 2e5n h ARG 35 CO -0.00 0.71 -1.04 1.28 0.56 0.00 0.00 179.97 181.47 2e5n n LEU 36 N -3.18 1.85 -0.28 3.04 4.77 0.57 -4.29 117.00 119.47 2e5n n LEU 36 Ca -0.19 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 2e5n n LEU 36 Cb 1.04 -0.92 0.26 0.00 -2.33 0.00 0.00 43.42 41.47 2e5n n LEU 36 CO 0.45 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 177.18 2e5n n GLN 37 N -4.49 -0.06 -0.03 3.23 1.13 0.26 0.71 117.38 118.12 2e5n n GLN 37 Ca -0.24 1.23 -0.10 0.00 -1.94 0.00 0.00 57.00 55.96 2e5n n GLN 37 Cb 0.54 -1.97 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 2e5n n GLN 37 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 2e5n h LYS 38 N 0.00 -0.33 0.00 -1.09 2.10 -1.75 0.11 116.57 115.61 2e5n h LYS 38 Ca 0.51 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 2e5n h LYS 38 Cb 1.07 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2e5n h LYS 38 CO -0.77 -0.22 0.00 -0.44 -2.00 0.00 0.00 179.45 176.02 2e5n h ASP 39 N -0.34 0.00 0.00 7.07 3.32 0.09 -3.47 116.42 123.10 2e5n h ASP 39 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2e5n h ASP 39 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2e5n h ASP 39 CO -0.39 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.74 2e5n n GLY 40 N -0.04 2.69 3.08 2.75 0.00 0.37 -4.90 105.19 109.14 2e5n n GLY 40 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 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 2.07 0.11 1.61 1.01 -1.24 -4.68 120.40 119.28 2e5n s VAL 41 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 2e5n s VAL 41 Cb 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 2e5n s VAL 41 CO 0.00 0.22 1.09 0.21 0.00 0.00 0.00 175.10 176.63 2e5n s ASN 42 N 1.21 7.26 0.21 3.32 3.04 -1.26 -4.83 114.94 123.89 2e5n s ASN 42 Ca -0.02 1.96 -0.20 0.00 0.04 0.00 0.00 52.86 54.64 2e5n s ASN 42 Cb -0.17 -2.59 0.17 0.00 -1.54 0.00 0.00 41.25 37.12 2e5n s ASN 42 CO -0.09 -0.28 1.52 1.67 -3.04 0.00 0.00 177.10 176.88 2e5n n GLN 43 N 3.13 -0.28 -0.30 0.43 7.27 -1.26 0.11 117.38 126.48 2e5n n GLN 43 Ca 0.05 1.51 0.08 0.00 0.07 0.00 0.00 57.00 58.70 2e5n n GLN 43 Cb 0.47 -2.23 0.24 0.00 2.41 0.00 0.00 30.24 31.13 2e5n n GLN 43 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2e5n h LYS 44 N 0.00 0.61 0.00 3.69 2.10 -2.00 0.39 116.57 121.36 2e5n h LYS 44 Ca 0.30 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 2e5n h LYS 44 Cb 0.55 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2e5n h LYS 44 CO -0.96 0.41 0.00 -0.44 -2.00 0.00 0.00 179.45 176.45 2e5n h ASP 45 N 0.63 0.00 0.06 7.07 3.32 0.25 -2.91 116.42 124.84 2e5n h ASP 45 Ca 0.48 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.38 2e5n h ASP 45 Cb 0.69 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.25 2e5n h ASP 45 CO -0.37 0.00 -0.59 0.50 -1.72 0.00 0.00 179.24 177.06 2e5n h LYS 46 N 0.00 0.30 -0.30 3.56 3.64 0.50 -2.65 116.57 121.61 2e5n h LYS 46 Ca 0.00 -0.40 -0.17 0.00 -1.27 0.00 0.00 60.65 58.82 2e5n h LYS 46 Cb 0.80 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2e5n h LYS 46 CO 0.00 1.12 -0.48 -0.97 -2.27 0.00 0.00 179.45 176.86 2e5n h ASN 47 N -0.34 0.90 0.54 4.20 -0.73 -1.11 -2.98 115.58 116.05 2e5n h ASN 47 Ca -0.09 -0.45 -0.06 0.00 1.87 0.00 0.00 56.30 57.57 2e5n h ASN 47 Cb 1.38 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.70 2e5n h ASN 47 CO 0.11 1.23 -0.28 0.28 -0.37 0.00 0.00 177.43 178.40 2e5n h SER 48 N 0.65 0.00 -0.92 1.15 0.02 -1.62 -3.24 113.55 109.58 2e5n h SER 48 Ca 0.03 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 2e5n h SER 48 Cb 1.06 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.48 2e5n h SER 48 CO 0.11 0.28 -0.52 0.25 -1.14 0.00 0.00 176.83 175.81 2e5n h LEU 49 N 0.00 -1.89 -1.41 5.07 6.46 -1.30 0.78 115.31 123.02 2e5n h LEU 49 Ca -0.00 0.31 0.28 0.00 -0.12 0.00 0.00 57.88 58.35 2e5n h LEU 49 Cb 0.63 0.87 -0.09 0.00 -0.73 0.00 0.00 40.66 41.33 2e5n h LEU 49 CO 0.04 -0.27 0.69 1.23 -0.62 0.00 0.00 178.44 179.51 2e5n h GLY 50 N -0.05 1.14 1.10 3.75 0.00 -1.73 0.21 103.07 107.49 2e5n h GLY 50 Ca 0.21 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 2e5n h GLY 50 CO -0.91 -0.15 -0.52 0.00 0.00 0.00 0.00 176.54 174.97 2e5n h ALA 51 N 1.61 0.42 -0.27 3.60 0.00 0.33 -3.22 119.26 121.73 2e5n h ALA 51 Ca 0.61 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2e5n h ALA 51 Cb 1.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2e5n h ALA 51 CO -0.29 0.61 -0.01 0.82 0.00 0.00 0.00 179.25 180.39 2e5n h ILE 52 N 0.58 1.26 -1.05 0.00 2.04 0.67 -2.05 117.51 118.96 2e5n h ILE 52 Ca 0.01 -0.93 0.27 0.00 1.00 0.00 0.00 64.86 65.21 2e5n h ILE 52 Cb 1.12 1.34 -0.10 0.00 -0.74 0.00 0.00 36.82 38.45 2e5n h ILE 52 CO 0.12 0.30 0.67 -0.07 0.00 0.00 0.00 178.15 179.16 2e5n h LEU 53 N 0.25 0.44 0.00 1.44 3.38 -1.01 1.03 115.31 120.84 2e5n h LEU 53 Ca 0.07 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2e5n h LEU 53 Cb 0.43 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2e5n h LEU 53 CO 0.01 0.07 -0.55 -0.61 0.09 0.00 0.00 178.44 177.46 2e5n h GLN 54 N 0.38 0.00 0.00 1.13 4.15 -1.52 1.45 115.11 120.70 2e5n h GLN 54 Ca 0.61 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.95 2e5n h GLN 54 Cb 1.55 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.23 2e5n h GLN 54 CO -0.31 0.00 -1.07 1.96 -1.93 0.00 0.00 178.83 177.48 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 1.08 0.15 -3.39 115.11 114.63 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 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2e5n h GLN 55 CO 0.00 0.17 -0.78 1.33 -0.95 0.00 0.00 178.83 178.60 2e5n n VAL 56 N -2.85 0.00 -4.64 -0.54 0.24 0.21 -5.05 118.33 105.70 2e5n n VAL 56 Ca -0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 2e5n n VAL 56 Cb 0.69 0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 33.07 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 -1.62 3.49 -0.06 2.33 0.00 0.49 0.06 121.76 126.45 2e5n s ALA 57 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2e5n s ALA 57 Cb 0.00 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.50 2e5n s ALA 57 CO 0.00 -0.17 -0.09 -0.80 0.00 0.00 0.00 175.76 174.70 2e5n s ASN 58 N -3.74 1.51 0.10 0.00 0.01 0.14 -3.72 114.94 109.24 2e5n s ASN 58 Ca 0.16 -0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 2e5n s ASN 58 Cb 0.03 -0.69 -0.06 0.00 0.41 0.00 0.00 41.25 40.94 2e5n s ASN 58 CO 0.09 -0.01 1.01 -0.22 -1.51 0.00 0.00 177.10 176.47 2e5n s LEU 59 N 0.82 4.46 -0.57 0.60 0.20 -1.26 -0.25 118.68 122.67 2e5n s LEU 59 Ca -0.12 1.85 -0.03 0.00 0.69 0.00 0.00 54.13 56.52 2e5n s LEU 59 Cb -0.15 -3.59 0.15 0.00 -0.43 0.00 0.00 46.19 42.17 2e5n s LEU 59 CO 0.02 -0.17 0.38 0.21 -0.29 0.00 0.00 176.35 176.50 2e5n s ASN 60 N 0.27 5.22 0.42 3.68 3.84 -0.63 -4.94 114.94 122.80 2e5n s ASN 60 Ca 0.49 -2.68 0.35 0.00 0.21 0.00 0.00 52.86 51.24 2e5n s ASN 60 Cb -0.25 -1.84 1.37 0.00 -0.55 0.00 0.00 41.25 39.98 2e5n s ASN 60 CO 0.30 -0.40 1.32 -1.20 -2.79 0.00 0.00 177.10 174.33 2e5n n SER 61 N 3.72 0.09 -0.01 -4.21 7.64 -1.26 0.19 113.62 119.78 2e5n n SER 61 Ca 0.05 1.01 -0.00 0.00 1.01 0.00 0.00 58.87 60.94 2e5n n SER 61 Cb 0.38 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.00 -0.21 1.43 1.63 -1.95 -3.04 116.57 114.42 2e5n h LYS 62 Ca 0.77 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.57 2e5n h LYS 62 Cb 2.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.45 2e5n h LYS 62 CO -0.20 -0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.55 2e5n n ASP 63 N -2.96 3.12 -3.78 4.20 9.92 -0.41 -4.97 116.55 121.68 2e5n n ASP 63 Ca 0.00 -2.61 -0.29 0.00 -0.53 0.00 0.00 54.79 51.36 2e5n n ASP 63 Cb 0.01 -0.37 0.01 0.00 -0.64 0.00 0.00 41.12 40.13 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2e5n n LEU 64 N -0.37 -2.09 -4.51 0.64 4.77 0.13 -4.95 117.00 110.61 2e5n n LEU 64 Ca 0.15 -0.69 -0.33 0.00 -0.03 0.00 0.00 56.01 55.11 2e5n n LEU 64 Cb 0.64 -2.36 -0.12 0.00 -2.33 0.00 0.00 43.42 39.25 2e5n n LEU 64 CO 0.09 0.33 -0.41 -0.94 -1.33 0.00 0.00 177.39 175.13 2e5n s SER 65 N -3.10 4.39 -0.25 -1.43 1.04 -1.22 -4.62 113.70 108.50 2e5n s SER 65 Ca 0.59 -0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.68 2e5n s SER 65 Cb -0.31 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.61 2e5n s SER 65 CO 0.73 0.31 0.71 -0.31 0.98 0.00 0.00 173.24 175.66 2e5n s TYR 66 N -0.51 3.29 -0.23 5.02 2.02 -0.30 -1.60 117.35 125.04 2e5n s TYR 66 Ca 0.07 0.94 -0.09 0.00 -0.37 0.00 0.00 57.07 57.62 2e5n s TYR 66 Cb -0.12 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.46 2e5n s TYR 66 CO 0.02 -0.36 0.12 0.95 -1.57 0.00 0.00 175.55 174.71 2e5n s THR 67 N 2.65 5.04 0.14 -0.71 -4.23 0.66 -1.69 115.64 117.50 2e5n s THR 67 Ca 0.30 0.07 -0.33 0.00 -1.18 0.00 0.00 61.69 60.54 2e5n s THR 67 Cb -0.15 -3.34 -0.13 0.00 1.34 0.00 0.00 72.50 70.22 2e5n s THR 67 CO 0.08 0.37 1.67 -0.11 -0.54 0.00 0.00 174.62 176.09 2e5n n LEU 68 N 4.21 3.43 0.00 4.79 0.00 -1.26 0.26 117.00 128.43 2e5n n LEU 68 Ca -0.16 1.06 -0.14 0.00 0.00 0.00 0.00 56.01 56.77 2e5n n LEU 68 Cb 0.52 -1.47 0.14 0.00 0.00 0.00 0.00 43.42 42.61 2e5n n LEU 68 CO 0.34 -0.11 0.16 0.29 0.00 0.00 0.00 177.39 178.08 2e5n n LYS 69 N 4.09 -1.59 -0.09 1.96 5.02 0.11 -4.85 118.16 122.80 2e5n n LYS 69 Ca 0.17 -0.69 -0.19 0.00 -2.02 0.00 0.00 58.31 55.59 2e5n n LYS 69 Cb 0.31 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.87 1.98 -0.14 4.39 5.75 -1.26 -4.34 116.55 121.05 2e5n n ASP 70 Ca 0.07 -0.04 -0.11 0.00 -0.01 0.00 0.00 54.79 54.69 2e5n n ASP 70 Cb 0.28 -0.50 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 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 0.91 -0.89 2.11 -0.00 -1.94 -2.87 116.97 114.31 2e5n h TYR 71 Ca -0.54 -0.20 0.23 0.00 -0.00 0.00 0.00 58.73 58.23 2e5n h TYR 71 Cb 1.94 -0.22 -0.05 0.00 -0.00 0.00 0.00 36.73 38.40 2e5n h TYR 71 CO 0.04 0.93 0.62 0.28 -0.00 0.00 0.00 178.16 180.03 2e5n h VAL 72 N 0.63 0.60 -1.06 -0.90 2.07 -1.87 0.81 116.25 116.53 2e5n h VAL 72 Ca 0.10 -0.06 0.29 0.00 0.82 0.00 0.00 66.70 67.86 2e5n h VAL 72 Cb 0.64 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2e5n h VAL 72 CO 0.04 0.03 0.73 -0.26 0.02 0.00 0.00 177.57 178.14 2e5n h PHE 73 N 0.18 0.23 0.00 1.57 0.04 -1.70 0.87 116.94 118.13 2e5n h PHE 73 Ca 0.45 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 61.10 2e5n h PHE 73 Cb 1.46 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.53 2e5n h PHE 73 CO -0.00 0.03 -0.57 1.57 -0.60 0.00 0.00 178.31 178.73 2e5n h LYS 74 N 0.14 0.00 0.00 1.51 2.10 -1.01 -3.02 116.57 116.28 2e5n h LYS 74 Ca 0.53 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.10 2e5n h LYS 74 Cb 1.84 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.16 2e5n h LYS 74 CO -0.10 0.57 -0.39 0.93 -2.00 0.00 0.00 179.45 178.45 2e5n h GLU 75 N 0.00 0.00 -6.23 0.07 5.08 0.66 -3.46 114.58 110.70 2e5n h GLU 75 Ca -0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 2e5n h GLU 75 Cb 1.15 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.60 2e5n h GLU 75 CO 0.07 0.39 -1.28 1.28 -1.00 0.00 0.00 179.01 178.47 2e5n n LEU 76 N -3.34 -2.27 -3.90 1.33 4.77 -0.82 -4.96 117.00 107.81 2e5n n LEU 76 Ca 0.01 -0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.54 2e5n n LEU 76 Cb 0.60 -0.75 -0.14 0.00 -2.33 0.00 0.00 43.42 40.79 2e5n n LEU 76 CO 0.38 -2.89 -0.27 -1.10 -1.33 0.00 0.00 177.39 172.18 2e5n s GLN 77 N -2.97 1.49 0.62 3.23 -1.52 -1.26 -4.96 119.66 114.30 2e5n s GLN 77 Ca 0.42 -2.03 0.22 0.00 -1.95 0.00 0.00 55.36 52.02 2e5n s GLN 77 Cb -0.03 -2.90 0.83 0.00 -0.22 0.00 0.00 33.01 30.69 2e5n s GLN 77 CO 0.54 -1.04 1.34 0.00 -0.25 0.00 0.00 175.29 175.87 2e5n h ARG 78 N 7.15 0.00 -0.91 2.91 2.47 -1.95 1.81 114.38 125.85 2e5n h ARG 78 Ca -0.06 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.10 2e5n h ARG 78 Cb 0.96 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.99 2e5n h ARG 78 CO 0.56 0.00 0.55 -0.25 0.56 0.00 0.00 179.97 181.40 2e5n n ASP 79 N -3.13 5.56 -4.70 7.04 9.92 -1.26 -5.00 116.55 124.99 2e5n n ASP 79 Ca 0.16 -3.73 -0.42 0.00 -0.53 0.00 0.00 54.79 50.27 2e5n n ASP 79 Cb 1.28 -0.84 -0.03 0.00 -0.64 0.00 0.00 41.12 40.89 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2e5n s TRP 80 N -3.57 3.01 -1.50 1.24 -0.11 0.61 -4.88 118.94 113.74 2e5n s TRP 80 Ca 0.59 0.85 0.15 0.00 1.22 0.00 0.00 56.10 58.91 2e5n s TRP 80 Cb 0.48 -3.69 0.76 0.00 -1.50 0.00 0.00 33.47 29.53 2e5n s TRP 80 CO 0.04 -2.50 1.40 -0.35 -4.62 0.00 0.00 176.95 170.91 2e5n n PRO 81 N 4.72 0.24 0.11 5.86 -0.04 -1.26 -2.37 135.00 142.26 2e5n n PRO 81 Ca 0.12 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2e5n n PRO 81 Cb 0.43 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 2e5n n PRO 81 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2e5n h GLY 82 N 2.43 0.00 -7.22 0.55 0.00 -1.97 -3.44 103.07 93.42 2e5n h GLY 82 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 2e5n h GLY 82 CO 0.00 0.00 -0.20 -0.19 0.00 0.00 0.00 176.54 176.15 2e5n s TYR 83 N -3.18 3.25 0.85 5.60 2.02 -1.00 -4.99 117.35 119.89 2e5n s TYR 83 Ca 0.07 0.44 -0.13 0.00 -0.37 0.00 0.00 57.07 57.07 2e5n s TYR 83 Cb 0.11 -2.60 0.19 0.00 -0.40 0.00 0.00 41.96 39.27 2e5n s TYR 83 CO 0.69 -0.24 1.16 0.43 -1.57 0.00 0.00 175.55 176.01 2e5n n SER 84 N 5.37 0.21 -0.02 2.29 7.64 -1.26 -4.45 113.62 123.40 2e5n n SER 84 Ca -0.08 -1.50 0.23 0.00 1.01 0.00 0.00 58.87 58.53 2e5n n SER 84 Cb 0.51 -0.87 0.57 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.00 1.43 4.81 -2.00 -1.80 114.58 117.01 2e5n h GLU 85 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2e5n h GLU 85 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2e5n h GLU 85 CO 0.28 0.00 -0.36 -0.89 -0.73 0.00 0.00 179.01 177.30 2e5n n ILE 86 N -3.37 0.72 -0.29 2.32 2.08 -1.26 -4.26 119.36 115.30 2e5n n ILE 86 Ca 0.14 0.34 -0.04 0.00 0.56 0.00 0.00 62.75 63.75 2e5n n ILE 86 Cb 1.05 -1.93 -0.02 0.00 -0.75 0.00 0.00 39.64 37.98 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 -3.44 -0.61 -0.28 4.38 9.92 -0.97 0.63 116.55 126.19 2e5n n ASP 87 Ca -0.05 1.26 -0.05 0.00 -0.53 0.00 0.00 54.79 55.42 2e5n n ASP 87 Cb 0.19 -0.23 0.01 0.00 -0.64 0.00 0.00 41.12 40.45 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 -0.11 0.00 -1.24 3.08 -1.56 1.35 114.38 115.90 2e5n h ARG 88 Ca 0.18 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2e5n h ARG 88 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2e5n h ARG 88 CO -0.69 -0.07 0.00 0.07 -1.07 0.00 0.00 179.97 178.21 2e5n h ARG 89 N -0.11 0.00 0.00 0.04 0.11 0.02 -1.59 114.38 112.85 2e5n h ARG 89 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2e5n h ARG 89 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2e5n h ARG 89 CO -0.80 0.00 -0.71 0.77 0.10 0.00 0.00 179.97 179.33 2e5n h SER 90 N 0.00 0.00 0.10 0.08 0.02 0.44 -3.36 113.55 110.83 2e5n h SER 90 Ca 0.00 -0.07 -0.37 0.00 -0.84 0.00 0.00 61.79 60.51 2e5n h SER 90 Cb 0.48 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2e5n h SER 90 CO 0.00 0.04 -2.05 -0.11 -1.14 0.00 0.00 176.83 173.57 2e5n n LEU 91 N -2.53 2.66 -0.49 5.07 0.00 0.34 -4.12 117.00 117.93 2e5n n LEU 91 Ca 0.02 0.16 0.43 0.00 0.00 0.00 0.00 56.01 56.62 2e5n n LEU 91 Cb 0.51 -1.08 0.78 0.00 0.00 0.00 0.00 43.42 43.63 2e5n n LEU 91 CO 0.38 0.84 1.40 1.05 0.00 0.00 0.00 177.39 181.06 2e5n h GLU 92 N 0.01 0.00 0.51 1.96 4.11 -1.46 -0.78 114.58 118.93 2e5n h GLU 92 Ca -0.45 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 2e5n h GLU 92 Cb 1.98 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2e5n h GLU 92 CO 0.04 0.00 -0.24 1.03 0.07 0.00 0.00 179.01 179.91 2e5n h SER 93 N 0.00 -0.57 -0.88 3.06 0.87 -1.75 -1.95 113.55 112.33 2e5n h SER 93 Ca 0.73 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 61.39 2e5n h SER 93 Cb 2.91 0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 64.90 2e5n h SER 93 CO -0.01 -0.32 -0.56 0.58 -0.53 0.00 0.00 176.83 175.98 2e5n h VAL 94 N -0.86 0.00 -0.74 2.23 2.07 -1.34 0.86 116.25 118.47 2e5n h VAL 94 Ca -0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.59 2e5n h VAL 94 Cb 0.52 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2e5n h VAL 94 CO 0.11 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 178.13 2e5n h LEU 95 N -0.08 0.42 -0.47 2.57 3.38 -1.60 0.25 115.31 119.78 2e5n h LEU 95 Ca 0.16 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 2e5n h LEU 95 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2e5n h LEU 95 CO -0.88 0.22 -0.34 -1.28 0.09 0.00 0.00 178.44 176.26 2e5n h SER 96 N 0.45 0.94 -0.09 -0.43 0.87 0.14 0.24 113.55 115.66 2e5n h SER 96 Ca 0.36 -0.41 -0.23 0.00 -1.23 0.00 0.00 61.79 60.28 2e5n h SER 96 Cb 0.77 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2e5n h SER 96 CO -0.12 1.19 -0.84 0.03 -0.53 0.00 0.00 176.83 176.56 2e5n h ARG 97 N 0.74 0.73 0.28 2.24 3.08 0.11 -3.37 114.38 118.20 2e5n h ARG 97 Ca 0.07 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.44 2e5n h ARG 97 Cb 0.92 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2e5n h ARG 97 CO 0.08 1.26 -0.13 0.87 -1.07 0.00 0.00 179.97 180.98 2e5n h LYS 98 N 0.43 -0.36 -6.07 0.04 1.79 -0.58 -3.41 116.57 108.42 2e5n h LYS 98 Ca -0.08 0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 57.91 2e5n h LYS 98 Cb 1.48 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 32.17 2e5n h LYS 98 CO 0.17 -0.24 1.28 -0.51 -1.08 0.00 0.00 179.45 179.07 2e5n s LEU 99 N -8.08 3.26 0.00 2.94 1.43 0.84 -5.08 118.68 113.99 2e5n s LEU 99 Ca -0.05 0.14 0.30 0.00 -1.03 0.00 0.00 54.13 53.48 2e5n s LEU 99 Cb 0.01 -2.54 1.45 0.00 0.03 0.00 0.00 46.19 45.14 2e5n s LEU 99 CO 0.16 -2.25 1.97 -3.20 0.23 0.00 0.00 176.35 173.27