#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5g s LEU 3 N 0.00 4.31 0.41 -4.62 2.96 -1.26 -4.90 118.68 115.58 2f5g s LEU 3 Ca 0.00 2.80 0.05 0.00 -0.22 0.00 0.00 54.13 56.76 2f5g s LEU 3 Cb 0.00 -3.76 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 2f5g s LEU 3 CO 0.00 -0.78 0.02 -0.54 -1.32 0.00 0.00 176.35 173.73 2f5g s LYS 4 N -2.07 1.95 -0.03 1.98 1.02 0.09 -4.93 119.74 117.75 2f5g s LYS 4 Ca 0.53 -2.14 -0.03 0.00 0.02 0.00 0.00 55.97 54.36 2f5g s LYS 4 Cb -0.41 -1.41 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 2f5g s LYS 4 CO 0.55 -0.17 0.09 -1.54 -0.92 0.00 0.00 175.35 173.36 2f5g s SER 5 N -3.70 -0.09 0.00 2.83 1.04 -1.26 0.25 113.70 112.77 2f5g s SER 5 Ca 0.29 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2f5g s SER 5 Cb 0.08 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2f5g s SER 5 CO 0.14 -0.04 0.00 0.35 0.98 0.00 0.00 173.24 174.68 2f5g n THR 6 N 3.09 0.00 -0.15 2.02 -2.24 0.10 -4.96 114.28 112.15 2f5g n THR 6 Ca -0.13 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.58 2f5g n THR 6 Cb 0.59 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.39 2f5g n THR 6 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2f5g h ARG 7 N 0.00 -0.11 -0.72 -0.78 2.43 -2.05 -3.21 114.38 109.95 2f5g h ARG 7 Ca 0.00 0.01 -0.46 0.00 -0.81 0.00 0.00 59.98 58.71 2f5g h ARG 7 Cb 0.00 0.02 -0.42 0.00 -0.42 0.00 0.00 29.97 29.15 2f5g h ARG 7 CO 0.00 -0.07 -0.91 0.72 -1.51 0.00 0.00 179.97 178.20 2f5g n HIS 8 N -4.17 2.35 -3.78 2.20 -0.00 -1.26 -5.07 115.22 105.49 2f5g n HIS 8 Ca -0.00 -2.28 -0.10 0.00 -0.00 0.00 0.00 57.72 55.34 2f5g n HIS 8 Cb 0.16 -0.29 -0.07 0.00 -0.00 0.00 0.00 29.99 29.79 2f5g n HIS 8 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2f5g s THR 9 N -4.41 0.11 -0.09 1.59 -4.23 -1.21 -5.13 115.64 102.27 2f5g s THR 9 Ca 0.44 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 2f5g s THR 9 Cb 0.39 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 73.01 2f5g s THR 9 CO 0.00 -0.51 -0.19 -0.54 -0.54 0.00 0.00 174.62 172.84 2f5g s LYS 10 N -3.62 2.52 0.10 3.99 -0.14 -1.26 -0.72 119.74 120.61 2f5g s LYS 10 Ca 0.03 -0.70 -0.13 0.00 -1.36 0.00 0.00 55.97 53.81 2f5g s LYS 10 Cb 0.03 -1.96 0.02 0.00 -1.68 0.00 0.00 37.83 34.24 2f5g s LYS 10 CO -0.10 0.11 0.32 1.52 -0.76 0.00 0.00 175.35 176.44 2f5g s TYR 11 N 0.50 -0.08 -0.27 3.18 -0.85 0.14 -4.96 117.35 115.00 2f5g s TYR 11 Ca -0.17 -0.26 -0.02 0.00 -0.52 0.00 0.00 57.07 56.10 2f5g s TYR 11 Cb -0.17 0.14 0.12 0.00 0.38 0.00 0.00 41.96 42.42 2f5g s TYR 11 CO 0.06 -0.63 0.23 -1.17 -1.52 0.00 0.00 175.55 172.53 2f5g s LEU 12 N -2.75 0.01 -0.39 -3.49 1.98 -1.26 -0.73 118.68 112.04 2f5g s LEU 12 Ca 0.03 -0.81 0.02 0.00 -2.89 0.00 0.00 54.13 50.48 2f5g s LEU 12 Cb 0.03 0.24 0.11 0.00 0.66 0.00 0.00 46.19 47.23 2f5g s LEU 12 CO -0.11 -0.39 0.15 0.00 -1.89 0.00 0.00 176.35 174.10 2f5g s ASN 14 N 0.71 4.81 0.02 0.00 0.01 -1.26 -0.51 114.94 118.73 2f5g s ASN 14 Ca 0.13 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 2f5g s ASN 14 Cb -0.21 -1.39 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 2f5g s ASN 14 CO -0.09 0.32 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.46 2f5g s TYR 15 N -0.54 0.45 -0.21 2.20 1.51 -0.12 -1.21 117.35 119.43 2f5g s TYR 15 Ca 0.08 -0.30 -0.08 0.00 -1.01 0.00 0.00 57.07 55.76 2f5g s TYR 15 Cb -0.12 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 2f5g s TYR 15 CO 0.02 -0.06 0.09 -1.01 -1.11 0.00 0.00 175.55 173.47 2f5g s HIS 16 N -0.79 3.23 -0.04 2.71 3.76 0.34 -1.27 115.29 123.24 2f5g s HIS 16 Ca -0.06 0.02 0.07 0.00 -0.15 0.00 0.00 55.06 54.95 2f5g s HIS 16 Cb -0.06 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 2f5g s HIS 16 CO -0.00 0.05 -0.25 -0.06 -0.85 0.00 0.00 174.74 173.62 2f5g s PHE 17 N 0.74 2.36 -0.02 1.40 0.40 0.11 -1.73 117.98 121.24 2f5g s PHE 17 Ca 0.04 -0.57 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2f5g s PHE 17 Cb -0.13 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.89 2f5g s PHE 17 CO 0.02 -0.12 0.03 0.08 0.70 0.00 0.00 175.22 175.93 2f5g s VAL 18 N -0.40 -0.05 0.17 -0.44 1.01 -0.56 -0.41 120.40 119.73 2f5g s VAL 18 Ca 0.04 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 2f5g s VAL 18 Cb -0.12 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.21 2f5g s VAL 18 CO 0.01 0.07 0.43 -1.66 0.00 0.00 0.00 175.10 173.95 2f5g s TRP 19 N 0.85 -0.00 0.19 5.22 -2.14 -0.93 -0.69 118.94 121.43 2f5g s TRP 19 Ca -0.07 -0.34 0.08 0.00 2.66 0.00 0.00 56.10 58.43 2f5g s TRP 19 Cb -0.10 0.24 -0.04 0.00 -3.10 0.00 0.00 33.47 30.47 2f5g s TRP 19 CO -0.02 -0.81 -0.16 0.96 -2.66 0.00 0.00 176.95 174.25 2f5g s ILE 20 N -3.88 1.80 0.67 0.66 -4.36 -1.26 -0.97 121.20 113.86 2f5g s ILE 20 Ca 0.10 -2.10 -0.13 0.00 -0.26 0.00 0.00 60.65 58.25 2f5g s ILE 20 Cb 0.01 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.75 2f5g s ILE 20 CO -0.04 -0.48 1.08 -2.16 0.24 0.00 0.00 174.94 173.58 2f5g s PRO 21 N -3.30 2.84 -0.02 0.37 0.04 -1.26 -2.89 135.00 130.78 2f5g s PRO 21 Ca 0.20 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 2f5g s PRO 21 Cb -0.03 -1.97 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 2f5g s PRO 21 CO 0.07 -1.20 1.27 -0.22 0.04 0.00 0.00 177.00 176.96 2f5g h LYS 22 N -0.26 -0.02 0.00 4.56 3.64 -1.28 -3.42 116.57 119.79 2f5g h LYS 22 Ca -0.45 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.50 2f5g h LYS 22 Cb 1.23 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 2f5g h LYS 22 CO 0.55 0.45 -2.50 0.72 -2.27 0.00 0.00 179.45 176.40 2f5g n HIS 23 N -4.87 0.00 -4.81 1.91 8.25 -1.26 -4.92 115.22 109.51 2f5g n HIS 23 Ca -0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.10 2f5g n HIS 23 Cb 0.24 -0.99 -0.15 0.00 1.12 0.00 0.00 29.99 30.22 2f5g n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2f5g s ARG 24 N -2.51 1.59 0.00 -0.41 0.52 -1.26 -5.00 118.95 111.88 2f5g s ARG 24 Ca -0.37 -0.97 0.27 0.00 -0.52 0.00 0.00 55.73 54.15 2f5g s ARG 24 Cb 0.12 -1.69 1.52 0.00 0.52 0.00 0.00 34.95 35.41 2f5g s ARG 24 CO 0.54 0.44 1.95 0.54 0.02 0.00 0.00 175.30 178.79 2f5g n ARG 25 N 1.96 0.67 -0.95 3.54 1.74 -1.26 -2.85 116.66 119.51 2f5g n ARG 25 Ca -0.17 0.02 -0.03 0.00 -0.77 0.00 0.00 57.85 56.90 2f5g n ARG 25 Cb 0.53 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.63 2f5g n ARG 25 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2f5g n ASN 26 N -1.11 2.63 -0.01 0.55 6.94 -1.26 -2.70 115.26 120.31 2f5g n ASN 26 Ca 0.17 -3.85 -0.13 0.00 -0.02 0.00 0.00 54.58 50.75 2f5g n ASN 26 Cb 0.14 -0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 36.93 2f5g n ASN 26 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2f5g h THR 27 N 1.24 1.37 -2.08 5.53 2.02 -1.36 -3.39 112.91 116.23 2f5g h THR 27 Ca 0.13 -1.36 -0.72 0.00 0.77 0.00 0.00 66.41 65.23 2f5g h THR 27 Cb 1.24 2.26 -0.17 0.00 -1.74 0.00 0.00 68.15 69.74 2f5g h THR 27 CO 0.27 0.34 1.33 -0.76 0.37 0.00 0.00 175.52 177.07 2f5g s LEU 28 N -9.01 4.91 0.16 2.58 1.43 -0.83 -4.81 118.68 113.12 2f5g s LEU 28 Ca -0.16 -2.74 0.02 0.00 -1.03 0.00 0.00 54.13 50.22 2f5g s LEU 28 Cb 0.01 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 2f5g s LEU 28 CO 0.64 -0.86 -0.01 0.68 0.23 0.00 0.00 176.35 177.03 2f5g s VAL 29 N 2.09 0.71 0.00 -1.59 -7.23 -1.26 -3.38 120.40 109.74 2f5g s VAL 29 Ca 0.42 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2f5g s VAL 29 Cb -0.03 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.87 2f5g s VAL 29 CO -0.01 -0.55 0.00 0.59 -0.31 0.00 0.00 175.10 174.82 2f5g n ASN 30 N -0.21 0.00 -0.11 4.85 4.13 -1.26 -1.53 115.26 121.13 2f5g n ASN 30 Ca -0.08 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.23 2f5g n ASN 30 Cb 0.63 0.00 0.38 0.00 -1.54 0.00 0.00 39.78 39.24 2f5g n ASN 30 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2f5g h GLU 31 N 0.00 0.67 -0.54 3.52 3.07 -1.99 -1.98 114.58 117.32 2f5g h GLU 31 Ca 0.00 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 2f5g h GLU 31 Cb 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 2f5g h GLU 31 CO 0.00 0.44 0.14 0.82 -1.40 0.00 0.00 179.01 179.02 2f5g h ILE 32 N 0.69 1.24 -0.47 3.13 2.04 -1.63 -0.99 117.51 121.52 2f5g h ILE 32 Ca 0.24 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.14 2f5g h ILE 32 Cb 0.09 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2f5g h ILE 32 CO -0.06 0.31 -0.13 0.00 0.00 0.00 0.00 178.15 178.27 2f5g h ALA 33 N 1.02 0.64 -0.33 1.87 0.00 -1.03 -1.36 119.26 120.07 2f5g h ALA 33 Ca 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2f5g h ALA 33 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2f5g h ALA 33 CO -0.00 0.56 0.20 0.93 0.00 0.00 0.00 179.25 180.94 2f5g h GLU 34 N 0.76 0.45 -0.41 0.00 5.08 -1.19 -1.91 114.58 117.36 2f5g h GLU 34 Ca 0.12 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2f5g h GLU 34 Cb 0.69 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2f5g h GLU 34 CO 0.05 0.35 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.31 2f5g h TYR 35 N 0.43 0.89 -0.53 4.33 3.20 -1.13 -2.34 116.97 121.81 2f5g h TYR 35 Ca 0.12 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.81 2f5g h TYR 35 Cb 0.02 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2f5g h TYR 35 CO -0.04 0.91 0.35 1.15 -1.64 0.00 0.00 178.16 178.89 2f5g h THR 36 N 0.70 1.13 -0.83 1.81 2.02 -0.98 0.28 112.91 117.05 2f5g h THR 36 Ca 0.11 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2f5g h THR 36 Cb 0.68 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2f5g h THR 36 CO 0.05 0.13 0.37 0.50 0.37 0.00 0.00 175.52 176.94 2f5g h LYS 37 N 0.72 1.22 -0.10 6.66 3.64 -1.20 -1.32 116.57 126.17 2f5g h LYS 37 Ca 0.20 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2f5g h LYS 37 Cb -0.08 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 2f5g h LYS 37 CO -0.05 0.96 0.05 0.93 -2.27 0.00 0.00 179.45 179.07 2f5g h GLU 38 N 1.20 0.15 -0.35 1.90 5.08 -0.80 -2.13 114.58 119.63 2f5g h GLU 38 Ca 0.28 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2f5g h GLU 38 Cb 0.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2f5g h GLU 38 CO -0.03 0.24 -0.21 -0.39 -1.00 0.00 0.00 179.01 177.62 2f5g h VAL 39 N 0.03 1.27 -0.46 3.13 -1.51 -0.80 -1.48 116.25 116.42 2f5g h VAL 39 Ca 0.03 -1.28 -0.09 0.00 -1.23 0.00 0.00 66.70 64.14 2f5g h VAL 39 Cb 0.14 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 2f5g h VAL 39 CO -0.00 0.42 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.62 2f5g h LEU 40 N 0.60 0.80 -0.73 4.19 3.38 -1.18 -0.16 115.31 122.20 2f5g h LEU 40 Ca 0.09 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2f5g h LEU 40 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2f5g h LEU 40 CO 0.05 0.91 -0.23 0.11 0.09 0.00 0.00 178.44 179.37 2f5g h LYS 41 N 0.75 0.72 -0.49 1.13 1.57 -1.12 -1.61 116.57 117.52 2f5g h LYS 41 Ca 0.13 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 2f5g h LYS 41 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2f5g h LYS 41 CO 0.03 0.89 -0.09 0.77 -0.57 0.00 0.00 179.45 180.48 2f5g h SER 42 N 0.63 0.93 -0.69 0.86 0.02 -0.86 -1.88 113.55 112.57 2f5g h SER 42 Ca 0.09 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 2f5g h SER 42 Cb 0.72 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2f5g h SER 42 CO 0.06 1.06 0.13 0.40 -1.14 0.00 0.00 176.83 177.35 2f5g h ILE 43 N 0.79 1.26 -0.43 3.27 2.04 -0.85 0.42 117.51 124.02 2f5g h ILE 43 Ca 0.13 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.99 2f5g h ILE 43 Cb 0.64 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2f5g h ILE 43 CO 0.04 0.38 0.27 0.00 0.00 0.00 0.00 178.15 178.85 2f5g h ALA 44 N 1.06 0.54 -0.65 1.87 0.00 -1.12 -0.78 119.26 120.19 2f5g h ALA 44 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2f5g h ALA 44 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2f5g h ALA 44 CO 0.01 -0.04 0.31 1.49 0.00 0.00 0.00 179.25 181.02 2f5g h GLU 45 N 0.55 0.93 -0.98 0.00 4.22 -0.99 0.13 114.58 118.44 2f5g h GLU 45 Ca 0.16 -0.14 0.05 0.00 0.08 0.00 0.00 59.36 59.52 2f5g h GLU 45 Cb -0.03 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 28.99 2f5g h GLU 45 CO -0.05 0.74 0.63 1.49 -2.18 0.00 0.00 179.01 179.64 2f5g h GLU 46 N 0.89 1.15 -0.00 1.92 4.81 -0.31 -2.24 114.58 120.79 2f5g h GLU 46 Ca 0.22 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2f5g h GLU 46 Cb 0.12 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2f5g h GLU 46 CO -0.03 0.76 -0.17 1.28 -0.73 0.00 0.00 179.01 180.12 2f5g n LEU 47 N -4.50 0.66 0.00 1.64 4.77 -0.36 -4.93 117.00 114.29 2f5g n LEU 47 Ca 0.14 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2f5g n LEU 47 Cb 0.14 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2f5g n LEU 47 CO 0.33 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2f5g n GLY 48 N 1.31 0.38 3.93 -0.72 0.00 -0.68 -4.81 105.19 104.59 2f5g n GLY 48 Ca 0.13 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2f5g n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f5g s GLU 50 N -3.05 3.11 -0.04 0.00 2.12 0.60 -4.23 118.70 117.21 2f5g s GLU 50 Ca 0.36 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 2f5g s GLU 50 Cb -0.12 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2f5g s GLU 50 CO 0.28 -0.31 1.24 0.42 -0.54 0.00 0.00 175.26 176.35 2f5g s ILE 51 N 1.42 4.14 -0.13 -3.70 1.01 -1.26 -0.36 121.20 122.31 2f5g s ILE 51 Ca 0.03 1.48 -0.12 0.00 0.00 0.00 0.00 60.65 62.04 2f5g s ILE 51 Cb -0.16 -3.95 -0.25 0.00 0.01 0.00 0.00 42.46 38.12 2f5g s ILE 51 CO -0.03 -0.00 0.38 0.40 0.00 0.00 0.00 174.94 175.68 2f5g h ILE 52 N 4.98 0.76 -2.19 2.92 2.04 -0.76 -3.48 117.51 121.79 2f5g h ILE 52 Ca -0.35 -2.32 -0.06 0.00 1.00 0.00 0.00 64.86 63.13 2f5g h ILE 52 Cb 1.17 2.48 -0.21 0.00 -0.74 0.00 0.00 36.82 39.51 2f5g h ILE 52 CO 0.88 0.74 0.05 0.00 0.00 0.00 0.00 178.15 179.82 2f5g s ALA 53 N -2.50 -1.59 -0.08 1.87 0.00 -0.72 -5.01 121.76 113.71 2f5g s ALA 53 Ca -0.23 1.73 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 2f5g s ALA 53 Cb 0.06 -0.93 0.05 0.00 0.00 0.00 0.00 23.12 22.30 2f5g s ALA 53 CO 0.73 -0.31 0.15 -1.17 0.00 0.00 0.00 175.76 175.16 2f5g s LEU 54 N 0.15 -0.05 -0.19 0.00 2.96 -1.26 -0.16 118.68 120.13 2f5g s LEU 54 Ca -0.01 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2f5g s LEU 54 Cb -0.04 0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.87 2f5g s LEU 54 CO 0.02 -0.25 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.08 2f5g s GLU 55 N 2.28 3.24 -0.48 1.98 8.01 -0.14 -5.00 118.70 128.59 2f5g s GLU 55 Ca 0.03 -0.71 -0.04 0.00 0.01 0.00 0.00 54.97 54.26 2f5g s GLU 55 Cb -0.12 -2.79 0.13 0.00 -4.31 0.00 0.00 34.13 27.04 2f5g s GLU 55 CO -0.06 -0.13 0.30 0.08 0.01 0.00 0.00 175.26 175.46 2f5g s VAL 56 N 1.22 3.59 0.29 2.63 1.01 -1.26 -1.43 120.40 126.44 2f5g s VAL 56 Ca 0.02 -2.25 0.06 0.00 0.00 0.00 0.00 61.98 59.82 2f5g s VAL 56 Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2f5g s VAL 56 CO -0.05 -0.76 0.33 -0.04 0.00 0.00 0.00 175.10 174.58 2f5g s MET 57 N 0.86 3.07 0.35 2.72 -1.94 -0.29 -5.01 119.30 119.05 2f5g s MET 57 Ca 0.10 -1.02 0.12 0.00 -1.71 0.00 0.00 55.69 53.18 2f5g s MET 57 Cb -0.22 -2.69 0.93 0.00 2.01 0.00 0.00 34.83 34.85 2f5g s MET 57 CO -0.04 0.26 1.76 -1.35 -0.01 0.00 0.00 175.02 175.65 2f5g h PRO 58 N 1.21 0.55 -0.19 2.03 0.11 -1.81 -2.88 132.00 131.01 2f5g h PRO 58 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2f5g h PRO 58 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2f5g h PRO 58 CO 0.58 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 2f5g n ASP 59 N -4.74 2.69 -3.60 -2.05 5.75 -1.10 -1.97 116.55 111.54 2f5g n ASP 59 Ca 0.25 -2.22 -0.04 0.00 -0.01 0.00 0.00 54.79 52.77 2f5g n ASP 59 Cb 0.74 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 2f5g n ASP 59 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2f5g s HIS 60 N -1.40 -0.15 -0.07 2.11 -3.43 -1.09 -4.22 115.29 107.04 2f5g s HIS 60 Ca 0.19 0.05 0.04 0.00 -0.80 0.00 0.00 55.06 54.54 2f5g s HIS 60 Cb 0.12 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.81 2f5g s HIS 60 CO 0.09 -0.34 -0.19 0.42 -2.00 0.00 0.00 174.74 172.71 2f5g s ILE 61 N -2.63 1.66 -0.23 -5.38 1.01 -0.14 -1.13 121.20 114.36 2f5g s ILE 61 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2f5g s ILE 61 Cb 0.00 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 41.08 2f5g s ILE 61 CO -0.05 0.47 -0.11 -2.28 0.00 0.00 0.00 174.94 172.97 2f5g s HIS 62 N 0.26 2.83 -0.23 3.97 5.65 -0.51 -2.20 115.29 125.06 2f5g s HIS 62 Ca -0.12 -1.94 -0.02 0.00 0.25 0.00 0.00 55.06 53.23 2f5g s HIS 62 Cb -0.15 -1.79 0.01 0.00 -1.18 0.00 0.00 32.58 29.47 2f5g s HIS 62 CO 0.05 -0.82 -0.07 -1.17 -0.65 0.00 0.00 174.74 172.08 2f5g s LEU 63 N 1.25 2.92 -0.30 8.88 2.96 0.46 -0.96 118.68 133.88 2f5g s LEU 63 Ca -0.04 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 2f5g s LEU 63 Cb -0.18 -1.66 0.04 0.00 0.50 0.00 0.00 46.19 44.89 2f5g s LEU 63 CO -0.07 -0.07 0.02 0.12 -1.32 0.00 0.00 176.35 175.03 2f5g s PHE 64 N 1.38 3.21 0.04 5.38 5.36 0.77 0.04 117.98 134.15 2f5g s PHE 64 Ca 0.03 -1.60 0.02 0.00 -0.96 0.00 0.00 56.93 54.42 2f5g s PHE 64 Cb -0.15 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2f5g s PHE 64 CO -0.05 -0.75 -0.08 0.54 -1.46 0.00 0.00 175.22 173.42 2f5g s VAL 65 N 1.33 0.56 -0.23 3.12 0.11 -0.39 0.02 120.40 124.92 2f5g s VAL 65 Ca -0.02 -1.08 -0.10 0.00 -2.93 0.00 0.00 61.98 57.85 2f5g s VAL 65 Cb -0.19 -0.62 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 2f5g s VAL 65 CO -0.00 -0.37 0.13 0.21 -3.33 0.00 0.00 175.10 171.73 2f5g s ASN 66 N -1.58 5.92 0.14 3.54 3.84 0.51 -0.95 114.94 126.38 2f5g s ASN 66 Ca -0.10 0.08 0.04 0.00 0.21 0.00 0.00 52.86 53.09 2f5g s ASN 66 Cb -0.10 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.50 2f5g s ASN 66 CO 0.00 0.08 -0.09 0.00 -2.79 0.00 0.00 177.10 174.31 2f5g s PRO 68 N -3.78 3.34 0.00 0.00 0.02 -1.26 -4.28 135.00 129.04 2f5g s PRO 68 Ca 0.17 1.91 0.10 0.00 0.02 0.00 0.00 61.00 63.19 2f5g s PRO 68 Cb 0.03 -2.20 0.46 0.00 0.02 0.00 0.00 34.50 32.81 2f5g s PRO 68 CO 0.00 -0.93 1.25 -0.35 -0.33 0.00 0.00 177.00 176.64 2f5g n PRO 69 N -1.00 0.08 0.03 5.54 -0.04 -1.26 -2.92 135.00 135.43 2f5g n PRO 69 Ca 0.10 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 2f5g n PRO 69 Cb 0.48 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.90 2f5g n PRO 69 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2f5g n ARG 70 N -1.39 0.05 -4.08 0.54 1.85 -1.26 -4.79 116.66 107.59 2f5g n ARG 70 Ca 0.04 0.17 -0.35 0.00 -1.00 0.00 0.00 57.85 56.70 2f5g n ARG 70 Cb 0.10 -1.58 -0.09 0.00 -1.05 0.00 0.00 32.46 29.84 2f5g n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2f5g s TYR 71 N -3.05 3.30 0.24 2.89 2.02 -1.15 -5.09 117.35 116.52 2f5g s TYR 71 Ca 0.10 0.21 -0.25 0.00 -0.37 0.00 0.00 57.07 56.76 2f5g s TYR 71 Cb 0.13 -1.96 -0.09 0.00 -0.40 0.00 0.00 41.96 39.64 2f5g s TYR 71 CO 0.42 0.38 0.84 0.00 -1.57 0.00 0.00 175.55 175.61 2f5g s ALA 72 N -0.30 3.35 0.27 3.71 0.00 -1.26 -4.95 121.76 122.58 2f5g s ALA 72 Ca 0.09 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2f5g s ALA 72 Cb -0.12 -3.02 0.57 0.00 0.00 0.00 0.00 23.12 20.55 2f5g s ALA 72 CO 0.02 0.26 1.79 -1.35 0.00 0.00 0.00 175.76 176.47 2f5g h PRO 73 N 3.68 0.73 -0.15 0.00 0.11 -1.99 -0.79 132.00 133.60 2f5g h PRO 73 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2f5g h PRO 73 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2f5g h PRO 73 CO 0.66 0.48 -0.25 0.77 -0.21 0.00 0.00 178.00 179.45 2f5g h SER 74 N 0.75 0.27 -0.36 -2.05 0.02 -1.99 -1.08 113.55 109.11 2f5g h SER 74 Ca 0.49 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 2f5g h SER 74 Cb 0.65 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2f5g h SER 74 CO -0.34 0.53 -0.09 0.22 -1.14 0.00 0.00 176.83 176.02 2f5g h TYR 75 N 0.25 0.79 -0.16 3.45 3.20 -1.56 -1.70 116.97 121.24 2f5g h TYR 75 Ca 0.04 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 2f5g h TYR 75 Cb 0.59 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2f5g h TYR 75 CO 0.01 0.85 0.08 -0.07 -1.64 0.00 0.00 178.16 177.40 2f5g h LEU 76 N 0.50 0.20 -0.26 2.82 3.38 -0.90 0.08 115.31 121.12 2f5g h LEU 76 Ca 0.09 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2f5g h LEU 76 Cb 0.60 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2f5g h LEU 76 CO 0.04 0.24 0.09 0.00 0.09 0.00 0.00 178.44 178.90 2f5g h ALA 77 N 0.97 0.30 0.00 1.53 0.00 -1.16 0.13 119.26 121.02 2f5g h ALA 77 Ca 0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2f5g h ALA 77 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2f5g h ALA 77 CO -0.01 -0.31 -0.36 -0.91 0.00 0.00 0.00 179.25 177.65 2f5g h ASN 78 N 0.21 0.00 0.08 0.00 2.35 -1.16 -0.75 115.58 116.32 2f5g h ASN 78 Ca 0.11 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.73 2f5g h ASN 78 Cb 0.08 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.46 2f5g h ASN 78 CO -0.11 0.36 -0.59 0.22 -1.65 0.00 0.00 177.43 175.66 2f5g h TYR 79 N 0.00 0.43 -0.56 1.19 3.20 -0.57 0.18 116.97 120.85 2f5g h TYR 79 Ca -0.00 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.56 2f5g h TYR 79 Cb 0.75 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 2f5g h TYR 79 CO 0.00 1.20 0.32 0.74 -1.64 0.00 0.00 178.16 178.78 2f5g h PHE 80 N -0.45 0.76 -0.12 -3.82 0.04 -0.96 -0.45 116.94 111.93 2f5g h PHE 80 Ca -0.10 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 2f5g h PHE 80 Cb 1.42 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.33 2f5g h PHE 80 CO 0.20 0.54 -0.22 0.87 -0.60 0.00 0.00 178.31 179.10 2f5g h LYS 81 N 0.75 0.36 -0.25 1.51 1.57 -1.20 -2.64 116.57 116.67 2f5g h LYS 81 Ca 0.20 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2f5g h LYS 81 Cb 0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2f5g h LYS 81 CO -0.03 0.82 -0.01 0.78 -0.57 0.00 0.00 179.45 180.43 2f5g h GLY 82 N -0.06 0.49 1.45 3.86 0.00 -0.55 -1.74 103.07 106.52 2f5g h GLY 82 Ca 0.01 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 2f5g h GLY 82 CO 0.05 0.34 -0.77 1.70 0.00 0.00 0.00 176.54 177.86 2f5g h LYS 83 N 0.23 0.53 -0.61 4.80 3.64 -1.21 -2.50 116.57 121.45 2f5g h LYS 83 Ca 0.07 -0.45 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 2f5g h LYS 83 Cb 0.44 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2f5g h LYS 83 CO 0.02 1.07 -0.00 0.66 -2.27 0.00 0.00 179.45 178.93 2f5g h SER 84 N 0.36 1.04 -0.38 4.20 4.64 -1.50 -2.10 113.55 119.81 2f5g h SER 84 Ca -0.04 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2f5g h SER 84 Cb 1.36 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2f5g h SER 84 CO 0.14 1.09 0.24 0.00 -0.87 0.00 0.00 176.83 177.44 2f5g h ALA 85 N 1.01 0.48 -0.35 5.18 0.00 -1.28 0.27 119.26 124.57 2f5g h ALA 85 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2f5g h ALA 85 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2f5g h ALA 85 CO 0.03 -0.05 0.19 -0.09 0.00 0.00 0.00 179.25 179.34 2f5g h ARG 86 N 0.51 0.38 -0.35 0.00 2.43 -1.26 0.96 114.38 117.05 2f5g h ARG 86 Ca 0.14 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2f5g h ARG 86 Cb -0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2f5g h ARG 86 CO -0.03 0.25 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.41 2f5g h LEU 87 N 0.40 0.78 -0.34 3.80 3.38 -1.13 -2.26 115.31 119.95 2f5g h LEU 87 Ca 0.14 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2f5g h LEU 87 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2f5g h LEU 87 CO -0.08 1.04 -0.05 0.40 0.09 0.00 0.00 178.44 179.84 2f5g h ILE 88 N 0.54 1.27 -0.10 1.22 5.03 -0.29 -1.84 117.51 123.34 2f5g h ILE 88 Ca 0.07 -1.08 -0.05 0.00 -0.12 0.00 0.00 64.86 63.68 2f5g h ILE 88 Cb 0.76 1.28 -0.01 0.00 -3.03 0.00 0.00 36.82 35.82 2f5g h ILE 88 CO 0.06 0.35 -0.18 -0.07 -0.68 0.00 0.00 178.15 177.63 2f5g h LEU 89 N 0.43 0.16 -0.27 1.44 4.07 -0.83 0.18 115.31 120.48 2f5g h LEU 89 Ca 0.09 -0.03 -0.20 0.00 0.08 0.00 0.00 57.88 57.81 2f5g h LEU 89 Cb 0.53 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2f5g h LEU 89 CO 0.03 0.35 -0.71 0.50 -1.08 0.00 0.00 178.44 177.53 2f5g h LYS 90 N 0.15 0.71 0.00 1.13 3.64 -1.19 -3.24 116.57 117.78 2f5g h LYS 90 Ca 0.03 -0.54 -0.14 0.00 -1.27 0.00 0.00 60.65 58.72 2f5g h LYS 90 Cb 0.42 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2f5g h LYS 90 CO 0.03 1.16 -0.68 -0.22 -2.27 0.00 0.00 179.45 177.47 2f5g h LYS 91 N 0.50 0.00 -2.97 1.90 3.64 -0.98 -3.39 116.57 115.27 2f5g h LYS 91 Ca -0.03 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.73 2f5g h LYS 91 Cb 1.32 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.73 2f5g h LYS 91 CO 0.14 0.68 -0.70 -0.06 -2.27 0.00 0.00 179.45 177.24 2f5g s PHE 92 N -2.88 2.65 0.62 1.91 0.40 0.02 -4.97 117.98 115.74 2f5g s PHE 92 Ca 0.03 -2.90 0.30 0.00 -0.60 0.00 0.00 56.93 53.76 2f5g s PHE 92 Cb 0.08 -2.18 1.59 0.00 0.51 0.00 0.00 43.02 43.02 2f5g s PHE 92 CO 0.77 -0.68 1.95 -1.00 0.70 0.00 0.00 175.22 176.95 2f5g h PRO 93 N 5.93 0.00 0.00 0.24 0.13 -1.77 -1.15 132.00 135.39 2f5g h PRO 93 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2f5g h PRO 93 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2f5g h PRO 93 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 2f5g n GLN 94 N -3.38 0.21 0.00 0.86 0.00 -1.26 -1.75 117.38 112.06 2f5g n GLN 94 Ca 0.03 0.39 0.04 0.00 0.00 0.00 0.00 57.00 57.46 2f5g n GLN 94 Cb 0.48 -1.86 0.24 0.00 0.00 0.00 0.00 30.24 29.10 2f5g n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2f5g n LEU 95 N -2.24 0.00 0.00 2.61 4.77 -0.43 -4.54 117.00 117.17 2f5g n LEU 95 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2f5g n LEU 95 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2f5g n LEU 95 CO 0.22 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.08 2f5g n ASN 96 N -0.65 0.00 -0.92 -1.43 5.15 -0.72 -4.28 115.26 112.41 2f5g n ASN 96 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 2f5g n ASN 96 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 2f5g n ASN 96 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2f5g n LYS 97 N 0.00 -0.97 0.00 1.20 5.02 -1.26 -4.52 118.16 117.64 2f5g n LYS 97 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2f5g n LYS 97 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2f5g n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f5g n GLY 98 N -0.22 0.07 3.76 0.72 0.00 -1.26 -4.89 105.19 103.37 2f5g n GLY 98 Ca 0.00 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 2f5g n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f5g s LYS 99 N 0.00 3.47 0.01 1.61 -0.14 -1.26 -4.96 119.74 118.47 2f5g s LYS 99 Ca 0.00 2.04 -0.18 0.00 -1.36 0.00 0.00 55.97 56.47 2f5g s LYS 99 Cb 0.00 -2.37 -0.31 0.00 -1.68 0.00 0.00 37.83 33.47 2f5g s LYS 99 CO 0.00 -0.86 1.01 1.25 -0.76 0.00 0.00 175.35 175.98 2f5g h LEU 100 N 1.82 0.69 -9.87 3.17 5.85 -1.89 -3.43 115.31 111.65 2f5g h LEU 100 Ca -0.50 -0.88 -0.52 0.00 0.84 0.00 0.00 57.88 56.81 2f5g h LEU 100 Cb 1.27 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 2f5g h LEU 100 CO 0.59 1.51 -0.52 0.26 -0.34 0.00 0.00 178.44 179.95 2f5g s TRP 101 N -2.73 2.81 0.86 1.25 0.52 -1.26 -0.94 118.94 119.44 2f5g s TRP 101 Ca -0.11 -0.31 -0.12 0.00 0.02 0.00 0.00 56.10 55.58 2f5g s TRP 101 Cb 0.03 -1.63 0.14 0.00 -1.15 0.00 0.00 33.47 30.86 2f5g s TRP 101 CO 0.89 0.33 1.20 0.95 0.02 0.00 0.00 176.95 180.34 2f5g s THR 102 N -2.35 2.06 -1.55 2.01 -4.23 -1.14 -4.54 115.64 105.89 2f5g s THR 102 Ca 0.38 -0.10 0.28 0.00 -1.18 0.00 0.00 61.69 61.07 2f5g s THR 102 Cb -0.04 -2.96 0.37 0.00 1.34 0.00 0.00 72.50 71.21 2f5g s THR 102 CO 0.24 0.00 1.79 -1.14 -0.54 0.00 0.00 174.62 174.97 2f5g n ARG 103 N -3.42 0.59 -2.88 3.99 3.00 -1.26 -4.91 116.66 111.77 2f5g n ARG 103 Ca 0.12 -0.23 -0.23 0.00 -0.00 0.00 0.00 57.85 57.52 2f5g n ARG 103 Cb 0.60 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.58 2f5g n ARG 103 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2f5g s SER 104 N -2.57 5.71 -0.06 6.15 0.01 -1.26 -5.11 113.70 116.57 2f5g s SER 104 Ca 0.25 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.47 2f5g s SER 104 Cb 0.20 -1.41 0.11 0.00 0.21 0.00 0.00 66.02 65.12 2f5g s SER 104 CO 0.51 -0.81 0.95 -0.72 0.41 0.00 0.00 173.24 173.58 2f5g s TYR 105 N -2.62 -0.32 -0.08 2.43 -0.85 -1.26 -4.68 117.35 109.97 2f5g s TYR 105 Ca 0.50 0.27 0.00 0.00 -0.52 0.00 0.00 57.07 57.33 2f5g s TYR 105 Cb -0.10 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 2f5g s TYR 105 CO 0.38 -0.46 -0.07 0.12 -1.52 0.00 0.00 175.55 174.00 2f5g s PHE 106 N -2.66 2.93 -0.07 -3.49 2.19 0.13 -4.97 117.98 112.04 2f5g s PHE 106 Ca 0.04 -0.07 -0.03 0.00 0.33 0.00 0.00 56.93 57.20 2f5g s PHE 106 Cb -0.01 -1.74 0.04 0.00 -1.31 0.00 0.00 43.02 39.99 2f5g s PHE 106 CO -0.06 0.25 0.16 0.54 1.83 0.00 0.00 175.22 177.93 2f5g s VAL 107 N -0.59 -0.04 -0.08 3.12 0.11 -1.26 -1.50 120.40 120.15 2f5g s VAL 107 Ca 0.09 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 2f5g s VAL 107 Cb -0.12 -0.25 0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2f5g s VAL 107 CO 0.02 0.06 0.22 0.00 -3.33 0.00 0.00 175.10 172.07 2f5g s ALA 108 N 1.01 -0.52 0.60 1.54 0.00 -0.70 -4.97 121.76 118.71 2f5g s ALA 108 Ca -0.08 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.41 2f5g s ALA 108 Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2f5g s ALA 108 CO -0.05 -0.12 1.04 0.95 0.00 0.00 0.00 175.76 177.58 2f5g s THR 109 N 0.36 4.02 0.00 0.00 -4.23 -1.26 -0.51 115.64 114.03 2f5g s THR 109 Ca -0.02 0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 2f5g s THR 109 Cb -0.03 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 2f5g s THR 109 CO -0.02 -0.63 0.00 0.00 -0.54 0.00 0.00 174.62 173.44 2f5g s ALA 110 N -2.61 0.01 0.00 3.99 0.00 -0.35 -4.86 121.76 117.94 2f5g s ALA 110 Ca 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2f5g s ALA 110 Cb -0.14 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2f5g s ALA 110 CO 0.40 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2f5g n GLY 111 N 2.48 4.08 2.22 0.00 0.00 -1.26 -4.03 105.19 108.68 2f5g n GLY 111 Ca -0.17 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 2f5g n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2f5g n ASN 112 N 0.00 0.24 -4.77 1.61 4.13 -1.26 -5.12 115.26 110.09 2f5g n ASN 112 Ca 0.00 -2.85 -0.40 0.00 1.68 0.00 0.00 54.58 53.01 2f5g n ASN 112 Cb 0.00 -0.49 0.01 0.00 -1.54 0.00 0.00 39.78 37.76 2f5g n ASN 112 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2f5g s VAL 113 N -1.53 2.15 0.37 2.41 0.11 -1.26 -5.00 120.40 117.66 2f5g s VAL 113 Ca 0.36 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.49 2f5g s VAL 113 Cb 0.24 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.95 2f5g s VAL 113 CO -0.10 0.03 0.67 -0.94 -3.33 0.00 0.00 175.10 171.42 2f5g s SER 114 N -0.42 6.42 0.43 3.54 1.04 -1.26 -4.98 113.70 118.48 2f5g s SER 114 Ca 0.57 0.87 0.16 0.00 0.48 0.00 0.00 55.95 58.04 2f5g s SER 114 Cb -0.44 -2.21 0.98 0.00 0.10 0.00 0.00 66.02 64.45 2f5g s SER 114 CO 0.58 -0.34 1.94 0.77 0.98 0.00 0.00 173.24 177.16 2f5g h SER 115 N 1.18 0.00 -0.59 7.02 4.64 -1.99 -2.52 113.55 121.29 2f5g h SER 115 Ca -0.48 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 2f5g h SER 115 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 2f5g h SER 115 CO 0.64 0.24 0.16 -0.33 -0.87 0.00 0.00 176.83 176.67 2f5g h GLU 116 N 0.00 0.97 -0.38 4.77 3.07 -1.98 0.23 114.58 121.26 2f5g h GLU 116 Ca -0.00 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.57 2f5g h GLU 116 Cb 0.46 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2f5g h GLU 116 CO 0.03 0.86 -0.05 0.28 -1.40 0.00 0.00 179.01 178.72 2f5g h VAL 117 N 0.93 1.27 -0.39 3.13 2.07 -1.86 -0.45 116.25 120.95 2f5g h VAL 117 Ca 0.20 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 2f5g h VAL 117 Cb 0.32 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2f5g h VAL 117 CO -0.00 0.37 0.03 0.40 0.02 0.00 0.00 177.57 178.39 2f5g h ILE 118 N 0.52 1.25 -0.56 4.57 2.04 -1.29 -1.03 117.51 123.02 2f5g h ILE 118 Ca 0.10 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2f5g h ILE 118 Cb 0.55 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2f5g h ILE 118 CO 0.03 0.32 0.34 0.50 0.00 0.00 0.00 178.15 179.34 2f5g h LYS 119 N 0.51 0.75 -0.54 2.37 3.64 -0.43 -1.55 116.57 121.32 2f5g h LYS 119 Ca 0.12 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2f5g h LYS 119 Cb 0.42 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2f5g h LYS 119 CO 0.01 0.53 0.31 -0.22 -2.27 0.00 0.00 179.45 177.82 2f5g h LYS 120 N 0.75 0.75 -0.27 1.90 3.64 -0.93 -1.78 116.57 120.63 2f5g h LYS 120 Ca 0.20 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2f5g h LYS 120 Cb -0.03 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2f5g h LYS 120 CO -0.04 0.56 0.09 -0.92 -2.27 0.00 0.00 179.45 176.87 2f5g h TYR 121 N 0.73 0.16 -0.39 1.91 3.20 -0.72 0.33 116.97 122.19 2f5g h TYR 121 Ca 0.19 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.10 2f5g h TYR 121 Cb 0.02 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2f5g h TYR 121 CO -0.02 0.07 0.22 0.82 -1.64 0.00 0.00 178.16 177.61 2f5g h ILE 122 N 0.21 1.03 -0.47 1.81 2.04 -1.05 -0.92 117.51 120.15 2f5g h ILE 122 Ca 0.12 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2f5g h ILE 122 Cb 0.09 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2f5g h ILE 122 CO -0.13 0.08 -0.05 -0.33 0.00 0.00 0.00 178.15 177.73 2f5g h GLU 123 N 0.44 0.81 -0.67 2.37 4.39 -1.02 -2.15 114.58 118.75 2f5g h GLU 123 Ca 0.16 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 2f5g h GLU 123 Cb 0.02 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2f5g h GLU 123 CO -0.08 0.85 0.15 0.93 -1.16 0.00 0.00 179.01 179.69 2f5g h GLU 124 N 0.75 1.08 -0.45 2.33 4.39 -0.52 -0.08 114.58 122.08 2f5g h GLU 124 Ca 0.14 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 2f5g h GLU 124 Cb 0.52 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2f5g h GLU 124 CO 0.03 0.97 -0.15 1.96 -1.16 0.00 0.00 179.01 180.65 2f5g h GLN 125 N 1.02 0.85 -0.03 2.33 1.08 -0.89 -1.66 115.11 117.82 2f5g h GLN 125 Ca 0.21 -0.32 -0.15 0.00 -1.45 0.00 0.00 58.65 56.95 2f5g h GLN 125 Cb 0.38 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2f5g h GLN 125 CO 0.00 0.95 -0.65 -1.49 -0.95 0.00 0.00 178.83 176.69 2f5g h TRP 126 N 0.76 0.18 -0.30 2.96 4.06 -1.11 0.68 115.95 123.18 2f5g h TRP 126 Ca 0.12 -0.08 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 2f5g h TRP 126 Cb 0.67 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 2f5g h TRP 126 CO 0.04 0.75 -0.26 -0.09 -3.56 0.00 0.00 178.44 175.31 2f5g h ARG 127 N 0.10 0.61 0.17 0.49 2.43 -0.77 0.01 114.38 117.41 2f5g h ARG 127 Ca -0.01 -0.25 -0.29 0.00 -0.81 0.00 0.00 59.98 58.62 2f5g h ARG 127 Cb 1.17 -0.03 0.03 0.00 -0.42 0.00 0.00 29.97 30.72 2f5g h ARG 127 CO 0.09 0.81 -1.23 0.87 -1.51 0.00 0.00 179.97 179.00 2f5g h LYS 128 N 0.53 0.53 -0.16 0.20 1.57 -1.12 -3.36 116.57 114.76 2f5g h LYS 128 Ca 0.07 -0.80 -0.21 0.00 -1.87 0.00 0.00 60.65 57.84 2f5g h LYS 128 Cb 0.73 0.28 0.01 0.00 0.08 0.00 0.00 32.23 33.33 2f5g h LYS 128 CO 0.06 1.37 -0.72 1.49 -0.57 0.00 0.00 179.45 181.08 2f5g h GLU 129 N 0.09 0.76 0.00 3.15 4.57 -0.84 -3.50 114.58 118.81 2f5g h GLU 129 Ca -0.20 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 2f5g h GLU 129 Cb 1.94 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.66 2f5g h GLU 129 CO 0.23 1.22 0.00 0.41 -1.18 0.00 0.00 179.01 179.70 2f5g n GLY 130 N 0.68 -0.96 0.00 1.92 0.00 -0.02 -5.07 105.19 101.74 2f5g n GLY 130 Ca -0.07 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2f5g n GLY 130 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48