#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr6 n GLN 2 N 0.00 0.56 -4.59 3.17 6.02 -1.25 -2.86 117.38 118.44 1mr6 n GLN 2 Ca 0.00 -1.96 -0.22 0.00 -0.01 0.00 0.00 57.00 54.81 1mr6 n GLN 2 Cb 0.00 -1.43 -0.15 0.00 1.02 0.00 0.00 30.24 29.68 1mr6 n GLN 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mr6 s LYS 4 N -0.16 1.74 -0.37 0.00 -0.14 -1.26 -4.64 119.74 114.90 1mr6 s LYS 4 Ca 0.02 -0.95 0.12 0.00 -1.36 0.00 0.00 55.97 53.80 1mr6 s LYS 4 Cb -0.07 -2.30 0.41 0.00 -1.68 0.00 0.00 37.83 34.19 1mr6 s LYS 4 CO 0.00 -1.42 1.14 0.25 -0.76 0.00 0.00 175.35 174.56 1mr6 n THR 5 N -2.85 0.36 -2.63 2.17 -2.24 -1.26 -4.50 114.28 103.33 1mr6 n THR 5 Ca 0.14 -2.30 -0.27 0.00 -2.27 0.00 0.00 64.05 59.35 1mr6 n THR 5 Cb 0.60 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1mr6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 h SER 7 N 0.22 0.23 -4.07 0.00 0.87 -1.96 -3.43 113.55 105.41 1mr6 h SER 7 Ca -0.47 -0.01 -0.45 0.00 -1.23 0.00 0.00 61.79 59.63 1mr6 h SER 7 Cb 1.21 -0.06 0.15 0.00 -0.44 0.00 0.00 62.40 63.25 1mr6 h SER 7 CO 0.62 0.16 0.26 -0.36 -0.53 0.00 0.00 176.83 176.98 1mr6 s PHE 8 N -5.27 2.18 -0.59 2.24 0.08 -1.26 -4.95 117.98 110.40 1mr6 s PHE 8 Ca -0.07 0.82 -0.00 0.00 0.12 0.00 0.00 56.93 57.80 1mr6 s PHE 8 Cb 0.17 -3.40 0.46 0.00 -0.57 0.00 0.00 43.02 39.68 1mr6 s PHE 8 CO 0.70 -2.67 1.89 2.48 -0.10 0.00 0.00 175.22 177.53 1mr6 n TYR 9 N -3.97 3.12 -2.82 0.36 0.18 -1.26 -4.74 117.16 108.03 1mr6 n TYR 9 Ca 0.07 -2.83 0.02 0.00 1.88 0.00 0.00 57.90 57.04 1mr6 n TYR 9 Cb 0.59 -1.25 0.00 0.00 -0.38 0.00 0.00 39.34 38.31 1mr6 n TYR 9 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1mr6 s THR 10 N -4.69 -0.27 -0.60 -3.48 -1.32 0.19 -4.74 115.64 100.73 1mr6 s THR 10 Ca 0.62 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.11 1mr6 s THR 10 Cb 0.49 -0.02 0.15 0.00 -1.51 0.00 0.00 72.50 71.61 1mr6 s THR 10 CO 0.00 0.00 0.38 0.00 -2.21 0.00 0.00 174.62 172.79 1mr6 n PRO 12 N 3.16 0.92 0.00 0.00 -0.04 -1.26 -4.24 135.00 133.54 1mr6 n PRO 12 Ca 0.08 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1mr6 n PRO 12 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1mr6 n PRO 12 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1mr6 n ASN 13 N -0.95 0.00 -2.95 3.54 5.15 -1.26 -4.86 115.26 113.92 1mr6 n ASN 13 Ca 0.21 0.92 -0.08 0.00 -0.60 0.00 0.00 54.58 55.03 1mr6 n ASN 13 Cb 0.17 -0.42 0.01 0.00 -0.53 0.00 0.00 39.78 39.01 1mr6 n ASN 13 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1mr6 n SER 14 N -1.79 1.35 0.16 1.20 7.64 -1.26 -5.07 113.62 115.85 1mr6 n SER 14 Ca 0.00 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.28 1mr6 n SER 14 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1mr6 n SER 14 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1mr6 n GLU 15 N -1.06 0.00 -1.69 1.43 0.28 -1.26 -4.72 120.64 113.62 1mr6 n GLU 15 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.58 1mr6 n GLU 15 Cb 0.21 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.04 1mr6 n GLU 15 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1mr6 n THR 16 N -3.16 0.32 -2.09 3.84 -1.04 -1.26 0.77 114.28 111.66 1mr6 n THR 16 Ca 0.00 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 1mr6 n THR 16 Cb 0.00 -2.07 0.03 0.00 -1.82 0.00 0.00 70.33 66.47 1mr6 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mr6 s PRO 18 N -5.17 -0.77 -1.15 0.00 0.04 -1.26 -4.90 135.00 121.80 1mr6 s PRO 18 Ca 0.55 0.10 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 1mr6 s PRO 18 Cb -0.11 -1.63 0.07 0.00 0.04 0.00 0.00 34.50 32.87 1mr6 s PRO 18 CO 0.50 -3.44 1.55 -0.51 0.04 0.00 0.00 177.00 175.13 1mr6 s ASP 19 N -3.75 6.69 0.00 6.66 1.11 -1.26 -4.35 116.67 121.77 1mr6 s ASP 19 Ca 0.69 -2.02 0.00 0.00 0.18 0.00 0.00 52.55 51.40 1mr6 s ASP 19 Cb -0.12 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.31 1mr6 s ASP 19 CO 0.57 -1.28 0.00 0.61 1.18 0.00 0.00 175.17 176.24 1mr6 n GLY 20 N 5.97 -1.91 0.00 0.21 0.00 -1.26 -5.13 105.19 103.07 1mr6 n GLY 20 Ca 0.39 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.96 1mr6 n GLY 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1mr6 n LYS 21 N -1.42 1.81 -1.07 1.61 0.00 -1.26 -4.95 118.16 112.88 1mr6 n LYS 21 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1mr6 n LYS 21 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 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 0.00 -0.53 -2.81 -5.58 3.02 -0.84 -4.81 115.26 103.70 1mr6 n ASN 22 Ca 0.00 -1.11 -0.06 0.00 -0.03 0.00 0.00 54.58 53.37 1mr6 n ASN 22 Cb 0.00 0.19 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 1mr6 n ASN 22 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1mr6 n ILE 23 N -0.19 0.00 -3.61 2.41 5.41 0.75 -4.61 119.36 119.52 1mr6 n ILE 23 Ca -0.12 -0.77 -0.40 0.00 1.00 0.00 0.00 62.75 62.46 1mr6 n ILE 23 Cb 0.52 0.84 -0.10 0.00 -0.71 0.00 0.00 39.64 40.18 1mr6 n ILE 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mr6 s VAL 25 N 1.47 2.09 -0.02 0.00 -7.23 -1.03 -1.40 120.40 114.28 1mr6 s VAL 25 Ca 0.02 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 1mr6 s VAL 25 Cb -0.22 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1mr6 s VAL 25 CO 0.04 0.21 0.34 -1.59 -0.31 0.00 0.00 175.10 173.79 1mr6 s LYS 26 N -1.58 0.70 0.37 4.82 -2.85 -1.04 -1.97 119.74 118.18 1mr6 s LYS 26 Ca 0.12 -0.13 0.08 0.00 -1.00 0.00 0.00 55.97 55.03 1mr6 s LYS 26 Cb -0.10 0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 35.91 1mr6 s LYS 26 CO 0.04 -0.19 -0.03 1.03 0.10 0.00 0.00 175.35 176.30 1mr6 s ARG 27 N -1.27 1.87 -0.30 1.78 0.52 -0.51 -1.01 118.95 120.03 1mr6 s ARG 27 Ca -0.13 -2.02 -0.10 0.00 -0.52 0.00 0.00 55.73 52.96 1mr6 s ARG 27 Cb -0.05 -1.59 0.13 0.00 0.52 0.00 0.00 34.95 33.97 1mr6 s ARG 27 CO 0.05 0.01 0.66 -1.54 0.02 0.00 0.00 175.30 174.50 1mr6 s SER 28 N -3.65 -1.14 0.32 0.23 1.04 -0.70 -1.33 113.70 108.47 1mr6 s SER 28 Ca 0.34 1.53 0.05 0.00 0.48 0.00 0.00 55.95 58.36 1mr6 s SER 28 Cb 0.07 2.29 -0.03 0.00 0.10 0.00 0.00 66.02 68.44 1mr6 s SER 28 CO 0.17 -0.22 0.22 -1.66 0.98 0.00 0.00 173.24 172.73 1mr6 s TRP 29 N 2.89 1.67 -0.13 5.02 -2.14 -1.01 -3.03 118.94 122.22 1mr6 s TRP 29 Ca -0.05 -1.54 0.15 0.00 2.66 0.00 0.00 56.10 57.32 1mr6 s TRP 29 Cb -0.12 -0.79 0.34 0.00 -3.10 0.00 0.00 33.47 29.80 1mr6 s TRP 29 CO -0.19 -0.71 1.17 -2.37 -2.66 0.00 0.00 176.95 172.19 1mr6 n THR 30 N -0.62 1.53 0.32 0.66 5.66 -1.26 0.23 114.28 120.79 1mr6 n THR 30 Ca 0.04 -2.25 0.20 0.00 -3.05 0.00 0.00 64.05 58.99 1mr6 n THR 30 Cb 0.63 0.03 1.09 0.00 -1.55 0.00 0.00 70.33 70.54 1mr6 n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mr6 h ALA 31 N 0.59 1.19 -2.65 1.79 0.00 -1.93 -3.38 119.26 114.87 1mr6 h ALA 31 Ca -0.04 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 1mr6 h ALA 31 Cb 1.18 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 1mr6 h ALA 31 CO 0.02 -0.08 -0.32 0.54 0.00 0.00 0.00 179.25 179.41 1mr6 s VAL 32 N -4.24 5.19 -0.37 0.00 0.11 -1.26 -4.99 120.40 114.84 1mr6 s VAL 32 Ca -0.05 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.17 1mr6 s VAL 32 Cb 0.13 -3.78 0.19 0.00 -1.53 0.00 0.00 36.38 31.39 1mr6 s VAL 32 CO 0.41 -0.03 0.60 0.00 -3.33 0.00 0.00 175.10 172.75 1mr6 s ARG 33 N 1.98 0.72 0.10 1.54 3.03 -1.26 -3.94 118.95 121.11 1mr6 s ARG 33 Ca 0.11 -0.00 0.00 0.00 2.03 0.00 0.00 55.73 57.87 1mr6 s ARG 33 Cb -0.16 0.11 0.00 0.00 -1.03 0.00 0.00 34.95 33.87 1mr6 s ARG 33 CO 0.11 -1.14 0.00 0.41 -1.13 0.00 0.00 175.30 173.55 1mr6 n GLY 34 N 4.77 -0.07 0.00 3.88 0.00 -1.26 -4.86 105.19 107.65 1mr6 n GLY 34 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1mr6 n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mr6 n ASP 35 N -3.30 0.92 -3.54 1.61 5.68 -1.26 -5.02 116.55 111.64 1mr6 n ASP 35 Ca 0.00 -0.58 -0.09 0.00 -0.50 0.00 0.00 54.79 53.63 1mr6 n ASP 35 Cb 0.13 1.26 -0.03 0.00 -1.14 0.00 0.00 41.12 41.33 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1mr6 s GLY 36 N -2.98 -0.37 0.07 6.12 0.00 -1.26 -5.14 107.32 103.76 1mr6 s GLY 36 Ca 0.02 1.46 -0.30 0.00 0.00 0.00 0.00 44.72 45.89 1mr6 s GLY 36 CO 0.67 0.61 1.05 2.56 0.00 0.00 0.00 173.10 177.98 1mr6 s PRO 37 N -2.32 4.57 -0.25 2.90 0.04 -1.26 -4.52 135.00 134.16 1mr6 s PRO 37 Ca 0.03 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 1mr6 s PRO 37 Cb -0.01 -3.38 0.07 0.00 0.04 0.00 0.00 34.50 31.22 1mr6 s PRO 37 CO -0.05 -0.02 0.62 0.15 0.04 0.00 0.00 177.00 177.75 1mr6 s LYS 38 N 0.54 0.66 -0.65 4.56 1.02 -1.25 -5.10 119.74 119.52 1mr6 s LYS 38 Ca 0.52 1.05 -0.28 0.00 0.02 0.00 0.00 55.97 57.28 1mr6 s LYS 38 Cb -0.25 0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.26 1mr6 s LYS 38 CO 0.30 -0.13 1.27 1.03 -0.92 0.00 0.00 175.35 176.89 1mr6 s ARG 39 N 1.21 3.33 -0.85 1.68 0.52 -1.26 -4.52 118.95 119.06 1mr6 s ARG 39 Ca -0.07 0.05 -0.23 0.00 -0.52 0.00 0.00 55.73 54.97 1mr6 s ARG 39 Cb -0.05 -4.11 -0.18 0.00 0.52 0.00 0.00 34.95 31.13 1mr6 s ARG 39 CO -0.12 -1.94 2.24 -1.91 0.02 0.00 0.00 175.30 173.59 1mr6 n GLU 40 N 8.91 0.35 -3.11 3.54 4.07 0.61 -4.53 120.64 130.48 1mr6 n GLU 40 Ca 0.07 -0.91 -0.22 0.00 -0.06 0.00 0.00 57.16 56.03 1mr6 n GLU 40 Cb 0.49 -3.30 0.01 0.00 -0.06 0.00 0.00 31.44 28.58 1mr6 n GLU 40 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1mr6 s ILE 41 N 12.97 4.17 0.20 6.31 -5.25 -1.26 -2.39 121.20 135.95 1mr6 s ILE 41 Ca 0.91 -0.56 -0.06 0.00 -0.99 0.00 0.00 60.65 59.95 1mr6 s ILE 41 Cb -0.19 -3.52 -0.02 0.00 2.95 0.00 0.00 42.46 41.67 1mr6 s ILE 41 CO 0.16 -0.34 0.24 -0.60 -1.79 0.00 0.00 174.94 172.61 1mr6 s ARG 42 N -4.47 1.26 -0.03 0.37 3.52 -0.44 -4.91 118.95 114.25 1mr6 s ARG 42 Ca 0.47 -1.43 -0.10 0.00 -0.13 0.00 0.00 55.73 54.53 1mr6 s ARG 42 Cb -0.10 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 1mr6 s ARG 42 CO 0.37 -0.45 0.23 -0.98 -0.81 0.00 0.00 175.30 173.66 1mr6 s ARG 43 N -4.08 0.49 -0.16 5.12 3.03 -1.26 -1.42 118.95 120.67 1mr6 s ARG 43 Ca 0.29 -0.10 -0.33 0.00 2.03 0.00 0.00 55.73 57.62 1mr6 s ARG 43 Cb 0.04 0.22 0.13 0.00 -1.03 0.00 0.00 34.95 34.32 1mr6 s ARG 43 CO 0.08 -0.11 1.14 -1.21 -1.13 0.00 0.00 175.30 174.07 1mr6 s GLU 44 N -0.91 0.41 -0.12 3.89 0.41 -0.83 -4.81 118.70 116.74 1mr6 s GLU 44 Ca -0.10 -0.12 -0.21 0.00 -0.41 0.00 0.00 54.97 54.14 1mr6 s GLU 44 Cb -0.05 0.19 -0.03 0.00 -1.78 0.00 0.00 34.13 32.45 1mr6 s GLU 44 CO 0.02 -0.17 0.60 0.00 -0.49 0.00 0.00 175.26 175.22 1mr6 s ALA 46 N 1.09 1.49 -2.27 0.00 0.00 -1.08 -4.77 121.76 116.23 1mr6 s ALA 46 Ca 0.31 -1.88 0.24 0.00 0.00 0.00 0.00 51.96 50.62 1mr6 s ALA 46 Cb -0.16 1.40 1.00 0.00 0.00 0.00 0.00 23.12 25.35 1mr6 s ALA 46 CO 0.13 -0.68 1.69 0.00 0.00 0.00 0.00 175.76 176.90 1mr6 n ALA 47 N -0.54 2.57 -3.00 0.00 0.00 -1.26 0.27 120.51 118.54 1mr6 n ALA 47 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1mr6 n ALA 47 Cb 0.63 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.02 0.00 -3.93 0.00 -1.04 -1.26 -4.79 114.28 103.24 1mr6 n THR 48 Ca 0.17 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.88 1mr6 n THR 48 Cb 0.27 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.64 1mr6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mr6 n PRO 50 N 3.39 -4.58 0.00 0.00 -0.04 -1.26 -4.88 135.00 127.63 1mr6 n PRO 50 Ca 0.05 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1mr6 n PRO 50 Cb 0.34 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1mr6 n PRO 50 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1mr6 n PRO 51 N -5.39 0.00 -3.66 0.54 -0.04 -1.26 -4.61 135.00 120.59 1mr6 n PRO 51 Ca 0.13 0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 63.93 1mr6 n PRO 51 Cb 0.57 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.94 1mr6 n PRO 51 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1mr6 s SER 52 N -2.24 -0.13 0.00 3.54 0.01 -1.26 -4.57 113.70 109.05 1mr6 s SER 52 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1mr6 s SER 52 Cb 0.00 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1mr6 s SER 52 CO 0.00 -0.53 0.00 1.17 0.41 0.00 0.00 173.24 174.29 1mr6 n LYS 53 N -0.43 0.00 -0.00 12.44 4.81 -1.26 -4.92 118.16 128.80 1mr6 n LYS 53 Ca -0.07 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.39 1mr6 n LYS 53 Cb 0.62 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.64 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1mr6 n LEU 54 N 0.00 0.13 -3.75 3.14 -0.00 -1.26 -4.85 117.00 110.42 1mr6 n LEU 54 Ca 0.00 -0.37 -0.30 0.00 -0.00 0.00 0.00 56.01 55.34 1mr6 n LEU 54 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1mr6 n LEU 54 CO 0.00 0.03 -0.29 -0.83 -0.00 0.00 0.00 177.39 176.30 1mr6 s GLY 55 N -1.64 1.41 0.56 1.47 0.00 -1.26 -4.88 107.32 102.97 1mr6 s GLY 55 Ca 0.01 -2.15 0.25 0.00 0.00 0.00 0.00 44.72 42.83 1mr6 s GLY 55 CO 0.16 1.53 2.18 0.17 0.00 0.00 0.00 173.10 177.14 1mr6 h LEU 56 N 7.45 0.00 -7.82 0.66 8.10 -1.88 -3.37 115.31 118.46 1mr6 h LEU 56 Ca -0.07 0.00 -0.70 0.00 0.11 0.00 0.00 57.88 57.22 1mr6 h LEU 56 Cb 0.98 0.00 -0.34 0.00 -0.44 0.00 0.00 40.66 40.86 1mr6 h LEU 56 CO 0.48 0.00 -0.51 -0.89 -4.11 0.00 0.00 178.44 173.41 1mr6 s THR 57 N -4.79 3.46 0.78 0.15 2.01 -1.17 -4.79 115.64 111.29 1mr6 s THR 57 Ca -0.05 -2.12 -0.10 0.00 0.31 0.00 0.00 61.69 59.73 1mr6 s THR 57 Cb 0.16 -3.35 0.08 0.00 0.01 0.00 0.00 72.50 69.41 1mr6 s THR 57 CO 0.60 -0.72 1.13 -0.69 -0.69 0.00 0.00 174.62 174.25 1mr6 s VAL 58 N 1.04 2.09 -0.31 3.82 1.01 -1.26 -1.72 120.40 125.07 1mr6 s VAL 58 Ca 0.09 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1mr6 s VAL 58 Cb -0.23 -2.99 0.20 0.00 0.00 0.00 0.00 36.38 33.35 1mr6 s VAL 58 CO -0.04 0.00 0.60 0.12 0.00 0.00 0.00 175.10 175.78 1mr6 s PHE 59 N -3.49 -1.84 0.43 5.22 2.19 -0.18 -4.91 117.98 115.41 1mr6 s PHE 59 Ca 0.62 0.91 -0.01 0.00 0.33 0.00 0.00 56.93 58.79 1mr6 s PHE 59 Cb -0.10 0.32 -0.02 0.00 -1.31 0.00 0.00 43.02 41.91 1mr6 s PHE 59 CO 0.48 -1.10 0.66 0.00 1.83 0.00 0.00 175.22 177.08 1mr6 n THR 62 N 3.67 5.37 -3.87 0.00 -2.24 -1.26 -3.06 114.28 112.89 1mr6 n THR 62 Ca -0.20 -5.51 -0.00 0.00 -2.27 0.00 0.00 64.05 56.07 1mr6 n THR 62 Cb 0.56 -1.99 0.01 0.00 -2.10 0.00 0.00 70.33 66.81 1mr6 n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1mr6 s THR 63 N -2.47 0.00 0.51 4.28 -1.32 -1.26 -5.12 115.64 110.26 1mr6 s THR 63 Ca 0.37 -0.37 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 1mr6 s THR 63 Cb 0.11 -2.69 0.11 0.00 -1.51 0.00 0.00 72.50 68.52 1mr6 s THR 63 CO 0.01 0.00 0.25 -0.90 -2.21 0.00 0.00 174.62 171.77 1mr6 n ASP 64 N -0.98 -2.26 -3.53 8.08 5.68 -1.26 -4.30 116.55 117.98 1mr6 n ASP 64 Ca -0.02 -0.26 -0.29 0.00 -0.50 0.00 0.00 54.79 53.73 1mr6 n ASP 64 Cb 0.60 -0.37 -0.13 0.00 -1.14 0.00 0.00 41.12 40.08 1mr6 n ASP 64 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1mr6 n ASN 65 N -2.32 -0.09 -0.00 -1.12 3.02 0.97 -4.67 115.26 111.05 1mr6 n ASN 65 Ca 0.04 0.01 0.10 0.00 -0.03 0.00 0.00 54.58 54.70 1mr6 n ASN 65 Cb 0.18 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.57 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 -1.56 0.11 0.00 0.00 4.05 -1.26 -5.06 115.26 111.54 1mr6 n ASN 67 Ca 0.03 -1.84 0.00 0.00 0.45 0.00 0.00 54.58 53.22 1mr6 n ASN 67 Cb 0.34 -0.08 0.00 0.00 1.23 0.00 0.00 39.78 41.28 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21