#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 6.26 0.10 1.61 0.01 -1.26 -5.10 113.70 115.32 2e5n s SER 2 Ca 0.00 0.98 -0.25 0.00 1.31 0.00 0.00 55.95 57.99 2e5n s SER 2 Cb 0.00 -2.27 0.07 0.00 0.21 0.00 0.00 66.02 64.03 2e5n s SER 2 CO 0.00 -0.61 0.61 -0.55 0.41 0.00 0.00 173.24 173.10 2e5n s SER 3 N -4.10 -0.57 0.00 2.44 0.15 -1.26 -5.14 113.70 105.21 2e5n s SER 3 Ca 0.48 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2e5n s SER 3 Cb -0.10 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2e5n s SER 3 CO 0.46 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2e5n n GLY 4 N 0.02 0.24 3.03 9.45 0.00 -1.26 -5.05 105.19 111.62 2e5n n GLY 4 Ca -0.18 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 -4.00 -0.15 0.34 1.61 0.15 -1.26 -5.14 113.70 105.25 2e5n s SER 5 Ca 0.00 0.51 -0.28 0.00 0.70 0.00 0.00 55.95 56.88 2e5n s SER 5 Cb 0.00 0.42 -0.10 0.00 -1.71 0.00 0.00 66.02 64.63 2e5n s SER 5 CO 0.00 -0.18 1.26 -0.44 1.20 0.00 0.00 173.24 175.09 2e5n s SER 6 N 1.42 6.76 0.32 5.45 0.01 -1.26 -5.04 113.70 121.37 2e5n s SER 6 Ca -0.08 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.77 2e5n s SER 6 Cb -0.11 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2e5n s SER 6 CO -0.08 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2e5n n GLY 7 N 0.82 0.61 3.42 3.44 0.00 -1.26 -5.14 105.19 107.08 2e5n n GLY 7 Ca 0.01 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 0.38 0.54 -0.25 2.61 -4.23 -1.26 -5.09 115.64 108.34 2e5n s THR 8 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 2e5n s THR 8 Cb 0.00 -2.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.20 2e5n s THR 8 CO 0.00 0.00 -0.11 -0.38 -0.54 0.00 0.00 174.62 173.59 2e5n n ILE 9 N -0.73 1.54 -0.27 2.99 2.08 -1.26 -4.33 119.36 119.39 2e5n n ILE 9 Ca -0.02 -0.28 0.08 0.00 0.56 0.00 0.00 62.75 63.09 2e5n n ILE 9 Cb 0.65 -1.90 0.22 0.00 -0.75 0.00 0.00 39.64 37.85 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 -0.88 -0.04 -0.70 4.38 0.87 -1.94 0.54 113.55 115.77 2e5n h SER 10 Ca -0.56 0.17 0.16 0.00 -1.23 0.00 0.00 61.79 60.33 2e5n h SER 10 Cb 1.55 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 63.71 2e5n h SER 10 CO -0.31 -0.10 0.48 1.56 -0.53 0.00 0.00 176.83 177.94 2e5n h GLN 11 N 0.23 0.24 -7.13 2.24 1.08 -2.01 -3.42 115.11 106.34 2e5n h GLN 11 Ca 0.46 -0.01 -0.49 0.00 -1.45 0.00 0.00 58.65 57.15 2e5n h GLN 11 Cb 0.85 -0.05 0.07 0.00 -0.05 0.00 0.00 27.48 28.29 2e5n h GLN 11 CO -0.58 0.16 0.40 1.03 -0.95 0.00 0.00 178.83 178.89 2e5n s ARG 12 N -5.25 3.32 0.36 1.46 1.81 0.19 -5.00 118.95 115.84 2e5n s ARG 12 Ca -0.07 1.43 -0.27 0.00 -1.72 0.00 0.00 55.73 55.10 2e5n s ARG 12 Cb 0.21 -2.02 -0.09 0.00 -0.45 0.00 0.00 34.95 32.60 2e5n s ARG 12 CO 0.76 -0.84 1.21 -1.25 -0.68 0.00 0.00 175.30 174.49 2e5n s PRO 13 N -3.62 4.23 0.06 3.54 0.04 -1.26 -4.89 135.00 133.11 2e5n s PRO 13 Ca 0.68 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.51 2e5n s PRO 13 Cb -0.20 -2.88 -0.06 0.00 0.04 0.00 0.00 34.50 31.39 2e5n s PRO 13 CO 0.31 -0.21 1.29 -0.92 0.04 0.00 0.00 177.00 177.51 2e5n h TYR 14 N 3.05 -0.87 -0.68 0.56 3.20 -1.94 -1.38 116.97 118.91 2e5n h TYR 14 Ca -0.48 0.04 0.14 0.00 3.14 0.00 0.00 58.73 61.56 2e5n h TYR 14 Cb 1.23 0.40 -0.13 0.00 1.54 0.00 0.00 36.73 39.77 2e5n h TYR 14 CO 0.56 -0.28 -0.17 -2.13 -1.64 0.00 0.00 178.16 174.50 2e5n n ARG 15 N -4.09 -0.06 0.44 1.82 0.63 -1.26 0.36 116.66 114.50 2e5n n ARG 15 Ca -0.03 1.06 -0.20 0.00 -0.92 0.00 0.00 57.85 57.77 2e5n n ARG 15 Cb 0.19 -1.58 -0.10 0.00 0.45 0.00 0.00 32.46 31.42 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 -1.17 -0.92 6.15 5.19 -1.66 -0.10 116.42 123.91 2e5n h ASP 16 Ca 0.33 0.06 0.27 0.00 -0.62 0.00 0.00 57.03 57.06 2e5n h ASP 16 Cb 0.50 0.33 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 2e5n h ASP 16 CO -0.70 -0.74 0.72 0.03 -3.12 0.00 0.00 179.24 175.43 2e5n h ARG 17 N -1.19 0.00 0.15 3.56 3.08 0.51 0.21 114.38 120.69 2e5n h ARG 17 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2e5n h ARG 17 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2e5n h ARG 17 CO 0.13 0.00 -0.07 0.28 -1.07 0.00 0.00 179.97 179.24 2e5n h VAL 18 N 0.00 0.00 -0.61 2.04 2.07 -0.31 -3.21 116.25 116.24 2e5n h VAL 18 Ca 0.44 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 67.41 2e5n h VAL 18 Cb 1.88 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 2e5n h VAL 18 CO -0.00 0.00 0.23 0.16 0.02 0.00 0.00 177.57 177.98 2e5n h ILE 19 N -0.84 0.78 -0.61 4.57 3.07 -0.35 0.10 117.51 124.23 2e5n h ILE 19 Ca -0.02 -0.14 0.18 0.00 1.55 0.00 0.00 64.86 66.42 2e5n h ILE 19 Cb 0.15 0.33 -0.02 0.00 -0.27 0.00 0.00 36.82 37.00 2e5n h ILE 19 CO 0.03 0.08 0.49 0.45 -1.05 0.00 0.00 178.15 178.15 2e5n h HIS 20 N 0.41 0.00 0.13 0.16 3.86 -0.75 0.32 115.15 119.28 2e5n h HIS 20 Ca 0.31 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.22 2e5n h HIS 20 Cb 0.37 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 2e5n h HIS 20 CO -0.16 0.00 -1.50 -0.07 0.86 0.00 0.00 177.93 177.06 2e5n h LEU 21 N 0.00 0.43 -1.34 2.43 3.38 -0.87 -3.35 115.31 115.99 2e5n h LEU 21 Ca 0.29 -0.87 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 2e5n h LEU 21 Cb 1.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2e5n h LEU 21 CO -0.00 1.66 -0.16 -0.07 0.09 0.00 0.00 178.44 179.96 2e5n h LEU 22 N -0.21 0.23 0.01 1.67 3.38 0.19 -3.26 115.31 117.32 2e5n h LEU 22 Ca -0.32 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2e5n h LEU 22 Cb 1.84 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 2e5n h LEU 22 CO 0.08 0.42 -0.02 0.00 0.09 0.00 0.00 178.44 179.01 2e5n h ALA 23 N 1.61 -0.59 -0.88 1.53 0.00 -0.56 -2.14 119.26 118.23 2e5n h ALA 23 Ca 0.04 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.25 2e5n h ALA 23 Cb 0.43 0.45 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 2e5n h ALA 23 CO 0.03 -0.59 0.23 1.28 0.00 0.00 0.00 179.25 180.20 2e5n n LEU 24 N -2.56 0.09 -3.67 0.00 4.77 -1.23 -4.70 117.00 109.71 2e5n n LEU 24 Ca -0.00 1.49 -0.03 0.00 -0.03 0.00 0.00 56.01 57.44 2e5n n LEU 24 Cb 0.02 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.47 2e5n n LEU 24 CO 0.01 -1.58 0.84 -1.59 -1.33 0.00 0.00 177.39 173.74 2e5n s LYS 25 N -5.62 0.83 0.23 3.23 -2.85 -0.80 -5.01 119.74 109.74 2e5n s LYS 25 Ca -0.10 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.14 2e5n s LYS 25 Cb 0.28 0.30 -0.09 0.00 -2.06 0.00 0.00 37.83 36.26 2e5n s LYS 25 CO 0.69 -0.38 1.30 0.00 0.10 0.00 0.00 175.35 177.06 2e5n s ALA 26 N -2.93 3.52 0.14 0.59 0.00 -1.24 -4.10 121.76 117.73 2e5n s ALA 26 Ca 0.12 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.29 2e5n s ALA 26 Cb 0.01 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2e5n s ALA 26 CO -0.02 -0.53 -0.20 0.71 0.00 0.00 0.00 175.76 175.72 2e5n s TYR 27 N -0.21 1.83 0.15 0.00 1.51 -0.61 -4.87 117.35 115.16 2e5n s TYR 27 Ca 0.54 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 56.11 2e5n s TYR 27 Cb -0.37 -0.95 -0.06 0.00 -0.11 0.00 0.00 41.96 40.48 2e5n s TYR 27 CO 0.41 0.29 0.39 0.15 -1.11 0.00 0.00 175.55 175.68 2e5n s LYS 28 N -2.45 3.62 0.19 -0.62 3.01 -1.26 -0.38 119.74 121.85 2e5n s LYS 28 Ca 0.12 -0.09 -0.16 0.00 -1.01 0.00 0.00 55.97 54.83 2e5n s LYS 28 Cb -0.07 -2.84 0.17 0.00 -1.01 0.00 0.00 37.83 34.08 2e5n s LYS 28 CO 0.06 0.45 1.31 1.17 0.51 0.00 0.00 175.35 178.86 2e5n n LYS 29 N 0.02 -0.22 0.00 1.68 3.00 -1.26 0.42 118.16 121.79 2e5n n LYS 29 Ca -0.02 1.30 -0.13 0.00 -0.00 0.00 0.00 58.31 59.46 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 -0.04 0.19 1.64 0.13 -1.97 -3.19 132.00 128.76 2e5n h PRO 30 Ca 0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.40 2e5n h PRO 30 Cb 0.48 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 2e5n h PRO 30 CO -0.84 0.44 -0.26 1.49 -0.23 0.00 0.00 178.00 178.60 2e5n h GLU 31 N -0.53 -0.45 -0.84 0.86 4.81 -1.45 -2.40 114.58 114.57 2e5n h GLU 31 Ca -0.00 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.48 2e5n h GLU 31 Cb 0.49 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.82 2e5n h GLU 31 CO 0.01 -0.30 -0.03 -0.11 -0.73 0.00 0.00 179.01 177.84 2e5n n LEU 32 N -3.93 -0.14 0.21 1.64 0.00 0.17 0.22 117.00 115.17 2e5n n LEU 32 Ca -0.06 1.44 -0.16 0.00 0.00 0.00 0.00 56.01 57.24 2e5n n LEU 32 Cb 0.23 -0.51 -0.08 0.00 0.00 0.00 0.00 43.42 43.06 2e5n n LEU 32 CO 0.12 -1.44 0.60 -0.07 0.00 0.00 0.00 177.39 176.59 2e5n h LEU 33 N 0.00 -1.13 -0.78 -1.96 3.38 -1.43 -1.97 115.31 111.43 2e5n h LEU 33 Ca 0.49 0.10 0.31 0.00 0.09 0.00 0.00 57.88 58.88 2e5n h LEU 33 Cb 0.96 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.98 2e5n h LEU 33 CO -0.81 -0.54 0.44 0.00 0.09 0.00 0.00 178.44 177.62 2e5n n ALA 34 N -2.74 0.79 -0.05 1.53 0.00 0.13 0.24 120.51 120.42 2e5n n ALA 34 Ca -0.10 0.73 -0.14 0.00 0.00 0.00 0.00 53.44 53.93 2e5n n ALA 34 Cb 0.39 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 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 0.45 0.24 0.00 2.47 -1.29 -3.01 114.38 113.24 2e5n h ARG 35 Ca 0.62 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 59.05 2e5n h ARG 35 Cb 1.71 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 2e5n h ARG 35 CO -0.53 0.88 -0.12 -0.07 0.56 0.00 0.00 179.97 180.70 2e5n h LEU 36 N 0.07 -0.27 -1.99 3.04 3.38 0.33 -3.22 115.31 116.65 2e5n h LEU 36 Ca 0.01 -0.17 0.48 0.00 0.09 0.00 0.00 57.88 58.28 2e5n h LEU 36 Cb 0.86 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2e5n h LEU 36 CO 0.06 0.23 1.18 1.56 0.09 0.00 0.00 178.44 181.56 2e5n h GLN 37 N -1.00 0.00 0.25 1.13 1.08 0.10 0.20 115.11 116.87 2e5n h GLN 37 Ca -0.03 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2e5n h GLN 37 Cb 0.43 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2e5n h GLN 37 CO 0.05 0.00 -0.29 0.87 -0.95 0.00 0.00 178.83 178.51 2e5n h LYS 38 N 0.00 -0.57 0.00 1.46 1.57 -1.53 -2.57 116.57 114.94 2e5n h LYS 38 Ca 0.78 0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.50 2e5n h LYS 38 Cb 3.13 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 35.56 2e5n h LYS 38 CO -0.02 -0.38 -0.50 0.22 -0.57 0.00 0.00 179.45 178.21 2e5n h ASP 39 N -0.59 0.00 0.00 0.86 1.82 -0.80 -3.48 116.42 114.23 2e5n h ASP 39 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2e5n h ASP 39 Cb 0.56 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2e5n h ASP 39 CO -0.09 0.50 0.00 0.61 -1.61 0.00 0.00 179.24 178.65 2e5n n GLY 40 N 0.65 3.47 3.24 -0.78 0.00 -0.39 -4.99 105.19 106.40 2e5n n GLY 40 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 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 1.77 -0.16 1.61 1.01 -1.26 -4.70 120.40 118.66 2e5n s VAL 41 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 2e5n s VAL 41 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2e5n s VAL 41 CO 0.00 0.50 0.69 0.20 0.00 0.00 0.00 175.10 176.48 2e5n s ASN 42 N -0.45 6.81 0.29 3.32 0.01 -1.26 -4.95 114.94 118.72 2e5n s ASN 42 Ca 0.07 0.98 0.04 0.00 -0.71 0.00 0.00 52.86 53.24 2e5n s ASN 42 Cb -0.09 -2.38 0.76 0.00 0.41 0.00 0.00 41.25 39.94 2e5n s ASN 42 CO -0.00 -0.26 1.67 0.06 -1.51 0.00 0.00 177.10 177.06 2e5n h GLN 43 N 7.27 0.30 0.00 -0.60 3.07 -1.99 1.02 115.11 124.17 2e5n h GLN 43 Ca -0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.38 2e5n h GLN 43 Cb 1.15 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.64 2e5n h GLN 43 CO 0.78 0.20 -0.06 1.57 0.09 0.00 0.00 178.83 181.41 2e5n h LYS 44 N 0.30 0.00 0.01 0.06 2.10 -2.03 -1.81 116.57 115.20 2e5n h LYS 44 Ca 0.57 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.98 2e5n h LYS 44 Cb 1.15 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 2e5n h LYS 44 CO -0.59 0.06 -1.29 -0.44 -2.00 0.00 0.00 179.45 175.18 2e5n h ASP 45 N 0.00 0.02 -0.95 7.07 3.32 0.59 -3.32 116.42 123.15 2e5n h ASP 45 Ca -0.00 -0.02 0.25 0.00 0.02 0.00 0.00 57.03 57.27 2e5n h ASP 45 Cb 0.11 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 2e5n h ASP 45 CO 0.01 1.02 0.65 0.11 -1.72 0.00 0.00 179.24 179.30 2e5n h LYS 46 N 0.00 0.23 0.03 3.56 1.57 -0.05 0.32 116.57 122.24 2e5n h LYS 46 Ca -0.13 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.40 2e5n h LYS 46 Cb 1.87 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.14 2e5n h LYS 46 CO 0.11 0.15 -1.01 -0.97 -0.57 0.00 0.00 179.45 177.16 2e5n h ASN 47 N 0.24 0.52 0.50 0.86 -0.73 -1.65 -3.25 115.58 112.07 2e5n h ASN 47 Ca 0.49 -0.44 -0.15 0.00 1.87 0.00 0.00 56.30 58.06 2e5n h ASN 47 Cb 1.50 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.92 2e5n h ASN 47 CO -0.13 1.26 -0.67 0.77 -0.37 0.00 0.00 177.43 178.29 2e5n h SER 48 N 0.20 0.18 -0.53 1.15 4.64 -0.66 -3.30 113.55 115.23 2e5n h SER 48 Ca -0.09 -0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 2e5n h SER 48 Cb 1.67 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 63.61 2e5n h SER 48 CO 0.17 0.80 -0.52 0.25 -0.87 0.00 0.00 176.83 176.66 2e5n h LEU 49 N 0.11 -1.76 -1.22 5.97 6.46 -0.66 0.34 115.31 124.55 2e5n h LEU 49 Ca -0.01 0.25 0.21 0.00 -0.12 0.00 0.00 57.88 58.21 2e5n h LEU 49 Cb 1.19 0.75 -0.09 0.00 -0.73 0.00 0.00 40.66 41.79 2e5n h LEU 49 CO 0.10 -0.36 0.62 1.23 -0.62 0.00 0.00 178.44 179.40 2e5n h GLY 50 N -0.30 1.42 1.02 3.75 0.00 -1.71 0.75 103.07 108.01 2e5n h GLY 50 Ca 0.12 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 2e5n h GLY 50 CO -0.67 -0.06 -0.47 0.00 0.00 0.00 0.00 176.54 175.35 2e5n h ALA 51 N 1.63 0.37 -0.19 3.60 0.00 -0.76 -3.27 119.26 120.64 2e5n h ALA 51 Ca 0.55 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2e5n h ALA 51 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2e5n h ALA 51 CO -0.31 0.52 0.07 0.82 0.00 0.00 0.00 179.25 180.36 2e5n h ILE 52 N 0.45 1.17 -1.11 0.00 2.04 0.12 -1.95 117.51 118.22 2e5n h ILE 52 Ca 0.01 -0.53 0.34 0.00 1.00 0.00 0.00 64.86 65.68 2e5n h ILE 52 Cb 1.07 1.16 -0.12 0.00 -0.74 0.00 0.00 36.82 38.19 2e5n h ILE 52 CO 0.10 0.17 0.69 -0.07 0.00 0.00 0.00 178.15 179.04 2e5n h LEU 53 N 0.15 0.41 0.00 1.44 3.38 -0.98 1.56 115.31 121.27 2e5n h LEU 53 Ca 0.06 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2e5n h LEU 53 Cb 0.20 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2e5n h LEU 53 CO -0.00 -0.08 -0.56 -0.61 0.09 0.00 0.00 178.44 177.28 2e5n h GLN 54 N 0.28 0.00 0.00 1.13 4.15 -1.54 1.47 115.11 120.60 2e5n h GLN 54 Ca 0.72 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 60.04 2e5n h GLN 54 Cb 1.90 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.57 2e5n h GLN 54 CO -0.45 0.00 -0.83 1.96 -1.93 0.00 0.00 178.83 177.58 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 1.08 0.27 -3.38 115.11 114.77 2e5n h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2e5n h GLN 55 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2e5n h GLN 55 CO 0.00 0.30 -0.83 1.33 -0.95 0.00 0.00 178.83 178.68 2e5n n VAL 56 N -3.02 0.00 -4.66 -0.54 0.24 0.17 -5.05 118.33 105.47 2e5n n VAL 56 Ca -0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 2e5n n VAL 56 Cb 0.72 -0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.01 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 3.59 -0.07 2.33 0.00 0.50 0.13 121.76 126.52 2e5n s ALA 57 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2e5n s ALA 57 Cb 0.00 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2e5n s ALA 57 CO 0.00 -0.14 -0.07 -0.80 0.00 0.00 0.00 175.76 174.75 2e5n s ASN 58 N -3.76 1.53 0.05 0.00 0.01 0.10 -3.72 114.94 109.15 2e5n s ASN 58 Ca 0.15 -0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.80 2e5n s ASN 58 Cb 0.03 -0.66 -0.05 0.00 0.41 0.00 0.00 41.25 40.99 2e5n s ASN 58 CO 0.08 -0.05 0.91 -0.22 -1.51 0.00 0.00 177.10 176.32 2e5n s LEU 59 N 1.06 4.43 -0.58 0.60 0.20 -1.26 -0.67 118.68 122.46 2e5n s LEU 59 Ca -0.08 1.64 -0.06 0.00 0.69 0.00 0.00 54.13 56.32 2e5n s LEU 59 Cb -0.14 -3.48 0.15 0.00 -0.43 0.00 0.00 46.19 42.29 2e5n s LEU 59 CO -0.01 -0.12 0.43 0.21 -0.29 0.00 0.00 176.35 176.58 2e5n s ASN 60 N 0.38 5.58 0.36 3.68 3.84 -0.58 -4.94 114.94 123.26 2e5n s ASN 60 Ca 0.46 -2.47 0.28 0.00 0.21 0.00 0.00 52.86 51.34 2e5n s ASN 60 Cb -0.22 -1.94 1.20 0.00 -0.55 0.00 0.00 41.25 39.74 2e5n s ASN 60 CO 0.27 -0.51 1.23 -1.20 -2.79 0.00 0.00 177.10 174.10 2e5n n SER 61 N 4.08 0.14 -0.05 -4.21 7.64 -1.26 0.96 113.62 120.93 2e5n n SER 61 Ca 0.03 1.05 -0.02 0.00 1.01 0.00 0.00 58.87 60.94 2e5n n SER 61 Cb 0.40 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.25 1.43 3.64 -1.96 -3.04 116.57 116.38 2e5n h LYS 62 Ca 0.70 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 2e5n h LYS 62 Cb 2.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.16 2e5n h LYS 62 CO -0.32 -0.01 0.00 -3.47 -2.27 0.00 0.00 179.45 173.38 2e5n n ASP 63 N -3.24 2.64 -2.20 4.20 2.03 -0.20 -4.96 116.55 114.83 2e5n n ASP 63 Ca 0.00 -1.90 -0.18 0.00 0.52 0.00 0.00 54.79 53.22 2e5n n ASP 63 Cb 0.04 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.40 -1.62 -4.86 -2.67 4.77 0.27 -4.95 117.00 108.34 2e5n n LEU 64 Ca 0.09 0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.85 2e5n n LEU 64 Cb 0.38 -2.68 -0.06 0.00 -2.33 0.00 0.00 43.42 38.73 2e5n n LEU 64 CO 0.07 -0.38 -0.07 -0.94 -1.33 0.00 0.00 177.39 174.74 2e5n s SER 65 N -2.17 6.55 -0.31 -1.43 1.04 -1.23 -4.61 113.70 111.53 2e5n s SER 65 Ca 0.00 0.65 -0.19 0.00 0.48 0.00 0.00 55.95 56.89 2e5n s SER 65 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 2e5n s SER 65 CO 0.00 0.37 0.57 -0.31 0.98 0.00 0.00 173.24 174.85 2e5n s TYR 66 N -1.01 3.21 -0.23 5.02 2.02 0.49 -1.53 117.35 125.32 2e5n s TYR 66 Ca 0.18 0.46 -0.09 0.00 -0.37 0.00 0.00 57.07 57.25 2e5n s TYR 66 Cb -0.14 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 2e5n s TYR 66 CO 0.07 -0.46 0.11 0.95 -1.57 0.00 0.00 175.55 174.65 2e5n s THR 67 N 2.49 4.91 0.16 -0.71 -4.23 0.15 -1.57 115.64 116.85 2e5n s THR 67 Ca 0.22 0.02 -0.34 0.00 -1.18 0.00 0.00 61.69 60.42 2e5n s THR 67 Cb -0.15 -3.27 -0.14 0.00 1.34 0.00 0.00 72.50 70.28 2e5n s THR 67 CO 0.12 0.37 1.54 -0.11 -0.54 0.00 0.00 174.62 176.00 2e5n n LEU 68 N 4.26 2.99 0.00 4.79 0.00 -1.26 0.00 117.00 127.78 2e5n n LEU 68 Ca -0.16 1.09 -0.11 0.00 0.00 0.00 0.00 56.01 56.84 2e5n n LEU 68 Cb 0.52 -1.41 0.11 0.00 0.00 0.00 0.00 43.42 42.64 2e5n n LEU 68 CO 0.34 -0.37 0.12 0.29 0.00 0.00 0.00 177.39 177.78 2e5n n LYS 69 N 3.19 -1.57 -0.11 1.96 5.02 0.12 -4.83 118.16 121.94 2e5n n LYS 69 Ca 0.16 -0.52 -0.23 0.00 -2.02 0.00 0.00 58.31 55.70 2e5n n LYS 69 Cb 0.28 -0.89 -0.12 0.00 -0.02 0.00 0.00 35.03 34.29 2e5n n LYS 69 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2e5n n ASP 70 N -2.28 1.98 -0.16 4.39 8.00 -1.26 -4.36 116.55 122.86 2e5n n ASP 70 Ca 0.05 0.14 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 2e5n n ASP 70 Cb 0.22 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2e5n h TYR 71 N -0.43 0.80 -1.06 1.24 -0.00 -1.94 -2.71 116.97 112.86 2e5n h TYR 71 Ca -0.57 -0.10 0.29 0.00 -0.00 0.00 0.00 58.73 58.34 2e5n h TYR 71 Cb 1.76 -0.22 -0.07 0.00 -0.00 0.00 0.00 36.73 38.20 2e5n h TYR 71 CO 0.01 0.74 0.72 0.28 -0.00 0.00 0.00 178.16 179.90 2e5n h VAL 72 N 0.62 0.50 -1.05 -0.90 2.07 -1.87 0.23 116.25 115.85 2e5n h VAL 72 Ca 0.14 -0.07 0.29 0.00 0.82 0.00 0.00 66.70 67.88 2e5n h VAL 72 Cb 0.36 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2e5n h VAL 72 CO 0.01 0.04 0.74 -0.26 0.02 0.00 0.00 177.57 178.11 2e5n h PHE 73 N 0.22 0.16 0.00 1.57 0.04 -1.68 0.88 116.94 118.13 2e5n h PHE 73 Ca 0.56 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 61.21 2e5n h PHE 73 Cb 1.76 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.85 2e5n h PHE 73 CO -0.00 0.02 -0.60 1.57 -0.60 0.00 0.00 178.31 178.70 2e5n h LYS 74 N 0.10 0.00 0.00 1.51 2.10 -0.72 -3.09 116.57 116.47 2e5n h LYS 74 Ca 0.52 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.04 2e5n h LYS 74 Cb 1.88 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.19 2e5n h LYS 74 CO -0.08 0.60 -0.62 0.93 -2.00 0.00 0.00 179.45 178.28 2e5n h GLU 75 N 0.00 0.00 -6.13 0.07 5.08 0.68 -3.46 114.58 110.82 2e5n h GLU 75 Ca -0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 2e5n h GLU 75 Cb 1.21 0.00 0.19 0.00 0.50 0.00 0.00 28.75 30.64 2e5n h GLU 75 CO 0.08 0.62 -1.25 1.28 -1.00 0.00 0.00 179.01 178.74 2e5n n LEU 76 N -3.59 -2.24 -3.80 1.33 4.77 -0.84 -4.98 117.00 107.64 2e5n n LEU 76 Ca -0.00 -0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.53 2e5n n LEU 76 Cb 0.67 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 2e5n n LEU 76 CO 0.42 -2.83 -0.35 -1.10 -1.33 0.00 0.00 177.39 172.19 2e5n s GLN 77 N -2.87 0.96 0.60 3.23 -0.21 -1.26 -4.98 119.66 115.12 2e5n s GLN 77 Ca 0.39 -1.04 0.29 0.00 0.02 0.00 0.00 55.36 55.02 2e5n s GLN 77 Cb -0.02 -2.26 1.30 0.00 1.00 0.00 0.00 33.01 33.03 2e5n s GLN 77 CO 0.50 -0.85 1.69 0.00 -2.12 0.00 0.00 175.29 174.52 2e5n h ARG 78 N 8.04 0.00 -0.89 2.91 2.47 -1.96 1.08 114.38 126.02 2e5n h ARG 78 Ca -0.14 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.41 2e5n h ARG 78 Cb 1.04 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.26 2e5n h ARG 78 CO 0.44 0.00 0.21 -0.25 0.56 0.00 0.00 179.97 180.94 2e5n n ASP 79 N -3.53 3.57 -4.65 7.04 8.00 -1.26 -4.93 116.55 120.80 2e5n n ASP 79 Ca 0.14 -2.76 -0.43 0.00 0.71 0.00 0.00 54.79 52.46 2e5n n ASP 79 Cb 0.97 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.95 2.00 -0.81 1.24 -0.11 0.37 -4.87 118.94 114.81 2e5n s TRP 80 Ca 0.32 0.35 0.17 0.00 1.22 0.00 0.00 56.10 58.17 2e5n s TRP 80 Cb 0.26 -3.94 0.74 0.00 -1.50 0.00 0.00 33.47 29.03 2e5n s TRP 80 CO 0.08 -3.48 1.54 -0.35 -4.62 0.00 0.00 176.95 170.12 2e5n n PRO 81 N 7.40 0.07 0.00 5.86 -0.04 -1.26 -2.49 135.00 144.54 2e5n n PRO 81 Ca 0.18 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2e5n n PRO 81 Cb 0.44 -1.63 0.68 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.07 3.45 0.55 0.00 -1.26 -4.64 105.19 102.19 2e5n n GLY 82 Ca 0.03 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2e5n n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2e5n s TYR 83 N -2.44 3.21 0.86 1.61 2.02 -1.04 -4.99 117.35 116.57 2e5n s TYR 83 Ca 0.28 -0.57 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 2e5n s TYR 83 Cb 0.18 -2.42 0.21 0.00 -0.40 0.00 0.00 41.96 39.53 2e5n s TYR 83 CO 0.37 -0.48 0.82 0.43 -1.57 0.00 0.00 175.55 175.12 2e5n n SER 84 N 5.02 -1.44 0.19 2.29 7.64 -1.26 -4.37 113.62 121.69 2e5n n SER 84 Ca -0.13 -1.05 0.17 0.00 1.01 0.00 0.00 58.87 58.87 2e5n n SER 84 Cb 0.48 -0.73 0.69 0.00 -1.01 0.00 0.00 64.21 63.64 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 4.57 -1.99 -2.20 114.58 116.39 2e5n h GLU 85 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2e5n h GLU 85 Cb 0.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2e5n h GLU 85 CO 0.20 0.00 -0.45 -0.89 -1.18 0.00 0.00 179.01 176.69 2e5n n ILE 86 N -3.22 0.86 -0.29 2.32 -0.00 -1.26 -4.26 119.36 113.51 2e5n n ILE 86 Ca 0.04 0.31 -0.03 0.00 -0.00 0.00 0.00 62.75 63.07 2e5n n ILE 86 Cb 0.63 -2.01 -0.00 0.00 -0.00 0.00 0.00 39.64 38.26 2e5n n ILE 86 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2e5n n ASP 87 N -3.65 -0.56 -0.22 4.38 8.00 -1.08 0.36 116.55 123.78 2e5n n ASP 87 Ca -0.06 1.28 -0.09 0.00 0.71 0.00 0.00 54.79 56.63 2e5n n ASP 87 Cb 0.23 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 2e5n n ASP 87 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2e5n h ARG 88 N 0.00 -0.22 0.00 -1.24 3.08 -1.60 0.94 114.38 115.34 2e5n h ARG 88 Ca 0.21 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2e5n h ARG 88 Cb 0.40 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2e5n h ARG 88 CO -0.71 -0.15 -0.03 0.07 -1.07 0.00 0.00 179.97 178.08 2e5n h ARG 89 N -0.23 0.00 0.00 0.04 0.11 -0.28 0.46 114.38 114.48 2e5n h ARG 89 Ca 0.17 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.18 2e5n h ARG 89 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 2e5n h ARG 89 CO -0.70 0.03 -0.62 0.77 0.10 0.00 0.00 179.97 179.55 2e5n h SER 90 N 0.00 0.00 0.05 0.08 0.02 0.33 -3.36 113.55 110.66 2e5n h SER 90 Ca -0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 2e5n h SER 90 Cb 0.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2e5n h SER 90 CO 0.00 0.30 -1.78 -0.11 -1.14 0.00 0.00 176.83 174.10 2e5n n LEU 91 N -3.04 2.24 -0.48 5.07 0.00 0.21 -4.03 117.00 116.97 2e5n n LEU 91 Ca 0.00 0.29 0.40 0.00 0.00 0.00 0.00 56.01 56.70 2e5n n LEU 91 Cb 0.67 -1.00 0.68 0.00 0.00 0.00 0.00 43.42 43.77 2e5n n LEU 91 CO 0.39 0.57 1.28 1.05 0.00 0.00 0.00 177.39 180.68 2e5n h GLU 92 N -0.54 0.06 0.11 1.96 4.11 -1.10 0.31 114.58 119.50 2e5n h GLU 92 Ca -0.44 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 2e5n h GLU 92 Cb 1.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2e5n h GLU 92 CO -0.12 0.04 -0.05 0.77 0.07 0.00 0.00 179.01 179.72 2e5n h SER 93 N 0.06 -0.13 -0.47 3.06 0.02 -1.73 -2.90 113.55 111.47 2e5n h SER 93 Ca 0.83 -0.43 0.07 0.00 -0.84 0.00 0.00 61.79 61.42 2e5n h SER 93 Cb 2.77 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 65.25 2e5n h SER 93 CO -0.34 0.42 -0.46 0.58 -1.14 0.00 0.00 176.83 175.89 2e5n h VAL 94 N -0.74 0.08 -0.46 2.27 2.07 -0.55 0.46 116.25 119.38 2e5n h VAL 94 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 2e5n h VAL 94 Cb 0.55 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2e5n h VAL 94 CO 0.03 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.87 2e5n h LEU 95 N -0.31 0.13 -0.16 2.57 3.38 -1.53 0.18 115.31 119.57 2e5n h LEU 95 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2e5n h LEU 95 Cb 0.58 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2e5n h LEU 95 CO -0.62 0.08 -0.50 -1.28 0.09 0.00 0.00 178.44 176.21 2e5n h SER 96 N 0.15 0.72 0.74 -0.43 0.87 -0.06 0.33 113.55 115.86 2e5n h SER 96 Ca 0.22 -0.60 -0.11 0.00 -1.23 0.00 0.00 61.79 60.07 2e5n h SER 96 Cb 0.66 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2e5n h SER 96 CO -0.03 1.19 -0.54 0.03 -0.53 0.00 0.00 176.83 176.96 2e5n h ARG 97 N 0.29 0.00 0.00 2.24 3.08 0.62 -3.35 114.38 117.26 2e5n h ARG 97 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2e5n h ARG 97 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2e5n h ARG 97 CO 0.11 0.54 -0.21 0.87 -1.07 0.00 0.00 179.97 180.20 2e5n h LYS 98 N 0.00 0.00 -5.93 0.04 1.79 -0.68 -3.43 116.57 108.36 2e5n h LYS 98 Ca -0.01 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.02 2e5n h LYS 98 Cb 1.05 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.66 2e5n h LYS 98 CO 0.07 0.00 1.15 -0.51 -1.08 0.00 0.00 179.45 179.08 2e5n s LEU 99 N -7.27 3.25 0.00 2.94 1.43 0.11 -5.08 118.68 114.07 2e5n s LEU 99 Ca -0.06 -0.11 0.26 0.00 -1.03 0.00 0.00 54.13 53.18 2e5n s LEU 99 Cb 0.01 -2.54 1.53 0.00 0.03 0.00 0.00 46.19 45.22 2e5n s LEU 99 CO 0.09 -2.41 1.89 0.59 0.23 0.00 0.00 176.35 176.74