#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lo5 s THR 2 N 0.00 2.83 -0.14 1.12 2.01 -1.25 -4.78 115.64 115.44 3lo5 s THR 2 Ca 0.00 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 62.73 3lo5 s THR 2 Cb 0.00 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 69.12 3lo5 s THR 2 CO 0.00 0.09 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.23 3lo5 s GLU 3 N -2.26 1.78 -0.26 4.92 2.12 -1.26 0.10 118.70 123.84 3lo5 s GLU 3 Ca 0.57 -0.42 -0.08 0.00 0.36 0.00 0.00 54.97 55.39 3lo5 s GLU 3 Cb -0.35 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 3lo5 s GLU 3 CO 0.45 -0.29 0.10 0.71 -0.54 0.00 0.00 175.26 175.68 3lo5 s TYR 4 N 1.61 3.12 -0.46 5.30 2.02 0.25 -4.95 117.35 124.24 3lo5 s TYR 4 Ca 0.04 -0.29 -0.21 0.00 -0.37 0.00 0.00 57.07 56.23 3lo5 s TYR 4 Cb -0.13 -2.28 0.03 0.00 -0.40 0.00 0.00 41.96 39.18 3lo5 s TYR 4 CO -0.09 -0.31 0.71 0.15 -1.57 0.00 0.00 175.55 174.44 3lo5 s LYS 5 N 1.65 3.30 -0.10 -0.62 1.02 -1.26 -0.26 119.74 123.47 3lo5 s LYS 5 Ca 0.07 -0.36 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 3lo5 s LYS 5 Cb -0.15 -3.98 -0.03 0.00 -0.52 0.00 0.00 37.83 33.15 3lo5 s LYS 5 CO 0.05 -1.11 -0.00 -0.51 -0.92 0.00 0.00 175.35 172.86 3lo5 s LEU 6 N 3.03 3.55 -0.05 3.17 1.43 -0.22 -0.81 118.68 128.78 3lo5 s LEU 6 Ca 0.24 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 3lo5 s LEU 6 Cb -0.14 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3lo5 s LEU 6 CO 0.19 0.35 -0.22 -0.69 0.23 0.00 0.00 176.35 176.21 3lo5 s VAL 7 N -0.70 2.36 -0.24 -1.59 1.01 0.38 -2.45 120.40 119.16 3lo5 s VAL 7 Ca 0.11 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 3lo5 s VAL 7 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3lo5 s VAL 7 CO 0.02 0.57 0.02 -0.69 0.00 0.00 0.00 175.10 175.02 3lo5 s VAL 8 N -0.32 3.89 0.26 2.92 1.01 -1.26 -0.12 120.40 126.77 3lo5 s VAL 8 Ca 0.02 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3lo5 s VAL 8 Cb -0.13 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3lo5 s VAL 8 CO 0.02 0.38 -0.16 0.68 0.00 0.00 0.00 175.10 176.02 3lo5 s VAL 9 N 1.55 2.13 0.00 2.92 -7.23 0.49 -4.95 120.40 115.31 3lo5 s VAL 9 Ca 0.06 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 3lo5 s VAL 9 Cb -0.15 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3lo5 s VAL 9 CO 0.00 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 3lo5 n GLY 10 N -0.55 3.45 3.52 2.32 0.00 -1.26 -0.37 105.19 112.30 3lo5 n GLY 10 Ca -0.06 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 3lo5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lo5 n ALA 11 N -1.67 -0.67 -1.79 4.61 0.00 -1.26 -4.88 120.51 114.85 3lo5 n ALA 11 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3lo5 n ALA 11 Cb 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 3lo5 n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3lo5 s GLY 12 N -1.20 2.22 0.00 0.00 0.00 -1.26 -2.99 107.32 104.09 3lo5 s GLY 12 Ca 0.71 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.94 3lo5 s GLY 12 CO 0.52 2.46 0.00 0.61 0.00 0.00 0.00 173.10 176.69 3lo5 n GLY 13 N 2.07 0.70 0.15 0.20 0.00 -1.26 -4.94 105.19 102.10 3lo5 n GLY 13 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3lo5 n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3lo5 h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.47 116.25 110.99 3lo5 h VAL 14 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 3lo5 h VAL 14 Cb 0.00 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3lo5 h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3lo5 n GLY 15 N 1.18 1.62 0.20 5.19 0.00 -1.26 -4.61 105.19 107.50 3lo5 n GLY 15 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3lo5 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lo5 h LYS 16 N 0.00 0.42 -0.31 1.61 1.57 -1.90 0.78 116.57 118.74 3lo5 h LYS 16 Ca 0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3lo5 h LYS 16 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3lo5 h LYS 16 CO 0.00 0.28 -0.06 -0.97 -0.57 0.00 0.00 179.45 178.13 3lo5 h ASN 17 N 0.44 0.59 -0.85 0.86 -0.73 -1.98 -2.67 115.58 111.24 3lo5 h ASN 17 Ca 0.22 -0.35 -0.02 0.00 1.87 0.00 0.00 56.30 58.02 3lo5 h ASN 17 Cb 0.17 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 3lo5 h ASN 17 CO -0.18 0.81 0.47 0.00 -0.37 0.00 0.00 177.43 178.16 3lo5 h ALA 18 N 0.81 1.09 -0.73 1.57 0.00 -1.86 -0.46 119.26 119.67 3lo5 h ALA 18 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3lo5 h ALA 18 Cb 0.53 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3lo5 h ALA 18 CO 0.03 0.60 0.44 -0.07 0.00 0.00 0.00 179.25 180.24 3lo5 h LEU 19 N 1.19 0.88 -0.09 0.00 3.38 -0.81 -0.39 115.31 119.48 3lo5 h LEU 19 Ca 0.30 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3lo5 h LEU 19 Cb 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3lo5 h LEU 19 CO -0.05 0.69 -0.00 0.74 0.09 0.00 0.00 178.44 179.91 3lo5 h THR 20 N 1.00 1.26 -0.75 0.22 2.02 -1.05 -1.87 112.91 113.75 3lo5 h THR 20 Ca 0.26 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3lo5 h THR 20 Cb -0.03 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3lo5 h THR 20 CO -0.05 0.23 0.43 0.40 0.37 0.00 0.00 175.52 176.90 3lo5 h ILE 21 N -0.13 1.21 -0.72 3.11 1.08 -0.98 0.08 117.51 121.16 3lo5 h ILE 21 Ca 0.02 -0.50 -0.06 0.00 -0.39 0.00 0.00 64.86 63.93 3lo5 h ILE 21 Cb 0.37 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 3lo5 h ILE 21 CO 0.01 0.23 0.20 -0.61 -0.69 0.00 0.00 178.15 177.28 3lo5 h GLN 22 N 1.03 1.13 0.14 2.37 5.75 -0.96 0.26 115.11 124.84 3lo5 h GLN 22 Ca 0.27 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3lo5 h GLN 22 Cb -0.01 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.38 3lo5 h GLN 22 CO -0.05 0.98 -0.07 1.25 -2.65 0.00 0.00 178.83 178.29 3lo5 h LEU 23 N 1.08 -0.16 0.36 -2.39 5.85 -0.60 -1.75 115.31 117.70 3lo5 h LEU 23 Ca 0.23 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3lo5 h LEU 23 Cb 0.34 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3lo5 h LEU 23 CO -0.00 0.21 -0.17 0.40 -0.34 0.00 0.00 178.44 178.53 3lo5 h ILE 24 N -0.54 0.00 -0.01 4.05 1.08 -0.94 -3.37 117.51 117.78 3lo5 h ILE 24 Ca -0.02 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3lo5 h ILE 24 Cb 0.42 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 3lo5 h ILE 24 CO 0.03 0.00 -0.51 0.00 -0.69 0.00 0.00 178.15 176.98 3lo5 n GLN 25 N -4.40 0.58 -2.70 2.37 6.02 0.89 -4.98 117.38 115.17 3lo5 n GLN 25 Ca -0.06 -0.41 -0.16 0.00 -0.01 0.00 0.00 57.00 56.35 3lo5 n GLN 25 Cb 0.19 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 29.98 3lo5 n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3lo5 n ASN 26 N -0.85 -4.88 -3.75 1.08 3.02 -0.66 -4.98 115.26 104.25 3lo5 n ASN 26 Ca 0.08 -0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 3lo5 n ASN 26 Cb 0.37 -3.80 -0.05 0.00 -0.61 0.00 0.00 39.78 35.70 3lo5 n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3lo5 s HIS 27 N -2.96 -0.05 -0.03 3.10 -3.43 -1.26 -5.00 115.29 105.67 3lo5 s HIS 27 Ca 0.17 -0.29 0.02 0.00 -0.80 0.00 0.00 55.06 54.16 3lo5 s HIS 27 Cb -0.08 0.27 0.01 0.00 -1.43 0.00 0.00 32.58 31.35 3lo5 s HIS 27 CO 0.21 -0.82 -0.09 0.12 -2.00 0.00 0.00 174.74 172.16 3lo5 s PHE 28 N -3.87 1.04 -0.26 0.38 5.36 -1.26 -3.80 117.98 115.56 3lo5 s PHE 28 Ca 0.09 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 3lo5 s PHE 28 Cb 0.01 -0.75 0.07 0.00 -0.34 0.00 0.00 43.02 42.00 3lo5 s PHE 28 CO -0.05 -0.14 -0.02 0.08 -1.46 0.00 0.00 175.22 173.63 3lo5 s VAL 29 N 0.33 1.62 0.40 3.12 1.01 -1.26 -5.00 120.40 120.63 3lo5 s VAL 29 Ca -0.06 -1.46 0.08 0.00 0.00 0.00 0.00 61.98 60.55 3lo5 s VAL 29 Cb -0.10 -1.96 0.21 0.00 0.00 0.00 0.00 36.38 34.52 3lo5 s VAL 29 CO 0.01 -0.24 1.99 0.44 0.00 0.00 0.00 175.10 177.29 3lo5 h ASP 30 N 7.90 0.34 0.74 3.32 3.45 -2.01 -3.26 116.42 126.90 3lo5 h ASP 30 Ca -0.15 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.27 3lo5 h ASP 30 Cb 1.05 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.74 3lo5 h ASP 30 CO 0.44 0.36 -0.31 -1.84 -1.57 0.00 0.00 179.24 176.32 3lo5 n GLU 31 N -4.38 0.03 -3.93 3.56 0.00 -1.26 -4.95 120.64 109.71 3lo5 n GLU 31 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 57.16 57.18 3lo5 n GLU 31 Cb 0.17 -1.52 0.02 0.00 0.00 0.00 0.00 31.44 30.10 3lo5 n GLU 31 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 3lo5 s TYR 32 N -3.02 0.05 -0.40 -1.84 1.13 -1.23 -5.13 117.35 106.92 3lo5 s TYR 32 Ca 0.12 -0.33 -0.18 0.00 -1.41 0.00 0.00 57.07 55.26 3lo5 s TYR 32 Cb 0.18 0.64 0.01 0.00 -1.10 0.00 0.00 41.96 41.69 3lo5 s TYR 32 CO 0.64 -0.64 0.51 -0.51 -2.51 0.00 0.00 175.55 173.04 3lo5 s ASP 33 N -3.58 6.27 0.98 -0.18 1.01 -1.26 -4.72 116.67 115.19 3lo5 s ASP 33 Ca 0.25 -0.33 -0.11 0.00 0.71 0.00 0.00 52.55 53.07 3lo5 s ASP 33 Cb -0.02 -2.26 0.18 0.00 1.01 0.00 0.00 42.92 41.83 3lo5 s ASP 33 CO 0.03 -0.58 1.10 -2.84 0.21 0.00 0.00 175.17 173.09 3lo5 s PRO 34 N 2.40 0.54 -0.02 8.23 0.02 -1.26 -5.05 135.00 139.86 3lo5 s PRO 34 Ca 0.17 1.22 0.02 0.00 0.02 0.00 0.00 61.00 62.43 3lo5 s PRO 34 Cb -0.16 -1.70 0.01 0.00 0.02 0.00 0.00 34.50 32.67 3lo5 s PRO 34 CO 0.15 -2.85 -0.06 0.99 -0.33 0.00 0.00 177.00 174.90 3lo5 s THR 35 N -2.65 0.52 0.40 0.99 2.01 -1.26 -5.02 115.64 110.64 3lo5 s THR 35 Ca 0.66 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 62.32 3lo5 s THR 35 Cb -0.22 -0.49 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 3lo5 s THR 35 CO 0.60 0.18 0.81 0.27 -0.69 0.00 0.00 174.62 175.79 3lo5 s ILE 36 N 0.32 4.69 -0.71 1.82 -0.00 -1.26 -4.93 121.20 121.13 3lo5 s ILE 36 Ca -0.04 0.86 -0.05 0.00 -0.00 0.00 0.00 60.65 61.42 3lo5 s ILE 36 Cb -0.08 -3.69 -0.05 0.00 -0.00 0.00 0.00 42.46 38.64 3lo5 s ILE 36 CO -0.00 -0.45 1.96 -0.62 -0.00 0.00 0.00 174.94 175.83 3lo5 n GLU 37 N -1.07 1.71 -1.33 0.37 1.02 -1.26 -4.79 120.64 115.29 3lo5 n GLU 37 Ca 0.04 -1.24 0.03 0.00 -0.02 0.00 0.00 57.16 55.97 3lo5 n GLU 37 Cb 0.54 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.62 3lo5 n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3lo5 n ASP 38 N 4.15 -7.16 0.00 1.62 8.00 -1.26 -4.65 116.55 117.25 3lo5 n ASP 38 Ca 0.36 1.55 0.00 0.00 0.71 0.00 0.00 54.79 57.41 3lo5 n ASP 38 Cb 0.15 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.02 3lo5 n ASP 38 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3lo5 n SER 39 N -2.74 0.00 0.00 -2.24 3.41 -1.26 -4.84 113.62 105.95 3lo5 n SER 39 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3lo5 n SER 39 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3lo5 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lo5 n TYR 40 N 0.00 0.00 -0.30 7.33 9.36 -1.26 -4.74 117.16 127.55 3lo5 n TYR 40 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3lo5 n TYR 40 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3lo5 n TYR 40 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3lo5 n ARG 41 N 0.00 0.00 -4.64 2.98 1.74 -1.24 -4.98 116.66 110.51 3lo5 n ARG 41 Ca 0.00 0.16 -0.29 0.00 -0.77 0.00 0.00 57.85 56.95 3lo5 n ARG 41 Cb 0.00 -0.13 -0.17 0.00 -1.02 0.00 0.00 32.46 31.14 3lo5 n ARG 41 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3lo5 s LYS 42 N -1.63 2.38 -0.04 5.56 2.20 -0.61 -4.95 119.74 122.65 3lo5 s LYS 42 Ca 0.00 -0.63 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 3lo5 s LYS 42 Cb 0.00 -1.95 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 3lo5 s LYS 42 CO 0.00 0.00 0.85 -1.14 -0.36 0.00 0.00 175.35 174.70 3lo5 s GLN 43 N 0.79 4.50 -0.06 4.03 0.74 -1.26 -1.30 119.66 127.10 3lo5 s GLN 43 Ca -0.10 1.16 -0.23 0.00 0.05 0.00 0.00 55.36 56.24 3lo5 s GLN 43 Cb -0.16 -3.46 0.05 0.00 1.10 0.00 0.00 33.01 30.55 3lo5 s GLN 43 CO 0.01 -0.00 0.51 0.54 -0.55 0.00 0.00 175.29 175.80 3lo5 s VAL 44 N 0.94 0.02 -0.27 1.34 0.11 -0.33 -5.01 120.40 117.20 3lo5 s VAL 44 Ca 0.45 -0.19 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 3lo5 s VAL 44 Cb -0.19 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3lo5 s VAL 44 CO 0.23 -0.10 0.47 -0.69 -3.33 0.00 0.00 175.10 171.68 3lo5 s VAL 45 N -1.01 5.10 -0.18 2.04 1.01 -1.26 -1.08 120.40 125.02 3lo5 s VAL 45 Ca -0.10 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.61 3lo5 s VAL 45 Cb -0.03 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.58 3lo5 s VAL 45 CO 0.06 0.08 -0.16 -0.63 0.00 0.00 0.00 175.10 174.45 3lo5 s ILE 46 N 2.24 1.85 -1.47 2.22 1.01 0.28 -4.73 121.20 122.60 3lo5 s ILE 46 Ca 0.19 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 3lo5 s ILE 46 Cb -0.16 -1.73 0.06 0.00 0.01 0.00 0.00 42.46 40.64 3lo5 s ILE 46 CO 0.10 0.44 0.86 0.47 0.00 0.00 0.00 174.94 176.81 3lo5 n ASP 47 N 4.67 -3.41 0.00 3.58 8.00 -1.26 -1.40 116.55 126.74 3lo5 n ASP 47 Ca -0.19 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3lo5 n ASP 47 Cb 0.49 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 3lo5 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lo5 n GLY 48 N -1.67 2.72 3.63 0.44 0.00 -1.26 -4.99 105.19 104.06 3lo5 n GLY 48 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3lo5 n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lo5 s GLU 49 N -0.18 4.08 -0.21 1.61 2.12 -0.49 -5.04 118.70 120.59 3lo5 s GLU 49 Ca 0.00 0.21 -0.29 0.00 0.36 0.00 0.00 54.97 55.25 3lo5 s GLU 49 Cb 0.00 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3lo5 s GLU 49 CO 0.00 -0.25 1.08 0.99 -0.54 0.00 0.00 175.26 176.55 3lo5 s THR 50 N 1.97 4.60 0.19 -1.70 2.01 -1.26 -0.56 115.64 120.89 3lo5 s THR 50 Ca 0.19 1.93 -0.03 0.00 0.31 0.00 0.00 61.69 64.10 3lo5 s THR 50 Cb -0.15 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 3lo5 s THR 50 CO 0.09 -0.16 0.16 0.00 -0.69 0.00 0.00 174.62 174.02 3lo5 s LEU 52 N -3.12 2.90 -0.26 0.00 2.96 0.28 -1.19 118.68 120.25 3lo5 s LEU 52 Ca 0.33 -0.82 -0.21 0.00 -0.22 0.00 0.00 54.13 53.21 3lo5 s LEU 52 Cb 0.06 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 3lo5 s LEU 52 CO 0.09 -0.09 0.65 -0.76 -1.32 0.00 0.00 176.35 174.93 3lo5 s LEU 53 N 1.30 4.08 -0.49 -0.68 1.43 -0.42 -0.58 118.68 123.32 3lo5 s LEU 53 Ca 0.01 0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3lo5 s LEU 53 Cb -0.16 -2.88 0.13 0.00 0.03 0.00 0.00 46.19 43.31 3lo5 s LEU 53 CO -0.07 -0.41 0.34 -0.62 0.23 0.00 0.00 176.35 175.82 3lo5 s ASP 54 N 1.50 5.57 -0.40 2.29 2.15 0.64 -1.57 116.67 126.85 3lo5 s ASP 54 Ca 0.27 -2.11 -0.18 0.00 0.43 0.00 0.00 52.55 50.96 3lo5 s ASP 54 Cb -0.15 -1.95 0.01 0.00 -0.30 0.00 0.00 42.92 40.53 3lo5 s ASP 54 CO 0.09 -0.61 0.48 -0.63 -0.17 0.00 0.00 175.17 174.34 3lo5 s ILE 55 N 1.06 5.03 0.00 4.11 1.01 -1.26 -1.06 121.20 130.09 3lo5 s ILE 55 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3lo5 s ILE 55 Cb -0.24 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3lo5 s ILE 55 CO -0.02 -0.38 0.00 0.18 0.00 0.00 0.00 174.94 174.72 3lo5 n LEU 56 N 5.73 0.00 0.00 2.97 4.77 -1.03 -4.67 117.00 124.78 3lo5 n LEU 56 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3lo5 n LEU 56 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3lo5 n LEU 56 CO 0.47 0.00 -0.44 1.15 -1.33 0.00 0.00 177.39 177.23 3lo5 n MET 72 N 0.00 1.57 0.00 3.23 0.00 -1.26 -4.92 117.12 115.75 3lo5 n MET 72 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.83 3lo5 n MET 72 Cb 0.00 -0.94 0.74 0.00 0.00 0.00 0.00 33.22 33.02 3lo5 n MET 72 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3lo5 n ARG 73 N -2.14 0.69 0.04 3.17 1.85 -1.26 -3.14 116.66 115.87 3lo5 n ARG 73 Ca 0.00 0.01 -0.05 0.00 -1.00 0.00 0.00 57.85 56.81 3lo5 n ARG 73 Cb 0.44 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.25 3lo5 n ARG 73 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3lo5 h THR 74 N 0.00 1.11 -4.15 8.89 1.35 -1.99 -3.47 112.91 114.65 3lo5 h THR 74 Ca 0.00 -2.79 -0.54 0.00 -0.55 0.00 0.00 66.41 62.53 3lo5 h THR 74 Cb 0.07 2.51 0.18 0.00 -1.73 0.00 0.00 68.15 69.18 3lo5 h THR 74 CO 0.00 0.63 0.33 0.61 -0.25 0.00 0.00 175.52 176.84 3lo5 n GLY 75 N 1.41 -0.00 0.00 5.82 0.00 -1.19 -4.89 105.19 106.34 3lo5 n GLY 75 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3lo5 n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3lo5 n GLU 76 N -3.05 0.27 -3.68 1.61 0.28 0.01 -5.03 120.64 111.05 3lo5 n GLU 76 Ca 0.14 -0.26 -0.15 0.00 -0.16 0.00 0.00 57.16 56.73 3lo5 n GLU 76 Cb 0.50 -0.73 -0.08 0.00 1.43 0.00 0.00 31.44 32.56 3lo5 n GLU 76 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3lo5 s GLY 77 N -0.11 -0.32 -0.02 -1.84 0.00 -1.14 -4.42 107.32 99.47 3lo5 s GLY 77 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.57 3lo5 s GLY 77 CO 0.00 0.59 -0.03 -1.36 0.00 0.00 0.00 173.10 172.30 3lo5 s PHE 78 N -0.93 0.46 -0.37 1.90 0.08 -0.34 -0.47 117.98 118.31 3lo5 s PHE 78 Ca -0.10 -0.08 -0.19 0.00 0.12 0.00 0.00 56.93 56.68 3lo5 s PHE 78 Cb -0.03 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.02 3lo5 s PHE 78 CO 0.05 -0.09 0.54 -0.51 -0.10 0.00 0.00 175.22 175.11 3lo5 s LEU 79 N 0.48 4.42 -0.56 -0.37 1.02 0.84 -1.39 118.68 123.12 3lo5 s LEU 79 Ca -0.05 -0.14 -0.22 0.00 0.02 0.00 0.00 54.13 53.73 3lo5 s LEU 79 Cb -0.09 -2.60 0.05 0.00 0.02 0.00 0.00 46.19 43.58 3lo5 s LEU 79 CO -0.01 -0.55 0.83 0.00 0.02 0.00 0.00 176.35 176.64 3lo5 s VAL 81 N 3.48 4.16 0.42 0.00 1.01 0.50 -1.08 120.40 128.89 3lo5 s VAL 81 Ca 0.23 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3lo5 s VAL 81 Cb -0.16 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3lo5 s VAL 81 CO 0.15 0.49 0.09 0.72 0.00 0.00 0.00 175.10 176.55 3lo5 s PHE 82 N 0.25 1.85 -0.07 5.22 -0.71 -0.67 -4.01 117.98 119.85 3lo5 s PHE 82 Ca -0.01 -1.15 0.02 0.00 -1.04 0.00 0.00 56.93 54.75 3lo5 s PHE 82 Cb -0.13 -1.29 -0.03 0.00 -1.21 0.00 0.00 43.02 40.36 3lo5 s PHE 82 CO 0.02 -0.12 -0.11 0.00 -1.34 0.00 0.00 175.22 173.67 3lo5 s ALA 83 N -3.13 2.78 0.57 1.99 0.00 -1.26 -0.81 121.76 121.90 3lo5 s ALA 83 Ca 0.22 -0.93 0.40 0.00 0.00 0.00 0.00 51.96 51.64 3lo5 s ALA 83 Cb 0.03 -1.10 2.14 0.00 0.00 0.00 0.00 23.12 24.19 3lo5 s ALA 83 CO 0.12 0.52 2.29 0.97 0.00 0.00 0.00 175.76 179.66 3lo5 h ILE 84 N 4.43 0.13 -0.27 0.00 6.09 -0.93 -0.30 117.51 126.66 3lo5 h ILE 84 Ca -0.45 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3lo5 h ILE 84 Cb 1.17 1.09 0.00 0.00 0.47 0.00 0.00 36.82 39.54 3lo5 h ILE 84 CO 0.52 0.01 0.00 -0.46 -3.07 0.00 0.00 178.15 175.15 3lo5 n ASN 85 N -3.25 3.92 -3.62 2.19 6.94 -1.26 -1.96 115.26 118.22 3lo5 n ASN 85 Ca -0.02 -3.00 -0.29 0.00 -0.02 0.00 0.00 54.58 51.24 3lo5 n ASN 85 Cb 0.11 -0.54 -0.12 0.00 -2.36 0.00 0.00 39.78 36.87 3lo5 n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3lo5 s ASN 86 N -1.89 3.26 0.19 0.53 3.84 -0.12 -4.73 114.94 116.00 3lo5 s ASN 86 Ca 0.42 -2.66 -0.12 0.00 0.21 0.00 0.00 52.86 50.71 3lo5 s ASN 86 Cb 0.34 -0.83 0.21 0.00 -0.55 0.00 0.00 41.25 40.42 3lo5 s ASN 86 CO 0.09 -0.25 1.70 0.74 -2.79 0.00 0.00 177.10 176.59 3lo5 h THR 87 N 5.05 0.67 -0.80 -5.21 2.02 -1.88 -1.46 112.91 111.30 3lo5 h THR 87 Ca 0.06 -0.07 0.13 0.00 0.77 0.00 0.00 66.41 67.29 3lo5 h THR 87 Cb 0.92 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 3lo5 h THR 87 CO 0.43 0.04 0.53 0.50 0.37 0.00 0.00 175.52 177.38 3lo5 h LYS 88 N 0.21 0.59 0.00 6.66 1.63 -1.94 -0.51 116.57 123.21 3lo5 h LYS 88 Ca 0.26 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.87 3lo5 h LYS 88 Cb 0.38 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3lo5 h LYS 88 CO -0.37 0.39 -0.74 0.66 -3.45 0.00 0.00 179.45 175.94 3lo5 h SER 89 N 0.61 0.00 -0.25 4.20 4.64 -1.63 -2.42 113.55 118.70 3lo5 h SER 89 Ca 0.39 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.59 3lo5 h SER 89 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3lo5 h SER 89 CO -0.15 0.74 -0.30 0.15 -0.87 0.00 0.00 176.83 176.41 3lo5 h PHE 90 N 0.00 0.78 0.00 4.77 3.57 -0.71 -3.00 116.94 122.35 3lo5 h PHE 90 Ca -0.01 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 3lo5 h PHE 90 Cb 1.33 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3lo5 h PHE 90 CO 0.00 0.98 -0.08 0.93 -2.23 0.00 0.00 178.31 177.91 3lo5 h GLU 91 N 0.36 0.00 0.00 1.11 5.08 -1.13 -2.55 114.58 117.44 3lo5 h GLU 91 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3lo5 h GLU 91 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3lo5 h GLU 91 CO 0.07 0.08 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.65 3lo5 h ASP 92 N 0.00 0.00 -0.92 1.42 3.32 -1.29 -3.35 116.42 115.60 3lo5 h ASP 92 Ca -0.00 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.29 3lo5 h ASP 92 Cb 0.37 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.79 3lo5 h ASP 92 CO 0.01 0.07 0.41 0.40 -1.72 0.00 0.00 179.24 178.40 3lo5 h ILE 93 N 0.00 0.43 -0.59 0.35 1.08 -1.40 -0.86 117.51 116.52 3lo5 h ILE 93 Ca -0.00 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 3lo5 h ILE 93 Cb 1.01 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3lo5 h ILE 93 CO 0.01 0.07 0.25 -0.74 -0.69 0.00 0.00 178.15 177.05 3lo5 h HIS 94 N 0.37 0.84 0.52 1.37 2.76 -1.79 -0.81 115.15 118.41 3lo5 h HIS 94 Ca 0.59 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.70 3lo5 h HIS 94 Cb 1.17 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 29.88 3lo5 h HIS 94 CO -0.13 0.64 -0.25 1.96 -1.30 0.00 0.00 177.93 178.85 3lo5 h GLN 95 N 0.83 -0.67 -0.98 5.26 4.20 -1.42 -0.18 115.11 122.15 3lo5 h GLN 95 Ca 0.20 0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.11 3lo5 h GLN 95 Cb 0.14 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 27.98 3lo5 h GLN 95 CO -0.02 -0.40 0.61 1.88 -0.67 0.00 0.00 178.83 180.23 3lo5 h TYR 96 N -0.81 1.02 -0.14 2.96 0.05 -1.25 0.21 116.97 119.00 3lo5 h TYR 96 Ca -0.07 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 3lo5 h TYR 96 Cb 0.58 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.01 3lo5 h TYR 96 CO -0.02 0.33 -0.27 -0.09 -1.05 0.00 0.00 178.16 177.06 3lo5 h ARG 97 N 0.82 0.43 -0.55 4.88 2.43 -1.06 -1.35 114.38 119.98 3lo5 h ARG 97 Ca 0.52 -0.28 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 3lo5 h ARG 97 Cb 0.73 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 3lo5 h ARG 97 CO -0.29 0.88 0.22 0.93 -1.51 0.00 0.00 179.97 180.20 3lo5 h GLU 98 N 0.04 0.40 0.05 0.20 4.39 0.04 0.13 114.58 119.83 3lo5 h GLU 98 Ca 0.01 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3lo5 h GLU 98 Cb 0.86 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 3lo5 h GLU 98 CO 0.06 0.26 -0.41 0.37 -1.16 0.00 0.00 179.01 178.14 3lo5 h GLN 99 N 0.41 -0.53 -0.34 2.33 4.15 -0.56 -2.63 115.11 117.95 3lo5 h GLN 99 Ca 0.27 0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.77 3lo5 h GLN 99 Cb 0.29 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 3lo5 h GLN 99 CO -0.26 -0.35 -0.51 0.82 -1.93 0.00 0.00 178.83 176.60 3lo5 h ILE 100 N -0.55 0.00 -0.72 2.39 2.04 -0.53 -2.44 117.51 117.70 3lo5 h ILE 100 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 3lo5 h ILE 100 Cb 0.57 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.51 3lo5 h ILE 100 CO -0.25 0.00 -0.29 0.11 0.00 0.00 0.00 178.15 177.72 3lo5 h LYS 101 N -0.39 -0.08 -0.51 2.37 1.57 -0.63 -0.94 116.57 117.95 3lo5 h LYS 101 Ca 0.06 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3lo5 h LYS 101 Cb 0.56 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3lo5 h LYS 101 CO -0.53 -0.05 -0.14 0.07 -0.57 0.00 0.00 179.45 178.22 3lo5 h ARG 102 N -0.08 1.00 0.00 3.15 0.11 -1.21 0.23 114.38 117.59 3lo5 h ARG 102 Ca 0.30 -0.39 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3lo5 h ARG 102 Cb 0.56 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3lo5 h ARG 102 CO -0.77 1.07 0.00 0.28 0.10 0.00 0.00 179.97 180.65 3lo5 n VAL 103 N -4.15 0.83 0.06 0.08 0.31 -0.65 -0.31 118.33 114.49 3lo5 n VAL 103 Ca 0.01 0.19 0.06 0.00 -0.01 0.00 0.00 64.34 64.59 3lo5 n VAL 103 Cb 0.42 -1.07 0.13 0.00 -0.91 0.00 0.00 33.84 32.41 3lo5 n VAL 103 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3lo5 n LYS 104 N -2.05 2.10 -3.91 5.55 4.76 -0.45 -4.92 118.16 119.25 3lo5 n LYS 104 Ca 0.03 -1.81 -0.28 0.00 -2.87 0.00 0.00 58.31 53.37 3lo5 n LYS 104 Cb 0.23 -1.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3lo5 n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3lo5 n ASP 105 N 0.66 -1.03 -3.75 4.39 -0.08 0.75 -4.91 116.55 112.59 3lo5 n ASP 105 Ca 0.11 -0.95 -0.13 0.00 -1.51 0.00 0.00 54.79 52.31 3lo5 n ASP 105 Cb 0.40 -1.16 -0.08 0.00 2.34 0.00 0.00 41.12 42.62 3lo5 n ASP 105 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3lo5 s SER 106 N -3.97 -0.18 0.24 1.67 0.15 -0.76 -5.02 113.70 105.83 3lo5 s SER 106 Ca 0.17 -0.02 0.12 0.00 0.70 0.00 0.00 55.95 56.92 3lo5 s SER 106 Cb -0.10 0.34 0.13 0.00 -1.71 0.00 0.00 66.02 64.69 3lo5 s SER 106 CO 0.72 -0.54 1.47 -0.78 1.20 0.00 0.00 173.24 175.32 3lo5 h ASP 107 N 3.52 0.00 -3.04 5.45 3.58 -1.91 -3.42 116.42 120.60 3lo5 h ASP 107 Ca -0.31 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.60 3lo5 h ASP 107 Cb 1.19 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.84 3lo5 h ASP 107 CO 0.43 0.69 -0.77 1.51 -2.88 0.00 0.00 179.24 178.22 3lo5 s ASP 108 N -6.63 3.63 -0.12 2.28 -4.77 -1.26 -5.09 116.67 104.72 3lo5 s ASP 108 Ca 0.01 -1.35 -0.06 0.00 -3.30 0.00 0.00 52.55 47.85 3lo5 s ASP 108 Cb 0.10 -0.62 -0.04 0.00 -1.09 0.00 0.00 42.92 41.27 3lo5 s ASP 108 CO 0.77 -0.41 0.11 -0.69 0.70 0.00 0.00 175.17 175.65 3lo5 s VAL 109 N 1.84 5.25 -0.07 2.11 1.01 -1.26 -5.04 120.40 124.24 3lo5 s VAL 109 Ca 0.08 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 3lo5 s VAL 109 Cb -0.17 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 3lo5 s VAL 109 CO -0.26 0.61 2.02 -2.65 0.00 0.00 0.00 175.10 174.81 3lo5 n PRO 110 N 2.12 2.41 -3.65 2.72 -0.02 -1.26 -4.95 135.00 132.37 3lo5 n PRO 110 Ca -0.19 0.84 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3lo5 n PRO 110 Cb 0.55 -2.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.04 3lo5 n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lo5 s MET 111 N 4.88 1.16 -0.02 -0.52 0.23 -1.26 -1.20 119.30 122.58 3lo5 s MET 111 Ca 0.94 -0.73 0.04 0.00 -1.03 0.00 0.00 55.69 54.90 3lo5 s MET 111 Cb -0.50 0.49 -0.00 0.00 -1.53 0.00 0.00 34.83 33.29 3lo5 s MET 111 CO 0.43 -0.47 -0.12 0.08 -2.03 0.00 0.00 175.02 172.91 3lo5 s VAL 112 N -3.82 1.02 -0.34 5.16 1.01 -0.49 -4.45 120.40 118.49 3lo5 s VAL 112 Ca 0.05 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 3lo5 s VAL 112 Cb 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3lo5 s VAL 112 CO -0.10 0.30 0.82 -0.22 0.00 0.00 0.00 175.10 175.90 3lo5 s LEU 113 N -0.09 4.08 -0.23 3.92 2.96 -0.15 -1.21 118.68 127.95 3lo5 s LEU 113 Ca 0.01 0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3lo5 s LEU 113 Cb -0.07 -3.11 0.00 0.00 0.50 0.00 0.00 46.19 43.52 3lo5 s LEU 113 CO 0.00 -0.72 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.57 3lo5 s VAL 114 N 3.14 3.19 -0.60 1.68 1.01 -0.24 -0.34 120.40 128.24 3lo5 s VAL 114 Ca 0.33 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 3lo5 s VAL 114 Cb -0.13 -2.51 0.11 0.00 0.00 0.00 0.00 36.38 33.85 3lo5 s VAL 114 CO 0.16 0.34 0.67 -0.83 0.00 0.00 0.00 175.10 175.44 3lo5 s GLY 115 N 1.43 1.87 0.65 4.51 0.00 -0.36 -1.67 107.32 113.74 3lo5 s GLY 115 Ca 0.04 -2.34 -0.05 0.00 0.00 0.00 0.00 44.72 42.36 3lo5 s GLY 115 CO -0.04 1.50 0.94 0.21 0.00 0.00 0.00 173.10 175.71 3lo5 s ASN 116 N 3.58 5.12 -1.09 1.64 2.47 0.01 -1.18 114.94 125.48 3lo5 s ASN 116 Ca 0.10 0.46 -0.02 0.00 0.42 0.00 0.00 52.86 53.82 3lo5 s ASN 116 Cb -0.25 -1.25 0.00 0.00 -1.45 0.00 0.00 41.25 38.31 3lo5 s ASN 116 CO 0.05 -1.37 0.31 0.29 -3.72 0.00 0.00 177.10 172.66 3lo5 n LYS 117 N -2.73 -2.80 0.00 0.43 5.02 -0.85 -0.31 118.16 116.93 3lo5 n LYS 117 Ca 0.07 0.64 0.08 0.00 -2.02 0.00 0.00 58.31 57.07 3lo5 n LYS 117 Cb 0.59 -4.90 0.46 0.00 -0.02 0.00 0.00 35.03 31.17 3lo5 n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lo5 n ASP 119 N -1.07 0.38 -4.83 0.00 5.75 -1.26 -4.87 116.55 110.65 3lo5 n ASP 119 Ca 0.11 0.18 -0.36 0.00 -0.01 0.00 0.00 54.79 54.71 3lo5 n ASP 119 Cb 0.07 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 3lo5 n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3lo5 s LEU 120 N -3.37 4.33 0.34 -2.12 1.43 -0.65 -4.99 118.68 113.64 3lo5 s LEU 120 Ca 0.11 1.29 0.23 0.00 -1.03 0.00 0.00 54.13 54.73 3lo5 s LEU 120 Cb 0.17 -3.49 0.21 0.00 0.03 0.00 0.00 46.19 43.10 3lo5 s LEU 120 CO 0.63 0.05 1.38 0.00 0.23 0.00 0.00 176.35 178.63 3lo5 h ALA 121 N 3.42 0.79 -0.21 4.21 0.00 -1.89 -3.39 119.26 122.18 3lo5 h ALA 121 Ca -0.48 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.73 3lo5 h ALA 121 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3lo5 h ALA 121 CO 0.65 0.00 3.39 0.00 0.00 0.00 0.00 179.25 183.29 3lo5 n ALA 122 N -2.12 7.30 -2.51 0.00 0.00 -1.26 -4.94 120.51 116.98 3lo5 n ALA 122 Ca 0.02 -3.72 -0.43 0.00 0.00 0.00 0.00 53.44 49.32 3lo5 n ALA 122 Cb 0.54 -3.19 -0.02 0.00 0.00 0.00 0.00 19.45 16.78 3lo5 n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3lo5 s ARG 123 N 1.11 4.30 -0.00 0.00 3.52 -1.26 -4.24 118.95 122.37 3lo5 s ARG 123 Ca 0.64 1.58 0.07 0.00 -0.13 0.00 0.00 55.73 57.89 3lo5 s ARG 123 Cb 0.18 -3.65 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 3lo5 s ARG 123 CO -0.07 -0.57 0.27 0.25 -0.81 0.00 0.00 175.30 174.37 3lo5 n THR 124 N 5.03 0.00 -3.87 4.11 -2.24 -0.83 -4.90 114.28 111.59 3lo5 n THR 124 Ca 0.12 -0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 3lo5 n THR 124 Cb 0.46 0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 69.46 3lo5 n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3lo5 s VAL 125 N -1.76 3.25 0.42 2.28 1.01 -0.98 -4.85 120.40 119.77 3lo5 s VAL 125 Ca 0.02 -1.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 3lo5 s VAL 125 Cb 0.05 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 3lo5 s VAL 125 CO 0.28 0.02 1.13 -1.61 0.00 0.00 0.00 175.10 174.91 3lo5 s GLU 126 N 1.34 4.00 0.29 2.72 2.02 -1.26 -4.92 118.70 122.89 3lo5 s GLU 126 Ca -0.02 1.71 0.02 0.00 0.02 0.00 0.00 54.97 56.70 3lo5 s GLU 126 Cb -0.18 -2.55 0.60 0.00 0.10 0.00 0.00 34.13 32.10 3lo5 s GLU 126 CO -0.01 -0.33 1.81 1.03 0.02 0.00 0.00 175.26 177.78 3lo5 h SER 127 N 2.41 0.84 -0.90 -0.19 0.87 -1.99 -1.07 113.55 113.53 3lo5 h SER 127 Ca -0.49 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.19 3lo5 h SER 127 Cb 1.23 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 3lo5 h SER 127 CO 0.62 0.40 0.57 -0.09 -0.53 0.00 0.00 176.83 177.80 3lo5 h ARG 128 N 0.89 1.03 -0.18 2.24 2.43 -1.99 -0.23 114.38 118.57 3lo5 h ARG 128 Ca 0.52 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.65 3lo5 h ARG 128 Cb 0.62 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3lo5 h ARG 128 CO -0.31 0.68 0.01 1.96 -1.51 0.00 0.00 179.97 180.81 3lo5 h GLN 129 N 1.06 0.08 -0.42 0.20 4.20 -1.57 -0.26 115.11 118.40 3lo5 h GLN 129 Ca 0.38 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.00 3lo5 h GLN 129 Cb 0.11 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3lo5 h GLN 129 CO -0.15 0.05 -0.08 0.00 -0.67 0.00 0.00 178.83 177.98 3lo5 h ALA 130 N 1.15 1.07 -0.48 3.87 0.00 -1.26 -1.37 119.26 122.24 3lo5 h ALA 130 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3lo5 h ALA 130 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3lo5 h ALA 130 CO -0.13 0.57 0.23 1.96 0.00 0.00 0.00 179.25 181.89 3lo5 h GLN 131 N 0.67 0.68 -0.49 0.00 4.20 -0.67 0.12 115.11 119.62 3lo5 h GLN 131 Ca 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3lo5 h GLN 131 Cb 0.53 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3lo5 h GLN 131 CO 0.03 0.57 0.27 -0.44 -0.67 0.00 0.00 178.83 178.59 3lo5 h ASP 132 N 0.63 0.61 -0.05 1.46 3.32 -0.71 0.20 116.42 121.86 3lo5 h ASP 132 Ca 0.16 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3lo5 h ASP 132 Cb 0.11 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3lo5 h ASP 132 CO -0.02 0.52 0.03 0.25 -1.72 0.00 0.00 179.24 178.30 3lo5 h LEU 133 N 0.65 0.07 -0.88 1.55 5.85 -1.00 -1.51 115.31 120.04 3lo5 h LEU 133 Ca 0.17 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3lo5 h LEU 133 Cb 0.04 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3lo5 h LEU 133 CO -0.03 0.13 0.57 0.00 -0.34 0.00 0.00 178.44 178.78 3lo5 h ALA 134 N 0.94 1.13 -0.78 1.25 0.00 -0.55 -1.94 119.26 119.32 3lo5 h ALA 134 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3lo5 h ALA 134 Cb 0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3lo5 h ALA 134 CO -0.00 0.47 0.41 -0.09 0.00 0.00 0.00 179.25 180.04 3lo5 h ARG 135 N 1.15 1.09 0.00 0.00 2.43 -0.32 0.11 114.38 118.83 3lo5 h ARG 135 Ca 0.33 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3lo5 h ARG 135 Cb -0.08 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 3lo5 h ARG 135 CO -0.09 0.81 -0.20 0.66 -1.51 0.00 0.00 179.97 179.64 3lo5 h SER 136 N 1.09 0.00 0.71 -3.80 4.64 -0.54 -2.10 113.55 113.55 3lo5 h SER 136 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3lo5 h SER 136 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3lo5 h SER 136 CO -0.04 0.20 -0.76 -1.22 -0.87 0.00 0.00 176.83 174.14 3lo5 n TYR 137 N -3.72 0.44 -2.30 4.77 4.01 -0.47 -4.96 117.16 114.93 3lo5 n TYR 137 Ca -0.01 0.13 -0.09 0.00 -0.16 0.00 0.00 57.90 57.76 3lo5 n TYR 137 Cb 0.31 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 3lo5 n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lo5 n GLY 138 N 1.35 0.06 3.32 2.72 0.00 0.25 -5.05 105.19 107.85 3lo5 n GLY 138 Ca 0.03 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3lo5 n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lo5 s ILE 139 N -2.56 1.62 0.56 -0.61 -4.36 -0.66 -5.03 121.20 110.17 3lo5 s ILE 139 Ca 0.04 -2.17 -0.19 0.00 -0.26 0.00 0.00 60.65 58.07 3lo5 s ILE 139 Cb -0.02 -2.00 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 3lo5 s ILE 139 CO 0.05 -0.62 1.11 -2.84 0.24 0.00 0.00 174.94 172.88 3lo5 s PRO 140 N -3.64 3.31 -0.12 0.37 0.02 -1.26 -4.23 135.00 129.45 3lo5 s PRO 140 Ca 0.21 1.52 0.02 0.00 0.02 0.00 0.00 61.00 62.77 3lo5 s PRO 140 Cb -0.00 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 3lo5 s PRO 140 CO 0.06 -0.86 -0.18 -0.47 -0.33 0.00 0.00 177.00 175.21 3lo5 s TYR 141 N -1.93 2.70 -0.03 6.54 5.04 -1.26 -0.98 117.35 127.43 3lo5 s TYR 141 Ca 0.71 -0.91 0.02 0.00 -2.44 0.00 0.00 57.07 54.44 3lo5 s TYR 141 Cb -0.22 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.31 3lo5 s TYR 141 CO 0.29 -0.36 -0.06 0.42 -1.34 0.00 0.00 175.55 174.50 3lo5 s ILE 142 N 0.45 0.59 -0.06 3.14 1.01 0.54 -4.99 121.20 121.89 3lo5 s ILE 142 Ca -0.13 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 3lo5 s ILE 142 Cb -0.17 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 3lo5 s ILE 142 CO 0.06 0.21 0.37 -1.61 0.00 0.00 0.00 174.94 173.96 3lo5 s GLU 143 N 0.46 3.98 0.28 2.79 2.02 -1.26 -1.23 118.70 125.74 3lo5 s GLU 143 Ca -0.06 0.30 0.03 0.00 0.02 0.00 0.00 54.97 55.26 3lo5 s GLU 143 Cb -0.10 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.79 3lo5 s GLU 143 CO 0.00 0.55 0.04 0.95 0.02 0.00 0.00 175.26 176.82 3lo5 s THR 144 N -0.59 1.04 -0.23 3.63 -4.23 -0.33 -4.40 115.64 110.54 3lo5 s THR 144 Ca 0.22 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3lo5 s THR 144 Cb -0.15 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.21 3lo5 s THR 144 CO 0.10 -0.13 0.25 -0.55 -0.54 0.00 0.00 174.62 173.75 3lo5 s SER 145 N -3.39 1.43 0.63 3.99 0.15 0.05 -1.58 113.70 114.99 3lo5 s SER 145 Ca 0.33 -0.34 0.40 0.00 0.70 0.00 0.00 55.95 57.04 3lo5 s SER 145 Cb 0.07 0.44 2.17 0.00 -1.71 0.00 0.00 66.02 66.99 3lo5 s SER 145 CO 0.13 -0.34 2.30 0.00 1.20 0.00 0.00 173.24 176.52 3lo5 h ALA 146 N 8.29 1.11 0.00 5.45 0.00 -1.89 0.64 119.26 132.87 3lo5 h ALA 146 Ca -0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3lo5 h ALA 146 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3lo5 h ALA 146 CO 0.30 0.01 -0.00 -0.22 0.00 0.00 0.00 179.25 179.34 3lo5 h LYS 147 N 0.00 -0.00 0.00 0.00 3.64 -1.94 -3.35 116.57 114.91 3lo5 h LYS 147 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lo5 h LYS 147 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3lo5 h LYS 147 CO 0.00 0.89 -0.76 0.25 -2.27 0.00 0.00 179.45 177.55 3lo5 n THR 148 N -4.64 0.09 -0.61 1.00 -2.24 -1.16 -4.78 114.28 101.95 3lo5 n THR 148 Ca -0.09 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3lo5 n THR 148 Cb 0.43 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3lo5 n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3lo5 n ARG 149 N -1.71 0.00 -1.65 -0.78 0.63 0.22 -5.00 116.66 108.37 3lo5 n ARG 149 Ca 0.04 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.48 3lo5 n ARG 149 Cb 0.38 -1.95 -0.05 0.00 0.45 0.00 0.00 32.46 31.29 3lo5 n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3lo5 n GLN 150 N -2.00 1.83 -0.59 -0.14 7.27 -1.15 -2.42 117.38 120.19 3lo5 n GLN 150 Ca 0.00 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.73 3lo5 n GLN 150 Cb 0.00 -2.40 0.00 0.00 2.41 0.00 0.00 30.24 30.25 3lo5 n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3lo5 n GLY 151 N 3.37 0.69 0.28 1.69 0.00 -1.26 -0.77 105.19 109.18 3lo5 n GLY 151 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 3lo5 n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lo5 h VAL 152 N 0.00 0.51 -0.58 1.61 2.07 -1.78 0.46 116.25 118.54 3lo5 h VAL 152 Ca 0.00 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3lo5 h VAL 152 Cb 0.00 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 3lo5 h VAL 152 CO 0.00 0.04 0.29 -0.33 0.02 0.00 0.00 177.57 177.59 3lo5 h GLU 153 N -0.78 0.54 -0.94 1.57 5.08 -1.89 -2.15 114.58 116.00 3lo5 h GLU 153 Ca -0.07 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3lo5 h GLU 153 Cb 0.55 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3lo5 h GLU 153 CO 0.11 0.35 0.61 -0.44 -1.00 0.00 0.00 179.01 178.64 3lo5 h ASP 154 N 0.55 0.94 0.63 1.42 5.19 -1.89 0.12 116.42 123.37 3lo5 h ASP 154 Ca 0.27 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 3lo5 h ASP 154 Cb 0.19 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.52 3lo5 h ASP 154 CO -0.19 0.60 -0.30 0.00 -3.12 0.00 0.00 179.24 176.23 3lo5 h ALA 155 N 1.50 -0.84 -0.19 3.45 0.00 -0.25 0.30 119.26 123.23 3lo5 h ALA 155 Ca 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3lo5 h ALA 155 Cb 0.21 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3lo5 h ALA 155 CO -0.16 -0.94 0.05 0.74 0.00 0.00 0.00 179.25 178.94 3lo5 h PHE 156 N -0.90 0.32 -0.76 0.00 0.04 -1.23 -1.89 116.94 112.52 3lo5 h PHE 156 Ca -0.09 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3lo5 h PHE 156 Cb 0.66 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 3lo5 h PHE 156 CO -0.02 0.41 0.48 1.88 -0.60 0.00 0.00 178.31 180.46 3lo5 h TYR 157 N 0.13 0.98 -0.67 -0.55 -1.99 -0.81 -1.55 116.97 112.51 3lo5 h TYR 157 Ca 0.06 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 3lo5 h TYR 157 Cb 0.25 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 3lo5 h TYR 157 CO 0.01 0.64 0.27 1.15 -0.00 0.00 0.00 178.16 180.22 3lo5 h THR 158 N 1.04 1.23 -0.59 -2.88 2.02 -0.83 -1.74 112.91 111.16 3lo5 h THR 158 Ca 0.28 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3lo5 h THR 158 Cb -0.08 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 3lo5 h THR 158 CO -0.06 0.29 0.29 0.25 0.37 0.00 0.00 175.52 176.67 3lo5 h LEU 159 N 0.96 0.77 -0.86 2.58 5.85 -0.67 -1.39 115.31 122.55 3lo5 h LEU 159 Ca 0.23 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3lo5 h LEU 159 Cb 0.18 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3lo5 h LEU 159 CO -0.02 0.67 0.56 0.58 -0.34 0.00 0.00 178.44 179.89 3lo5 h VAL 160 N 0.80 1.17 0.00 1.05 2.07 -0.76 -0.86 116.25 119.73 3lo5 h VAL 160 Ca 0.20 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3lo5 h VAL 160 Cb 0.10 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3lo5 h VAL 160 CO -0.03 0.20 -0.10 0.03 0.02 0.00 0.00 177.57 177.69 3lo5 h ARG 161 N 1.11 0.00 0.04 1.57 3.08 -0.85 -1.17 114.38 118.17 3lo5 h ARG 161 Ca 0.33 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.15 3lo5 h ARG 161 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3lo5 h ARG 161 CO -0.10 0.10 -1.03 0.93 -1.07 0.00 0.00 179.97 178.81 3lo5 h GLU 162 N 0.00 0.32 -0.59 0.04 4.39 -0.12 -2.14 114.58 116.48 3lo5 h GLU 162 Ca -0.00 -0.40 -0.09 0.00 0.34 0.00 0.00 59.36 59.21 3lo5 h GLU 162 Cb 0.54 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3lo5 h GLU 162 CO 0.01 1.11 0.00 0.82 -1.16 0.00 0.00 179.01 179.80 3lo5 h ILE 163 N 0.15 1.27 -0.01 3.13 2.04 -0.46 -2.90 117.51 120.72 3lo5 h ILE 163 Ca -0.09 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3lo5 h ILE 163 Cb 1.69 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3lo5 h ILE 163 CO 0.17 0.41 0.01 0.03 0.00 0.00 0.00 178.15 178.77 3lo5 h ARG 164 N 0.94 0.02 0.00 2.37 3.08 -1.26 -2.66 114.38 116.87 3lo5 h ARG 164 Ca 0.17 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3lo5 h ARG 164 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3lo5 h ARG 164 CO 0.03 0.01 0.20 0.37 -1.07 0.00 0.00 179.97 179.51 3lo5 h GLN 165 N 0.02 0.00 -0.01 0.04 4.15 -1.19 -3.51 115.11 114.60 3lo5 h GLN 165 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3lo5 h GLN 165 Cb -0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3lo5 h GLN 165 CO -0.00 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.62