#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 4.50 -1.06 1.61 0.15 -1.26 -5.04 113.70 112.60 2e5n s SER 2 Ca 0.00 -1.83 -0.25 0.00 0.70 0.00 0.00 55.95 54.57 2e5n s SER 2 Cb 0.00 -1.46 -0.14 0.00 -1.71 0.00 0.00 66.02 62.71 2e5n s SER 2 CO 0.00 -0.33 2.06 -0.55 1.20 0.00 0.00 173.24 175.62 2e5n s SER 3 N 1.09 4.32 0.00 5.45 0.15 -1.26 -4.86 113.70 118.60 2e5n s SER 3 Ca 0.05 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.63 2e5n s SER 3 Cb -0.19 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2e5n s SER 3 CO -0.10 -3.75 0.00 0.61 1.20 0.00 0.00 173.24 171.21 2e5n n GLY 4 N 6.20 0.58 3.73 9.45 0.00 -1.26 -4.92 105.19 118.97 2e5n n GLY 4 Ca 0.43 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 2e5n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5n s SER 5 N -1.08 6.65 0.04 1.61 1.04 -1.26 -5.02 113.70 115.69 2e5n s SER 5 Ca 0.00 2.60 0.07 0.00 0.48 0.00 0.00 55.95 59.10 2e5n s SER 5 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 2e5n s SER 5 CO 0.00 -0.74 -0.20 -0.94 0.98 0.00 0.00 173.24 172.35 2e5n s SER 6 N 0.73 2.34 -0.15 7.02 1.04 -1.26 -5.14 113.70 118.28 2e5n s SER 6 Ca 0.64 -0.50 -0.34 0.00 0.48 0.00 0.00 55.95 56.23 2e5n s SER 6 Cb -0.42 -0.19 0.13 0.00 0.10 0.00 0.00 66.02 65.64 2e5n s SER 6 CO 0.37 0.15 1.19 -0.83 0.98 0.00 0.00 173.24 175.10 2e5n s GLY 7 N -1.12 -0.32 0.26 7.32 0.00 -1.26 -5.19 107.32 107.01 2e5n s GLY 7 Ca 0.07 1.41 -0.15 0.00 0.00 0.00 0.00 44.72 46.04 2e5n s GLY 7 CO 0.02 0.45 0.56 -0.51 0.00 0.00 0.00 173.10 173.61 2e5n s THR 8 N -2.48 0.00 -0.10 0.90 -4.23 -1.26 -5.07 115.64 103.39 2e5n s THR 8 Ca 0.10 -1.28 -0.16 0.00 -1.18 0.00 0.00 61.69 59.16 2e5n s THR 8 Cb -0.00 -2.16 -0.27 0.00 1.34 0.00 0.00 72.50 71.41 2e5n s THR 8 CO -0.05 0.00 0.57 0.40 -0.54 0.00 0.00 174.62 175.00 2e5n h ILE 9 N 2.17 1.06 -0.39 2.99 1.08 -1.98 -3.37 117.51 119.07 2e5n h ILE 9 Ca -0.24 -2.40 0.07 0.00 -0.39 0.00 0.00 64.86 61.90 2e5n h ILE 9 Cb 1.25 2.73 -0.09 0.00 -3.07 0.00 0.00 36.82 37.65 2e5n h ILE 9 CO 0.32 0.69 -0.44 -1.28 -0.69 0.00 0.00 178.15 176.75 2e5n h SER 10 N -0.34 -1.45 -1.06 1.72 0.87 -1.95 0.14 113.55 111.48 2e5n h SER 10 Ca -0.29 0.22 0.36 0.00 -1.23 0.00 0.00 61.79 60.85 2e5n h SER 10 Cb 1.73 0.63 -0.15 0.00 -0.44 0.00 0.00 62.40 64.17 2e5n h SER 10 CO 0.05 -0.38 0.62 1.56 -0.53 0.00 0.00 176.83 178.16 2e5n h GLN 11 N -0.35 0.21 -7.11 2.24 4.20 -2.00 -3.40 115.11 108.90 2e5n h GLN 11 Ca 0.13 -0.01 -0.51 0.00 0.06 0.00 0.00 58.65 58.31 2e5n h GLN 11 Cb 0.59 -0.05 0.09 0.00 0.30 0.00 0.00 27.48 28.41 2e5n h GLN 11 CO -0.56 0.14 0.43 1.03 -0.67 0.00 0.00 178.83 179.20 2e5n s ARG 12 N -5.56 3.12 0.47 1.46 1.81 0.49 -4.99 118.95 115.76 2e5n s ARG 12 Ca -0.09 1.64 -0.22 0.00 -1.72 0.00 0.00 55.73 55.33 2e5n s ARG 12 Cb 0.31 -1.97 -0.07 0.00 -0.45 0.00 0.00 34.95 32.76 2e5n s ARG 12 CO 0.79 -1.04 1.16 -1.25 -0.68 0.00 0.00 175.30 174.28 2e5n s PRO 13 N -3.44 3.71 0.07 3.54 0.04 -1.26 -4.91 135.00 132.75 2e5n s PRO 13 Ca 0.73 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 2e5n s PRO 13 Cb -0.25 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 2e5n s PRO 13 CO 0.31 -0.59 1.36 -0.92 0.04 0.00 0.00 177.00 177.20 2e5n h TYR 14 N 1.94 -1.02 -0.69 0.56 3.20 -1.93 -2.39 116.97 116.63 2e5n h TYR 14 Ca -0.49 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.49 2e5n h TYR 14 Cb 1.25 0.45 -0.10 0.00 1.54 0.00 0.00 36.73 39.87 2e5n h TYR 14 CO 0.53 -0.37 -0.34 -2.13 -1.64 0.00 0.00 178.16 174.21 2e5n n ARG 15 N -4.41 -0.23 -0.03 1.82 0.63 -1.26 0.65 116.66 113.82 2e5n n ARG 15 Ca -0.05 1.06 -0.10 0.00 -0.92 0.00 0.00 57.85 57.84 2e5n n ARG 15 Cb 0.26 -1.56 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 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 -1.03 -0.63 6.15 5.19 -1.83 0.13 116.42 124.41 2e5n h ASP 16 Ca 0.18 0.16 0.16 0.00 -0.62 0.00 0.00 57.03 56.90 2e5n h ASP 16 Cb 0.35 0.45 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 2e5n h ASP 16 CO -0.67 -0.35 0.44 0.03 -3.12 0.00 0.00 179.24 175.57 2e5n h ARG 17 N -0.36 0.14 0.45 3.56 3.08 0.65 0.24 114.38 122.14 2e5n h ARG 17 Ca 0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2e5n h ARG 17 Cb 0.54 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2e5n h ARG 17 CO -0.40 0.09 -0.22 0.28 -1.07 0.00 0.00 179.97 178.65 2e5n h VAL 18 N 0.15 0.00 -0.93 2.04 2.07 0.12 -3.07 116.25 116.63 2e5n h VAL 18 Ca 0.30 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2e5n h VAL 18 Cb 0.98 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2e5n h VAL 18 CO -0.04 0.00 0.60 0.16 0.02 0.00 0.00 177.57 178.31 2e5n h ILE 19 N -1.16 1.12 -0.13 4.57 3.07 -0.69 -0.14 117.51 124.16 2e5n h ILE 19 Ca -0.06 -0.39 0.04 0.00 1.55 0.00 0.00 64.86 66.00 2e5n h ILE 19 Cb 0.46 -0.11 -0.01 0.00 -0.27 0.00 0.00 36.82 36.90 2e5n h ILE 19 CO 0.10 0.21 0.17 0.45 -1.05 0.00 0.00 178.15 178.03 2e5n h HIS 20 N 1.13 0.00 0.05 0.16 3.86 -0.63 0.21 115.15 119.94 2e5n h HIS 20 Ca 0.38 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.30 2e5n h HIS 20 Cb 0.07 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 2e5n h HIS 20 CO -0.01 0.00 -1.61 1.28 0.86 0.00 0.00 177.93 178.45 2e5n n LEU 21 N -3.63 2.20 -0.00 2.43 4.77 -0.19 -4.21 117.00 118.36 2e5n n LEU 21 Ca 0.00 0.33 0.01 0.00 -0.03 0.00 0.00 56.01 56.32 2e5n n LEU 21 Cb 0.28 -1.03 0.33 0.00 -2.33 0.00 0.00 43.42 40.67 2e5n n LEU 21 CO 0.25 0.53 0.99 -0.07 -1.33 0.00 0.00 177.39 177.77 2e5n h LEU 22 N -0.54 0.49 -0.22 2.23 3.38 -0.64 -3.16 115.31 116.84 2e5n h LEU 22 Ca -0.39 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2e5n h LEU 22 Cb 1.62 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 2e5n h LEU 22 CO -0.09 0.51 -0.38 0.00 0.09 0.00 0.00 178.44 178.57 2e5n h ALA 23 N 1.56 -0.67 -0.75 1.53 0.00 -0.78 -1.50 119.26 118.64 2e5n h ALA 23 Ca 0.12 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.17 2e5n h ALA 23 Cb 0.23 0.96 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2e5n h ALA 23 CO -0.00 -0.84 -0.17 -0.07 0.00 0.00 0.00 179.25 178.17 2e5n h LEU 24 N -0.32 -0.67 -7.90 0.00 3.38 -1.73 -3.45 115.31 104.62 2e5n h LEU 24 Ca 0.04 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.33 2e5n h LEU 24 Cb 0.43 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 2e5n h LEU 24 CO -0.37 -0.24 0.34 -1.59 0.09 0.00 0.00 178.44 176.67 2e5n s LYS 25 N -6.23 1.66 0.18 1.13 -2.85 -0.57 -5.04 119.74 108.02 2e5n s LYS 25 Ca -0.14 -0.96 -0.30 0.00 -1.00 0.00 0.00 55.97 53.56 2e5n s LYS 25 Cb 0.22 0.53 -0.08 0.00 -2.06 0.00 0.00 37.83 36.44 2e5n s LYS 25 CO 0.75 -0.76 1.28 0.00 0.10 0.00 0.00 175.35 176.72 2e5n s ALA 26 N -3.29 3.50 -0.01 0.59 0.00 -1.25 -4.09 121.76 117.20 2e5n s ALA 26 Ca 0.13 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.20 2e5n s ALA 26 Cb -0.04 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2e5n s ALA 26 CO 0.06 -0.50 -0.17 0.71 0.00 0.00 0.00 175.76 175.86 2e5n s TYR 27 N 0.19 1.56 0.39 0.00 1.51 -0.50 -4.85 117.35 115.65 2e5n s TYR 27 Ca 0.56 -0.29 -0.15 0.00 -1.01 0.00 0.00 57.07 56.18 2e5n s TYR 27 Cb -0.35 -1.00 -0.09 0.00 -0.11 0.00 0.00 41.96 40.41 2e5n s TYR 27 CO 0.37 -0.03 0.82 0.15 -1.11 0.00 0.00 175.55 175.75 2e5n s LYS 28 N -0.41 3.99 0.18 -0.62 1.02 -1.26 -1.74 119.74 120.89 2e5n s LYS 28 Ca 0.07 0.75 -0.17 0.00 0.02 0.00 0.00 55.97 56.64 2e5n s LYS 28 Cb -0.07 -2.33 0.14 0.00 -0.52 0.00 0.00 37.83 35.05 2e5n s LYS 28 CO -0.01 0.01 1.28 1.17 -0.92 0.00 0.00 175.35 176.89 2e5n n LYS 29 N -0.81 -0.23 -0.02 1.68 3.00 -1.26 0.40 118.16 120.92 2e5n n LYS 29 Ca 0.04 1.27 -0.13 0.00 -0.00 0.00 0.00 58.31 59.49 2e5n n LYS 29 Cb 0.54 -1.88 -0.10 0.00 0.00 0.00 0.00 35.03 33.59 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 0.21 1.64 0.13 -1.97 -3.22 132.00 128.82 2e5n h PRO 30 Ca 0.25 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2e5n h PRO 30 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 2e5n h PRO 30 CO -0.81 0.51 -0.32 1.49 -0.23 0.00 0.00 178.00 178.64 2e5n h GLU 31 N -0.46 -0.53 -0.85 0.86 4.81 -1.38 -2.34 114.58 114.68 2e5n h GLU 31 Ca 0.00 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.49 2e5n h GLU 31 Cb 0.50 0.12 -0.16 0.00 0.63 0.00 0.00 28.75 29.84 2e5n h GLU 31 CO 0.00 -0.36 -0.05 -0.11 -0.73 0.00 0.00 179.01 177.77 2e5n n LEU 32 N -4.27 -0.16 0.24 1.64 0.00 0.16 0.13 117.00 114.75 2e5n n LEU 32 Ca -0.06 1.45 -0.16 0.00 0.00 0.00 0.00 56.01 57.23 2e5n n LEU 32 Cb 0.27 -0.50 -0.08 0.00 0.00 0.00 0.00 43.42 43.10 2e5n n LEU 32 CO 0.13 -1.45 0.59 -0.07 0.00 0.00 0.00 177.39 176.59 2e5n h LEU 33 N 0.00 -1.15 -0.69 -1.96 3.38 -1.44 -2.17 115.31 111.29 2e5n h LEU 33 Ca 0.49 0.10 0.26 0.00 0.09 0.00 0.00 57.88 58.82 2e5n h LEU 33 Cb 0.94 0.39 -0.12 0.00 0.09 0.00 0.00 40.66 41.96 2e5n h LEU 33 CO -0.82 -0.56 0.28 0.00 0.09 0.00 0.00 178.44 177.43 2e5n n ALA 34 N -2.74 0.62 -0.06 1.53 0.00 0.12 0.24 120.51 120.21 2e5n n ALA 34 Ca -0.10 0.71 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 2e5n n ALA 34 Cb 0.40 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 0.39 0.27 0.00 2.47 -1.31 -3.00 114.38 113.20 2e5n h ARG 35 Ca 0.54 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 2e5n h ARG 35 Cb 1.38 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 2e5n h ARG 35 CO -0.56 0.71 -0.13 -0.07 0.56 0.00 0.00 179.97 180.48 2e5n h LEU 36 N 0.07 -0.31 -1.51 3.04 3.38 0.32 -3.25 115.31 117.04 2e5n h LEU 36 Ca 0.04 -0.07 0.49 0.00 0.09 0.00 0.00 57.88 58.43 2e5n h LEU 36 Cb 0.61 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.32 2e5n h LEU 36 CO 0.03 0.17 1.02 0.00 0.09 0.00 0.00 178.44 179.74 2e5n n GLN 37 N -5.02 -0.02 -0.15 1.13 1.13 0.25 0.47 117.38 115.15 2e5n n GLN 37 Ca -0.06 1.17 -0.03 0.00 -1.94 0.00 0.00 57.00 56.14 2e5n n GLN 37 Cb 0.19 -2.42 0.03 0.00 0.11 0.00 0.00 30.24 28.15 2e5n n GLN 37 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2e5n h LYS 38 N 0.00 -0.04 0.00 -1.09 1.57 -1.56 -1.44 116.57 114.01 2e5n h LYS 38 Ca 0.88 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.46 2e5n h LYS 38 Cb 3.03 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 35.32 2e5n h LYS 38 CO -0.33 -0.03 -1.02 -0.44 -0.57 0.00 0.00 179.45 177.07 2e5n h ASP 39 N -0.04 0.00 0.00 0.86 3.32 -0.15 -3.49 116.42 116.92 2e5n h ASP 39 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2e5n h ASP 39 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2e5n h ASP 39 CO -0.53 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 178.48 2e5n n GLY 40 N 1.35 3.48 3.06 2.75 0.00 -0.54 -5.02 105.19 110.27 2e5n n GLY 40 Ca -0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 1.46 0.60 1.61 1.01 -1.26 -4.67 120.40 119.16 2e5n s VAL 41 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2e5n s VAL 41 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2e5n s VAL 41 CO 0.00 0.43 1.11 0.20 0.00 0.00 0.00 175.10 176.84 2e5n s ASN 42 N 0.91 5.47 0.03 3.32 0.01 -1.26 -4.90 114.94 118.52 2e5n s ASN 42 Ca -0.08 2.06 -0.23 0.00 -0.71 0.00 0.00 52.86 53.90 2e5n s ASN 42 Cb -0.15 -2.56 -0.16 0.00 0.41 0.00 0.00 41.25 38.79 2e5n s ASN 42 CO -0.00 -1.39 1.38 -0.61 -1.51 0.00 0.00 177.10 174.98 2e5n h GLN 43 N 0.62 0.19 -0.02 -0.60 4.15 -2.00 -0.27 115.11 117.19 2e5n h GLN 43 Ca -0.48 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.86 2e5n h GLN 43 Cb 1.25 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 2e5n h GLN 43 CO 0.56 0.54 0.03 1.57 -1.93 0.00 0.00 178.83 179.59 2e5n h LYS 44 N -0.16 0.00 0.02 1.69 2.10 -2.02 -1.27 116.57 116.92 2e5n h LYS 44 Ca 0.02 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.38 2e5n h LYS 44 Cb 0.48 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.77 2e5n h LYS 44 CO 0.01 0.00 -1.67 -0.44 -2.00 0.00 0.00 179.45 175.35 2e5n h ASP 45 N 0.00 0.07 -0.39 7.07 5.19 -1.89 -3.28 116.42 123.19 2e5n h ASP 45 Ca 0.01 -0.14 0.07 0.00 -0.62 0.00 0.00 57.03 56.35 2e5n h ASP 45 Cb 0.06 -0.02 -0.09 0.00 0.18 0.00 0.00 39.33 39.46 2e5n h ASP 45 CO -0.00 1.12 -0.42 0.11 -3.12 0.00 0.00 179.24 176.93 2e5n h LYS 46 N 0.01 -0.32 -0.47 3.56 1.57 0.20 0.37 116.57 121.49 2e5n h LYS 46 Ca -0.27 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 2e5n h LYS 46 Cb 2.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.37 2e5n h LYS 46 CO 0.09 -0.21 -0.19 -0.97 -0.57 0.00 0.00 179.45 177.60 2e5n h ASN 47 N -0.33 0.97 -0.06 0.86 -0.73 -1.74 -2.77 115.58 111.78 2e5n h ASN 47 Ca 0.14 -0.39 0.02 0.00 1.87 0.00 0.00 56.30 57.94 2e5n h ASN 47 Cb 0.58 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.90 2e5n h ASN 47 CO -0.56 1.14 0.06 0.28 -0.37 0.00 0.00 177.43 177.98 2e5n h SER 48 N 0.79 0.00 0.04 1.15 0.02 -1.33 -2.84 113.55 111.39 2e5n h SER 48 Ca 0.11 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2e5n h SER 48 Cb 0.76 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 2e5n h SER 48 CO 0.06 0.00 -0.48 0.25 -1.14 0.00 0.00 176.83 175.52 2e5n h LEU 49 N 0.00 -1.46 -1.61 5.07 6.46 -0.00 -0.39 115.31 123.37 2e5n h LEU 49 Ca 0.03 0.17 0.47 0.00 -0.12 0.00 0.00 57.88 58.43 2e5n h LEU 49 Cb 0.16 0.56 -0.11 0.00 -0.73 0.00 0.00 40.66 40.53 2e5n h LEU 49 CO -0.00 -0.51 1.02 1.23 -0.62 0.00 0.00 178.44 179.56 2e5n h GLY 50 N -0.66 0.86 0.36 3.75 0.00 -1.65 0.39 103.07 106.11 2e5n h GLY 50 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2e5n h GLY 50 CO -0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 176.54 175.92 2e5n h ALA 51 N 1.42 0.01 -0.77 3.60 0.00 -1.24 -3.23 119.26 119.05 2e5n h ALA 51 Ca 0.85 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 55.49 2e5n h ALA 51 Cb 2.93 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 20.65 2e5n h ALA 51 CO -0.28 -0.13 0.43 0.82 0.00 0.00 0.00 179.25 180.09 2e5n h ILE 52 N -0.62 0.92 -0.93 0.00 2.04 0.28 -0.79 117.51 118.41 2e5n h ILE 52 Ca -0.00 -0.26 0.16 0.00 1.00 0.00 0.00 64.86 65.76 2e5n h ILE 52 Cb 0.70 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 2e5n h ILE 52 CO 0.01 0.14 0.60 -0.07 0.00 0.00 0.00 178.15 178.82 2e5n h LEU 53 N 0.75 0.69 0.00 1.44 3.38 -1.26 0.57 115.31 120.88 2e5n h LEU 53 Ca 0.36 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2e5n h LEU 53 Cb 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2e5n h LEU 53 CO -0.23 0.33 -0.31 1.67 0.09 0.00 0.00 178.44 179.99 2e5n n GLN 54 N -4.60 0.09 0.01 1.13 7.27 -0.43 0.16 117.38 121.01 2e5n n GLN 54 Ca 0.19 0.04 0.04 0.00 0.07 0.00 0.00 57.00 57.34 2e5n n GLN 54 Cb 0.50 -1.57 -0.11 0.00 2.41 0.00 0.00 30.24 31.47 2e5n n GLN 54 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2e5n n GLN 55 N -1.71 0.64 0.00 3.69 6.02 0.13 -4.53 117.38 121.62 2e5n n GLN 55 Ca 0.06 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2e5n n GLN 55 Cb 0.37 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2e5n n GLN 55 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2e5n n VAL 56 N -2.64 0.00 -4.64 5.09 0.24 0.15 -5.05 118.33 111.48 2e5n n VAL 56 Ca -0.10 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.91 2e5n n VAL 56 Cb 0.76 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.70 3.48 -0.06 2.33 0.00 0.41 0.16 121.76 126.39 2e5n s ALA 57 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2e5n s ALA 57 Cb 0.00 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2e5n s ALA 57 CO 0.00 -0.16 -0.13 -0.80 0.00 0.00 0.00 175.76 174.66 2e5n s ASN 58 N -3.74 1.87 0.11 0.00 0.01 0.12 -3.76 114.94 109.56 2e5n s ASN 58 Ca 0.17 -0.31 -0.30 0.00 -0.71 0.00 0.00 52.86 51.70 2e5n s ASN 58 Cb 0.03 -0.79 -0.06 0.00 0.41 0.00 0.00 41.25 40.84 2e5n s ASN 58 CO 0.09 0.06 0.99 -0.22 -1.51 0.00 0.00 177.10 176.51 2e5n s LEU 59 N 0.51 4.49 -0.77 0.60 0.20 -1.26 -0.26 118.68 122.19 2e5n s LEU 59 Ca -0.12 1.83 -0.04 0.00 0.69 0.00 0.00 54.13 56.48 2e5n s LEU 59 Cb -0.15 -3.59 0.19 0.00 -0.43 0.00 0.00 46.19 42.22 2e5n s LEU 59 CO 0.04 -0.11 0.63 0.21 -0.29 0.00 0.00 176.35 176.83 2e5n s ASN 60 N 0.06 5.78 0.47 3.68 3.84 -0.16 -4.92 114.94 123.70 2e5n s ASN 60 Ca 0.48 -3.18 0.42 0.00 0.21 0.00 0.00 52.86 50.79 2e5n s ASN 60 Cb -0.24 -1.93 1.47 0.00 -0.55 0.00 0.00 41.25 40.00 2e5n s ASN 60 CO 0.30 -0.32 1.33 -1.20 -2.79 0.00 0.00 177.10 174.42 2e5n n SER 61 N 3.10 0.01 0.11 -4.21 7.64 -1.26 0.12 113.62 119.12 2e5n n SER 61 Ca 0.14 0.87 -0.16 0.00 1.01 0.00 0.00 58.87 60.73 2e5n n SER 61 Cb 0.39 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.71 -0.16 1.43 1.63 -1.95 -3.17 116.57 113.64 2e5n h LYS 62 Ca 0.80 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.65 2e5n h LYS 62 Cb 3.19 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 34.98 2e5n h LYS 62 CO -0.03 -0.47 0.00 -0.25 -3.45 0.00 0.00 179.45 175.24 2e5n n ASP 63 N -5.48 2.60 -1.92 4.20 8.00 0.96 -4.96 116.55 119.94 2e5n n ASP 63 Ca -0.08 -2.23 -0.13 0.00 0.71 0.00 0.00 54.79 53.06 2e5n n ASP 63 Cb 0.41 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e5n n LEU 64 N -0.22 -1.09 -4.83 0.64 4.77 0.32 -4.93 117.00 111.67 2e5n n LEU 64 Ca 0.08 0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 55.96 2e5n n LEU 64 Cb 0.43 -2.11 -0.07 0.00 -2.33 0.00 0.00 43.42 39.35 2e5n n LEU 64 CO 0.05 -0.41 -0.21 -0.94 -1.33 0.00 0.00 177.39 174.55 2e5n s SER 65 N -2.07 6.06 -0.16 -1.43 1.04 -1.22 -4.61 113.70 111.31 2e5n s SER 65 Ca 0.00 0.36 -0.18 0.00 0.48 0.00 0.00 55.95 56.60 2e5n s SER 65 Cb 0.00 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 2e5n s SER 65 CO 0.00 0.38 0.50 -0.31 0.98 0.00 0.00 173.24 174.78 2e5n s TYR 66 N -1.04 3.45 -0.19 5.02 2.02 -0.71 -0.99 117.35 124.91 2e5n s TYR 66 Ca 0.16 0.83 -0.04 0.00 -0.37 0.00 0.00 57.07 57.66 2e5n s TYR 66 Cb -0.12 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 2e5n s TYR 66 CO 0.06 0.04 -0.04 0.95 -1.57 0.00 0.00 175.55 174.99 2e5n s THR 67 N 1.10 3.65 0.13 -0.71 -4.23 0.64 -1.40 115.64 114.81 2e5n s THR 67 Ca 0.25 -0.42 -0.35 0.00 -1.18 0.00 0.00 61.69 59.99 2e5n s THR 67 Cb -0.15 -2.63 -0.14 0.00 1.34 0.00 0.00 72.50 70.92 2e5n s THR 67 CO 0.10 0.45 1.54 -0.11 -0.54 0.00 0.00 174.62 176.06 2e5n n LEU 68 N 4.17 2.78 0.00 4.79 0.00 -1.26 0.16 117.00 127.65 2e5n n LEU 68 Ca -0.18 1.09 -0.09 0.00 0.00 0.00 0.00 56.01 56.83 2e5n n LEU 68 Cb 0.52 -1.37 0.09 0.00 0.00 0.00 0.00 43.42 42.66 2e5n n LEU 68 CO 0.31 -0.45 0.11 0.29 0.00 0.00 0.00 177.39 177.65 2e5n n LYS 69 N 3.38 -1.15 -0.10 1.96 5.02 0.12 -4.83 118.16 122.56 2e5n n LYS 69 Ca 0.18 -0.44 -0.20 0.00 -2.02 0.00 0.00 58.31 55.82 2e5n n LYS 69 Cb 0.26 -0.81 -0.12 0.00 -0.02 0.00 0.00 35.03 34.34 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 -1.86 2.01 -0.07 4.39 5.75 -1.26 -4.37 116.55 121.13 2e5n n ASP 70 Ca 0.04 -0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.70 2e5n n ASP 70 Cb 0.18 -0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.09 0.51 -1.21 2.11 -0.00 -1.94 -2.96 116.97 113.38 2e5n h TYR 71 Ca -0.55 -0.12 0.35 0.00 -0.00 0.00 0.00 58.73 58.40 2e5n h TYR 71 Cb 1.89 -0.12 -0.07 0.00 -0.00 0.00 0.00 36.73 38.43 2e5n h TYR 71 CO 0.03 0.72 0.84 0.28 -0.00 0.00 0.00 178.16 180.03 2e5n h VAL 72 N 0.15 0.39 -1.02 -0.90 2.07 -1.86 0.31 116.25 115.38 2e5n h VAL 72 Ca 0.05 -0.04 0.27 0.00 0.82 0.00 0.00 66.70 67.80 2e5n h VAL 72 Cb 0.58 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 2e5n h VAL 72 CO 0.03 0.02 0.69 -0.26 0.02 0.00 0.00 177.57 178.07 2e5n h PHE 73 N 0.12 0.39 0.00 1.57 0.04 -1.72 0.70 116.94 118.05 2e5n h PHE 73 Ca 0.62 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 61.28 2e5n h PHE 73 Cb 2.18 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 40.19 2e5n h PHE 73 CO -0.00 0.05 -0.60 1.57 -0.60 0.00 0.00 178.31 178.73 2e5n h LYS 74 N 0.25 0.00 0.00 1.51 2.10 -0.57 -3.02 116.57 116.85 2e5n h LYS 74 Ca 0.54 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.06 2e5n h LYS 74 Cb 1.63 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.94 2e5n h LYS 74 CO -0.17 0.60 -0.62 0.93 -2.00 0.00 0.00 179.45 178.20 2e5n h GLU 75 N 0.00 0.00 -6.36 0.07 5.08 0.31 -3.46 114.58 110.22 2e5n h GLU 75 Ca -0.01 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2e5n h GLU 75 Cb 1.11 0.00 0.24 0.00 0.50 0.00 0.00 28.75 30.60 2e5n h GLU 75 CO 0.08 0.62 -1.73 1.28 -1.00 0.00 0.00 179.01 178.26 2e5n n LEU 76 N -3.63 -2.77 -4.08 1.33 4.77 -0.76 -4.97 117.00 106.89 2e5n n LEU 76 Ca -0.01 0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2e5n n LEU 76 Cb 0.65 -0.79 -0.16 0.00 -2.33 0.00 0.00 43.42 40.79 2e5n n LEU 76 CO 0.42 -3.27 -0.49 -1.10 -1.33 0.00 0.00 177.39 171.61 2e5n s GLN 77 N -2.77 2.57 0.54 3.23 -1.52 -1.26 -4.99 119.66 115.46 2e5n s GLN 77 Ca 0.47 -0.99 0.21 0.00 -1.95 0.00 0.00 55.36 53.10 2e5n s GLN 77 Cb -0.05 -2.63 1.41 0.00 -0.22 0.00 0.00 33.01 31.53 2e5n s GLN 77 CO 0.68 -0.36 2.14 0.00 -0.25 0.00 0.00 175.29 177.50 2e5n h ARG 78 N 7.90 0.00 -1.07 2.91 2.47 -1.97 -0.79 114.38 123.82 2e5n h ARG 78 Ca -0.34 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 57.92 2e5n h ARG 78 Cb 1.10 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.18 2e5n h ARG 78 CO 0.55 0.00 0.58 -0.25 0.56 0.00 0.00 179.97 181.42 2e5n n ASP 79 N -4.34 4.85 -4.67 7.04 8.00 -1.26 -4.95 116.55 121.22 2e5n n ASP 79 Ca -0.00 -3.36 -0.42 0.00 0.71 0.00 0.00 54.79 51.71 2e5n n ASP 79 Cb 0.20 -0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 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 -2.76 2.83 -1.44 1.24 -0.11 -0.31 -4.89 118.94 113.51 2e5n s TRP 80 Ca 0.47 0.91 0.15 0.00 1.22 0.00 0.00 56.10 58.86 2e5n s TRP 80 Cb 0.39 -3.57 0.75 0.00 -1.50 0.00 0.00 33.47 29.54 2e5n s TRP 80 CO 0.05 -2.05 1.41 -0.35 -4.62 0.00 0.00 176.95 171.39 2e5n n PRO 81 N 5.98 0.21 0.18 5.86 -0.04 -1.26 -2.43 135.00 143.50 2e5n n PRO 81 Ca 0.13 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2e5n n PRO 81 Cb 0.45 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.45 0.00 -6.79 0.55 0.00 -1.97 -3.43 103.07 93.88 2e5n h GLY 82 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 2e5n h GLY 82 CO 0.00 0.00 0.25 -0.19 0.00 0.00 0.00 176.54 176.60 2e5n s TYR 83 N -3.24 3.13 1.12 5.60 2.02 -1.02 -5.00 117.35 119.97 2e5n s TYR 83 Ca 0.06 0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.99 2e5n s TYR 83 Cb 0.07 -3.27 0.26 0.00 -0.40 0.00 0.00 41.96 38.62 2e5n s TYR 83 CO 0.69 -0.69 1.21 -1.12 -1.57 0.00 0.00 175.55 174.07 2e5n s SER 84 N 1.83 1.65 0.64 2.29 0.01 -1.26 -4.40 113.70 114.46 2e5n s SER 84 Ca 0.27 0.40 0.17 0.00 1.31 0.00 0.00 55.95 58.10 2e5n s SER 84 Cb -0.14 -0.49 0.93 0.00 0.21 0.00 0.00 66.02 66.54 2e5n s SER 84 CO 0.16 -3.65 1.52 -0.08 0.41 0.00 0.00 173.24 171.59 2e5n h GLU 85 N -2.27 0.00 0.00 12.44 4.81 -1.99 -2.13 114.58 125.44 2e5n h GLU 85 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2e5n h GLU 85 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2e5n h GLU 85 CO 0.32 0.00 -0.25 -0.89 -0.73 0.00 0.00 179.01 177.46 2e5n n ILE 86 N -2.68 0.44 -0.28 2.32 2.08 -1.26 -4.28 119.36 115.70 2e5n n ILE 86 Ca -0.01 0.40 -0.03 0.00 0.56 0.00 0.00 62.75 63.67 2e5n n ILE 86 Cb 0.62 -1.76 -0.01 0.00 -0.75 0.00 0.00 39.64 37.75 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 -3.04 -0.56 -0.25 4.38 9.92 -0.99 0.79 116.55 126.78 2e5n n ASP 87 Ca -0.03 1.24 -0.04 0.00 -0.53 0.00 0.00 54.79 55.43 2e5n n ASP 87 Cb 0.13 -0.24 0.02 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.60 1.46 114.38 115.97 2e5n h ARG 88 Ca 0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2e5n h ARG 88 Cb 0.37 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 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 -0.12 0.00 0.00 0.04 0.11 0.19 -0.72 114.38 113.89 2e5n h ARG 89 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 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 -0.77 0.00 -0.84 0.77 0.10 0.00 0.00 179.97 179.23 2e5n h SER 90 N 0.00 0.00 0.00 0.08 0.02 0.39 -3.39 113.55 110.65 2e5n h SER 90 Ca 0.00 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 2e5n h SER 90 Cb 0.48 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 2e5n h SER 90 CO 0.00 0.01 -1.46 -0.11 -1.14 0.00 0.00 176.83 174.13 2e5n n LEU 91 N -2.70 1.88 -0.23 5.07 0.00 0.41 -4.04 117.00 117.39 2e5n n LEU 91 Ca 0.01 0.42 0.12 0.00 0.00 0.00 0.00 56.01 56.56 2e5n n LEU 91 Cb 0.54 -0.92 0.24 0.00 0.00 0.00 0.00 43.42 43.27 2e5n n LEU 91 CO 0.39 0.27 0.57 -1.84 0.00 0.00 0.00 177.39 176.77 2e5n n GLU 92 N -4.41 -0.05 0.31 1.96 -0.00 -0.32 0.09 120.64 118.22 2e5n n GLU 92 Ca -0.34 0.98 -0.13 0.00 -0.00 0.00 0.00 57.16 57.67 2e5n n GLU 92 Cb 0.69 -1.60 -0.06 0.00 -0.00 0.00 0.00 31.44 30.47 2e5n n GLU 92 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2e5n h SER 93 N 0.00 -0.69 -0.69 -1.84 0.87 -1.75 -3.16 113.55 106.28 2e5n h SER 93 Ca 0.44 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 61.09 2e5n h SER 93 Cb 0.98 0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 63.03 2e5n h SER 93 CO -0.60 -0.38 -0.41 0.52 -0.53 0.00 0.00 176.83 175.42 2e5n n VAL 94 N -4.81 -0.47 -0.32 2.23 0.31 0.11 0.20 118.33 115.58 2e5n n VAL 94 Ca -0.10 1.71 0.18 0.00 -0.01 0.00 0.00 64.34 66.12 2e5n n VAL 94 Cb 0.32 -2.12 0.38 0.00 -0.91 0.00 0.00 33.84 31.52 2e5n n VAL 94 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2e5n h LEU 95 N 0.00 0.39 -0.02 7.52 3.38 -1.51 0.19 115.31 125.25 2e5n h LEU 95 Ca 0.11 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2e5n h LEU 95 Cb 0.28 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2e5n h LEU 95 CO -0.65 -0.07 -0.07 -1.28 0.09 0.00 0.00 178.44 176.46 2e5n h SER 96 N 0.36 0.09 -0.68 -0.43 0.87 0.24 0.29 113.55 114.29 2e5n h SER 96 Ca 0.64 -0.63 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 2e5n h SER 96 Cb 1.34 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.23 2e5n h SER 96 CO -0.58 0.70 0.46 0.03 -0.53 0.00 0.00 176.83 176.91 2e5n h ARG 97 N -0.52 0.31 0.00 2.24 2.47 0.13 -3.09 114.38 115.92 2e5n h ARG 97 Ca -0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2e5n h ARG 97 Cb 0.70 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2e5n h ARG 97 CO 0.01 0.21 -0.36 0.87 0.56 0.00 0.00 179.97 181.26 2e5n h LYS 98 N 0.32 0.00 -5.58 0.04 1.79 -0.70 -3.43 116.57 109.01 2e5n h LYS 98 Ca 0.33 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.53 2e5n h LYS 98 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2e5n h LYS 98 CO -0.08 0.00 0.83 -0.51 -1.08 0.00 0.00 179.45 178.61 2e5n s LEU 99 N -8.31 3.14 0.00 2.94 1.43 0.10 -5.09 118.68 112.89 2e5n s LEU 99 Ca -0.10 0.29 0.28 0.00 -1.03 0.00 0.00 54.13 53.56 2e5n s LEU 99 Cb 0.01 -2.53 0.99 0.00 0.03 0.00 0.00 46.19 44.69 2e5n s LEU 99 CO 0.15 -3.17 1.71 -0.46 0.23 0.00 0.00 176.35 174.81