#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr6 s GLN 2 N 0.00 2.04 0.31 0.03 1.11 -1.26 0.32 119.66 122.21 1mr6 s GLN 2 Ca 0.00 -1.35 0.05 0.00 0.01 0.00 0.00 55.36 54.07 1mr6 s GLN 2 Cb 0.00 -2.87 -0.06 0.00 -1.01 0.00 0.00 33.01 29.07 1mr6 s GLN 2 CO 0.00 -0.62 -0.00 0.00 0.01 0.00 0.00 175.29 174.67 1mr6 s LYS 4 N -3.79 3.54 -0.44 0.00 1.02 -1.26 -3.69 119.74 115.11 1mr6 s LYS 4 Ca 0.33 -3.02 0.08 0.00 0.02 0.00 0.00 55.97 53.38 1mr6 s LYS 4 Cb 0.06 -4.20 0.40 0.00 -0.52 0.00 0.00 37.83 33.57 1mr6 s LYS 4 CO 0.14 -1.25 1.01 -2.37 -0.92 0.00 0.00 175.35 171.96 1mr6 n THR 5 N 2.89 2.04 0.00 2.17 5.66 -1.26 -4.06 114.28 121.71 1mr6 n THR 5 Ca 0.19 -4.70 0.00 0.00 -3.05 0.00 0.00 64.05 56.49 1mr6 n THR 5 Cb 0.40 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 1mr6 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mr6 n SER 7 N 0.00 0.00 -3.05 0.00 2.88 -1.26 -4.08 113.62 108.10 1mr6 n SER 7 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1mr6 n SER 7 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1mr6 n SER 7 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1mr6 n PHE 8 N -1.36 -2.09 0.11 0.66 7.35 -1.26 -4.39 117.46 116.47 1mr6 n PHE 8 Ca 0.00 -0.12 -0.03 0.00 -0.76 0.00 0.00 57.45 56.54 1mr6 n PHE 8 Cb 0.00 -0.23 0.04 0.00 0.35 0.00 0.00 39.48 39.64 1mr6 n PHE 8 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1mr6 h TYR 9 N -2.17 0.00 -2.90 -5.13 3.20 -1.93 -3.45 116.97 104.59 1mr6 h TYR 9 Ca -0.06 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 1mr6 h TYR 9 Cb 0.21 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.31 1mr6 h TYR 9 CO 0.00 0.76 -0.08 -0.08 -1.64 0.00 0.00 178.16 177.12 1mr6 s THR 10 N -3.16 0.05 -0.07 1.81 -1.32 -1.26 -5.01 115.64 106.68 1mr6 s THR 10 Ca 0.00 -0.39 -0.03 0.00 -1.21 0.00 0.00 61.69 60.07 1mr6 s THR 10 Cb 0.11 -0.91 0.04 0.00 -1.51 0.00 0.00 72.50 70.23 1mr6 s THR 10 CO 0.78 -0.21 0.09 0.00 -2.21 0.00 0.00 174.62 173.07 1mr6 h PRO 12 N 8.41 0.00 0.00 0.00 0.13 -2.01 -3.43 132.00 135.10 1mr6 h PRO 12 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1mr6 h PRO 12 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1mr6 h PRO 12 CO 0.17 0.22 0.00 0.09 -0.23 0.00 0.00 178.00 178.25 1mr6 n ASN 13 N -3.21 0.00 -3.55 1.44 3.02 -1.26 -5.11 115.26 106.59 1mr6 n ASN 13 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.45 1mr6 n ASN 13 Cb 0.55 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mr6 s SER 14 N -1.21 0.44 -0.36 6.41 0.01 -1.26 -5.06 113.70 112.68 1mr6 s SER 14 Ca 0.00 -1.26 0.05 0.00 1.31 0.00 0.00 55.95 56.05 1mr6 s SER 14 Cb 0.00 0.63 0.17 0.00 0.21 0.00 0.00 66.02 67.03 1mr6 s SER 14 CO 0.00 -1.24 0.52 -0.70 0.41 0.00 0.00 173.24 172.23 1mr6 s GLU 15 N -3.42 0.65 -0.74 12.44 2.12 -1.24 -5.03 118.70 123.48 1mr6 s GLU 15 Ca 0.27 -0.17 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 1mr6 s GLU 15 Cb -0.00 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.26 1mr6 s GLU 15 CO 0.15 -1.14 1.57 0.99 -0.54 0.00 0.00 175.26 176.29 1mr6 s THR 16 N 2.08 3.59 0.98 -1.70 2.01 -1.26 -2.12 115.64 119.21 1mr6 s THR 16 Ca 0.14 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 1mr6 s THR 16 Cb -0.09 -4.50 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 1mr6 s THR 16 CO -0.14 -1.45 -0.10 0.00 -0.69 0.00 0.00 174.62 172.23 1mr6 n PRO 18 N -0.21 -2.20 -0.66 0.00 -0.04 -1.26 -4.00 135.00 126.64 1mr6 n PRO 18 Ca 0.03 -1.42 -0.08 0.00 -0.04 0.00 0.00 63.50 62.00 1mr6 n PRO 18 Cb 0.56 -1.21 0.02 0.00 -0.04 0.00 0.00 33.50 32.83 1mr6 n PRO 18 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mr6 n ASP 19 N -4.23 5.71 0.00 3.54 8.00 -1.26 -2.09 116.55 126.22 1mr6 n ASP 19 Ca 0.12 -2.69 0.00 0.00 0.71 0.00 0.00 54.79 52.93 1mr6 n ASP 19 Cb 0.45 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1mr6 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mr6 n GLY 20 N 0.92 0.00 0.00 0.44 0.00 -1.26 -4.94 105.19 100.35 1mr6 n GLY 20 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1mr6 n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mr6 n LYS 21 N -1.91 0.34 -0.06 1.61 3.00 -1.24 -4.93 118.16 114.98 1mr6 n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1mr6 n LYS 21 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.28 1mr6 n LYS 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1mr6 n ASN 22 N -2.66 0.00 -3.71 3.14 3.02 -1.05 -2.83 115.26 111.17 1mr6 n ASN 22 Ca 0.00 -0.59 -0.06 0.00 -0.03 0.00 0.00 54.58 53.90 1mr6 n ASN 22 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1mr6 n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mr6 s ILE 23 N 0.00 0.00 0.06 2.41 1.01 0.66 -4.81 121.20 120.52 1mr6 s ILE 23 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1mr6 s ILE 23 Cb 0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1mr6 s ILE 23 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 174.94 174.93 1mr6 s VAL 25 N -1.21 -0.85 -0.03 0.00 -7.23 -1.10 -2.97 120.40 107.01 1mr6 s VAL 25 Ca 0.23 -0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1mr6 s VAL 25 Cb -0.12 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1mr6 s VAL 25 CO 0.15 -0.06 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.21 1mr6 s LYS 26 N 2.74 2.61 0.02 4.82 -2.85 -1.00 -2.71 119.74 123.37 1mr6 s LYS 26 Ca 0.17 -0.66 0.07 0.00 -1.00 0.00 0.00 55.97 54.54 1mr6 s LYS 26 Cb -0.15 -2.52 -0.03 0.00 -2.06 0.00 0.00 37.83 33.08 1mr6 s LYS 26 CO -0.20 0.63 -0.18 1.03 0.10 0.00 0.00 175.35 176.72 1mr6 s ARG 27 N -1.12 2.14 0.08 1.78 1.81 -0.51 -1.86 118.95 121.28 1mr6 s ARG 27 Ca 0.15 -0.93 0.02 0.00 -1.72 0.00 0.00 55.73 53.24 1mr6 s ARG 27 Cb -0.11 -2.21 -0.04 0.00 -0.45 0.00 0.00 34.95 32.15 1mr6 s ARG 27 CO 0.04 0.55 -0.07 -1.12 -0.68 0.00 0.00 175.30 174.03 1mr6 s SER 28 N -1.27 1.04 -0.09 0.23 0.01 -1.08 -0.71 113.70 111.83 1mr6 s SER 28 Ca 0.14 -0.87 -0.26 0.00 1.31 0.00 0.00 55.95 56.26 1mr6 s SER 28 Cb -0.10 0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.27 1mr6 s SER 28 CO 0.04 -0.39 0.61 -1.66 0.41 0.00 0.00 173.24 172.24 1mr6 s TRP 29 N -2.98 -0.59 0.36 2.43 -2.14 -1.02 -3.03 118.94 111.97 1mr6 s TRP 29 Ca 0.05 1.14 -0.24 0.00 2.66 0.00 0.00 56.10 59.71 1mr6 s TRP 29 Cb 0.01 0.31 -0.10 0.00 -3.10 0.00 0.00 33.47 30.59 1mr6 s TRP 29 CO -0.03 -0.50 0.96 0.95 -2.66 0.00 0.00 176.95 175.67 1mr6 s THR 30 N -0.81 4.17 0.00 0.66 -4.23 -1.25 -0.92 115.64 113.27 1mr6 s THR 30 Ca -0.09 1.65 0.00 0.00 -1.18 0.00 0.00 61.69 62.08 1mr6 s THR 30 Cb -0.02 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1mr6 s THR 30 CO 0.07 -0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.15 1mr6 n ALA 31 N 0.14 0.00 -3.46 3.99 0.00 0.11 -4.92 120.51 116.38 1mr6 n ALA 31 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1mr6 n ALA 31 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1mr6 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mr6 s VAL 32 N -1.74 -0.49 0.00 0.00 0.11 -1.26 -3.95 120.40 113.07 1mr6 s VAL 32 Ca 0.00 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1mr6 s VAL 32 Cb 0.00 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1mr6 s VAL 32 CO 0.00 -0.11 0.00 0.54 -3.33 0.00 0.00 175.10 172.20 1mr6 n ARG 33 N 5.35 0.00 0.00 1.54 5.12 -1.26 -5.03 116.66 122.38 1mr6 n ARG 33 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1mr6 n ARG 33 Cb 0.50 -0.17 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mr6 n GLY 34 N 2.81 0.07 0.00 -0.13 0.00 -1.26 -4.92 105.19 101.75 1mr6 n GLY 34 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1mr6 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mr6 n ASP 35 N -1.63 0.58 -4.81 1.61 -0.08 -1.26 -5.05 116.55 105.90 1mr6 n ASP 35 Ca 0.00 -1.01 -0.35 0.00 -1.51 0.00 0.00 54.79 51.93 1mr6 n ASP 35 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mr6 s GLY 36 N -0.01 2.55 0.00 0.27 0.00 -1.26 -5.07 107.32 103.80 1mr6 s GLY 36 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1mr6 s GLY 36 CO 0.00 0.64 0.00 -1.55 0.00 0.00 0.00 173.10 172.19 1mr6 n PRO 37 N 0.08 0.74 0.00 2.90 -0.04 -1.26 -4.47 135.00 132.95 1mr6 n PRO 37 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1mr6 n PRO 37 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1mr6 n PRO 37 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mr6 n LYS 38 N -0.23 0.00 -3.11 0.54 4.01 -1.25 -4.28 118.16 113.83 1mr6 n LYS 38 Ca 0.00 0.31 -0.45 0.00 -0.51 0.00 0.00 58.31 57.66 1mr6 n LYS 38 Cb 0.00 -0.79 -0.04 0.00 -0.51 0.00 0.00 35.03 33.69 1mr6 n LYS 38 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1mr6 s ARG 39 N -0.76 3.20 -0.31 1.97 6.06 -1.25 0.07 118.95 127.94 1mr6 s ARG 39 Ca 0.00 -1.54 -0.18 0.00 -2.50 0.00 0.00 55.73 51.51 1mr6 s ARG 39 Cb 0.00 -4.39 -0.01 0.00 0.06 0.00 0.00 34.95 30.61 1mr6 s ARG 39 CO 0.00 -1.55 0.49 -1.83 -2.50 0.00 0.00 175.30 169.92 1mr6 s GLU 40 N 2.35 3.80 0.19 5.12 1.03 -0.10 -4.70 118.70 126.38 1mr6 s GLU 40 Ca 0.16 -0.00 0.10 0.00 0.03 0.00 0.00 54.97 55.26 1mr6 s GLU 40 Cb -0.19 -3.75 -0.04 0.00 -0.80 0.00 0.00 34.13 29.35 1mr6 s GLU 40 CO 0.02 -0.51 -0.19 -1.50 -1.33 0.00 0.00 175.26 171.75 1mr6 s ILE 41 N 2.33 2.67 0.42 1.83 -1.16 -1.26 -2.42 121.20 123.60 1mr6 s ILE 41 Ca 0.19 -1.90 0.05 0.00 -0.51 0.00 0.00 60.65 58.47 1mr6 s ILE 41 Cb -0.16 -2.30 -0.06 0.00 0.61 0.00 0.00 42.46 40.56 1mr6 s ILE 41 CO 0.12 -0.12 0.03 -0.60 -2.81 0.00 0.00 174.94 171.56 1mr6 s ARG 42 N -2.74 1.96 -0.24 3.50 3.52 0.11 -4.62 118.95 120.44 1mr6 s ARG 42 Ca 0.22 -2.15 -0.15 0.00 -0.13 0.00 0.00 55.73 53.52 1mr6 s ARG 42 Cb -0.08 -1.38 0.07 0.00 -1.56 0.00 0.00 34.95 32.00 1mr6 s ARG 42 CO 0.12 -0.19 0.59 -0.98 -0.81 0.00 0.00 175.30 174.03 1mr6 s ARG 43 N -3.79 0.62 0.31 5.12 3.03 -1.26 -1.42 118.95 121.57 1mr6 s ARG 43 Ca 0.27 1.03 0.03 0.00 2.03 0.00 0.00 55.73 59.09 1mr6 s ARG 43 Cb 0.07 0.13 -0.04 0.00 -1.03 0.00 0.00 34.95 34.08 1mr6 s ARG 43 CO 0.13 -0.14 0.12 -1.21 -1.13 0.00 0.00 175.30 173.07 1mr6 s GLU 44 N 1.32 1.60 -0.13 3.89 2.02 -1.10 -4.21 118.70 122.08 1mr6 s GLU 44 Ca -0.08 -1.91 -0.09 0.00 0.02 0.00 0.00 54.97 52.91 1mr6 s GLU 44 Cb -0.06 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 1mr6 s GLU 44 CO -0.14 -0.37 0.17 0.00 0.02 0.00 0.00 175.26 174.95 1mr6 n ALA 46 N 2.49 0.00 -2.37 0.00 0.00 -0.38 -4.91 120.51 115.34 1mr6 n ALA 46 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1mr6 n ALA 46 Cb 0.54 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 1mr6 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mr6 n ALA 47 N -3.00 3.70 -3.02 0.00 0.00 -1.26 0.24 120.51 117.16 1mr6 n ALA 47 Ca 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1mr6 n ALA 47 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1mr6 n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1mr6 n THR 48 N -0.61 0.00 -2.72 0.00 -1.04 -1.26 -4.94 114.28 103.72 1mr6 n THR 48 Ca 0.24 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.18 1mr6 n THR 48 Cb 0.89 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.46 1mr6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mr6 s PRO 50 N 0.49 4.60 -0.08 0.00 0.04 -1.26 -4.97 135.00 133.82 1mr6 s PRO 50 Ca 0.29 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 1mr6 s PRO 50 Cb 0.21 -3.07 -0.29 0.00 0.04 0.00 0.00 34.50 31.39 1mr6 s PRO 50 CO -0.17 0.22 0.81 -1.00 0.04 0.00 0.00 177.00 176.90 1mr6 h PRO 51 N 3.61 0.21 -2.55 0.56 0.13 -1.94 -3.36 132.00 128.65 1mr6 h PRO 51 Ca -0.47 -0.35 -0.05 0.00 -0.87 0.00 0.00 66.00 64.26 1mr6 h PRO 51 Cb 1.21 0.13 -0.16 0.00 0.13 0.00 0.00 31.00 32.31 1mr6 h PRO 51 CO 0.66 1.17 0.12 -1.12 -0.23 0.00 0.00 178.00 178.60 1mr6 s SER 52 N -6.78 -0.54 0.00 1.44 0.01 -1.26 -3.78 113.70 102.78 1mr6 s SER 52 Ca -0.16 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1mr6 s SER 52 Cb 0.00 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1mr6 s SER 52 CO 0.78 -0.73 0.00 1.17 0.41 0.00 0.00 173.24 174.88 1mr6 n LYS 53 N 0.44 0.00 -0.10 12.44 0.00 -1.26 -4.98 118.16 124.70 1mr6 n LYS 53 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 57.94 1mr6 n LYS 53 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.55 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1mr6 n LEU 54 N -1.42 1.87 0.00 3.14 4.32 -1.26 -4.90 117.00 118.75 1mr6 n LEU 54 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 1mr6 n LEU 54 Cb 0.00 -0.90 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1mr6 n LEU 54 CO 0.00 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 176.89 1mr6 n GLY 55 N 1.45 0.00 3.55 -0.72 0.00 -1.26 -5.16 105.19 103.05 1mr6 n GLY 55 Ca -0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1mr6 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mr6 s LEU 56 N 0.00 2.76 -0.25 0.99 1.02 -1.26 -4.91 118.68 117.03 1mr6 s LEU 56 Ca 0.00 -1.14 -0.08 0.00 0.02 0.00 0.00 54.13 52.94 1mr6 s LEU 56 Cb 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 1mr6 s LEU 56 CO 0.00 -0.18 0.08 -0.89 0.02 0.00 0.00 176.35 175.38 1mr6 s THR 57 N -2.58 4.39 0.33 5.49 2.01 -1.17 -4.28 115.64 119.84 1mr6 s THR 57 Ca 0.33 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.16 1mr6 s THR 57 Cb 0.01 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1mr6 s THR 57 CO 0.17 0.33 0.57 -0.69 -0.69 0.00 0.00 174.62 174.31 1mr6 s VAL 58 N 1.62 5.06 -0.27 3.82 1.01 -1.25 -2.64 120.40 127.74 1mr6 s VAL 58 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1mr6 s VAL 58 Cb -0.15 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.57 1mr6 s VAL 58 CO 0.04 -0.48 0.38 0.12 0.00 0.00 0.00 175.10 175.16 1mr6 s PHE 59 N -2.25 -0.86 0.52 5.22 5.36 -0.77 -4.90 117.98 120.29 1mr6 s PHE 59 Ca 0.42 0.47 0.07 0.00 -0.96 0.00 0.00 56.93 56.93 1mr6 s PHE 59 Cb -0.10 -0.12 0.04 0.00 -0.34 0.00 0.00 43.02 42.49 1mr6 s PHE 59 CO 0.34 -0.87 0.52 0.00 -1.46 0.00 0.00 175.22 173.75 1mr6 n THR 62 N 0.13 1.03 -3.49 0.00 -2.24 -1.26 -2.86 114.28 105.59 1mr6 n THR 62 Ca -0.18 -4.69 -0.16 0.00 -2.27 0.00 0.00 64.05 56.75 1mr6 n THR 62 Cb 0.62 -2.04 -0.05 0.00 -2.10 0.00 0.00 70.33 66.77 1mr6 n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mr6 s THR 63 N -1.92 0.00 -0.20 4.28 2.01 -1.26 -5.10 115.64 113.45 1mr6 s THR 63 Ca 0.38 0.00 -0.41 0.00 0.31 0.00 0.00 61.69 61.96 1mr6 s THR 63 Cb 0.16 -1.00 -0.18 0.00 0.01 0.00 0.00 72.50 71.49 1mr6 s THR 63 CO -0.05 0.00 1.46 -0.90 -0.69 0.00 0.00 174.62 174.44 1mr6 n ASP 64 N 0.47 1.33 -2.53 3.53 5.75 -1.24 -3.15 116.55 120.70 1mr6 n ASP 64 Ca -0.18 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.73 1mr6 n ASP 64 Cb 0.60 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1mr6 n ASP 64 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1mr6 n ASN 65 N 3.48 -5.50 -3.35 -1.12 3.02 0.18 -4.89 115.26 107.08 1mr6 n ASN 65 Ca 0.25 0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 55.15 1mr6 n ASN 65 Cb 0.07 -1.22 -0.07 0.00 -0.61 0.00 0.00 39.78 37.95 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mr6 n ASN 67 N 4.46 0.00 0.00 0.00 5.03 -1.26 -4.13 115.26 119.36 1mr6 n ASN 67 Ca 0.09 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.67 1mr6 n ASN 67 Cb 0.47 0.00 0.76 0.00 -1.02 0.00 0.00 39.78 39.99 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43