#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 -0.05 -0.60 1.61 0.15 -1.26 -5.08 113.70 108.47 2e5n s SER 2 Ca 0.00 -1.01 -0.27 0.00 0.70 0.00 0.00 55.95 55.37 2e5n s SER 2 Cb 0.00 0.80 0.03 0.00 -1.71 0.00 0.00 66.02 65.14 2e5n s SER 2 CO 0.00 -1.57 1.16 -0.55 1.20 0.00 0.00 173.24 173.48 2e5n s SER 3 N -3.06 6.38 0.00 5.45 0.15 -1.26 -4.70 113.70 116.66 2e5n s SER 3 Ca 0.15 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2e5n s SER 3 Cb -0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2e5n s SER 3 CO 0.10 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.66 2e5n n GLY 4 N 5.12 0.92 3.92 9.45 0.00 -1.26 -4.98 105.19 118.37 2e5n n GLY 4 Ca 0.06 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.00 4.71 -0.00 1.61 0.01 -1.26 -5.10 113.70 109.66 2e5n s SER 5 Ca 0.00 0.54 0.02 0.00 1.31 0.00 0.00 55.95 57.82 2e5n s SER 5 Cb 0.00 -1.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 2e5n s SER 5 CO 0.00 -1.70 -0.06 -0.55 0.41 0.00 0.00 173.24 171.34 2e5n s SER 6 N -4.54 0.75 0.00 2.44 0.15 -1.26 -4.53 113.70 106.71 2e5n s SER 6 Ca 0.61 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2e5n s SER 6 Cb -0.11 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2e5n s SER 6 CO 0.46 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.57 2e5n n GLY 7 N 2.84 0.73 3.97 9.45 0.00 -1.26 -5.14 105.19 115.78 2e5n n GLY 7 Ca -0.14 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.41 2.54 -0.11 2.61 -4.23 -1.26 -4.90 115.64 109.89 2e5n s THR 8 Ca 0.00 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.80 2e5n s THR 8 Cb 0.00 -2.96 -0.27 0.00 1.34 0.00 0.00 72.50 70.61 2e5n s THR 8 CO 0.00 0.00 0.48 0.40 -0.54 0.00 0.00 174.62 174.96 2e5n h ILE 9 N -0.11 0.85 -0.00 2.99 1.08 -2.00 -3.33 117.51 116.99 2e5n h ILE 9 Ca -0.42 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 61.67 2e5n h ILE 9 Cb 1.30 2.61 -0.00 0.00 -3.07 0.00 0.00 36.82 37.65 2e5n h ILE 9 CO 0.52 0.77 0.20 0.77 -0.69 0.00 0.00 178.15 179.72 2e5n h SER 10 N -0.14 0.00 0.85 1.72 4.64 -1.96 0.21 113.55 118.87 2e5n h SER 10 Ca -0.36 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.73 2e5n h SER 10 Cb 1.89 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.95 2e5n h SER 10 CO 0.07 0.00 -1.19 1.56 -0.87 0.00 0.00 176.83 176.40 2e5n h GLN 11 N 0.00 0.01 -7.11 4.77 4.20 -1.99 -3.46 115.11 111.54 2e5n h GLN 11 Ca 0.00 -0.02 -0.47 0.00 0.06 0.00 0.00 58.65 58.22 2e5n h GLN 11 Cb 0.39 0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.20 2e5n h GLN 11 CO -0.00 0.88 0.38 1.03 -0.67 0.00 0.00 178.83 180.45 2e5n s ARG 12 N -2.68 3.78 0.36 1.46 1.81 0.72 -5.01 118.95 119.39 2e5n s ARG 12 Ca -0.01 1.26 -0.27 0.00 -1.72 0.00 0.00 55.73 55.00 2e5n s ARG 12 Cb 0.09 -2.10 -0.09 0.00 -0.45 0.00 0.00 34.95 32.40 2e5n s ARG 12 CO 0.82 -0.44 1.21 -1.25 -0.68 0.00 0.00 175.30 174.96 2e5n s PRO 13 N -3.46 4.25 0.05 3.54 0.04 -1.26 -4.88 135.00 133.27 2e5n s PRO 13 Ca 0.65 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 2e5n s PRO 13 Cb -0.15 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 2e5n s PRO 13 CO 0.23 -0.19 1.18 -0.92 0.04 0.00 0.00 177.00 177.34 2e5n h TYR 14 N 3.08 -0.60 -0.64 0.56 3.20 -1.95 -1.03 116.97 119.59 2e5n h TYR 14 Ca -0.48 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.52 2e5n h TYR 14 Cb 1.23 0.29 -0.10 0.00 1.54 0.00 0.00 36.73 39.68 2e5n h TYR 14 CO 0.56 -0.15 -0.26 -2.13 -1.64 0.00 0.00 178.16 174.54 2e5n n ARG 15 N -3.65 -0.16 0.01 1.82 0.63 -1.26 0.12 116.66 114.17 2e5n n ARG 15 Ca -0.01 0.99 -0.10 0.00 -0.92 0.00 0.00 57.85 57.82 2e5n n ARG 15 Cb 0.11 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.51 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 -0.64 -0.38 6.15 5.19 -1.59 0.19 116.42 125.34 2e5n h ASP 16 Ca 0.22 0.10 0.10 0.00 -0.62 0.00 0.00 57.03 56.83 2e5n h ASP 16 Cb 0.38 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 2e5n h ASP 16 CO -0.64 -0.26 0.27 0.03 -3.12 0.00 0.00 179.24 175.52 2e5n h ARG 17 N -0.28 0.05 0.19 3.56 3.08 0.16 0.24 114.38 121.38 2e5n h ARG 17 Ca 0.09 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2e5n h ARG 17 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2e5n h ARG 17 CO -0.27 0.03 -0.09 0.28 -1.07 0.00 0.00 179.97 178.85 2e5n h VAL 18 N 0.05 0.00 -0.98 2.04 2.07 0.75 -3.15 116.25 117.03 2e5n h VAL 18 Ca 0.18 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 67.03 2e5n h VAL 18 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 2e5n h VAL 18 CO -0.01 0.00 0.62 0.16 0.02 0.00 0.00 177.57 178.36 2e5n h ILE 19 N -1.02 0.99 -0.09 4.57 3.07 -0.50 0.11 117.51 124.65 2e5n h ILE 19 Ca -0.03 -0.36 0.03 0.00 1.55 0.00 0.00 64.86 66.05 2e5n h ILE 19 Cb 0.19 -0.14 -0.00 0.00 -0.27 0.00 0.00 36.82 36.60 2e5n h ILE 19 CO 0.04 0.19 0.08 0.45 -1.05 0.00 0.00 178.15 177.86 2e5n h HIS 20 N 1.04 0.00 0.09 0.16 3.86 -0.65 0.25 115.15 119.91 2e5n h HIS 20 Ca 0.46 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.35 2e5n h HIS 20 Cb 0.33 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2e5n h HIS 20 CO -0.01 0.00 -1.69 -0.07 0.86 0.00 0.00 177.93 177.02 2e5n h LEU 21 N 0.00 0.30 -1.30 2.43 3.38 -0.87 -3.37 115.31 115.89 2e5n h LEU 21 Ca 0.04 -0.81 -0.06 0.00 0.09 0.00 0.00 57.88 57.14 2e5n h LEU 21 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2e5n h LEU 21 CO -0.00 1.72 -0.14 -0.07 0.09 0.00 0.00 178.44 180.04 2e5n h LEU 22 N -0.28 0.29 -0.08 1.67 3.38 -0.48 -3.21 115.31 116.61 2e5n h LEU 22 Ca -0.38 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.54 2e5n h LEU 22 Cb 1.79 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 2e5n h LEU 22 CO 0.00 0.46 -0.33 0.00 0.09 0.00 0.00 178.44 178.66 2e5n h ALA 23 N 1.57 -0.72 -0.90 1.53 0.00 -0.67 -1.99 119.26 118.09 2e5n h ALA 23 Ca 0.06 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.10 2e5n h ALA 23 Cb 0.42 0.84 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 2e5n h ALA 23 CO 0.02 -0.84 -0.24 -0.07 0.00 0.00 0.00 179.25 178.13 2e5n h LEU 24 N -0.36 -0.89 -7.91 0.00 3.38 -1.73 -3.44 115.31 104.35 2e5n h LEU 24 Ca 0.02 0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.35 2e5n h LEU 24 Cb 0.42 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 2e5n h LEU 24 CO -0.26 -0.30 0.29 -1.59 0.09 0.00 0.00 178.44 176.67 2e5n s LYS 25 N -6.22 1.64 0.18 1.13 -2.85 -0.75 -5.03 119.74 107.84 2e5n s LYS 25 Ca -0.15 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 2e5n s LYS 25 Cb 0.24 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.49 2e5n s LYS 25 CO 0.76 -0.75 1.30 0.00 0.10 0.00 0.00 175.35 176.76 2e5n s ALA 26 N -3.77 3.52 0.15 0.59 0.00 -1.25 -4.19 121.76 116.80 2e5n s ALA 26 Ca 0.11 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.24 2e5n s ALA 26 Cb -0.05 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2e5n s ALA 26 CO 0.06 -0.52 -0.20 0.71 0.00 0.00 0.00 175.76 175.80 2e5n s TYR 27 N 0.23 1.89 0.09 0.00 1.51 -0.60 -4.85 117.35 115.63 2e5n s TYR 27 Ca 0.57 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 56.13 2e5n s TYR 27 Cb -0.36 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 2e5n s TYR 27 CO 0.37 0.31 0.36 0.15 -1.11 0.00 0.00 175.55 175.63 2e5n s LYS 28 N -2.48 3.66 0.15 -0.62 3.01 -1.26 -0.10 119.74 122.10 2e5n s LYS 28 Ca 0.13 -0.00 -0.15 0.00 -1.01 0.00 0.00 55.97 54.95 2e5n s LYS 28 Cb -0.07 -2.95 0.12 0.00 -1.01 0.00 0.00 37.83 33.92 2e5n s LYS 28 CO 0.06 0.54 1.11 1.17 0.51 0.00 0.00 175.35 178.74 2e5n n LYS 29 N 0.57 -0.20 -0.00 1.68 3.00 -1.26 0.41 118.16 122.36 2e5n n LYS 29 Ca -0.06 1.10 -0.13 0.00 -0.00 0.00 0.00 58.31 59.22 2e5n n LYS 29 Cb 0.52 -1.63 -0.10 0.00 0.00 0.00 0.00 35.03 33.83 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 -1.95 -3.21 132.00 128.80 2e5n h PRO 30 Ca 0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2e5n h PRO 30 Cb 0.40 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 2e5n h PRO 30 CO -0.70 0.45 -0.28 1.49 -0.23 0.00 0.00 178.00 178.73 2e5n h GLU 31 N -0.51 -0.49 -0.83 0.86 4.81 -1.18 -2.38 114.58 114.87 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 0.11 -0.15 0.00 0.63 0.00 0.00 28.75 29.82 2e5n h GLU 31 CO 0.00 -0.33 -0.00 -0.11 -0.73 0.00 0.00 179.01 177.84 2e5n n LEU 32 N -4.04 -0.12 0.25 1.64 0.00 0.16 0.31 117.00 115.22 2e5n n LEU 32 Ca -0.06 1.41 -0.16 0.00 0.00 0.00 0.00 56.01 57.19 2e5n n LEU 32 Cb 0.24 -0.50 -0.08 0.00 0.00 0.00 0.00 43.42 43.08 2e5n n LEU 32 CO 0.13 -1.42 0.61 -0.07 0.00 0.00 0.00 177.39 176.63 2e5n h LEU 33 N 0.00 -1.05 -0.96 -1.96 3.38 -1.44 -2.03 115.31 111.25 2e5n h LEU 33 Ca 0.49 0.09 0.35 0.00 0.09 0.00 0.00 57.88 58.89 2e5n h LEU 33 Cb 0.99 0.35 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 2e5n h LEU 33 CO -0.78 -0.54 0.60 0.00 0.09 0.00 0.00 178.44 177.80 2e5n n ALA 34 N -2.68 0.96 -0.00 1.53 0.00 0.15 0.24 120.51 120.70 2e5n n ALA 34 Ca -0.11 0.68 -0.17 0.00 0.00 0.00 0.00 53.44 53.84 2e5n n ALA 34 Cb 0.39 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 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 0.24 0.00 2.47 -1.29 -3.24 114.38 112.95 2e5n h ARG 35 Ca 0.65 -0.41 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2e5n h ARG 35 Cb 2.02 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.45 2e5n h ARG 35 CO -0.40 1.08 -0.11 -0.07 0.56 0.00 0.00 179.97 181.03 2e5n h LEU 36 N -0.13 -0.27 -1.29 3.04 3.38 0.33 -3.26 115.31 117.12 2e5n h LEU 36 Ca -0.07 -0.14 0.44 0.00 0.09 0.00 0.00 57.88 58.20 2e5n h LEU 36 Cb 1.27 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 2e5n h LEU 36 CO 0.11 0.24 0.83 0.00 0.09 0.00 0.00 178.44 179.71 2e5n n GLN 37 N -4.98 -0.03 -0.17 1.13 1.13 0.25 -0.21 117.38 114.50 2e5n n GLN 37 Ca -0.06 1.15 -0.11 0.00 -1.94 0.00 0.00 57.00 56.05 2e5n n GLN 37 Cb 0.20 -2.28 -0.06 0.00 0.11 0.00 0.00 30.24 28.21 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 -0.29 0.00 -1.09 1.57 -1.59 0.19 116.57 115.35 2e5n h LYS 38 Ca 0.81 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.61 2e5n h LYS 38 Cb 2.64 0.07 0.00 0.00 0.08 0.00 0.00 32.23 35.02 2e5n h LYS 38 CO -0.42 -0.20 0.00 -0.44 -0.57 0.00 0.00 179.45 177.82 2e5n h ASP 39 N -0.30 0.00 0.00 0.86 5.19 -0.77 -3.48 116.42 117.91 2e5n h ASP 39 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2e5n h ASP 39 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2e5n h ASP 39 CO -0.63 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.10 2e5n n GLY 40 N 0.91 4.07 2.69 2.75 0.00 0.66 -4.96 105.19 111.31 2e5n n GLY 40 Ca 0.04 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.26 0.05 0.43 1.61 1.01 -1.26 -4.52 120.40 117.46 2e5n s VAL 41 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 2e5n s VAL 41 Cb 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 2e5n s VAL 41 CO 0.00 0.12 1.45 0.59 0.00 0.00 0.00 175.10 177.26 2e5n n ASN 42 N 5.25 3.45 -0.21 3.32 3.02 -1.26 -4.85 115.26 123.97 2e5n n ASN 42 Ca -0.05 1.15 -0.05 0.00 -0.03 0.00 0.00 54.58 55.60 2e5n n ASN 42 Cb 0.50 -1.61 0.12 0.00 -0.61 0.00 0.00 39.78 38.18 2e5n n ASN 42 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2e5n h GLN 43 N 2.46 1.02 0.00 3.52 4.15 -2.00 0.08 115.11 124.34 2e5n h GLN 43 Ca -0.51 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 58.67 2e5n h GLN 43 Cb 1.26 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2e5n h GLN 43 CO 0.62 0.87 -0.21 1.57 -1.93 0.00 0.00 178.83 179.75 2e5n h LYS 44 N 0.99 0.00 0.00 1.69 2.10 -2.03 -2.61 116.57 116.72 2e5n h LYS 44 Ca 0.22 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.68 2e5n h LYS 44 Cb 0.27 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.56 2e5n h LYS 44 CO -0.01 0.21 -1.33 -0.44 -2.00 0.00 0.00 179.45 175.88 2e5n h ASP 45 N 0.00 0.00 -0.41 7.07 3.32 -1.74 -3.30 116.42 121.36 2e5n h ASP 45 Ca -0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.13 2e5n h ASP 45 Cb 0.51 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 2e5n h ASP 45 CO 0.03 0.71 -0.17 0.11 -1.72 0.00 0.00 179.24 178.19 2e5n h LYS 46 N 0.00 -0.09 -0.27 3.56 1.57 -0.60 0.49 116.57 121.24 2e5n h LYS 46 Ca -0.16 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 2e5n h LYS 46 Cb 1.68 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.00 2e5n h LYS 46 CO 0.06 -0.06 -0.51 -0.97 -0.57 0.00 0.00 179.45 177.41 2e5n h ASN 47 N -0.09 0.85 0.18 0.86 -1.24 -1.72 -3.01 115.58 111.40 2e5n h ASN 47 Ca 0.20 -0.44 -0.04 0.00 0.71 0.00 0.00 56.30 56.74 2e5n h ASN 47 Cb 0.40 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 2e5n h ASN 47 CO -0.47 1.20 -0.18 0.28 -1.29 0.00 0.00 177.43 176.97 2e5n h SER 48 N 0.60 0.00 -0.90 1.15 0.02 -1.36 -2.89 113.55 110.17 2e5n h SER 48 Ca 0.02 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.22 2e5n h SER 48 Cb 1.09 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.48 2e5n h SER 48 CO 0.11 0.18 0.17 0.25 -1.14 0.00 0.00 176.83 176.40 2e5n h LEU 49 N 0.00 -0.14 -1.58 5.07 6.46 0.09 0.79 115.31 125.99 2e5n h LEU 49 Ca -0.00 0.22 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 2e5n h LEU 49 Cb 0.32 0.33 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 2e5n h LEU 49 CO 0.02 -0.23 0.40 1.23 -0.62 0.00 0.00 178.44 179.25 2e5n h GLY 50 N 0.13 0.65 0.80 3.75 0.00 -1.68 -0.03 103.07 106.69 2e5n h GLY 50 Ca 0.57 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 2e5n h GLY 50 CO -0.73 0.13 -0.22 0.00 0.00 0.00 0.00 176.54 175.72 2e5n h ALA 51 N 1.69 0.25 -0.52 3.60 0.00 0.41 -3.20 119.26 121.49 2e5n h ALA 51 Ca 0.27 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2e5n h ALA 51 Cb 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2e5n h ALA 51 CO -0.08 0.21 0.10 0.82 0.00 0.00 0.00 179.25 180.29 2e5n h ILE 52 N 0.09 1.25 -0.95 0.00 2.04 -0.86 -2.06 117.51 117.02 2e5n h ILE 52 Ca 0.02 -0.92 0.25 0.00 1.00 0.00 0.00 64.86 65.21 2e5n h ILE 52 Cb 0.78 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 2e5n h ILE 52 CO 0.05 0.33 0.65 -0.07 0.00 0.00 0.00 178.15 179.11 2e5n h LEU 53 N 0.74 0.24 0.00 1.44 3.38 -1.05 0.66 115.31 120.72 2e5n h LEU 53 Ca 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2e5n h LEU 53 Cb 0.38 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2e5n h LEU 53 CO 0.01 0.08 -0.90 -0.61 0.09 0.00 0.00 178.44 177.10 2e5n h GLN 54 N 0.23 0.00 0.00 1.13 4.15 -1.47 0.66 115.11 119.81 2e5n h GLN 54 Ca 0.49 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.72 2e5n h GLN 54 Cb 1.52 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.18 2e5n h GLN 54 CO -0.13 0.00 -1.14 1.96 -1.93 0.00 0.00 178.83 177.60 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 1.08 0.75 -3.39 115.11 115.24 2e5n h GLN 55 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2e5n h GLN 55 Cb 1.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2e5n h GLN 55 CO 0.00 0.57 -1.11 1.33 -0.95 0.00 0.00 178.83 178.66 2e5n n VAL 56 N -3.12 0.08 -4.63 -0.54 0.24 0.16 -5.04 118.33 105.48 2e5n n VAL 56 Ca -0.06 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.34 61.89 2e5n n VAL 56 Cb 0.88 -0.41 -0.08 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.08 3.44 -0.05 2.33 0.00 0.23 0.13 121.76 125.77 2e5n s ALA 57 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2e5n s ALA 57 Cb 0.01 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2e5n s ALA 57 CO 0.08 -0.18 -0.12 -0.80 0.00 0.00 0.00 175.76 174.74 2e5n s ASN 58 N -3.73 1.62 0.12 0.00 0.01 0.68 -3.50 114.94 110.13 2e5n s ASN 58 Ca 0.17 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 51.76 2e5n s ASN 58 Cb 0.03 -0.58 -0.06 0.00 0.41 0.00 0.00 41.25 41.05 2e5n s ASN 58 CO 0.10 0.06 0.97 -0.22 -1.51 0.00 0.00 177.10 176.50 2e5n s LEU 59 N 0.39 4.50 -0.41 0.60 0.20 -1.26 -0.32 118.68 122.38 2e5n s LEU 59 Ca -0.08 1.81 -0.06 0.00 0.69 0.00 0.00 54.13 56.49 2e5n s LEU 59 Cb -0.12 -3.59 0.09 0.00 -0.43 0.00 0.00 46.19 42.14 2e5n s LEU 59 CO 0.02 -0.07 0.22 0.21 -0.29 0.00 0.00 176.35 176.44 2e5n s ASN 60 N -0.03 5.43 0.62 3.68 3.84 -0.60 -4.94 114.94 122.93 2e5n s ASN 60 Ca 0.47 -1.72 0.25 0.00 0.21 0.00 0.00 52.86 52.06 2e5n s ASN 60 Cb -0.24 -1.90 1.11 0.00 -0.55 0.00 0.00 41.25 39.67 2e5n s ASN 60 CO 0.30 -0.53 1.56 -1.28 -2.79 0.00 0.00 177.10 174.36 2e5n h SER 61 N 8.24 0.00 -0.01 -4.21 0.87 -1.95 0.44 113.55 116.93 2e5n h SER 61 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2e5n h SER 61 Cb 1.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2e5n h SER 61 CO 0.73 0.00 -0.03 0.50 -0.53 0.00 0.00 176.83 177.50 2e5n h LYS 62 N 0.00 -0.03 0.00 2.24 1.63 -1.95 -3.32 116.57 115.15 2e5n h LYS 62 Ca 0.27 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 2e5n h LYS 62 Cb 1.88 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 33.46 2e5n h LYS 62 CO -0.00 -0.02 -0.41 -0.25 -3.45 0.00 0.00 179.45 175.32 2e5n n ASP 63 N -2.72 1.64 -3.13 4.20 9.92 -0.87 -4.97 116.55 120.62 2e5n n ASP 63 Ca -0.00 -3.17 -0.21 0.00 -0.53 0.00 0.00 54.79 50.87 2e5n n ASP 63 Cb 0.02 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 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 -0.88 -1.69 -4.73 0.64 4.32 0.15 -4.93 117.00 109.88 2e5n n LEU 64 Ca 0.14 -0.26 -0.35 0.00 -0.02 0.00 0.00 56.01 55.52 2e5n n LEU 64 Cb 0.74 -2.28 -0.08 0.00 -1.62 0.00 0.00 43.42 40.17 2e5n n LEU 64 CO -0.02 0.12 -0.18 -0.94 -1.22 0.00 0.00 177.39 175.15 2e5n s SER 65 N -2.59 6.21 -0.28 -1.43 1.04 -1.19 -4.50 113.70 110.95 2e5n s SER 65 Ca 0.31 0.23 -0.23 0.00 0.48 0.00 0.00 55.95 56.74 2e5n s SER 65 Cb -0.16 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 2e5n s SER 65 CO 0.38 0.17 0.75 -0.31 0.98 0.00 0.00 173.24 175.21 2e5n s TYR 66 N 0.41 3.25 -0.23 5.02 2.02 0.86 -1.56 117.35 127.12 2e5n s TYR 66 Ca 0.08 0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 57.55 2e5n s TYR 66 Cb -0.11 -3.07 -0.05 0.00 -0.40 0.00 0.00 41.96 38.33 2e5n s TYR 66 CO -0.01 -0.47 0.13 0.95 -1.57 0.00 0.00 175.55 174.58 2e5n s THR 67 N 2.80 5.13 0.13 -0.71 -4.23 0.56 -1.55 115.64 117.77 2e5n s THR 67 Ca 0.31 0.10 -0.34 0.00 -1.18 0.00 0.00 61.69 60.58 2e5n s THR 67 Cb -0.15 -3.38 -0.13 0.00 1.34 0.00 0.00 72.50 70.17 2e5n s THR 67 CO 0.10 0.36 1.63 -0.11 -0.54 0.00 0.00 174.62 176.06 2e5n n LEU 68 N 4.26 3.18 0.00 4.79 0.00 -1.26 -0.23 117.00 127.74 2e5n n LEU 68 Ca -0.15 1.07 -0.15 0.00 0.00 0.00 0.00 56.01 56.77 2e5n n LEU 68 Cb 0.52 -1.43 0.15 0.00 0.00 0.00 0.00 43.42 42.66 2e5n n LEU 68 CO 0.34 -0.24 0.17 0.29 0.00 0.00 0.00 177.39 177.96 2e5n n LYS 69 N 3.89 -1.79 -0.01 1.96 5.02 0.12 -4.86 118.16 122.49 2e5n n LYS 69 Ca 0.18 -0.72 -0.01 0.00 -2.02 0.00 0.00 58.31 55.74 2e5n n LYS 69 Cb 0.29 -1.28 -0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2e5n n LYS 69 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2e5n h ASP 70 N -2.75 0.00 -0.74 4.39 2.03 -1.92 -3.39 116.42 114.04 2e5n h ASP 70 Ca -0.19 0.00 0.14 0.00 -0.73 0.00 0.00 57.03 56.25 2e5n h ASP 70 Cb 0.66 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.02 2e5n h ASP 70 CO 0.12 0.10 -0.24 0.10 -1.03 0.00 0.00 179.24 178.30 2e5n h TYR 71 N -0.14 -0.57 -1.86 4.15 -0.00 -1.96 0.46 116.97 117.05 2e5n h TYR 71 Ca 0.00 0.07 0.56 0.00 -0.00 0.00 0.00 58.73 59.36 2e5n h TYR 71 Cb 0.07 0.36 -0.09 0.00 -0.00 0.00 0.00 36.73 37.07 2e5n h TYR 71 CO -0.03 -0.35 1.32 0.28 -0.00 0.00 0.00 178.16 179.38 2e5n n VAL 72 N -5.49 -0.06 -0.28 -0.90 0.31 -1.26 0.76 118.33 111.42 2e5n n VAL 72 Ca 0.09 1.57 0.07 0.00 -0.01 0.00 0.00 64.34 66.06 2e5n n VAL 72 Cb 0.38 -2.61 0.22 0.00 -0.91 0.00 0.00 33.84 30.93 2e5n n VAL 72 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2e5n h PHE 73 N 0.00 0.61 0.00 3.52 0.04 -0.26 0.40 116.94 121.25 2e5n h PHE 73 Ca 0.94 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 61.72 2e5n h PHE 73 Cb 3.60 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 41.60 2e5n h PHE 73 CO -0.00 0.07 -0.09 1.57 -0.60 0.00 0.00 178.31 179.26 2e5n h LYS 74 N 0.48 0.00 -0.14 1.51 2.10 0.19 -1.95 116.57 118.76 2e5n h LYS 74 Ca 0.46 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.95 2e5n h LYS 74 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2e5n h LYS 74 CO -0.42 0.09 -0.58 0.93 -2.00 0.00 0.00 179.45 177.47 2e5n h GLU 75 N 0.00 0.46 -6.36 0.07 5.08 -0.29 -3.45 114.58 110.08 2e5n h GLU 75 Ca -0.00 -0.30 -0.47 0.00 -1.00 0.00 0.00 59.36 57.59 2e5n h GLU 75 Cb 0.19 0.04 0.25 0.00 0.50 0.00 0.00 28.75 29.72 2e5n h GLU 75 CO 0.01 0.91 -1.85 1.28 -1.00 0.00 0.00 179.01 178.36 2e5n n LEU 76 N -3.93 -2.66 -3.71 1.33 4.77 -0.73 -5.00 117.00 107.06 2e5n n LEU 76 Ca -0.03 -0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.63 2e5n n LEU 76 Cb 0.61 -0.74 -0.17 0.00 -2.33 0.00 0.00 43.42 40.79 2e5n n LEU 76 CO 0.46 -2.82 -0.36 -1.10 -1.33 0.00 0.00 177.39 172.24 2e5n s GLN 77 N -2.78 0.44 0.62 3.23 -0.21 -1.26 -5.00 119.66 114.71 2e5n s GLN 77 Ca 0.47 -0.10 0.33 0.00 0.02 0.00 0.00 55.36 56.08 2e5n s GLN 77 Cb -0.01 -1.53 1.88 0.00 1.00 0.00 0.00 33.01 34.34 2e5n s GLN 77 CO 0.66 -0.51 2.16 0.00 -2.12 0.00 0.00 175.29 175.48 2e5n h ARG 78 N 8.33 0.00 0.00 2.91 3.08 -1.97 0.36 114.38 127.09 2e5n h ARG 78 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2e5n h ARG 78 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2e5n h ARG 78 CO 0.28 0.00 0.00 0.38 -1.07 0.00 0.00 179.97 179.56 2e5n h ASP 79 N 0.00 0.00 -1.10 7.04 3.04 -2.01 -3.47 116.42 119.92 2e5n h ASP 79 Ca 0.04 0.00 -0.79 0.00 -3.24 0.00 0.00 57.03 53.04 2e5n h ASP 79 Cb 0.35 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.68 2e5n h ASP 79 CO -0.00 0.00 0.21 1.87 -2.04 0.00 0.00 179.24 179.28 2e5n n TRP 80 N -2.43 0.93 -0.02 4.15 -0.00 0.13 -4.85 117.44 115.34 2e5n n TRP 80 Ca 0.05 1.01 -0.08 0.00 -0.00 0.00 0.00 57.50 58.47 2e5n n TRP 80 Cb 0.43 -2.15 0.08 0.00 -0.00 0.00 0.00 31.31 29.68 2e5n n TRP 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2e5n h PRO 81 N 3.55 0.61 -0.63 5.87 0.13 -1.90 -3.10 132.00 136.53 2e5n h PRO 81 Ca -0.50 -0.32 0.18 0.00 -0.87 0.00 0.00 66.00 64.50 2e5n h PRO 81 Cb 1.41 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.52 2e5n h PRO 81 CO 0.72 0.92 0.90 0.78 -0.23 0.00 0.00 178.00 181.08 2e5n h GLY 82 N 1.02 0.00 -5.81 1.56 0.00 -1.96 -3.37 103.07 94.52 2e5n h GLY 82 Ca 0.04 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.77 2e5n h GLY 82 CO 0.08 0.00 0.39 -0.19 0.00 0.00 0.00 176.54 176.82 2e5n s TYR 83 N -4.39 3.33 0.85 5.60 2.02 -1.17 -4.99 117.35 118.60 2e5n s TYR 83 Ca -0.03 1.10 -0.10 0.00 -0.37 0.00 0.00 57.07 57.67 2e5n s TYR 83 Cb 0.12 -2.99 0.16 0.00 -0.40 0.00 0.00 41.96 38.84 2e5n s TYR 83 CO 0.41 -0.34 1.18 -1.12 -1.57 0.00 0.00 175.55 174.11 2e5n s SER 84 N 1.31 3.73 0.61 2.29 0.01 -1.26 -4.52 113.70 115.87 2e5n s SER 84 Ca 0.34 0.09 0.25 0.00 1.31 0.00 0.00 55.95 57.95 2e5n s SER 84 Cb -0.16 -0.32 1.04 0.00 0.21 0.00 0.00 66.02 66.79 2e5n s SER 84 CO 0.09 -2.31 1.47 -0.08 0.41 0.00 0.00 173.24 172.81 2e5n h GLU 85 N -1.16 0.00 0.00 12.44 4.81 -1.96 -1.90 114.58 126.81 2e5n h GLU 85 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 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 0.42 0.00 -0.67 -0.89 -0.73 0.00 0.00 179.01 177.14 2e5n n ILE 86 N -3.29 1.19 -0.28 2.32 2.08 -1.26 -4.33 119.36 115.79 2e5n n ILE 86 Ca 0.16 0.23 -0.07 0.00 0.56 0.00 0.00 62.75 63.63 2e5n n ILE 86 Cb 1.20 -2.20 -0.07 0.00 -0.75 0.00 0.00 39.64 37.82 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 -4.12 -0.72 -0.38 4.38 8.00 -0.78 -0.07 116.55 122.86 2e5n n ASP 87 Ca -0.09 1.25 -0.10 0.00 0.71 0.00 0.00 54.79 56.56 2e5n n ASP 87 Cb 0.35 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.05 0.00 -1.24 3.08 -1.62 1.59 114.38 116.14 2e5n h ARG 88 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2e5n h ARG 88 Cb 0.28 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2e5n h ARG 88 CO -0.64 -0.03 -0.06 0.07 -1.07 0.00 0.00 179.97 178.24 2e5n h ARG 89 N -0.05 0.00 0.00 0.04 0.11 -0.68 0.39 114.38 114.19 2e5n h ARG 89 Ca 0.17 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.24 2e5n h ARG 89 Cb 0.46 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 2e5n h ARG 89 CO -0.90 0.06 -0.43 1.03 0.10 0.00 0.00 179.97 179.83 2e5n h SER 90 N 0.00 0.00 0.04 0.08 0.87 0.52 -3.36 113.55 111.70 2e5n h SER 90 Ca -0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.24 2e5n h SER 90 Cb 0.26 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 2e5n h SER 90 CO 0.01 0.08 -1.74 -0.11 -0.53 0.00 0.00 176.83 174.54 2e5n n LEU 91 N -2.97 2.18 -0.04 2.23 0.00 0.31 -4.11 117.00 114.60 2e5n n LEU 91 Ca 0.02 0.31 0.22 0.00 0.00 0.00 0.00 56.01 56.55 2e5n n LEU 91 Cb 0.57 -0.99 0.45 0.00 0.00 0.00 0.00 43.42 43.45 2e5n n LEU 91 CO 0.37 0.54 1.20 1.05 0.00 0.00 0.00 177.39 180.54 2e5n h GLU 92 N -0.61 0.00 0.34 1.96 4.11 -1.12 0.65 114.58 119.92 2e5n h GLU 92 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.98 2e5n h GLU 92 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2e5n h GLU 92 CO -0.14 0.00 -0.16 1.03 0.07 0.00 0.00 179.01 179.80 2e5n h SER 93 N 0.00 -0.39 -0.40 3.06 0.87 -1.71 -3.10 113.55 111.87 2e5n h SER 93 Ca 0.33 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.95 2e5n h SER 93 Cb 2.30 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 64.30 2e5n h SER 93 CO -0.00 0.01 -0.36 0.58 -0.53 0.00 0.00 176.83 176.53 2e5n h VAL 94 N -1.03 0.00 -0.88 2.23 2.07 -1.05 0.79 116.25 118.38 2e5n h VAL 94 Ca -0.05 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.73 2e5n h VAL 94 Cb 0.35 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2e5n h VAL 94 CO 0.08 0.00 0.81 -0.07 0.02 0.00 0.00 177.57 178.41 2e5n h LEU 95 N -0.15 0.00 0.26 2.57 3.38 -1.68 0.59 115.31 120.28 2e5n h LEU 95 Ca 0.07 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 2e5n h LEU 95 Cb 0.33 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.12 2e5n h LEU 95 CO -0.46 0.00 -1.48 -1.28 0.09 0.00 0.00 178.44 175.31 2e5n h SER 96 N 0.00 0.85 -0.06 -0.43 0.87 0.53 -2.48 113.55 112.84 2e5n h SER 96 Ca 0.42 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 60.02 2e5n h SER 96 Cb 2.04 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.72 2e5n h SER 96 CO -0.00 1.72 -0.09 0.03 -0.53 0.00 0.00 176.83 177.95 2e5n h ARG 97 N 0.14 0.16 0.02 2.24 3.08 0.27 -3.37 114.38 116.92 2e5n h ARG 97 Ca -0.26 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 2e5n h ARG 97 Cb 2.17 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.23 2e5n h ARG 97 CO 0.28 0.66 -0.01 0.87 -1.07 0.00 0.00 179.97 180.70 2e5n h LYS 98 N -0.32 -0.03 -5.49 0.04 1.79 -0.87 -3.39 116.57 108.29 2e5n h LYS 98 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.16 2e5n h LYS 98 Cb 0.65 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2e5n h LYS 98 CO 0.02 -0.02 1.14 1.28 -1.08 0.00 0.00 179.45 180.79 2e5n n LEU 99 N -2.11 1.99 0.00 2.94 4.77 -0.93 -5.09 117.00 118.57 2e5n n LEU 99 Ca -0.00 -0.80 0.02 0.00 -0.03 0.00 0.00 56.01 55.20 2e5n n LEU 99 Cb 0.01 -1.56 0.13 0.00 -2.33 0.00 0.00 43.42 39.67 2e5n n LEU 99 CO 0.01 -1.88 0.37 -3.20 -1.33 0.00 0.00 177.39 171.36