#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f4f s LEU 3 N 0.00 4.45 0.30 -4.62 1.43 -1.26 -4.86 118.68 114.12 2f4f s LEU 3 Ca 0.00 2.54 0.10 0.00 -1.03 0.00 0.00 54.13 55.75 2f4f s LEU 3 Cb 0.00 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2f4f s LEU 3 CO 0.00 -0.45 -0.09 -0.54 0.23 0.00 0.00 176.35 175.50 2f4f s LYS 4 N -1.38 1.92 0.04 1.70 1.02 -0.04 -4.93 119.74 118.07 2f4f s LYS 4 Ca 0.50 -1.73 0.06 0.00 0.02 0.00 0.00 55.97 54.81 2f4f s LYS 4 Cb -0.37 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2f4f s LYS 4 CO 0.47 0.25 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.87 2f4f s SER 5 N -3.61 1.91 0.00 2.83 0.01 -1.26 -0.20 113.70 113.38 2f4f s SER 5 Ca 0.32 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2f4f s SER 5 Cb -0.03 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2f4f s SER 5 CO 0.17 0.07 0.00 0.35 0.41 0.00 0.00 173.24 174.24 2f4f n THR 6 N 1.88 0.00 0.00 1.44 -2.24 0.22 -4.98 114.28 110.59 2f4f n THR 6 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2f4f n THR 6 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2f4f n THR 6 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2f4f n ARG 7 N 0.00 0.00 -2.77 -0.78 0.63 -1.26 -3.49 116.66 108.98 2f4f n ARG 7 Ca 0.00 0.60 -0.24 0.00 -0.92 0.00 0.00 57.85 57.28 2f4f n ARG 7 Cb 0.00 -1.11 -0.02 0.00 0.45 0.00 0.00 32.46 31.79 2f4f n ARG 7 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2f4f n HIS 8 N -1.41 3.10 -3.64 -0.14 1.44 -1.26 -5.05 115.22 108.25 2f4f n HIS 8 Ca 0.00 -3.54 -0.14 0.00 -2.01 0.00 0.00 57.72 52.03 2f4f n HIS 8 Cb 0.00 -0.32 -0.08 0.00 0.12 0.00 0.00 29.99 29.71 2f4f n HIS 8 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2f4f s THR 9 N -4.50 0.00 -0.11 0.61 2.01 -1.23 -5.13 115.64 107.30 2f4f s THR 9 Ca 0.45 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2f4f s THR 9 Cb 0.35 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.96 2f4f s THR 9 CO -0.13 -0.01 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.03 2f4f s LYS 10 N 0.18 2.87 0.09 4.92 -0.14 -1.26 -0.61 119.74 125.78 2f4f s LYS 10 Ca -0.01 -0.81 -0.15 0.00 -1.36 0.00 0.00 55.97 53.64 2f4f s LYS 10 Cb -0.04 -2.22 0.03 0.00 -1.68 0.00 0.00 37.83 33.92 2f4f s LYS 10 CO 0.02 0.11 0.35 1.52 -0.76 0.00 0.00 175.35 176.59 2f4f s TYR 11 N 0.50 -0.13 -0.29 3.18 -0.85 0.72 -4.97 117.35 115.51 2f4f s TYR 11 Ca -0.15 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 2f4f s TYR 11 Cb -0.17 0.17 0.14 0.00 0.38 0.00 0.00 41.96 42.48 2f4f s TYR 11 CO 0.06 -0.62 0.32 -1.17 -1.52 0.00 0.00 175.55 172.62 2f4f s LEU 12 N -2.57 -0.34 -0.33 -3.49 0.20 -1.26 -0.86 118.68 110.04 2f4f s LEU 12 Ca 0.01 -0.73 0.03 0.00 0.69 0.00 0.00 54.13 54.13 2f4f s LEU 12 Cb 0.02 0.62 0.10 0.00 -0.43 0.00 0.00 46.19 46.49 2f4f s LEU 12 CO -0.09 -0.38 0.05 0.00 -0.29 0.00 0.00 176.35 175.64 2f4f s ASN 14 N 1.02 4.57 0.01 0.00 0.01 -1.26 -0.82 114.94 118.47 2f4f s ASN 14 Ca 0.10 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.18 2f4f s ASN 14 Cb -0.19 -1.27 -0.01 0.00 0.41 0.00 0.00 41.25 40.19 2f4f s ASN 14 CO -0.10 0.32 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.45 2f4f s TYR 15 N -0.53 0.41 -0.21 2.20 1.51 -0.11 -1.32 117.35 119.30 2f4f s TYR 15 Ca 0.08 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.82 2f4f s TYR 15 Cb -0.12 -0.26 -0.05 0.00 -0.11 0.00 0.00 41.96 41.42 2f4f s TYR 15 CO 0.02 -0.04 0.17 -1.01 -1.11 0.00 0.00 175.55 173.57 2f4f s HIS 16 N -0.54 3.37 -0.11 2.71 3.76 0.25 -1.08 115.29 123.65 2f4f s HIS 16 Ca -0.03 0.32 0.03 0.00 -0.15 0.00 0.00 55.06 55.23 2f4f s HIS 16 Cb -0.04 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.41 2f4f s HIS 16 CO -0.00 0.17 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.78 2f4f s PHE 17 N 0.72 2.47 -0.02 1.40 0.40 0.14 -1.54 117.98 121.56 2f4f s PHE 17 Ca 0.09 -1.08 0.02 0.00 -0.60 0.00 0.00 56.93 55.36 2f4f s PHE 17 Cb -0.12 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.74 2f4f s PHE 17 CO 0.02 -0.46 -0.07 0.08 0.70 0.00 0.00 175.22 175.49 2f4f s VAL 18 N 0.52 0.59 0.18 -0.44 1.01 -0.05 -0.38 120.40 121.84 2f4f s VAL 18 Ca -0.15 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2f4f s VAL 18 Cb -0.17 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.73 2f4f s VAL 18 CO 0.05 0.19 0.55 -1.66 0.00 0.00 0.00 175.10 174.23 2f4f s TRP 19 N 0.14 -0.30 0.22 5.22 -2.14 -1.07 -0.40 118.94 120.62 2f4f s TRP 19 Ca -0.02 0.00 0.11 0.00 2.66 0.00 0.00 56.10 58.86 2f4f s TRP 19 Cb -0.06 0.47 -0.05 0.00 -3.10 0.00 0.00 33.47 30.72 2f4f s TRP 19 CO -0.00 -0.89 -0.22 0.96 -2.66 0.00 0.00 176.95 174.15 2f4f s ILE 20 N -3.82 2.31 0.55 0.66 -4.36 -1.26 -1.17 121.20 114.11 2f4f s ILE 20 Ca 0.05 -2.15 -0.19 0.00 -0.26 0.00 0.00 60.65 58.10 2f4f s ILE 20 Cb -0.01 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 2f4f s ILE 20 CO -0.07 -0.25 1.11 -2.16 0.24 0.00 0.00 174.94 173.80 2f4f s PRO 21 N -3.00 3.34 0.00 0.37 0.04 -1.26 -3.37 135.00 131.12 2f4f s PRO 21 Ca 0.23 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2f4f s PRO 21 Cb -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2f4f s PRO 21 CO 0.11 -0.84 0.00 1.17 0.04 0.00 0.00 177.00 177.48 2f4f n LYS 22 N -1.46 0.00 0.00 4.56 4.81 0.27 -4.64 118.16 121.71 2f4f n LYS 22 Ca 0.11 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.67 2f4f n LYS 22 Cb 0.51 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.74 2f4f n LYS 22 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2f4f n HIS 23 N 0.00 0.00 -4.25 5.64 8.25 -1.26 -4.88 115.22 118.72 2f4f n HIS 23 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2f4f n HIS 23 Cb 0.00 -0.19 -0.13 0.00 1.12 0.00 0.00 29.99 30.80 2f4f n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2f4f s ARG 24 N -2.95 3.58 0.00 -0.41 0.52 -1.26 -4.97 118.95 113.46 2f4f s ARG 24 Ca 0.12 -0.55 0.24 0.00 -0.52 0.00 0.00 55.73 55.01 2f4f s ARG 24 Cb 0.17 -2.96 1.31 0.00 0.52 0.00 0.00 34.95 34.00 2f4f s ARG 24 CO 0.72 0.09 1.80 0.54 0.02 0.00 0.00 175.30 178.47 2f4f n ARG 25 N 3.97 0.54 -2.56 3.54 1.74 -1.26 -3.25 116.66 119.38 2f4f n ARG 25 Ca -0.17 0.03 -0.19 0.00 -0.77 0.00 0.00 57.85 56.75 2f4f n ARG 25 Cb 0.52 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 2f4f n ARG 25 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2f4f n ASN 26 N -1.15 3.22 -0.08 0.55 4.05 -1.26 -3.75 115.26 116.84 2f4f n ASN 26 Ca 0.15 -3.25 -0.08 0.00 0.45 0.00 0.00 54.58 51.85 2f4f n ASN 26 Cb 0.14 -0.49 -0.03 0.00 1.23 0.00 0.00 39.78 40.63 2f4f n ASN 26 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2f4f n THR 27 N -0.30 1.44 -2.04 -0.44 -1.04 -1.20 -4.66 114.28 106.05 2f4f n THR 27 Ca 0.25 0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 62.02 2f4f n THR 27 Cb 0.74 -2.34 -0.01 0.00 -1.82 0.00 0.00 70.33 66.90 2f4f n THR 27 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2f4f n LEU 28 N -4.57 5.55 -4.21 -4.42 4.77 -1.25 -4.71 117.00 108.16 2f4f n LEU 28 Ca -0.12 -3.86 -0.12 0.00 -0.03 0.00 0.00 56.01 51.88 2f4f n LEU 28 Cb 0.36 -1.65 -0.10 0.00 -2.33 0.00 0.00 43.42 39.70 2f4f n LEU 28 CO 0.13 0.37 -0.29 0.68 -1.33 0.00 0.00 177.39 176.95 2f4f s VAL 29 N 4.38 0.31 0.00 4.08 -7.23 -1.26 -3.62 120.40 117.06 2f4f s VAL 29 Ca 0.52 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2f4f s VAL 29 Cb 0.09 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2f4f s VAL 29 CO 0.01 -0.29 0.00 0.59 -0.31 0.00 0.00 175.10 175.10 2f4f n ASN 30 N -0.23 0.00 0.18 4.85 3.02 -1.26 -1.63 115.26 120.18 2f4f n ASN 30 Ca -0.03 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.58 2f4f n ASN 30 Cb 0.64 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.36 2f4f n ASN 30 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2f4f h GLU 31 N 0.00 0.16 -0.55 3.52 3.07 -1.99 -1.62 114.58 117.17 2f4f h GLU 31 Ca 0.00 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 2f4f h GLU 31 Cb 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2f4f h GLU 31 CO 0.00 0.15 -0.08 0.82 -1.40 0.00 0.00 179.01 178.50 2f4f h ILE 32 N 0.16 1.27 -0.37 3.13 2.04 -1.63 -0.89 117.51 121.21 2f4f h ILE 32 Ca 0.04 -1.23 -0.16 0.00 1.00 0.00 0.00 64.86 64.52 2f4f h ILE 32 Cb 0.07 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2f4f h ILE 32 CO -0.00 0.44 -0.38 0.00 0.00 0.00 0.00 178.15 178.20 2f4f h ALA 33 N 0.98 0.61 -0.54 1.87 0.00 -0.70 -1.42 119.26 120.07 2f4f h ALA 33 Ca 0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2f4f h ALA 33 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2f4f h ALA 33 CO 0.04 0.68 0.14 1.05 0.00 0.00 0.00 179.25 181.16 2f4f h GLU 34 N 0.74 0.86 -0.16 0.00 4.11 -1.08 -2.08 114.58 116.98 2f4f h GLU 34 Ca 0.06 -0.20 -0.09 0.00 0.07 0.00 0.00 59.36 59.19 2f4f h GLU 34 Cb 0.96 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2f4f h GLU 34 CO 0.09 0.81 -0.32 -0.92 0.07 0.00 0.00 179.01 178.74 2f4f h TYR 35 N 0.76 0.36 -0.62 2.06 3.20 -1.11 -2.44 116.97 119.18 2f4f h TYR 35 Ca 0.17 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2f4f h TYR 35 Cb 0.33 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2f4f h TYR 35 CO 0.02 0.60 0.21 1.15 -1.64 0.00 0.00 178.16 178.50 2f4f h THR 36 N 0.27 1.24 -0.50 1.81 2.02 -0.90 -1.21 112.91 115.64 2f4f h THR 36 Ca 0.04 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 2f4f h THR 36 Cb 0.70 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2f4f h THR 36 CO 0.05 0.31 0.05 0.11 0.37 0.00 0.00 175.52 176.41 2f4f h LYS 37 N 0.88 0.85 -0.13 6.66 1.57 -1.18 -1.88 116.57 123.33 2f4f h LYS 37 Ca 0.20 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2f4f h LYS 37 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2f4f h LYS 37 CO -0.01 0.86 0.04 1.49 -0.57 0.00 0.00 179.45 181.26 2f4f h GLU 38 N 0.72 0.10 -0.26 3.15 4.81 -1.22 -1.15 114.58 120.73 2f4f h GLU 38 Ca 0.15 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 2f4f h GLU 38 Cb 0.44 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2f4f h GLU 38 CO 0.02 0.07 -0.34 -0.39 -0.73 0.00 0.00 179.01 177.64 2f4f h VAL 39 N 0.11 1.29 -0.39 0.32 -1.51 -1.16 -1.11 116.25 113.79 2f4f h VAL 39 Ca 0.06 -1.45 -0.10 0.00 -1.23 0.00 0.00 66.70 63.97 2f4f h VAL 39 Cb 0.04 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.64 2f4f h VAL 39 CO -0.06 0.46 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.49 2f4f h LEU 40 N 0.47 0.74 -0.64 4.19 3.38 -1.17 -0.31 115.31 121.97 2f4f h LEU 40 Ca 0.05 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2f4f h LEU 40 Cb 0.81 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2f4f h LEU 40 CO 0.07 0.92 -0.04 0.11 0.09 0.00 0.00 178.44 179.59 2f4f h LYS 41 N 0.65 1.03 -0.78 1.13 1.57 -0.98 -1.61 116.57 117.59 2f4f h LYS 41 Ca 0.10 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2f4f h LYS 41 Cb 0.66 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2f4f h LYS 41 CO 0.05 1.03 0.29 1.03 -0.57 0.00 0.00 179.45 181.27 2f4f h SER 42 N 0.94 1.10 -0.43 0.86 0.87 -0.77 -1.78 113.55 114.34 2f4f h SER 42 Ca 0.16 -0.19 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 2f4f h SER 42 Cb 0.59 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2f4f h SER 42 CO 0.04 0.99 -0.31 0.40 -0.53 0.00 0.00 176.83 177.42 2f4f h ILE 43 N 1.15 1.27 -0.45 2.23 2.04 -0.88 -1.82 117.51 121.05 2f4f h ILE 43 Ca 0.26 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.65 2f4f h ILE 43 Cb 0.25 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2f4f h ILE 43 CO -0.02 0.50 0.27 0.00 0.00 0.00 0.00 178.15 178.90 2f4f h ALA 44 N 0.81 0.57 -0.72 1.87 0.00 -1.07 -1.51 119.26 119.22 2f4f h ALA 44 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2f4f h ALA 44 Cb 0.90 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2f4f h ALA 44 CO 0.08 -0.05 0.31 1.49 0.00 0.00 0.00 179.25 181.08 2f4f h GLU 45 N 0.53 1.05 -0.70 0.00 4.22 -1.20 0.80 114.58 119.27 2f4f h GLU 45 Ca 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 2f4f h GLU 45 Cb 0.01 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2f4f h GLU 45 CO -0.08 0.83 0.41 1.49 -2.18 0.00 0.00 179.01 179.48 2f4f h GLU 46 N 1.03 0.95 -0.20 1.92 4.81 -0.53 -2.54 114.58 120.02 2f4f h GLU 46 Ca 0.24 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2f4f h GLU 46 Cb 0.16 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2f4f h GLU 46 CO -0.03 0.68 0.00 1.28 -0.73 0.00 0.00 179.01 180.21 2f4f n LEU 47 N -4.39 2.14 -1.06 1.64 4.77 -0.64 -4.93 117.00 114.53 2f4f n LEU 47 Ca 0.07 -0.89 -0.11 0.00 -0.03 0.00 0.00 56.01 55.06 2f4f n LEU 47 Cb 0.08 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2f4f n LEU 47 CO 0.37 0.44 -0.12 0.61 -1.33 0.00 0.00 177.39 177.36 2f4f n GLY 48 N 1.23 0.38 3.91 -0.72 0.00 -0.73 -4.76 105.19 104.50 2f4f n GLY 48 Ca 0.17 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2f4f n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f4f s GLU 50 N -2.19 3.21 0.01 0.00 2.12 0.16 -4.20 118.70 117.82 2f4f s GLU 50 Ca 0.31 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 2f4f s GLU 50 Cb -0.13 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 2f4f s GLU 50 CO 0.22 -0.39 1.20 0.42 -0.54 0.00 0.00 175.26 176.17 2f4f s ILE 51 N 1.53 4.15 -0.17 -3.70 1.01 -1.26 -0.67 121.20 122.09 2f4f s ILE 51 Ca 0.03 1.52 -0.13 0.00 0.00 0.00 0.00 60.65 62.07 2f4f s ILE 51 Cb -0.17 -3.97 -0.23 0.00 0.01 0.00 0.00 42.46 38.10 2f4f s ILE 51 CO 0.03 0.06 0.27 -0.38 0.00 0.00 0.00 174.94 174.92 2f4f n ILE 52 N 4.25 1.67 -3.70 2.92 5.41 0.44 -4.93 119.36 125.42 2f4f n ILE 52 Ca 0.10 -0.38 -0.14 0.00 1.00 0.00 0.00 62.75 63.33 2f4f n ILE 52 Cb 0.46 -1.87 -0.09 0.00 -0.71 0.00 0.00 39.64 37.44 2f4f n ILE 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2f4f s ALA 53 N -2.47 -1.24 -0.04 -1.39 0.00 -0.82 -5.02 121.76 110.78 2f4f s ALA 53 Ca -0.26 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 2f4f s ALA 53 Cb 0.07 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.49 2f4f s ALA 53 CO 0.68 -0.25 0.02 -1.17 0.00 0.00 0.00 175.76 175.04 2f4f s LEU 54 N 0.09 0.74 -0.16 0.00 2.96 -1.26 -0.40 118.68 120.64 2f4f s LEU 54 Ca -0.01 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2f4f s LEU 54 Cb -0.03 -0.24 0.02 0.00 0.50 0.00 0.00 46.19 46.44 2f4f s LEU 54 CO 0.01 -0.17 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.11 2f4f s GLU 55 N 1.57 2.51 -0.43 1.98 2.02 0.04 -4.99 118.70 121.40 2f4f s GLU 55 Ca -0.02 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 2f4f s GLU 55 Cb -0.13 -2.26 0.11 0.00 0.10 0.00 0.00 34.13 31.96 2f4f s GLU 55 CO -0.03 -0.23 0.24 0.08 0.02 0.00 0.00 175.26 175.34 2f4f s VAL 56 N 1.42 3.46 0.29 2.63 1.01 -1.26 -0.80 120.40 127.15 2f4f s VAL 56 Ca 0.05 -2.04 0.07 0.00 0.00 0.00 0.00 61.98 60.06 2f4f s VAL 56 Cb -0.13 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2f4f s VAL 56 CO -0.11 -0.71 0.27 -0.04 0.00 0.00 0.00 175.10 174.50 2f4f s MET 57 N 1.14 2.92 0.38 2.72 -1.94 -0.13 -4.98 119.30 119.40 2f4f s MET 57 Ca 0.08 -1.11 0.13 0.00 -1.71 0.00 0.00 55.69 53.08 2f4f s MET 57 Cb -0.23 -2.58 0.94 0.00 2.01 0.00 0.00 34.83 34.96 2f4f s MET 57 CO -0.04 0.27 1.84 -1.35 -0.01 0.00 0.00 175.02 175.73 2f4f h PRO 58 N 1.33 0.55 -0.24 2.03 0.11 -1.82 -2.87 132.00 131.08 2f4f h PRO 58 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2f4f h PRO 58 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2f4f h PRO 58 CO 0.59 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 2f4f n ASP 59 N -4.58 2.67 -3.61 -2.05 5.75 -1.25 -3.95 116.55 109.54 2f4f n ASP 59 Ca 0.20 -1.80 -0.01 0.00 -0.01 0.00 0.00 54.79 53.16 2f4f n ASP 59 Cb 0.61 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.53 2f4f n ASP 59 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2f4f s HIS 60 N -1.05 -0.07 -0.07 2.11 -3.43 -1.08 -4.40 115.29 107.31 2f4f s HIS 60 Ca 0.22 0.02 0.05 0.00 -0.80 0.00 0.00 55.06 54.55 2f4f s HIS 60 Cb 0.13 0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 31.79 2f4f s HIS 60 CO 0.18 -0.17 -0.23 0.42 -2.00 0.00 0.00 174.74 172.94 2f4f s ILE 61 N -2.31 2.23 -0.26 -5.38 1.01 -0.32 -0.96 121.20 115.21 2f4f s ILE 61 Ca 0.12 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2f4f s ILE 61 Cb 0.02 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.73 2f4f s ILE 61 CO -0.04 0.57 -0.02 -2.28 0.00 0.00 0.00 174.94 173.17 2f4f s HIS 62 N -0.14 2.57 -0.27 3.97 2.46 0.02 -2.59 115.29 121.30 2f4f s HIS 62 Ca -0.04 -1.99 -0.06 0.00 0.47 0.00 0.00 55.06 53.44 2f4f s HIS 62 Cb -0.14 -1.85 0.01 0.00 -0.13 0.00 0.00 32.58 30.47 2f4f s HIS 62 CO 0.04 -0.82 0.04 -1.17 -2.47 0.00 0.00 174.74 170.36 2f4f s LEU 63 N 1.33 3.59 -0.30 8.88 2.96 0.49 -0.78 118.68 134.85 2f4f s LEU 63 Ca -0.01 -0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 53.19 2f4f s LEU 63 Cb -0.19 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.69 2f4f s LEU 63 CO -0.09 -0.15 0.08 0.12 -1.32 0.00 0.00 176.35 174.99 2f4f s PHE 64 N 1.48 3.17 0.02 5.38 5.36 0.47 0.27 117.98 134.12 2f4f s PHE 64 Ca 0.03 -1.13 0.01 0.00 -0.96 0.00 0.00 56.93 54.88 2f4f s PHE 64 Cb -0.17 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 40.25 2f4f s PHE 64 CO 0.01 -0.62 -0.04 0.54 -1.46 0.00 0.00 175.22 173.64 2f4f s VAL 65 N 1.46 0.24 -0.27 3.12 0.11 -0.24 -0.42 120.40 124.40 2f4f s VAL 65 Ca 0.01 -0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 58.18 2f4f s VAL 65 Cb -0.18 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 2f4f s VAL 65 CO 0.02 -0.34 0.21 0.21 -3.33 0.00 0.00 175.10 171.87 2f4f s ASN 66 N -1.17 6.08 0.16 3.54 3.84 0.16 -0.93 114.94 126.61 2f4f s ASN 66 Ca -0.11 0.06 0.07 0.00 0.21 0.00 0.00 52.86 53.10 2f4f s ASN 66 Cb -0.08 -2.13 -0.04 0.00 -0.55 0.00 0.00 41.25 38.45 2f4f s ASN 66 CO -0.00 -0.04 -0.15 0.00 -2.79 0.00 0.00 177.10 174.12 2f4f s PRO 68 N -3.17 2.82 0.00 0.00 0.02 -1.26 -4.30 135.00 129.12 2f4f s PRO 68 Ca 0.16 1.81 0.15 0.00 0.02 0.00 0.00 61.00 63.14 2f4f s PRO 68 Cb -0.03 -1.91 0.71 0.00 0.02 0.00 0.00 34.50 33.29 2f4f s PRO 68 CO 0.05 -1.32 1.45 -0.35 -0.33 0.00 0.00 177.00 176.50 2f4f n PRO 69 N -1.82 0.12 0.00 5.54 -0.04 -1.26 -3.05 135.00 134.49 2f4f n PRO 69 Ca 0.14 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 2f4f n PRO 69 Cb 0.50 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.97 2f4f n PRO 69 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2f4f n ARG 70 N -1.38 0.07 -4.12 0.54 1.85 -1.26 -4.77 116.66 107.59 2f4f n ARG 70 Ca 0.06 0.10 -0.35 0.00 -1.00 0.00 0.00 57.85 56.66 2f4f n ARG 70 Cb 0.14 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.96 2f4f n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2f4f s TYR 71 N -2.91 3.26 0.31 2.89 2.02 -1.17 -5.10 117.35 116.66 2f4f s TYR 71 Ca 0.13 0.14 -0.19 0.00 -0.37 0.00 0.00 57.07 56.79 2f4f s TYR 71 Cb 0.15 -1.97 -0.09 0.00 -0.40 0.00 0.00 41.96 39.65 2f4f s TYR 71 CO 0.40 0.31 0.80 0.00 -1.57 0.00 0.00 175.55 175.49 2f4f s ALA 72 N -0.17 3.28 0.30 3.71 0.00 -1.26 -4.93 121.76 122.69 2f4f s ALA 72 Ca 0.07 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2f4f s ALA 72 Cb -0.12 -2.91 0.62 0.00 0.00 0.00 0.00 23.12 20.71 2f4f s ALA 72 CO 0.01 0.27 1.85 -1.35 0.00 0.00 0.00 175.76 176.55 2f4f h PRO 73 N 2.67 0.89 -0.39 0.00 0.11 -1.99 -0.75 132.00 132.54 2f4f h PRO 73 Ca -0.48 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 2f4f h PRO 73 Cb 1.18 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2f4f h PRO 73 CO 0.64 0.59 -0.23 0.77 -0.21 0.00 0.00 178.00 179.56 2f4f h SER 74 N 0.92 0.80 -0.45 -2.05 0.02 -1.99 -0.28 113.55 110.52 2f4f h SER 74 Ca 0.48 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2f4f h SER 74 Cb 0.53 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2f4f h SER 74 CO -0.24 1.01 0.18 0.22 -1.14 0.00 0.00 176.83 176.86 2f4f h TYR 75 N 0.68 0.68 -0.14 3.45 3.20 -1.66 -1.42 116.97 121.76 2f4f h TYR 75 Ca 0.09 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2f4f h TYR 75 Cb 0.75 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2f4f h TYR 75 CO 0.04 0.58 0.04 -0.07 -1.64 0.00 0.00 178.16 177.11 2f4f h LEU 76 N 0.58 0.21 -0.28 2.82 3.38 -0.96 -1.48 115.31 119.58 2f4f h LEU 76 Ca 0.15 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2f4f h LEU 76 Cb 0.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2f4f h LEU 76 CO -0.01 0.37 0.12 0.00 0.09 0.00 0.00 178.44 179.01 2f4f h ALA 77 N 0.85 0.33 0.00 1.53 0.00 -0.94 -0.67 119.26 120.35 2f4f h ALA 77 Ca 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2f4f h ALA 77 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2f4f h ALA 77 CO -0.00 -0.28 -0.33 -0.91 0.00 0.00 0.00 179.25 177.73 2f4f h ASN 78 N 0.26 0.00 0.00 0.00 2.35 -1.22 0.14 115.58 117.11 2f4f h ASN 78 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2f4f h ASN 78 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2f4f h ASN 78 CO -0.10 0.33 -0.00 0.22 -1.65 0.00 0.00 177.43 176.23 2f4f h TYR 79 N 0.00 -0.00 -0.14 1.19 3.20 -0.77 0.13 116.97 120.58 2f4f h TYR 79 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2f4f h TYR 79 Cb 0.61 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2f4f h TYR 79 CO 0.00 0.56 0.08 0.74 -1.64 0.00 0.00 178.16 177.90 2f4f h PHE 80 N -0.56 0.20 -0.00 -3.82 0.04 -0.99 -0.93 116.94 110.87 2f4f h PHE 80 Ca -0.00 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2f4f h PHE 80 Cb 0.56 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 2f4f h PHE 80 CO 0.12 0.20 -0.00 0.87 -0.60 0.00 0.00 178.31 178.90 2f4f h LYS 81 N 0.13 0.00 -0.27 1.51 1.57 -1.04 -2.23 116.57 116.26 2f4f h LYS 81 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2f4f h LYS 81 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2f4f h LYS 81 CO -0.01 0.50 0.12 0.78 -0.57 0.00 0.00 179.45 180.27 2f4f h GLY 82 N -0.49 0.42 1.37 3.86 0.00 -0.78 -1.22 103.07 106.23 2f4f h GLY 82 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 2f4f h GLY 82 CO 0.00 0.21 -0.68 1.70 0.00 0.00 0.00 176.54 177.77 2f4f h LYS 83 N 0.29 0.63 -0.60 4.80 3.64 -1.28 -2.81 116.57 121.24 2f4f h LYS 83 Ca 0.09 -0.47 -0.09 0.00 -1.27 0.00 0.00 60.65 58.91 2f4f h LYS 83 Cb 0.15 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2f4f h LYS 83 CO -0.01 1.09 0.02 0.66 -2.27 0.00 0.00 179.45 178.95 2f4f h SER 84 N 0.45 1.02 -0.58 4.20 4.64 -1.36 -2.52 113.55 119.41 2f4f h SER 84 Ca -0.02 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2f4f h SER 84 Cb 1.27 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 2f4f h SER 84 CO 0.13 1.07 0.31 0.00 -0.87 0.00 0.00 176.83 177.47 2f4f h ALA 85 N 0.99 0.74 -0.42 5.18 0.00 -1.21 0.69 119.26 125.24 2f4f h ALA 85 Ca 0.17 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2f4f h ALA 85 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2f4f h ALA 85 CO 0.03 0.27 0.24 -0.09 0.00 0.00 0.00 179.25 179.69 2f4f h ARG 86 N 0.78 0.47 -0.31 0.00 1.12 -1.37 -0.57 114.38 114.50 2f4f h ARG 86 Ca 0.20 -0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.95 2f4f h ARG 86 Cb 0.06 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 2f4f h ARG 86 CO -0.03 0.31 -0.16 -0.07 -3.11 0.00 0.00 179.97 176.91 2f4f h LEU 87 N 0.48 0.68 -0.32 3.80 3.38 -1.13 -1.85 115.31 120.36 2f4f h LEU 87 Ca 0.17 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2f4f h LEU 87 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2f4f h LEU 87 CO -0.08 0.94 0.04 0.40 0.09 0.00 0.00 178.44 179.83 2f4f h ILE 88 N 0.42 1.24 -0.22 1.22 2.04 -0.72 -1.44 117.51 120.04 2f4f h ILE 88 Ca 0.07 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 2f4f h ILE 88 Cb 0.69 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2f4f h ILE 88 CO 0.05 0.28 -0.28 -0.07 0.00 0.00 0.00 178.15 178.13 2f4f h LEU 89 N 0.35 0.43 -0.94 1.44 3.38 -1.14 -1.63 115.31 117.20 2f4f h LEU 89 Ca 0.10 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2f4f h LEU 89 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2f4f h LEU 89 CO 0.01 0.70 -0.33 0.50 0.09 0.00 0.00 178.44 179.41 2f4f h LYS 90 N 0.37 0.37 0.17 1.13 3.64 -1.17 -3.25 116.57 117.84 2f4f h LYS 90 Ca 0.05 -0.16 -0.31 0.00 -1.27 0.00 0.00 60.65 58.97 2f4f h LYS 90 Cb 0.68 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2f4f h LYS 90 CO 0.05 0.66 -1.33 -0.22 -2.27 0.00 0.00 179.45 176.34 2f4f h LYS 91 N 0.32 0.54 -4.33 1.90 3.64 -0.86 -3.42 116.57 114.34 2f4f h LYS 91 Ca 0.04 -0.81 -0.69 0.00 -1.27 0.00 0.00 60.65 57.92 2f4f h LYS 91 Cb 0.74 0.29 -0.35 0.00 -0.41 0.00 0.00 32.23 32.49 2f4f h LYS 91 CO 0.06 1.37 -0.54 -0.06 -2.27 0.00 0.00 179.45 178.01 2f4f s PHE 92 N -2.79 3.57 0.25 1.91 0.40 -0.65 -4.98 117.98 115.69 2f4f s PHE 92 Ca -0.08 -2.54 -0.03 0.00 -0.60 0.00 0.00 56.93 53.68 2f4f s PHE 92 Cb 0.05 -3.18 0.51 0.00 0.51 0.00 0.00 43.02 40.91 2f4f s PHE 92 CO 0.93 -0.94 1.72 -1.35 0.70 0.00 0.00 175.22 176.28 2f4f h PRO 93 N 7.81 0.43 0.00 0.24 0.11 -1.83 -1.87 132.00 136.89 2f4f h PRO 93 Ca -0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2f4f h PRO 93 Cb 1.03 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2f4f h PRO 93 CO 0.68 0.28 0.02 0.00 -0.21 0.00 0.00 178.00 178.78 2f4f n GLN 94 N -5.01 0.00 0.00 1.05 10.64 -1.26 -3.81 117.38 118.99 2f4f n GLN 94 Ca 0.16 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 2f4f n GLN 94 Cb 0.46 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 2f4f n GLN 94 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2f4f n LEU 95 N -0.99 0.00 -1.57 2.61 4.77 -0.70 -4.88 117.00 116.25 2f4f n LEU 95 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2f4f n LEU 95 Cb 0.02 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2f4f n LEU 95 CO 0.00 0.00 -0.08 -3.20 -1.33 0.00 0.00 177.39 172.78 2f4f n ASN 96 N 0.00 -2.27 -2.16 -1.43 2.85 -1.25 -4.76 115.26 106.25 2f4f n ASN 96 Ca 0.00 0.22 -0.28 0.00 -0.11 0.00 0.00 54.58 54.42 2f4f n ASN 96 Cb 0.00 -2.22 0.12 0.00 1.24 0.00 0.00 39.78 38.92 2f4f n ASN 96 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2f4f n LYS 97 N -1.84 2.56 0.00 1.20 5.02 -1.26 -5.03 118.16 118.82 2f4f n LYS 97 Ca -0.08 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 52.92 2f4f n LYS 97 Cb 0.34 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 2f4f n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f4f n GLY 98 N -0.99 0.26 3.77 0.72 0.00 -1.26 -5.10 105.19 102.59 2f4f n GLY 98 Ca 0.57 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 2f4f n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f4f s LYS 99 N 0.00 4.47 -0.04 1.61 -0.14 -1.26 -4.98 119.74 119.40 2f4f s LYS 99 Ca 0.00 1.61 -0.20 0.00 -1.36 0.00 0.00 55.97 56.02 2f4f s LYS 99 Cb 0.00 -2.90 -0.32 0.00 -1.68 0.00 0.00 37.83 32.93 2f4f s LYS 99 CO 0.00 0.11 0.88 1.25 -0.76 0.00 0.00 175.35 176.82 2f4f h LEU 100 N 3.26 0.53-10.26 3.17 5.85 -1.99 -3.42 115.31 112.46 2f4f h LEU 100 Ca -0.47 -0.94 -0.48 0.00 0.84 0.00 0.00 57.88 56.83 2f4f h LEU 100 Cb 1.21 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2f4f h LEU 100 CO 0.65 1.48 -0.34 0.26 -0.34 0.00 0.00 178.44 180.15 2f4f s TRP 101 N -2.47 2.67 0.75 1.25 0.23 -1.26 0.96 118.94 121.06 2f4f s TRP 101 Ca -0.13 -0.49 -0.03 0.00 -2.03 0.00 0.00 56.10 53.42 2f4f s TRP 101 Cb 0.02 -2.22 0.13 0.00 0.03 0.00 0.00 33.47 31.43 2f4f s TRP 101 CO 0.85 -0.23 1.03 0.95 0.96 0.00 0.00 176.95 180.50 2f4f s THR 102 N -2.46 2.15 -2.16 2.01 -4.23 -1.22 -4.49 115.64 105.24 2f4f s THR 102 Ca 0.50 -0.50 0.17 0.00 -1.18 0.00 0.00 61.69 60.68 2f4f s THR 102 Cb -0.05 -2.65 0.41 0.00 1.34 0.00 0.00 72.50 71.56 2f4f s THR 102 CO 0.29 0.00 1.42 -1.14 -0.54 0.00 0.00 174.62 174.65 2f4f n ARG 103 N -2.94 1.91 -4.10 3.99 0.63 -1.26 -4.90 116.66 109.98 2f4f n ARG 103 Ca 0.14 -1.40 -0.24 0.00 -0.92 0.00 0.00 57.85 55.43 2f4f n ARG 103 Cb 0.60 -1.37 -0.05 0.00 0.45 0.00 0.00 32.46 32.09 2f4f n ARG 103 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2f4f s SER 104 N -1.29 5.47 0.11 6.15 0.15 -1.26 -5.13 113.70 117.91 2f4f s SER 104 Ca 0.31 -0.20 -0.20 0.00 0.70 0.00 0.00 55.95 56.56 2f4f s SER 104 Cb 0.16 -1.40 0.05 0.00 -1.71 0.00 0.00 66.02 63.13 2f4f s SER 104 CO 0.23 0.03 0.50 -0.72 1.20 0.00 0.00 173.24 174.48 2f4f s TYR 105 N -1.91 -0.38 -0.07 3.44 -0.85 -1.26 -4.67 117.35 111.64 2f4f s TYR 105 Ca 0.32 0.22 0.04 0.00 -0.52 0.00 0.00 57.07 57.12 2f4f s TYR 105 Cb -0.09 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 2f4f s TYR 105 CO 0.24 -0.73 -0.19 0.12 -1.52 0.00 0.00 175.55 173.46 2f4f s PHE 106 N -3.35 2.59 -0.01 -3.49 2.19 0.46 -4.98 117.98 111.39 2f4f s PHE 106 Ca -0.00 -0.54 0.01 0.00 0.33 0.00 0.00 56.93 56.73 2f4f s PHE 106 Cb 0.00 -1.66 0.00 0.00 -1.31 0.00 0.00 43.02 40.06 2f4f s PHE 106 CO -0.09 -0.10 -0.03 0.54 1.83 0.00 0.00 175.22 177.37 2f4f s VAL 107 N -0.22 0.32 -0.06 3.12 0.11 -1.26 -0.87 120.40 121.54 2f4f s VAL 107 Ca -0.01 -0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2f4f s VAL 107 Cb -0.13 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2f4f s VAL 107 CO 0.03 0.11 0.14 0.00 -3.33 0.00 0.00 175.10 172.05 2f4f s ALA 108 N 0.19 -0.21 0.64 1.54 0.00 -0.59 -4.96 121.76 118.37 2f4f s ALA 108 Ca -0.02 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.41 2f4f s ALA 108 Cb -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2f4f s ALA 108 CO -0.00 -0.23 1.10 0.95 0.00 0.00 0.00 175.76 177.58 2f4f s THR 109 N 1.37 3.33 0.01 0.00 -4.23 -1.26 -0.58 115.64 114.28 2f4f s THR 109 Ca -0.07 0.64 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 2f4f s THR 109 Cb -0.12 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 2f4f s THR 109 CO -0.06 -0.37 -0.04 0.00 -0.54 0.00 0.00 174.62 173.61 2f4f s ALA 110 N -2.32 0.32 0.00 3.99 0.00 -0.43 -4.86 121.76 118.46 2f4f s ALA 110 Ca 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2f4f s ALA 110 Cb -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2f4f s ALA 110 CO 0.40 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2f4f n GLY 111 N 2.59 3.90 2.45 0.00 0.00 -1.26 -4.07 105.19 108.81 2f4f n GLY 111 Ca -0.15 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 2f4f n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2f4f n ASN 112 N 0.00 -1.10 -4.69 1.61 4.13 -1.26 -5.12 115.26 108.83 2f4f n ASN 112 Ca 0.00 -2.57 -0.42 0.00 1.68 0.00 0.00 54.58 53.27 2f4f n ASN 112 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2f4f n ASN 112 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2f4f s VAL 113 N 0.07 2.80 0.38 2.41 1.01 -1.26 -4.99 120.40 120.82 2f4f s VAL 113 Ca 0.33 0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 2f4f s VAL 113 Cb 0.06 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 2f4f s VAL 113 CO -0.16 -0.00 0.82 -0.94 0.00 0.00 0.00 175.10 174.82 2f4f s SER 114 N 2.61 6.80 0.56 3.32 1.04 -1.26 -4.95 113.70 121.82 2f4f s SER 114 Ca 0.78 1.42 0.34 0.00 0.48 0.00 0.00 55.95 58.96 2f4f s SER 114 Cb -0.43 -2.43 1.62 0.00 0.10 0.00 0.00 66.02 64.88 2f4f s SER 114 CO 0.34 -0.29 2.09 0.77 0.98 0.00 0.00 173.24 177.13 2f4f h SER 115 N 1.98 0.00 -0.24 7.02 4.64 -2.00 -2.22 113.55 122.73 2f4f h SER 115 Ca -0.48 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 2f4f h SER 115 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2f4f h SER 115 CO 0.64 0.05 -0.46 -0.33 -0.87 0.00 0.00 176.83 175.86 2f4f h GLU 116 N 0.00 0.80 -0.51 4.77 3.07 -1.99 -0.16 114.58 120.57 2f4f h GLU 116 Ca -0.00 -0.46 -0.10 0.00 -0.50 0.00 0.00 59.36 58.30 2f4f h GLU 116 Cb 0.36 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 2f4f h GLU 116 CO 0.01 1.09 -0.08 0.28 -1.40 0.00 0.00 179.01 178.91 2f4f h VAL 117 N 0.64 1.26 -0.13 3.13 2.07 -1.80 -0.94 116.25 120.49 2f4f h VAL 117 Ca 0.04 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 2f4f h VAL 117 Cb 1.03 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2f4f h VAL 117 CO 0.10 0.42 -0.09 0.40 0.02 0.00 0.00 177.57 178.42 2f4f h ILE 118 N 0.84 1.33 -0.63 4.57 1.08 -1.36 -2.21 117.51 121.12 2f4f h ILE 118 Ca 0.14 -1.17 0.08 0.00 -0.39 0.00 0.00 64.86 63.52 2f4f h ILE 118 Cb 0.60 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 2f4f h ILE 118 CO 0.04 0.34 0.30 0.11 -0.69 0.00 0.00 178.15 178.25 2f4f h LYS 119 N -0.07 0.52 -0.74 2.37 1.57 -0.90 -1.91 116.57 117.40 2f4f h LYS 119 Ca 0.03 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2f4f h LYS 119 Cb 0.58 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2f4f h LYS 119 CO 0.02 0.34 0.33 -0.22 -0.57 0.00 0.00 179.45 179.36 2f4f h LYS 120 N 0.53 1.08 -0.71 3.15 3.64 -1.14 -1.42 116.57 121.70 2f4f h LYS 120 Ca 0.30 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2f4f h LYS 120 Cb 0.30 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2f4f h LYS 120 CO -0.24 0.86 0.31 -0.92 -2.27 0.00 0.00 179.45 177.18 2f4f h TYR 121 N 1.04 1.05 -0.22 1.91 3.20 -0.75 -0.41 116.97 122.81 2f4f h TYR 121 Ca 0.25 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2f4f h TYR 121 Cb 0.15 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2f4f h TYR 121 CO 0.01 0.80 0.09 0.82 -1.64 0.00 0.00 178.16 178.24 2f4f h ILE 122 N 1.00 1.16 -0.85 1.81 2.04 -1.09 -1.06 117.51 120.52 2f4f h ILE 122 Ca 0.24 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2f4f h ILE 122 Cb 0.17 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2f4f h ILE 122 CO -0.02 0.16 0.50 -0.33 0.00 0.00 0.00 178.15 178.46 2f4f h GLU 123 N 0.20 1.15 -0.47 2.37 5.08 -1.04 -2.18 114.58 119.70 2f4f h GLU 123 Ca 0.07 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2f4f h GLU 123 Cb 0.16 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2f4f h GLU 123 CO -0.01 0.81 -0.04 0.93 -1.00 0.00 0.00 179.01 179.70 2f4f h GLU 124 N 1.17 0.86 -0.71 2.33 5.08 -0.77 -1.31 114.58 121.22 2f4f h GLU 124 Ca 0.30 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2f4f h GLU 124 Cb -0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2f4f h GLU 124 CO -0.06 0.92 0.22 1.96 -1.00 0.00 0.00 179.01 181.05 2f4f h GLN 125 N 0.70 1.09 -0.26 2.33 1.08 -0.83 -0.52 115.11 118.70 2f4f h GLN 125 Ca 0.13 -0.23 -0.15 0.00 -1.45 0.00 0.00 58.65 56.95 2f4f h GLN 125 Cb 0.57 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2f4f h GLN 125 CO 0.03 0.93 -0.43 -1.49 -0.95 0.00 0.00 178.83 176.92 2f4f h TRP 126 N 1.05 0.79 -0.71 2.96 4.06 -1.31 0.97 115.95 123.75 2f4f h TRP 126 Ca 0.23 -0.24 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 2f4f h TRP 126 Cb 0.30 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 2f4f h TRP 126 CO 0.02 0.97 0.30 -0.09 -3.56 0.00 0.00 178.44 176.09 2f4f h ARG 127 N 0.53 1.06 0.00 0.49 2.43 -0.87 0.75 114.38 118.77 2f4f h ARG 127 Ca 0.04 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2f4f h ARG 127 Cb 0.97 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2f4f h ARG 127 CO 0.09 0.86 -0.00 -0.22 -1.51 0.00 0.00 179.97 179.19 2f4f h LYS 128 N 1.02 -0.00 0.04 0.20 3.64 -0.94 -3.36 116.57 117.17 2f4f h LYS 128 Ca 0.24 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.40 2f4f h LYS 128 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2f4f h LYS 128 CO -0.02 0.59 -1.00 0.93 -2.27 0.00 0.00 179.45 177.68 2f4f h GLU 129 N -0.60 0.22 0.00 1.90 4.39 -0.80 -3.51 114.58 116.19 2f4f h GLU 129 Ca -0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2f4f h GLU 129 Cb 0.60 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2f4f h GLU 129 CO 0.00 1.05 0.00 0.41 -1.16 0.00 0.00 179.01 179.31 2f4f n GLY 130 N 1.13 0.27 0.00 -3.84 0.00 0.25 -5.07 105.19 97.93 2f4f n GLY 130 Ca -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2f4f n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50