#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mb1 s GLN 4 N 0.00 4.05 -0.24 -3.83 -1.52 -1.26 -4.97 119.66 111.88 1mb1 s GLN 4 Ca 0.00 1.68 0.03 0.00 -1.95 0.00 0.00 55.36 55.12 1mb1 s GLN 4 Cb 0.00 -3.90 0.05 0.00 -0.22 0.00 0.00 33.01 28.94 1mb1 s GLN 4 CO 0.00 -0.97 -0.13 0.42 -0.25 0.00 0.00 175.29 174.36 1mb1 s ILE 5 N 4.22 2.15 0.39 1.08 1.01 -1.26 -1.18 121.20 127.61 1mb1 s ILE 5 Ca 0.63 -1.50 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1mb1 s ILE 5 Cb -0.24 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1mb1 s ILE 5 CO 0.23 0.09 0.36 -0.31 0.00 0.00 0.00 174.94 175.31 1mb1 s TYR 6 N 1.14 2.76 -0.19 3.97 2.02 -0.01 -4.87 117.35 122.18 1mb1 s TYR 6 Ca -0.06 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1mb1 s TYR 6 Cb -0.19 -2.08 -0.05 0.00 -0.40 0.00 0.00 41.96 39.25 1mb1 s TYR 6 CO -0.07 -0.05 0.18 0.45 -1.57 0.00 0.00 175.55 174.50 1mb1 s SER 7 N -4.10 6.28 0.30 2.29 0.15 -1.26 -0.38 113.70 116.98 1mb1 s SER 7 Ca 0.46 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 57.42 1mb1 s SER 7 Cb -0.04 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1mb1 s SER 7 CO 0.28 0.15 0.37 0.00 1.20 0.00 0.00 173.24 175.24 1mb1 s ALA 8 N 0.40 0.92 -0.12 5.45 0.00 -0.57 -4.94 121.76 122.90 1mb1 s ALA 8 Ca 0.11 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 1mb1 s ALA 8 Cb -0.12 1.26 0.04 0.00 0.00 0.00 0.00 23.12 24.30 1mb1 s ALA 8 CO -0.00 -0.74 0.31 0.50 0.00 0.00 0.00 175.76 175.84 1mb1 s ARG 9 N -3.50 0.34 -0.01 0.00 3.52 -1.26 -0.73 118.95 117.31 1mb1 s ARG 9 Ca 0.33 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.43 1mb1 s ARG 9 Cb 0.02 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 1mb1 s ARG 9 CO 0.18 -0.08 -0.00 0.71 -0.81 0.00 0.00 175.30 175.31 1mb1 s TYR 10 N 0.50 0.15 -1.46 5.12 1.51 0.07 -4.92 117.35 118.32 1mb1 s TYR 10 Ca -0.03 0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 55.97 1mb1 s TYR 10 Cb -0.04 -0.19 0.01 0.00 -0.11 0.00 0.00 41.96 41.63 1mb1 s TYR 10 CO -0.03 -0.05 0.18 -1.13 -1.11 0.00 0.00 175.55 173.42 1mb1 n SER 11 N 3.53 -0.27 0.00 2.29 3.41 -1.26 -0.07 113.62 121.25 1mb1 n SER 11 Ca -0.19 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1mb1 n SER 11 Cb 0.55 -1.72 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1mb1 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mb1 n GLY 12 N -2.44 0.99 3.44 5.00 0.00 -1.26 -5.02 105.19 105.90 1mb1 n GLY 12 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1mb1 n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mb1 s VAL 13 N -3.32 3.56 0.18 1.61 1.01 0.90 -5.09 120.40 119.25 1mb1 s VAL 13 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 1mb1 s VAL 13 Cb 0.00 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 1mb1 s VAL 13 CO 0.00 0.50 0.86 -1.81 0.00 0.00 0.00 175.10 174.65 1mb1 s ASP 14 N 0.45 7.49 0.19 3.32 1.01 -1.26 -0.75 116.67 127.12 1mb1 s ASP 14 Ca -0.06 1.77 -0.00 0.00 0.71 0.00 0.00 52.55 54.97 1mb1 s ASP 14 Cb -0.15 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1mb1 s ASP 14 CO 0.04 0.15 0.09 0.68 0.21 0.00 0.00 175.17 176.34 1mb1 s VAL 15 N -0.98 0.19 -0.23 -1.27 -7.23 0.09 -1.82 120.40 109.15 1mb1 s VAL 15 Ca 0.39 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 1mb1 s VAL 15 Cb -0.24 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1mb1 s VAL 15 CO 0.29 -0.16 0.14 -0.31 -0.31 0.00 0.00 175.10 174.74 1mb1 s TYR 16 N -4.01 3.31 -0.19 2.82 2.02 0.17 -1.51 117.35 119.95 1mb1 s TYR 16 Ca 0.34 0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 57.22 1mb1 s TYR 16 Cb 0.07 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.41 1mb1 s TYR 16 CO 0.09 0.10 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.83 1mb1 s GLU 17 N 0.88 3.18 -0.37 -0.62 2.02 0.49 -0.14 118.70 124.14 1mb1 s GLU 17 Ca 0.07 -0.74 -0.17 0.00 0.02 0.00 0.00 54.97 54.15 1mb1 s GLU 17 Cb -0.13 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1mb1 s GLU 17 CO 0.03 -0.17 0.45 0.12 0.02 0.00 0.00 175.26 175.71 1mb1 s PHE 18 N 1.30 3.18 -0.66 1.61 5.36 0.23 -0.83 117.98 128.16 1mb1 s PHE 18 Ca 0.04 -0.04 -0.27 0.00 -0.96 0.00 0.00 56.93 55.70 1mb1 s PHE 18 Cb -0.14 -2.86 0.01 0.00 -0.34 0.00 0.00 43.02 39.69 1mb1 s PHE 18 CO -0.07 -0.56 1.55 0.42 -1.46 0.00 0.00 175.22 175.10 1mb1 s ILE 19 N 2.23 3.56 0.36 3.12 1.01 -0.32 -0.42 121.20 130.74 1mb1 s ILE 19 Ca 0.15 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.22 1mb1 s ILE 19 Cb -0.16 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 1mb1 s ILE 19 CO 0.13 -1.36 0.48 -2.28 0.00 0.00 0.00 174.94 171.92 1mb1 s HIS 20 N 7.25 3.02 0.28 3.97 2.46 -0.02 -4.67 115.29 127.57 1mb1 s HIS 20 Ca 0.51 -0.27 0.01 0.00 0.47 0.00 0.00 55.06 55.78 1mb1 s HIS 20 Cb -0.10 -2.08 0.64 0.00 -0.13 0.00 0.00 32.58 30.91 1mb1 s HIS 20 CO 0.19 -0.10 1.69 1.03 -2.47 0.00 0.00 174.74 175.08 1mb1 h SER 21 N 0.86 0.18 0.07 9.88 0.87 -2.01 -1.53 113.55 121.87 1mb1 h SER 21 Ca -0.44 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1mb1 h SER 21 Cb 1.26 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 1mb1 h SER 21 CO 0.51 -0.03 -0.08 0.35 -0.53 0.00 0.00 176.83 177.05 1mb1 n THR 22 N -5.10 0.00 0.00 2.23 -2.24 -1.26 -5.00 114.28 102.91 1mb1 n THR 22 Ca 0.19 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1mb1 n THR 22 Cb 0.59 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1mb1 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mb1 n GLY 23 N 1.22 1.26 3.73 3.38 0.00 -0.58 -4.89 105.19 109.32 1mb1 n GLY 23 Ca 0.17 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1mb1 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mb1 s SER 24 N 0.00 7.14 -0.11 1.61 0.01 -1.26 -0.84 113.70 120.25 1mb1 s SER 24 Ca 0.00 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.34 1mb1 s SER 24 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1mb1 s SER 24 CO 0.00 -0.37 -0.12 -0.51 0.41 0.00 0.00 173.24 172.65 1mb1 s ILE 25 N 0.46 3.16 -0.09 1.44 2.07 0.43 -4.90 121.20 123.78 1mb1 s ILE 25 Ca 0.55 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1mb1 s ILE 25 Cb -0.30 -2.31 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 1mb1 s ILE 25 CO 0.32 0.54 -0.07 -0.04 -1.91 0.00 0.00 174.94 173.78 1mb1 s MET 26 N 0.04 2.95 -0.06 3.50 -1.94 -1.26 0.73 119.30 123.25 1mb1 s MET 26 Ca -0.04 -0.57 0.04 0.00 -1.71 0.00 0.00 55.69 53.41 1mb1 s MET 26 Cb -0.14 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 34.06 1mb1 s MET 26 CO 0.04 0.55 -0.18 0.21 -0.01 0.00 0.00 175.02 175.63 1mb1 s LYS 27 N -0.50 2.14 -0.04 2.03 2.20 0.80 -2.77 119.74 123.60 1mb1 s LYS 27 Ca 0.07 -0.66 -0.25 0.00 -0.36 0.00 0.00 55.97 54.77 1mb1 s LYS 27 Cb -0.12 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 1mb1 s LYS 27 CO 0.02 0.19 0.78 1.03 -0.36 0.00 0.00 175.35 177.01 1mb1 s ARG 28 N 0.23 4.48 0.30 4.03 0.52 -0.63 0.42 118.95 128.29 1mb1 s ARG 28 Ca -0.10 1.04 0.09 0.00 -0.52 0.00 0.00 55.73 56.24 1mb1 s ARG 28 Cb -0.14 -3.44 0.47 0.00 0.52 0.00 0.00 34.95 32.35 1mb1 s ARG 28 CO 0.04 0.05 1.69 0.87 0.02 0.00 0.00 175.30 177.97 1mb1 h LYS 29 N 6.69 0.12 -0.41 3.54 1.57 -1.68 -0.41 116.57 126.00 1mb1 h LYS 29 Ca -0.41 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1mb1 h LYS 29 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1mb1 h LYS 29 CO 0.75 0.58 0.08 1.57 -0.57 0.00 0.00 179.45 181.86 1mb1 h LYS 30 N 0.10 0.61 0.00 3.15 2.10 -1.94 -3.37 116.57 117.22 1mb1 h LYS 30 Ca 0.00 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1mb1 h LYS 30 Cb 0.88 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1mb1 h LYS 30 CO 0.07 0.57 0.00 -0.40 -2.00 0.00 0.00 179.45 177.69 1mb1 n ASP 31 N -4.31 0.00 -1.31 7.07 5.68 -1.25 -5.03 116.55 117.41 1mb1 n ASP 31 Ca 0.02 -0.99 -0.16 0.00 -0.50 0.00 0.00 54.79 53.17 1mb1 n ASP 31 Cb 0.21 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.13 1mb1 n ASP 31 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1mb1 n ASP 32 N 0.00 -4.86 -4.78 -1.12 8.00 -0.16 -4.77 116.55 108.86 1mb1 n ASP 32 Ca 0.00 0.32 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 1mb1 n ASP 32 Cb 0.25 -3.78 0.06 0.00 -0.02 0.00 0.00 41.12 37.63 1mb1 n ASP 32 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1mb1 s TRP 33 N -2.62 2.75 -0.01 1.24 0.52 -1.26 -3.52 118.94 116.03 1mb1 s TRP 33 Ca 0.00 1.52 0.03 0.00 0.02 0.00 0.00 56.10 57.67 1mb1 s TRP 33 Cb 0.00 -3.03 -0.01 0.00 -1.15 0.00 0.00 33.47 29.28 1mb1 s TRP 33 CO 0.00 -1.58 -0.11 0.08 0.02 0.00 0.00 176.95 175.36 1mb1 s VAL 34 N -2.76 0.90 -0.65 4.03 1.01 -0.13 -1.61 120.40 121.18 1mb1 s VAL 34 Ca 0.62 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 1mb1 s VAL 34 Cb -0.17 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1mb1 s VAL 34 CO 0.50 0.26 1.85 0.21 0.00 0.00 0.00 175.10 177.92 1mb1 s ASN 35 N -0.18 5.29 0.50 3.32 3.04 -1.12 -1.78 114.94 124.01 1mb1 s ASN 35 Ca 0.03 0.19 0.19 0.00 0.04 0.00 0.00 52.86 53.31 1mb1 s ASN 35 Cb -0.05 -2.53 1.24 0.00 -1.54 0.00 0.00 41.25 38.36 1mb1 s ASN 35 CO -0.00 -2.40 2.03 0.00 -3.04 0.00 0.00 177.10 173.69 1mb1 h ALA 36 N 14.36 2.21 -0.83 1.71 0.00 -0.91 -2.49 119.26 133.31 1mb1 h ALA 36 Ca -0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1mb1 h ALA 36 Cb 1.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1mb1 h ALA 36 CO 1.22 -0.31 0.45 1.15 0.00 0.00 0.00 179.25 181.76 1mb1 h THR 37 N 0.14 1.25 -0.14 0.00 2.02 -1.89 -1.59 112.91 112.70 1mb1 h THR 37 Ca 0.19 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1mb1 h THR 37 Cb 0.59 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1mb1 h THR 37 CO -0.03 0.28 0.07 0.45 0.37 0.00 0.00 175.52 176.66 1mb1 h HIS 38 N 1.16 0.20 -0.47 3.16 3.86 -1.80 -0.03 115.15 121.24 1mb1 h HIS 38 Ca 0.29 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.58 1mb1 h HIS 38 Cb 0.04 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 28.36 1mb1 h HIS 38 CO 0.01 0.25 -0.06 0.82 0.86 0.00 0.00 177.93 179.81 1mb1 h ILE 39 N 0.10 0.59 -0.32 2.45 1.08 -1.11 -1.51 117.51 118.79 1mb1 h ILE 39 Ca 0.05 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 1mb1 h ILE 39 Cb 0.12 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 1mb1 h ILE 39 CO -0.01 0.01 0.17 -0.07 -0.69 0.00 0.00 178.15 177.57 1mb1 h LEU 40 N 0.05 0.38 -0.52 1.44 3.38 -1.03 -1.77 115.31 117.25 1mb1 h LEU 40 Ca 0.23 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1mb1 h LEU 40 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1mb1 h LEU 40 CO -0.43 0.32 -0.60 0.11 0.09 0.00 0.00 178.44 177.92 1mb1 h LYS 41 N 0.44 0.45 0.00 1.13 1.57 -0.68 -1.88 116.57 117.61 1mb1 h LYS 41 Ca 0.12 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1mb1 h LYS 41 Cb 0.02 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1mb1 h LYS 41 CO -0.02 0.92 -0.00 0.00 -0.57 0.00 0.00 179.45 179.78 1mb1 h ALA 42 N 1.01 1.01 -0.34 3.86 0.00 -0.43 -0.88 119.26 123.49 1mb1 h ALA 42 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mb1 h ALA 42 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1mb1 h ALA 42 CO 0.11 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1mb1 n ALA 43 N -2.09 2.51 -2.68 0.00 0.00 -0.72 -4.91 120.51 112.62 1mb1 n ALA 43 Ca -0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 53.44 52.60 1mb1 n ALA 43 Cb 0.18 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.67 1mb1 n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mb1 n ASN 44 N 0.49 -5.54 -4.75 0.00 3.02 -0.34 -5.00 115.26 103.15 1mb1 n ASN 44 Ca 0.12 -0.15 -0.40 0.00 -0.03 0.00 0.00 54.58 54.12 1mb1 n ASN 44 Cb 0.33 -4.47 -0.05 0.00 -0.61 0.00 0.00 39.78 34.98 1mb1 n ASN 44 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1mb1 s PHE 45 N -3.03 3.76 0.82 3.10 0.08 -1.10 -5.05 117.98 116.56 1mb1 s PHE 45 Ca 0.15 1.49 -0.11 0.00 0.12 0.00 0.00 56.93 58.58 1mb1 s PHE 45 Cb -0.07 -2.81 0.09 0.00 -0.57 0.00 0.00 43.02 39.65 1mb1 s PHE 45 CO 0.19 0.30 1.10 0.00 -0.10 0.00 0.00 175.22 176.71 1mb1 s ALA 46 N -0.18 2.07 0.13 5.36 0.00 -1.26 -4.64 121.76 123.24 1mb1 s ALA 46 Ca 0.38 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 1mb1 s ALA 46 Cb -0.21 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1mb1 s ALA 46 CO 0.23 -1.89 1.64 -0.22 0.00 0.00 0.00 175.76 175.52 1mb1 h LYS 47 N -1.21 -0.35 -0.65 0.00 3.64 -1.99 0.27 116.57 116.28 1mb1 h LYS 47 Ca -0.48 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1mb1 h LYS 47 Cb 1.27 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 1mb1 h LYS 47 CO 0.58 -0.23 0.27 0.00 -2.27 0.00 0.00 179.45 177.80 1mb1 h ALA 48 N 0.51 1.25 -0.09 5.00 0.00 -2.00 -1.20 119.26 122.73 1mb1 h ALA 48 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mb1 h ALA 48 Cb 0.47 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1mb1 h ALA 48 CO -0.26 0.56 0.03 -0.22 0.00 0.00 0.00 179.25 179.36 1mb1 h LYS 49 N 0.93 0.14 -0.62 0.00 3.64 -1.36 -1.89 116.57 117.41 1mb1 h LYS 49 Ca 0.22 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.70 1mb1 h LYS 49 Cb 0.17 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 31.85 1mb1 h LYS 49 CO -0.02 0.30 -0.12 0.00 -2.27 0.00 0.00 179.45 177.33 1mb1 h ARG 50 N -0.04 0.02 -0.57 1.90 3.08 0.27 -2.27 114.38 116.77 1mb1 h ARG 50 Ca 0.03 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1mb1 h ARG 50 Cb 0.21 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1mb1 h ARG 50 CO -0.00 0.01 0.20 1.15 -1.07 0.00 0.00 179.97 180.26 1mb1 h THR 51 N 0.02 0.78 -0.48 2.04 2.02 -1.28 0.12 112.91 116.12 1mb1 h THR 51 Ca 0.31 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1mb1 h THR 51 Cb 0.48 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1mb1 h THR 51 CO -0.62 0.07 0.27 -0.09 0.37 0.00 0.00 175.52 175.52 1mb1 h ARG 52 N 0.38 0.67 -0.29 6.66 2.43 -1.03 0.36 114.38 123.55 1mb1 h ARG 52 Ca 0.29 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1mb1 h ARG 52 Cb 0.35 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1mb1 h ARG 52 CO -0.30 0.51 -0.24 0.82 -1.51 0.00 0.00 179.97 179.25 1mb1 h ILE 53 N 0.64 1.27 0.71 1.20 2.04 -0.79 -1.23 117.51 121.36 1mb1 h ILE 53 Ca 0.17 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1mb1 h ILE 53 Cb 0.03 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1mb1 h ILE 53 CO -0.03 0.42 -0.36 -0.07 0.00 0.00 0.00 178.15 178.11 1mb1 h LEU 54 N 0.50 -0.86 0.00 1.44 3.38 -0.54 -2.92 115.31 116.31 1mb1 h LEU 54 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mb1 h LEU 54 Cb 0.69 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1mb1 h LEU 54 CO 0.05 -0.60 0.00 1.21 0.09 0.00 0.00 178.44 179.20 1mb1 n GLU 55 N -4.68 0.05 0.00 1.13 2.13 0.12 -1.84 120.64 117.55 1mb1 n GLU 55 Ca -0.12 0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1mb1 n GLU 55 Cb 0.39 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.60 1mb1 n GLU 55 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1mb1 n LYS 56 N -1.33 0.00 0.00 5.31 4.01 -0.48 -4.84 118.16 120.83 1mb1 n LYS 56 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1mb1 n LYS 56 Cb 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.56 1mb1 n LYS 56 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1mb1 n GLU 57 N -0.03 0.00 -0.18 1.97 1.02 -1.13 -3.83 120.64 118.46 1mb1 n GLU 57 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1mb1 n GLU 57 Cb 0.00 -0.35 0.08 0.00 -0.02 0.00 0.00 31.44 31.15 1mb1 n GLU 57 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1mb1 h VAL 58 N 0.00 0.62 0.00 2.62 2.07 -1.34 -2.38 116.25 117.83 1mb1 h VAL 58 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1mb1 h VAL 58 Cb 0.00 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1mb1 h VAL 58 CO 0.00 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.80 1mb1 n LEU 59 N -5.19 0.00 -0.11 2.57 4.77 -0.80 -0.72 117.00 117.51 1mb1 n LEU 59 Ca 0.07 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.48 1mb1 n LEU 59 Cb 0.29 -0.32 0.14 0.00 -2.33 0.00 0.00 43.42 41.21 1mb1 n LEU 59 CO 0.16 -0.23 0.34 0.29 -1.33 0.00 0.00 177.39 176.61 1mb1 n LYS 60 N -1.32 0.32 -1.78 3.23 4.76 -0.90 -4.93 118.16 117.54 1mb1 n LYS 60 Ca 0.04 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1mb1 n LYS 60 Cb 0.07 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1mb1 n LYS 60 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1mb1 n GLU 61 N -1.14 1.91 -2.26 1.97 -0.58 0.10 -5.08 120.64 115.56 1mb1 n GLU 61 Ca 0.07 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 1mb1 n GLU 61 Cb 0.35 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.19 1mb1 n GLU 61 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1mb1 s THR 62 N -0.62 3.04 -0.06 2.62 2.01 -1.26 -4.95 115.64 116.42 1mb1 s THR 62 Ca 0.00 1.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.74 1mb1 s THR 62 Cb 0.00 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 68.96 1mb1 s THR 62 CO 0.00 0.25 1.35 -1.38 -0.69 0.00 0.00 174.62 174.14 1mb1 s HIS 63 N -1.10 0.00 -0.04 4.92 -3.43 -1.26 -4.46 115.29 109.92 1mb1 s HIS 63 Ca 0.47 -0.06 -0.02 0.00 -0.80 0.00 0.00 55.06 54.66 1mb1 s HIS 63 Cb -0.37 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.34 1mb1 s HIS 63 CO 0.48 -0.14 0.08 -2.00 -2.00 0.00 0.00 174.74 171.16 1mb1 s GLU 64 N -2.07 0.04 -0.67 -0.38 2.12 -0.43 -4.98 118.70 112.33 1mb1 s GLU 64 Ca 0.25 0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.66 1mb1 s GLU 64 Cb 0.02 -0.12 0.17 0.00 0.26 0.00 0.00 34.13 34.46 1mb1 s GLU 64 CO -0.03 -0.11 0.60 0.21 -0.54 0.00 0.00 175.26 175.39 1mb1 s LYS 65 N 0.72 3.17 -0.44 4.30 2.20 -1.26 -0.71 119.74 127.72 1mb1 s LYS 65 Ca -0.06 -2.14 -0.28 0.00 -0.36 0.00 0.00 55.97 53.13 1mb1 s LYS 65 Cb -0.08 -4.26 0.03 0.00 -1.51 0.00 0.00 37.83 32.01 1mb1 s LYS 65 CO -0.03 -1.28 1.09 0.08 -0.36 0.00 0.00 175.35 174.85 1mb1 s VAL 66 N 0.75 4.32 -0.10 4.02 1.01 0.54 -4.96 120.40 125.98 1mb1 s VAL 66 Ca 0.11 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.38 1mb1 s VAL 66 Cb -0.20 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.66 1mb1 s VAL 66 CO -0.04 -0.86 -0.17 -1.10 0.00 0.00 0.00 175.10 172.93 1mb1 s GLN 67 N 4.17 2.31 0.00 2.72 -0.21 -1.26 -1.30 119.66 126.09 1mb1 s GLN 67 Ca 0.46 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 55.23 1mb1 s GLN 67 Cb -0.09 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.05 1mb1 s GLN 67 CO 0.27 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 1mb1 n GLY 68 N 3.92 0.22 0.00 3.09 0.00 -1.26 -5.09 105.19 106.07 1mb1 n GLY 68 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1mb1 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mb1 n GLY 69 N 0.00 4.99 3.68 -0.02 0.00 -1.26 -5.08 105.19 107.50 1mb1 n GLY 69 Ca 0.00 -0.76 -0.49 0.00 0.00 0.00 0.00 46.02 44.77 1mb1 n GLY 69 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1mb1 n PHE 70 N 0.00 2.26 -0.33 1.61 -0.00 -1.26 -4.82 117.46 114.92 1mb1 n PHE 70 Ca 0.00 0.13 0.21 0.00 -0.00 0.00 0.00 57.45 57.79 1mb1 n PHE 70 Cb 0.00 -2.61 0.41 0.00 -0.00 0.00 0.00 39.48 37.28 1mb1 n PHE 70 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1mb1 h GLY 71 N 8.24 1.66 -1.44 7.13 0.00 -1.98 0.27 103.07 116.96 1mb1 h GLY 71 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1mb1 h GLY 71 CO 0.93 -0.61 0.00 0.58 0.00 0.00 0.00 176.54 177.45 1mb1 n LYS 72 N -5.37 2.06 -0.07 4.80 2.85 -1.26 -3.39 118.16 117.79 1mb1 n LYS 72 Ca 0.29 -1.59 -0.15 0.00 -1.05 0.00 0.00 58.31 55.80 1mb1 n LYS 72 Cb 0.95 -1.45 -0.14 0.00 -0.65 0.00 0.00 35.03 33.75 1mb1 n LYS 72 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1mb1 n TYR 73 N 0.83 0.54 -0.81 5.58 9.36 0.89 -4.94 117.16 128.60 1mb1 n TYR 73 Ca 0.17 0.14 -0.33 0.00 3.32 0.00 0.00 57.90 61.20 1mb1 n TYR 73 Cb 0.46 -1.08 0.12 0.00 -0.63 0.00 0.00 39.34 38.20 1mb1 n TYR 73 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1mb1 n GLN 74 N -3.16 -0.27 0.00 2.98 6.02 -0.81 -4.93 117.38 117.20 1mb1 n GLN 74 Ca -0.34 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 1mb1 n GLN 74 Cb 1.06 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1mb1 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mb1 n GLY 75 N 1.51 0.69 3.61 1.08 0.00 -0.42 -4.92 105.19 106.75 1mb1 n GLY 75 Ca 0.07 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1mb1 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mb1 s THR 76 N -0.79 4.96 -0.05 2.61 2.01 -1.26 0.20 115.64 123.32 1mb1 s THR 76 Ca 0.00 0.92 -0.01 0.00 0.31 0.00 0.00 61.69 62.91 1mb1 s THR 76 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1mb1 s THR 76 CO 0.00 -0.09 0.04 0.26 -0.69 0.00 0.00 174.62 174.14 1mb1 s TRP 77 N 2.57 3.22 0.04 4.92 0.52 0.11 -0.17 118.94 130.15 1mb1 s TRP 77 Ca 0.25 0.20 -0.00 0.00 0.02 0.00 0.00 56.10 56.57 1mb1 s TRP 77 Cb -0.15 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1mb1 s TRP 77 CO 0.11 0.52 -0.03 0.14 0.02 0.00 0.00 176.95 177.70 1mb1 s VAL 78 N -1.03 0.19 0.53 4.03 -7.23 -0.73 -1.32 120.40 114.84 1mb1 s VAL 78 Ca 0.18 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 58.76 1mb1 s VAL 78 Cb -0.12 -0.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.78 1mb1 s VAL 78 CO 0.08 -0.76 0.42 -2.65 -0.31 0.00 0.00 175.10 171.88 1mb1 n PRO 79 N 0.80 0.44 -0.30 4.82 -0.02 -1.26 -0.96 135.00 138.52 1mb1 n PRO 79 Ca -0.19 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.58 1mb1 n PRO 79 Cb 0.58 -1.55 0.29 0.00 -0.02 0.00 0.00 33.50 32.79 1mb1 n PRO 79 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1mb1 h LEU 80 N 0.31 0.30 -0.85 2.45 5.85 -1.86 -1.17 115.31 120.34 1mb1 h LEU 80 Ca -0.44 0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 1mb1 h LEU 80 Cb 1.41 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1mb1 h LEU 80 CO 0.47 0.01 -0.31 -0.55 -0.34 0.00 0.00 178.44 177.72 1mb1 h ASN 81 N 0.40 0.50 1.16 1.25 -1.07 -1.91 -1.05 115.58 114.86 1mb1 h ASN 81 Ca 0.54 -0.19 -0.09 0.00 0.07 0.00 0.00 56.30 56.62 1mb1 h ASN 81 Cb 0.99 -0.14 -0.01 0.00 -2.07 0.00 0.00 38.32 37.09 1mb1 h ASN 81 CO -0.52 0.79 -0.44 0.40 0.07 0.00 0.00 177.43 177.74 1mb1 h ILE 82 N 0.42 0.87 -0.13 6.14 2.04 -1.64 -2.30 117.51 122.91 1mb1 h ILE 82 Ca 0.05 -1.86 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 1mb1 h ILE 82 Cb 0.76 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1mb1 h ILE 82 CO 0.06 0.43 -0.27 0.00 0.00 0.00 0.00 178.15 178.37 1mb1 h ALA 83 N 1.56 0.21 -0.61 1.87 0.00 -0.58 -1.94 119.26 119.77 1mb1 h ALA 83 Ca -0.00 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.58 1mb1 h ALA 83 Cb 1.14 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1mb1 h ALA 83 CO 0.06 0.21 0.28 0.87 0.00 0.00 0.00 179.25 180.67 1mb1 h LYS 84 N 0.02 0.49 0.21 0.00 1.57 -1.14 -0.25 116.57 117.47 1mb1 h LYS 84 Ca 0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1mb1 h LYS 84 Cb 0.86 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1mb1 h LYS 84 CO 0.06 0.33 -0.35 0.37 -0.57 0.00 0.00 179.45 179.29 1mb1 h GLN 85 N 0.51 -0.61 -0.39 3.15 4.15 -1.25 -0.89 115.11 119.77 1mb1 h GLN 85 Ca 0.30 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.84 1mb1 h GLN 85 Cb 0.29 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.05 1mb1 h GLN 85 CO -0.25 -0.41 -0.08 1.25 -1.93 0.00 0.00 178.83 177.41 1mb1 h LEU 86 N -0.64 -0.33 -0.43 -2.39 5.85 -1.20 0.38 115.31 116.55 1mb1 h LEU 86 Ca 0.01 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1mb1 h LEU 86 Cb 0.63 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1mb1 h LEU 86 CO -0.15 -0.12 0.27 0.00 -0.34 0.00 0.00 178.44 178.10 1mb1 h ALA 87 N 1.39 0.54 -0.65 1.25 0.00 -0.50 -0.88 119.26 120.41 1mb1 h ALA 87 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1mb1 h ALA 87 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1mb1 h ALA 87 CO -0.39 -0.03 0.25 1.49 0.00 0.00 0.00 179.25 180.56 1mb1 h GLU 88 N 0.55 0.96 -0.65 0.00 4.57 -0.87 0.49 114.58 119.63 1mb1 h GLU 88 Ca 0.16 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1mb1 h GLU 88 Cb -0.03 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 1mb1 h GLU 88 CO -0.05 0.79 0.37 -0.22 -1.18 0.00 0.00 179.01 178.72 1mb1 h LYS 89 N 0.94 0.89 -0.53 1.92 3.64 0.98 -2.07 116.57 122.33 1mb1 h LYS 89 Ca 0.22 -0.08 -0.24 0.00 -1.27 0.00 0.00 60.65 59.27 1mb1 h LYS 89 Cb 0.20 -0.18 -0.14 0.00 -0.41 0.00 0.00 32.23 31.69 1mb1 h LYS 89 CO -0.02 0.64 0.14 1.19 -2.27 0.00 0.00 179.45 179.14 1mb1 n PHE 90 N -4.39 1.69 -3.14 1.91 3.72 -0.46 -4.99 117.46 111.80 1mb1 n PHE 90 Ca 0.06 -1.52 -0.11 0.00 -0.05 0.00 0.00 57.45 55.84 1mb1 n PHE 90 Cb 0.09 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1mb1 n PHE 90 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1mb1 n SER 91 N -0.94 -1.77 -0.02 4.37 3.41 -0.67 -4.82 113.62 113.18 1mb1 n SER 91 Ca 0.39 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1mb1 n SER 91 Cb 1.21 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1mb1 n SER 91 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1mb1 n VAL 92 N -1.51 0.50 -0.16 -3.33 0.31 0.16 -4.71 118.33 109.61 1mb1 n VAL 92 Ca -0.11 -0.52 -0.10 0.00 -0.01 0.00 0.00 64.34 63.61 1mb1 n VAL 92 Cb 0.26 0.72 -0.00 0.00 -0.91 0.00 0.00 33.84 33.90 1mb1 n VAL 92 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1mb1 h TYR 93 N 0.00 0.81 -0.01 3.52 3.20 -1.74 -2.47 116.97 120.28 1mb1 h TYR 93 Ca 0.00 -0.12 -0.12 0.00 3.14 0.00 0.00 58.73 61.63 1mb1 h TYR 93 Cb 0.79 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1mb1 h TYR 93 CO 0.00 0.77 -0.56 -0.44 -1.64 0.00 0.00 178.16 176.29 1mb1 h ASP 94 N 0.62 0.02 0.80 -2.11 3.32 -1.89 -1.97 116.42 115.21 1mb1 h ASP 94 Ca 0.14 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 1mb1 h ASP 94 Cb 0.41 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1mb1 h ASP 94 CO 0.01 0.58 -0.70 1.56 -1.72 0.00 0.00 179.24 178.97 1mb1 h GLN 95 N 0.02 0.00 -0.03 3.56 4.20 -1.80 -3.26 115.11 117.80 1mb1 h GLN 95 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1mb1 h GLN 95 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1mb1 h GLN 95 CO 0.07 0.70 -0.09 1.28 -0.67 0.00 0.00 178.83 180.13 1mb1 n LEU 96 N -3.61 2.69 -0.30 1.46 4.77 -0.97 -4.27 117.00 116.77 1mb1 n LEU 96 Ca -0.01 -0.95 -0.02 0.00 -0.03 0.00 0.00 56.01 55.00 1mb1 n LEU 96 Cb 0.71 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.83 1mb1 n LEU 96 CO 0.43 0.46 0.62 0.11 -1.33 0.00 0.00 177.39 177.68 1mb1 h LYS 97 N 3.99 -0.06 -0.67 3.23 1.79 -1.40 0.54 116.57 123.98 1mb1 h LYS 97 Ca 0.00 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.60 1mb1 h LYS 97 Cb 0.89 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.47 1mb1 h LYS 97 CO 0.00 -0.04 0.23 -1.00 -1.08 0.00 0.00 179.45 177.56 1mb1 h PRO 98 N -0.07 0.37 -0.22 3.15 0.13 -1.81 -1.11 132.00 132.44 1mb1 h PRO 98 Ca 0.31 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.34 1mb1 h PRO 98 Cb 0.58 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1mb1 h PRO 98 CO -0.85 0.24 -0.16 1.25 -0.23 0.00 0.00 178.00 178.26 1mb1 h LEU 99 N 0.38 0.52 0.00 1.56 5.85 -0.69 -3.52 115.31 119.41 1mb1 h LEU 99 Ca 0.36 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1mb1 h LEU 99 Cb 0.52 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1mb1 h LEU 99 CO -0.38 0.85 0.00 0.49 -0.34 0.00 0.00 178.44 179.06