#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5cyt s ASP 2 N 0.00 4.66 0.23 1.61 1.11 -1.26 -4.86 116.67 118.16 5cyt s ASP 2 Ca 0.00 -0.22 -0.06 0.00 0.18 0.00 0.00 52.55 52.45 5cyt s ASP 2 Cb 0.00 -1.78 0.37 0.00 1.07 0.00 0.00 42.92 42.58 5cyt s ASP 2 CO 0.00 0.10 1.78 0.58 1.18 0.00 0.00 175.17 178.80 5cyt h VAL 3 N 5.35 0.83 -0.43 -1.27 2.07 -1.87 -1.54 116.25 119.39 5cyt h VAL 3 Ca -0.34 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 5cyt h VAL 3 Cb 1.18 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 5cyt h VAL 3 CO 0.61 0.11 -0.19 0.00 0.02 0.00 0.00 177.57 178.12 5cyt h ALA 4 N 1.45 0.84 0.00 1.67 0.00 -1.95 0.16 119.26 121.43 5cyt h ALA 4 Ca 0.37 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 5cyt h ALA 4 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 5cyt h ALA 4 CO -0.28 0.64 -0.41 0.87 0.00 0.00 0.00 179.25 180.07 5cyt h LYS 5 N 0.75 0.00 -0.04 0.00 1.57 -1.84 -2.49 116.57 114.51 5cyt h LYS 5 Ca 0.11 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 5cyt h LYS 5 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 5cyt h LYS 5 CO 0.06 0.41 -0.66 0.78 -0.57 0.00 0.00 179.45 179.46 5cyt h GLY 6 N 1.58 0.20 1.06 3.86 0.00 -0.58 -1.96 103.07 107.24 5cyt h GLY 6 Ca -0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 5cyt h GLY 6 CO 0.05 0.24 0.18 1.70 0.00 0.00 0.00 176.54 178.72 5cyt h LYS 7 N 0.13 1.13 -0.43 4.80 3.64 -0.72 0.12 116.57 125.25 5cyt h LYS 7 Ca -0.01 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 5cyt h LYS 7 Cb 1.18 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 5cyt h LYS 7 CO 0.10 0.99 0.27 -0.22 -2.27 0.00 0.00 179.45 178.32 5cyt h LYS 8 N 1.07 0.53 -0.60 1.90 3.64 -1.26 -0.64 116.57 121.22 5cyt h LYS 8 Ca 0.22 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 5cyt h LYS 8 Cb 0.36 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 5cyt h LYS 8 CO 0.00 0.35 0.06 1.15 -2.27 0.00 0.00 179.45 178.74 5cyt h THR 9 N 0.55 1.26 -0.16 1.00 2.02 -1.13 -0.68 112.91 115.76 5cyt h THR 9 Ca 0.16 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.31 5cyt h THR 9 Cb -0.03 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 5cyt h THR 9 CO -0.05 0.38 0.07 0.15 0.37 0.00 0.00 175.52 176.44 5cyt h PHE 10 N 0.93 0.13 -0.27 3.16 3.04 -0.27 0.28 116.94 123.95 5cyt h PHE 10 Ca 0.18 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 62.01 5cyt h PHE 10 Cb 0.46 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 5cyt h PHE 10 CO 0.03 0.07 -0.35 0.28 -2.02 0.00 0.00 178.31 176.32 5cyt h VAL 11 N 0.16 1.29 -0.14 1.41 2.07 -0.87 0.29 116.25 120.45 5cyt h VAL 11 Ca 0.07 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 5cyt h VAL 11 Cb 0.02 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 5cyt h VAL 11 CO -0.05 0.48 0.06 -0.61 0.02 0.00 0.00 177.57 177.46 5cyt h GLN 12 N 0.51 0.20 0.00 1.57 4.15 -0.98 -3.36 115.11 117.21 5cyt h GLN 12 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 5cyt h GLN 12 Cb 0.85 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.50 5cyt h GLN 12 CO 0.07 0.28 -1.40 1.63 -1.93 0.00 0.00 178.83 177.48 5cyt n LYS 13 N -4.90 0.60 -0.01 1.69 5.02 0.07 -4.85 118.16 115.78 5cyt n LYS 13 Ca -0.05 -0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.13 5cyt n LYS 13 Cb 0.10 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 5cyt n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 5cyt n ALA 15 N -2.47 1.25 0.92 0.00 0.00 -0.14 -0.96 120.51 119.12 5cyt n ALA 15 Ca -0.05 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.68 5cyt n ALA 15 Cb 0.56 -1.35 0.54 0.00 0.00 0.00 0.00 19.45 19.21 5cyt n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5cyt n GLN 16 N -2.29 0.10 0.00 0.00 0.00 -1.26 -3.60 117.38 110.32 5cyt n GLN 16 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.07 5cyt n GLN 16 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.84 5cyt n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 5cyt s HIS 18 N -1.84 0.68 0.26 0.00 3.76 -0.62 0.17 115.29 117.70 5cyt s HIS 18 Ca 0.00 -0.55 0.10 0.00 -0.15 0.00 0.00 55.06 54.46 5cyt s HIS 18 Cb 0.00 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 5cyt s HIS 18 CO 0.00 -0.10 -0.04 0.95 -0.85 0.00 0.00 174.74 174.70 5cyt s THR 19 N -1.65 3.27 -0.04 1.30 -4.23 -1.26 -4.35 115.64 108.68 5cyt s THR 19 Ca -0.08 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.53 5cyt s THR 19 Cb -0.08 -2.74 -0.12 0.00 1.34 0.00 0.00 72.50 70.90 5cyt s THR 19 CO -0.00 -0.36 0.11 1.33 -0.54 0.00 0.00 174.62 175.16 5cyt n VAL 20 N -0.79 0.26 -2.05 2.29 0.24 -1.26 -1.03 118.33 115.98 5cyt n VAL 20 Ca -0.06 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 61.65 5cyt n VAL 20 Cb 0.59 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 5cyt n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 5cyt s GLU 21 N -2.41 3.46 -0.03 7.34 1.03 -1.26 -3.42 118.70 123.41 5cyt s GLU 21 Ca -0.04 1.06 -0.30 0.00 0.03 0.00 0.00 54.97 55.73 5cyt s GLU 21 Cb 0.04 -2.06 -0.07 0.00 -0.80 0.00 0.00 34.13 31.25 5cyt s GLU 21 CO 0.34 -0.69 1.78 1.21 -1.33 0.00 0.00 175.26 176.58 5cyt s ASN 22 N -3.14 6.56 0.00 0.83 2.47 -1.26 -0.81 114.94 119.59 5cyt s ASN 22 Ca 0.61 2.37 0.00 0.00 0.42 0.00 0.00 52.86 56.26 5cyt s ASN 22 Cb -0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 5cyt s ASN 22 CO 0.40 -1.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.38 5cyt n GLY 23 N 4.33 0.75 3.76 1.21 0.00 -1.26 -5.04 105.19 108.94 5cyt n GLY 23 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 5cyt n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 5cyt s GLY 24 N -1.55 2.11 0.80 -0.02 0.00 0.01 -5.01 107.32 103.65 5cyt s GLY 24 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 44.72 45.16 5cyt s GLY 24 CO 0.00 0.91 1.09 0.54 0.00 0.00 0.00 173.10 175.64 5cyt s LYS 25 N -4.18 2.07 -0.74 2.90 -0.14 -1.26 -4.74 119.74 113.65 5cyt s LYS 25 Ca 0.67 0.99 -0.21 0.00 -1.36 0.00 0.00 55.97 56.06 5cyt s LYS 25 Cb -0.21 -1.89 0.09 0.00 -1.68 0.00 0.00 37.83 34.14 5cyt s LYS 25 CO 0.44 -1.72 1.01 -1.01 -0.76 0.00 0.00 175.35 173.30 5cyt s HIS 26 N -2.96 2.82 -0.03 3.18 3.76 -1.26 -4.09 115.29 116.71 5cyt s HIS 26 Ca 0.61 -0.84 -0.17 0.00 -0.15 0.00 0.00 55.06 54.52 5cyt s HIS 26 Cb -0.17 -4.28 -0.09 0.00 1.11 0.00 0.00 32.58 29.15 5cyt s HIS 26 CO 0.56 -1.59 0.70 -0.22 -0.85 0.00 0.00 174.74 173.34 5cyt h LYS 27 N 9.33 -0.56 0.00 1.40 3.64 -1.91 -3.46 116.57 125.01 5cyt h LYS 27 Ca -0.14 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 5cyt h LYS 27 Cb 1.06 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 5cyt h LYS 27 CO 1.16 -0.36 -0.30 0.28 -2.27 0.00 0.00 179.45 177.96 5cyt n VAL 28 N -5.17 0.00 -2.87 2.00 0.31 -0.90 -5.02 118.33 106.69 5cyt n VAL 28 Ca -0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.05 5cyt n VAL 28 Cb 0.24 -0.74 0.06 0.00 -0.91 0.00 0.00 33.84 32.48 5cyt n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 5cyt s GLY 29 N -4.85 1.80 0.51 2.92 0.00 0.13 -5.05 107.32 102.78 5cyt s GLY 29 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 42.69 5cyt s GLY 29 CO 0.00 -1.42 1.20 2.56 0.00 0.00 0.00 173.10 175.44 5cyt s PRO 30 N -4.71 3.44 0.36 2.90 0.04 -1.26 -4.56 135.00 131.21 5cyt s PRO 30 Ca 0.61 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 63.21 5cyt s PRO 30 Cb -0.07 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.12 5cyt s PRO 30 CO 0.39 -0.83 1.26 -1.71 0.04 0.00 0.00 177.00 176.15 5cyt n ASN 31 N -0.91 2.59 -1.04 6.66 2.85 -1.26 -4.55 115.26 119.60 5cyt n ASN 31 Ca 0.10 1.18 0.10 0.00 -0.11 0.00 0.00 54.58 55.85 5cyt n ASN 31 Cb 0.48 -1.47 0.21 0.00 1.24 0.00 0.00 39.78 40.24 5cyt n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 5cyt n LEU 32 N 0.66 3.33 -4.73 1.20 4.77 -0.20 -4.89 117.00 117.15 5cyt n LEU 32 Ca 0.05 -1.65 -0.42 0.00 -0.03 0.00 0.00 56.01 53.96 5cyt n LEU 32 Cb 0.37 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 5cyt n LEU 32 CO 0.61 0.76 1.24 0.86 -1.33 0.00 0.00 177.39 179.54 5cyt s TRP 33 N -1.23 2.98 0.00 -1.77 -0.11 -1.22 -1.84 118.94 115.75 5cyt s TRP 33 Ca 0.36 0.65 0.00 0.00 1.22 0.00 0.00 56.10 58.33 5cyt s TRP 33 Cb 0.20 -3.97 0.00 0.00 -1.50 0.00 0.00 33.47 28.20 5cyt s TRP 33 CO 0.27 -3.51 0.00 0.41 -4.62 0.00 0.00 176.95 169.50 5cyt n GLY 34 N 3.34 0.57 0.24 5.86 0.00 0.38 -4.96 105.19 110.63 5cyt n GLY 34 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 5cyt n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5cyt h LEU 35 N 0.00 -0.62 -9.41 0.99 5.85 -1.57 -3.38 115.31 107.17 5cyt h LEU 35 Ca 0.00 0.16 -0.54 0.00 0.84 0.00 0.00 57.88 58.34 5cyt h LEU 35 Cb 0.00 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.39 5cyt h LEU 35 CO 0.00 -0.21 0.82 -0.36 -0.34 0.00 0.00 178.44 178.35 5cyt s PHE 36 N -6.17 2.89 0.00 1.25 0.08 -1.26 -1.43 117.98 113.35 5cyt s PHE 36 Ca -0.14 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.72 5cyt s PHE 36 Cb 0.16 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 5cyt s PHE 36 CO 0.71 -2.54 0.00 0.41 -0.10 0.00 0.00 175.22 173.70 5cyt n GLY 37 N 3.64 0.99 3.89 4.36 0.00 0.61 -5.02 105.19 113.66 5cyt n GLY 37 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 5cyt n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 5cyt s ARG 38 N -0.60 3.66 0.98 1.61 1.70 -0.51 -4.81 118.95 120.98 5cyt s ARG 38 Ca 0.00 -0.00 -0.12 0.00 -0.47 0.00 0.00 55.73 55.14 5cyt s ARG 38 Cb 0.00 -2.90 0.18 0.00 -0.57 0.00 0.00 34.95 31.65 5cyt s ARG 38 CO 0.00 0.50 1.08 0.15 -1.08 0.00 0.00 175.30 175.96 5cyt s LYS 39 N -2.37 0.60 0.79 3.89 1.02 -1.26 -0.97 119.74 121.45 5cyt s LYS 39 Ca 0.38 0.80 -0.11 0.00 0.02 0.00 0.00 55.97 57.05 5cyt s LYS 39 Cb -0.13 -1.73 0.07 0.00 -0.52 0.00 0.00 37.83 35.52 5cyt s LYS 39 CO 0.22 -2.68 1.12 0.95 -0.92 0.00 0.00 175.35 174.03 5cyt s THR 40 N -2.83 2.91 -0.83 2.17 -4.23 -1.12 -3.98 115.64 107.73 5cyt s THR 40 Ca 0.65 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 5cyt s THR 40 Cb -0.20 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.95 5cyt s THR 40 CO 0.59 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 5cyt n GLY 41 N -0.65 0.39 0.00 3.99 0.00 -1.26 -4.81 105.19 102.85 5cyt n GLY 41 Ca 0.10 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.64 5cyt n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 5cyt n GLN 42 N -2.18 1.67 -2.00 1.61 1.13 -1.26 -4.97 117.38 111.39 5cyt n GLN 42 Ca -0.10 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.52 5cyt n GLN 42 Cb 0.48 -1.26 -0.03 0.00 0.11 0.00 0.00 30.24 29.54 5cyt n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 5cyt s ALA 43 N -2.55 3.68 0.21 -1.58 0.00 -1.26 -4.92 121.76 115.34 5cyt s ALA 43 Ca 0.05 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 5cyt s ALA 43 Cb 0.12 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 5cyt s ALA 43 CO 0.65 -0.92 1.48 -1.21 0.00 0.00 0.00 175.76 175.76 5cyt s GLU 44 N 1.99 4.25 0.00 0.00 2.02 -1.26 -2.86 118.70 122.84 5cyt s GLU 44 Ca 0.70 2.31 0.00 0.00 0.02 0.00 0.00 54.97 58.00 5cyt s GLU 44 Cb -0.39 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.70 5cyt s GLU 44 CO 0.31 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.51 5cyt n GLY 45 N 2.84 0.69 3.53 -1.39 0.00 -1.26 -5.04 105.19 104.56 5cyt n GLY 45 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 5cyt n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 5cyt s TYR 46 N -2.21 2.85 -0.62 1.61 5.04 -1.14 -5.07 117.35 117.83 5cyt s TYR 46 Ca 0.00 -0.10 -0.19 0.00 -2.44 0.00 0.00 57.07 54.34 5cyt s TYR 46 Cb 0.00 -1.71 0.10 0.00 0.35 0.00 0.00 41.96 40.71 5cyt s TYR 46 CO 0.00 0.23 0.76 -1.12 -1.34 0.00 0.00 175.55 174.08 5cyt s SER 47 N -0.64 6.21 0.62 4.32 0.01 -1.26 -4.90 113.70 118.05 5cyt s SER 47 Ca 0.10 -1.41 -0.07 0.00 1.31 0.00 0.00 55.95 55.87 5cyt s SER 47 Cb -0.11 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.81 5cyt s SER 47 CO 0.01 -1.16 0.94 -0.31 0.41 0.00 0.00 173.24 173.14 5cyt s TYR 48 N 2.86 3.26 0.69 2.43 2.02 -1.26 -5.07 117.35 122.27 5cyt s TYR 48 Ca 0.14 0.72 -0.13 0.00 -0.37 0.00 0.00 57.07 57.42 5cyt s TYR 48 Cb -0.22 -2.82 0.01 0.00 -0.40 0.00 0.00 41.96 38.54 5cyt s TYR 48 CO 0.06 -0.91 1.10 0.95 -1.57 0.00 0.00 175.55 175.17 5cyt s THR 49 N -3.07 3.35 0.42 -0.71 -4.23 -1.26 -4.93 115.64 105.21 5cyt s THR 49 Ca 0.55 0.56 0.21 0.00 -1.18 0.00 0.00 61.69 61.83 5cyt s THR 49 Cb -0.11 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.88 5cyt s THR 49 CO 0.46 -0.46 2.01 -2.24 -0.54 0.00 0.00 174.62 173.86 5cyt h ASP 50 N -0.32 0.00 -0.25 3.99 2.03 -1.97 -1.61 116.42 118.29 5cyt h ASP 50 Ca -0.46 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.82 5cyt h ASP 50 Cb 1.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 5cyt h ASP 50 CO 0.54 0.17 0.07 0.00 -1.03 0.00 0.00 179.24 178.99 5cyt h ALA 51 N 1.83 0.33 -0.07 4.15 0.00 -1.86 -0.06 119.26 123.59 5cyt h ALA 51 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 5cyt h ALA 51 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 5cyt h ALA 51 CO 0.02 -0.02 0.02 -0.97 0.00 0.00 0.00 179.25 178.30 5cyt h ASN 52 N 0.24 0.09 0.12 0.00 -1.24 -1.79 -2.85 115.58 110.15 5cyt h ASN 52 Ca 0.08 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 5cyt h ASN 52 Cb 0.27 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 5cyt h ASN 52 CO -0.00 0.25 -0.08 0.11 -1.29 0.00 0.00 177.43 176.42 5cyt h LYS 53 N -0.07 0.00 -0.14 6.67 1.57 -1.18 -2.63 116.57 120.79 5cyt h LYS 53 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 5cyt h LYS 53 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 5cyt h LYS 53 CO -0.00 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 177.82 5cyt n SER 54 N -4.14 2.00 0.22 0.86 3.41 -0.05 -4.41 113.62 111.52 5cyt n SER 54 Ca -0.03 -1.72 0.09 0.00 -0.26 0.00 0.00 58.87 56.96 5cyt n SER 54 Cb 0.16 -0.08 0.49 0.00 -0.26 0.00 0.00 64.21 64.51 5cyt n SER 54 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 5cyt h LYS 55 N 2.82 0.00 -0.27 4.33 1.63 -1.30 -3.47 116.57 120.30 5cyt h LYS 55 Ca 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 5cyt h LYS 55 Cb 0.61 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 5cyt h LYS 55 CO 0.00 0.24 -0.07 0.41 -3.45 0.00 0.00 179.45 176.58 5cyt n GLY 56 N -0.02 0.46 3.54 5.01 0.00 -1.26 -5.04 105.19 107.89 5cyt n GLY 56 Ca -0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 5cyt n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 5cyt s ILE 57 N -2.13 2.05 -0.11 -0.61 -5.25 -1.26 -5.07 121.20 108.82 5cyt s ILE 57 Ca 0.00 -2.13 -0.00 0.00 -0.99 0.00 0.00 60.65 57.53 5cyt s ILE 57 Cb 0.00 -2.72 -0.02 0.00 2.95 0.00 0.00 42.46 42.67 5cyt s ILE 57 CO 0.00 -0.15 -0.09 -0.69 -1.79 0.00 0.00 174.94 172.22 5cyt s VAL 58 N -2.72 3.46 -0.11 8.37 1.01 -1.26 -2.81 120.40 126.34 5cyt s VAL 58 Ca 0.33 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 5cyt s VAL 58 Cb 0.05 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 5cyt s VAL 58 CO 0.16 0.55 1.25 0.26 0.00 0.00 0.00 175.10 177.32 5cyt s TRP 59 N -0.16 2.98 0.30 5.22 0.23 -0.14 -4.71 118.94 122.67 5cyt s TRP 59 Ca 0.01 1.08 -0.08 0.00 -2.03 0.00 0.00 56.10 55.08 5cyt s TRP 59 Cb -0.13 -3.48 0.03 0.00 0.03 0.00 0.00 33.47 29.92 5cyt s TRP 59 CO 0.03 -1.60 0.54 0.27 0.96 0.00 0.00 176.95 177.15 5cyt n ASN 60 N 5.97 -1.54 -0.33 2.95 0.23 -1.26 -0.28 115.26 120.99 5cyt n ASN 60 Ca 0.13 -2.37 0.06 0.00 -0.53 0.00 0.00 54.58 51.86 5cyt n ASN 60 Cb 0.45 2.65 0.21 0.00 -2.08 0.00 0.00 39.78 41.02 5cyt n ASN 60 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 5cyt h ASN 61 N 1.58 0.80 0.08 0.53 4.21 -1.97 -0.10 115.58 120.71 5cyt h ASN 61 Ca -0.25 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.31 5cyt h ASN 61 Cb 0.97 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.07 5cyt h ASN 61 CO 0.32 0.43 -0.04 -0.78 -1.29 0.00 0.00 177.43 176.07 5cyt h ASP 62 N 0.89 -0.09 0.50 5.81 1.82 -1.96 -1.50 116.42 121.90 5cyt h ASP 62 Ca 0.46 -0.36 -0.13 0.00 -0.39 0.00 0.00 57.03 56.61 5cyt h ASP 62 Cb 0.45 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 5cyt h ASP 62 CO -0.27 0.33 -0.57 0.71 -1.61 0.00 0.00 179.24 177.83 5cyt h THR 63 N -0.52 1.40 -0.67 2.25 1.35 -1.80 -2.69 112.91 112.22 5cyt h THR 63 Ca -0.01 -1.94 -0.06 0.00 -0.55 0.00 0.00 66.41 63.85 5cyt h THR 63 Cb 0.44 2.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 5cyt h THR 63 CO 0.02 0.56 0.18 -0.07 -0.25 0.00 0.00 175.52 175.96 5cyt h LEU 64 N 0.05 1.01 -1.16 3.87 3.38 -0.98 0.29 115.31 121.77 5cyt h LEU 64 Ca -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 5cyt h LEU 64 Cb 1.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 5cyt h LEU 64 CO 0.08 0.97 0.21 0.24 0.09 0.00 0.00 178.44 180.03 5cyt h MET 65 N 1.00 0.79 -0.07 1.13 2.86 -1.11 -0.15 114.93 119.39 5cyt h MET 65 Ca 0.21 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 5cyt h MET 65 Cb 0.35 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.87 5cyt h MET 65 CO -0.00 0.66 -0.14 1.49 1.06 0.00 0.00 176.91 179.98 5cyt h GLU 66 N 0.78 0.22 -0.12 1.72 4.81 -1.16 -3.18 114.58 117.65 5cyt h GLU 66 Ca 0.19 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 5cyt h GLU 66 Cb 0.17 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 5cyt h GLU 66 CO -0.02 0.73 0.05 -0.92 -0.73 0.00 0.00 179.01 178.13 5cyt h TYR 67 N -0.27 0.10 0.00 0.92 -0.00 -0.75 -2.79 116.97 114.18 5cyt h TYR 67 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 5cyt h TYR 67 Cb 0.73 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 37.43 5cyt h TYR 67 CO 0.11 0.05 0.00 1.28 -0.00 0.00 0.00 178.16 179.61 5cyt n LEU 68 N -5.05 0.49 -0.05 2.82 4.77 -0.08 -1.56 117.00 118.34 5cyt n LEU 68 Ca -0.05 0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 56.42 5cyt n LEU 68 Cb 0.04 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.52 5cyt n LEU 68 CO 0.32 -0.53 0.39 -0.08 -1.33 0.00 0.00 177.39 176.16 5cyt h GLU 69 N 0.00 0.81 -0.94 3.23 4.81 -1.47 0.17 114.58 121.20 5cyt h GLU 69 Ca 0.00 -0.56 -0.11 0.00 -0.13 0.00 0.00 59.36 58.57 5cyt h GLU 69 Cb 0.29 0.08 -0.17 0.00 0.63 0.00 0.00 28.75 29.59 5cyt h GLU 69 CO 0.00 1.18 -0.45 1.21 -0.73 0.00 0.00 179.01 180.22 5cyt s ASN 70 N -6.99 -1.38 0.23 1.04 3.84 -0.68 -3.95 114.94 107.05 5cyt s ASN 70 Ca -0.10 -1.32 -0.08 0.00 0.21 0.00 0.00 52.86 51.56 5cyt s ASN 70 Cb 0.10 1.80 0.38 0.00 -0.55 0.00 0.00 41.25 42.98 5cyt s ASN 70 CO 0.89 -0.08 1.64 -0.65 -2.79 0.00 0.00 177.10 176.11 5cyt h PRO 71 N 5.59 0.10 0.00 0.43 0.11 -1.49 -2.28 132.00 134.46 5cyt h PRO 71 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 5cyt h PRO 71 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 5cyt h PRO 71 CO 0.03 0.07 0.00 1.57 -0.21 0.00 0.00 178.00 179.46 5cyt h LYS 72 N 0.10 0.00 0.00 1.05 2.10 -1.82 0.55 116.57 118.55 5cyt h LYS 72 Ca 0.38 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.80 5cyt h LYS 72 Cb 0.65 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.94 5cyt h LYS 72 CO -0.62 0.00 -1.24 -0.22 -2.00 0.00 0.00 179.45 175.37 5cyt h LYS 73 N 0.00 0.00 0.13 0.07 3.64 -1.81 -2.73 116.57 115.87 5cyt h LYS 73 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 5cyt h LYS 73 Cb 0.57 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.41 5cyt h LYS 73 CO 0.00 0.78 -1.25 -0.92 -2.27 0.00 0.00 179.45 175.78 5cyt h TYR 74 N 0.00 0.86 -2.71 1.91 3.20 -0.99 -3.40 116.97 115.84 5cyt h TYR 74 Ca -0.11 -0.56 -0.60 0.00 3.14 0.00 0.00 58.73 60.59 5cyt h TYR 74 Cb 1.83 -0.06 -0.40 0.00 1.54 0.00 0.00 36.73 39.64 5cyt h TYR 74 CO 0.00 1.41 -0.77 -0.89 -1.64 0.00 0.00 178.16 176.27 5cyt n ILE 75 N -3.72 0.24 -1.68 1.81 5.41 0.14 -5.08 119.36 116.48 5cyt n ILE 75 Ca -0.12 -4.16 -0.45 0.00 1.00 0.00 0.00 62.75 59.01 5cyt n ILE 75 Cb 1.00 -1.92 -0.04 0.00 -0.71 0.00 0.00 39.64 37.96 5cyt n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 5cyt n PRO 76 N 2.37 2.32 -0.25 0.38 -0.02 -1.03 -1.57 135.00 137.20 5cyt n PRO 76 Ca 0.25 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 5cyt n PRO 76 Cb 0.42 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 5cyt n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5cyt n GLY 77 N 3.68 0.64 3.75 -1.23 0.00 -1.26 -4.76 105.19 106.02 5cyt n GLY 77 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 5cyt n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 5cyt s THR 78 N -2.51 2.64 -2.23 2.61 -1.32 -0.61 -4.78 115.64 109.44 5cyt s THR 78 Ca 0.00 0.39 0.19 0.00 -1.21 0.00 0.00 61.69 61.06 5cyt s THR 78 Cb 0.00 -3.13 0.44 0.00 -1.51 0.00 0.00 72.50 68.30 5cyt s THR 78 CO 0.00 -0.09 1.44 2.29 -2.21 0.00 0.00 174.62 176.05 5cyt n LYS 79 N -1.68 2.08 -2.64 7.08 2.85 -1.26 -4.76 118.16 119.83 5cyt n LYS 79 Ca 0.13 -1.65 -0.43 0.00 -1.05 0.00 0.00 58.31 55.32 5cyt n LYS 79 Cb 0.50 -1.42 -0.02 0.00 -0.65 0.00 0.00 35.03 33.43 5cyt n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 5cyt s MET 80 N -1.55 3.65 -0.66 -1.58 1.75 -1.26 -4.96 119.30 114.68 5cyt s MET 80 Ca 0.34 0.43 -0.16 0.00 -1.25 0.00 0.00 55.69 55.05 5cyt s MET 80 Cb 0.19 -3.93 0.16 0.00 2.84 0.00 0.00 34.83 34.08 5cyt s MET 80 CO 0.26 -1.41 0.65 0.42 -0.65 0.00 0.00 175.02 174.29 5cyt s ILE 81 N 4.42 5.26 -0.20 10.11 -1.09 -1.26 -4.82 121.20 133.62 5cyt s ILE 81 Ca 0.45 -1.75 -0.11 0.00 -2.23 0.00 0.00 60.65 57.01 5cyt s ILE 81 Cb -0.08 -4.43 0.07 0.00 -1.58 0.00 0.00 42.46 36.45 5cyt s ILE 81 CO 0.30 -0.99 0.49 0.12 -1.23 0.00 0.00 174.94 173.62 5cyt s PHE 82 N 1.33 -0.77 0.24 3.97 2.19 -1.26 -5.05 117.98 118.64 5cyt s PHE 82 Ca 0.11 1.56 0.18 0.00 0.33 0.00 0.00 56.93 59.10 5cyt s PHE 82 Cb -0.21 0.38 0.73 0.00 -1.31 0.00 0.00 43.02 42.60 5cyt s PHE 82 CO -0.01 -0.42 1.77 0.00 1.83 0.00 0.00 175.22 178.39 5cyt h ALA 83 N 7.25 1.09 0.00 11.12 0.00 -1.95 -3.40 119.26 133.38 5cyt h ALA 83 Ca -0.32 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.25 5cyt h ALA 83 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 5cyt h ALA 83 CO 0.24 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.37 5cyt n GLY 84 N 0.02 3.04 3.38 0.00 0.00 -1.26 -4.44 105.19 105.93 5cyt n GLY 84 Ca -0.01 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.55 5cyt n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5cyt s ILE 85 N -2.65 5.09 0.16 -0.61 -1.09 0.05 -4.97 121.20 117.17 5cyt s ILE 85 Ca 0.00 -1.07 0.08 0.00 -2.23 0.00 0.00 60.65 57.43 5cyt s ILE 85 Cb 0.00 -4.03 -0.15 0.00 -1.58 0.00 0.00 42.46 36.71 5cyt s ILE 85 CO 0.00 -0.54 1.38 0.11 -1.23 0.00 0.00 174.94 174.66 5cyt h LYS 86 N 8.69 0.00 -6.26 2.79 1.79 -1.85 -3.37 116.57 118.37 5cyt h LYS 86 Ca -0.28 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.64 5cyt h LYS 86 Cb 1.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.72 5cyt h LYS 86 CO 0.85 0.87 0.69 0.15 -1.08 0.00 0.00 179.45 180.93 5cyt s LYS 87 N -2.98 4.35 0.25 3.15 1.02 -1.26 -4.93 119.74 119.34 5cyt s LYS 87 Ca 0.00 1.55 -0.04 0.00 0.02 0.00 0.00 55.97 57.50 5cyt s LYS 87 Cb 0.11 -3.58 0.35 0.00 -0.52 0.00 0.00 37.83 34.18 5cyt s LYS 87 CO 0.80 -0.45 1.88 -0.22 -0.92 0.00 0.00 175.35 176.44 5cyt h LYS 88 N 7.43 1.11 -0.64 1.68 3.64 -1.99 -1.96 116.57 125.83 5cyt h LYS 88 Ca -0.31 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 58.92 5cyt h LYS 88 Cb 1.14 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 5cyt h LYS 88 CO 0.89 0.74 0.06 0.78 -2.27 0.00 0.00 179.45 179.65 5cyt h GLY 89 N 1.14 1.17 1.50 5.01 0.00 -1.98 0.73 103.07 110.64 5cyt h GLY 89 Ca 0.40 -0.82 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 5cyt h GLY 89 CO -0.15 0.75 -0.29 -2.09 0.00 0.00 0.00 176.54 174.76 5cyt h GLU 90 N 1.00 0.57 -0.52 4.80 4.81 -1.92 -1.30 114.58 122.02 5cyt h GLU 90 Ca 0.19 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 5cyt h GLU 90 Cb 0.49 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 5cyt h GLU 90 CO 0.02 0.80 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.97 5cyt h ARG 91 N 0.49 0.92 -0.55 1.92 2.43 -1.00 -1.19 114.38 117.40 5cyt h ARG 91 Ca 0.06 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 5cyt h ARG 91 Cb 0.76 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 5cyt h ARG 91 CO 0.06 0.94 0.01 1.96 -1.51 0.00 0.00 179.97 181.43 5cyt h GLN 92 N 0.84 0.93 -0.34 0.20 4.20 -0.48 -0.61 115.11 119.84 5cyt h GLN 92 Ca 0.15 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 5cyt h GLN 92 Cb 0.56 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 5cyt h GLN 92 CO 0.03 0.92 0.16 -0.44 -0.67 0.00 0.00 178.83 178.83 5cyt h ASP 93 N 0.86 0.45 -0.73 1.46 3.32 -0.95 -1.27 116.42 119.57 5cyt h ASP 93 Ca 0.16 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.09 5cyt h ASP 93 Cb 0.49 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 5cyt h ASP 93 CO 0.02 0.45 0.46 0.25 -1.72 0.00 0.00 179.24 178.71 5cyt h LEU 94 N 0.42 0.85 -0.73 1.55 5.85 -0.94 -0.49 115.31 121.82 5cyt h LEU 94 Ca 0.12 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 5cyt h LEU 94 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 5cyt h LEU 94 CO -0.01 0.63 -0.57 0.58 -0.34 0.00 0.00 178.44 178.73 5cyt h VAL 95 N 0.99 1.38 -0.76 1.05 2.07 -0.95 -0.22 116.25 119.81 5cyt h VAL 95 Ca 0.26 -1.91 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 5cyt h VAL 95 Cb -0.08 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 5cyt h VAL 95 CO -0.05 0.56 0.29 0.00 0.02 0.00 0.00 177.57 178.39 5cyt h ALA 96 N 1.26 0.99 -0.25 1.67 0.00 -0.83 0.03 119.26 122.12 5cyt h ALA 96 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 5cyt h ALA 96 Cb 1.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 5cyt h ALA 96 CO 0.09 0.62 -0.00 -0.92 0.00 0.00 0.00 179.25 179.03 5cyt h TYR 97 N 1.10 0.48 -0.88 0.00 3.20 -0.71 -2.49 116.97 117.67 5cyt h TYR 97 Ca 0.25 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.06 5cyt h TYR 97 Cb 0.23 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 5cyt h TYR 97 CO 0.02 0.61 0.58 -0.07 -1.64 0.00 0.00 178.16 177.66 5cyt h LEU 98 N 0.22 0.98 -1.16 2.82 3.38 -0.73 0.17 115.31 120.99 5cyt h LEU 98 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 5cyt h LEU 98 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 5cyt h LEU 98 CO 0.01 0.69 0.11 0.50 0.09 0.00 0.00 178.44 179.85 5cyt h LYS 99 N 1.15 0.70 -0.02 1.13 3.64 -0.90 -2.13 116.57 120.14 5cyt h LYS 99 Ca 0.34 -0.13 -0.22 0.00 -1.27 0.00 0.00 60.65 59.36 5cyt h LYS 99 Cb -0.06 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 5cyt h LYS 99 CO -0.09 0.64 -0.91 1.03 -2.27 0.00 0.00 179.45 177.84 5cyt h SER 100 N 0.68 0.60 0.72 4.20 0.87 -0.68 -3.33 113.55 116.62 5cyt h SER 100 Ca 0.15 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 5cyt h SER 100 Cb 0.26 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 5cyt h SER 100 CO -0.00 1.25 -0.70 0.00 -0.53 0.00 0.00 176.83 176.86 5cyt n ALA 101 N -2.55 3.10 -0.68 6.23 0.00 0.44 -4.28 120.51 122.76 5cyt n ALA 101 Ca -0.07 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.15 5cyt n ALA 101 Cb 0.82 -1.12 0.21 0.00 0.00 0.00 0.00 19.45 19.36 5cyt n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 5cyt n THR 102 N -2.00 1.79 -1.70 0.00 -2.24 -0.83 -4.67 114.28 104.63 5cyt n THR 102 Ca 0.03 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 5cyt n THR 102 Cb 0.43 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 5cyt n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96