#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 0.41 -0.29 0.03 -0.21 -1.26 -2.09 119.66 116.25 1mr6 s GLN 2 Ca 0.00 0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.83 1mr6 s GLN 2 Cb 0.00 -0.25 0.15 0.00 1.00 0.00 0.00 33.01 33.91 1mr6 s GLN 2 CO 0.00 -0.81 0.38 0.00 -2.12 0.00 0.00 175.29 172.74 1mr6 n LYS 4 N 5.34 -0.18 -2.68 0.00 5.02 -1.26 -4.55 118.16 119.85 1mr6 n LYS 4 Ca 0.00 -0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.21 1mr6 n LYS 4 Cb 0.49 -1.19 0.13 0.00 -0.02 0.00 0.00 35.03 34.43 1mr6 n LYS 4 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1mr6 n THR 5 N -3.07 0.01 -2.44 -0.18 -2.24 -1.26 -4.09 114.28 101.00 1mr6 n THR 5 Ca -0.00 -1.16 -0.05 0.00 -2.27 0.00 0.00 64.05 60.56 1mr6 n THR 5 Cb 0.61 1.00 0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1mr6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 n SER 7 N -2.96 3.72 -4.49 0.00 2.88 -1.26 -2.40 113.62 109.11 1mr6 n SER 7 Ca 0.04 -2.66 -0.26 0.00 -1.33 0.00 0.00 58.87 54.65 1mr6 n SER 7 Cb 0.13 -0.45 -0.11 0.00 -0.75 0.00 0.00 64.21 63.03 1mr6 n SER 7 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1mr6 s PHE 8 N -2.19 2.43 -1.11 0.66 0.40 -1.26 -4.75 117.98 112.16 1mr6 s PHE 8 Ca 0.37 -0.30 0.09 0.00 -0.60 0.00 0.00 56.93 56.49 1mr6 s PHE 8 Cb 0.27 -1.18 0.41 0.00 0.51 0.00 0.00 43.02 43.03 1mr6 s PHE 8 CO 0.12 0.53 1.26 0.98 0.70 0.00 0.00 175.22 178.81 1mr6 n TYR 9 N 0.07 0.00 -3.44 0.36 9.36 -1.26 -4.32 117.16 117.92 1mr6 n TYR 9 Ca -0.11 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 60.95 1mr6 n TYR 9 Cb 0.56 -0.44 -0.11 0.00 -0.63 0.00 0.00 39.34 38.72 1mr6 n TYR 9 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1mr6 s THR 10 N -2.89 -0.40 -0.35 2.97 -1.32 -1.26 -4.67 115.64 107.73 1mr6 s THR 10 Ca 0.06 -0.21 -0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1mr6 s THR 10 Cb 0.06 -0.79 0.12 0.00 -1.51 0.00 0.00 72.50 70.38 1mr6 s THR 10 CO 0.16 -0.26 0.18 0.00 -2.21 0.00 0.00 174.62 172.49 1mr6 n PRO 12 N 4.31 0.06 0.00 0.00 -0.04 -1.26 -4.27 135.00 133.80 1mr6 n PRO 12 Ca 0.05 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1mr6 n PRO 12 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1mr6 n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1mr6 n ASN 13 N -1.47 0.00 -4.71 3.54 3.02 -1.26 -4.73 115.26 109.65 1mr6 n ASN 13 Ca 0.07 0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.64 1mr6 n ASN 13 Cb 0.30 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.01 3.74 0.00 6.41 0.01 -1.26 -4.94 113.70 115.65 1mr6 s SER 14 Ca 0.00 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1mr6 s SER 14 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1mr6 s SER 14 CO 0.00 -2.56 0.00 -1.84 0.41 0.00 0.00 173.24 169.25 1mr6 n GLU 15 N -3.47 0.00 -1.57 12.44 0.28 -1.26 -4.61 120.64 122.46 1mr6 n GLU 15 Ca 0.12 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.67 1mr6 n GLU 15 Cb 0.51 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.34 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 0.00 0.31 -1.86 3.84 -1.04 -1.26 -1.20 114.28 113.07 1mr6 n THR 16 Ca 0.00 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.05 61.30 1mr6 n THR 16 Cb 0.00 -2.35 0.17 0.00 -1.82 0.00 0.00 70.33 66.33 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 -5.78 1.06 -0.91 0.00 0.04 -1.26 -3.55 135.00 124.59 1mr6 s PRO 18 Ca 0.71 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 1mr6 s PRO 18 Cb -0.06 -1.79 0.16 0.00 0.04 0.00 0.00 34.50 32.85 1mr6 s PRO 18 CO 0.52 -2.36 1.04 -0.51 0.04 0.00 0.00 177.00 175.74 1mr6 s ASP 19 N -3.43 6.69 0.16 6.66 1.01 -1.26 -4.06 116.67 122.44 1mr6 s ASP 19 Ca 0.64 -2.27 0.00 0.00 0.71 0.00 0.00 52.55 51.63 1mr6 s ASP 19 Cb -0.18 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1mr6 s ASP 19 CO 0.57 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.65 1mr6 n GLY 20 N 5.01 -1.83 0.00 0.21 0.00 -1.26 -5.09 105.19 102.23 1mr6 n GLY 20 Ca 0.22 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.79 2.21 -1.75 1.61 2.85 -1.26 -4.99 118.16 114.02 1mr6 n LYS 21 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 1mr6 n LYS 21 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1mr6 n LYS 21 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1mr6 n ASN 22 N 0.00 -0.65 -3.47 -5.58 3.02 -1.23 -4.83 115.26 102.51 1mr6 n ASN 22 Ca 0.00 -1.44 -0.08 0.00 -0.03 0.00 0.00 54.58 53.03 1mr6 n ASN 22 Cb 0.00 0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.05 0.00 -0.47 2.41 1.01 0.14 -4.77 121.20 119.57 1mr6 s ILE 23 Ca 0.03 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1mr6 s ILE 23 Cb 0.17 -2.37 0.12 0.00 0.01 0.00 0.00 42.46 40.39 1mr6 s ILE 23 CO -0.05 0.00 0.22 0.00 0.00 0.00 0.00 174.94 175.12 1mr6 s VAL 25 N 0.26 4.28 0.11 0.00 -7.23 -0.88 -2.39 120.40 114.55 1mr6 s VAL 25 Ca 0.14 -0.19 0.09 0.00 -1.81 0.00 0.00 61.98 60.21 1mr6 s VAL 25 Cb -0.23 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1mr6 s VAL 25 CO -0.03 0.38 -0.23 -1.59 -0.31 0.00 0.00 175.10 173.32 1mr6 s LYS 26 N 1.30 1.22 0.36 4.82 -2.85 -1.17 -1.57 119.74 121.85 1mr6 s LYS 26 Ca 0.05 -1.20 0.06 0.00 -1.00 0.00 0.00 55.97 53.88 1mr6 s LYS 26 Cb -0.15 -1.54 -0.01 0.00 -2.06 0.00 0.00 37.83 34.08 1mr6 s LYS 26 CO 0.03 0.36 0.50 1.03 0.10 0.00 0.00 175.35 177.38 1mr6 s ARG 27 N -1.90 3.08 -0.30 1.78 3.00 -0.77 -2.08 118.95 121.77 1mr6 s ARG 27 Ca 0.09 -0.98 -0.12 0.00 0.00 0.00 0.00 55.73 54.72 1mr6 s ARG 27 Cb -0.10 -2.79 0.12 0.00 0.00 0.00 0.00 34.95 32.19 1mr6 s ARG 27 CO 0.05 -0.01 0.69 -1.54 0.00 0.00 0.00 175.30 174.48 1mr6 s SER 28 N -4.20 -1.05 0.38 0.23 1.04 -0.71 -2.48 113.70 106.90 1mr6 s SER 28 Ca 0.46 1.50 0.04 0.00 0.48 0.00 0.00 55.95 58.43 1mr6 s SER 28 Cb -0.10 2.04 -0.04 0.00 0.10 0.00 0.00 66.02 68.03 1mr6 s SER 28 CO 0.32 -0.21 0.08 -1.66 0.98 0.00 0.00 173.24 172.75 1mr6 s TRP 29 N 2.57 1.89 -0.71 5.02 -2.14 -0.64 -2.97 118.94 121.96 1mr6 s TRP 29 Ca -0.07 -1.09 0.21 0.00 2.66 0.00 0.00 56.10 57.82 1mr6 s TRP 29 Cb -0.10 -1.27 -0.22 0.00 -3.10 0.00 0.00 33.47 28.77 1mr6 s TRP 29 CO -0.19 -0.09 0.81 -2.37 -2.66 0.00 0.00 176.95 172.45 1mr6 n THR 30 N -0.84 0.01 -1.62 0.66 5.66 -1.26 -1.03 114.28 115.86 1mr6 n THR 30 Ca -0.05 -0.15 -0.45 0.00 -3.05 0.00 0.00 64.05 60.35 1mr6 n THR 30 Cb 0.66 0.66 -0.04 0.00 -1.55 0.00 0.00 70.33 70.06 1mr6 n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mr6 n ALA 31 N -1.73 1.44 -2.60 1.79 0.00 -1.25 -4.14 120.51 114.02 1mr6 n ALA 31 Ca 0.02 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1mr6 n ALA 31 Cb 0.40 -2.71 -0.10 0.00 0.00 0.00 0.00 19.45 17.04 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 6.05 5.24 0.00 0.00 0.11 -1.22 -4.26 120.40 126.32 1mr6 s VAL 32 Ca 0.96 0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 60.37 1mr6 s VAL 32 Cb -0.50 -3.62 -0.02 0.00 -1.53 0.00 0.00 36.38 30.71 1mr6 s VAL 32 CO 0.43 0.21 0.72 0.03 -3.33 0.00 0.00 175.10 173.15 1mr6 h ARG 33 N 8.22 -0.10 0.00 1.54 2.47 -1.83 -3.48 114.38 121.19 1mr6 h ARG 33 Ca -0.33 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1mr6 h ARG 33 Cb 1.17 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1mr6 h ARG 33 CO 0.60 -0.07 0.00 0.41 0.56 0.00 0.00 179.97 181.47 1mr6 n GLY 34 N -0.09 -0.11 0.09 0.04 0.00 -1.26 -4.99 105.19 98.87 1mr6 n GLY 34 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1mr6 n GLY 34 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1mr6 h ASP 35 N 0.00 0.00 -3.35 1.61 3.58 -2.03 -3.47 116.42 112.76 1mr6 h ASP 35 Ca 0.00 -0.57 -0.45 0.00 0.42 0.00 0.00 57.03 56.43 1mr6 h ASP 35 Cb 0.00 0.00 0.22 0.00 1.72 0.00 0.00 39.33 41.27 1mr6 h ASP 35 CO 0.00 1.29 0.01 0.61 -2.88 0.00 0.00 179.24 178.28 1mr6 n GLY 36 N 1.50 -1.80 0.00 -0.78 0.00 -1.26 -5.02 105.19 97.82 1mr6 n GLY 36 Ca -0.24 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1mr6 n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mr6 n PRO 37 N -4.88 1.04 0.00 1.61 -0.04 -1.26 -4.69 135.00 126.78 1mr6 n PRO 37 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1mr6 n PRO 37 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.00 0.00 -2.61 0.54 4.76 -1.26 -4.43 118.16 115.15 1mr6 n LYS 38 Ca 0.00 0.45 -0.43 0.00 -2.87 0.00 0.00 58.31 55.46 1mr6 n LYS 38 Cb 0.00 -1.44 -0.02 0.00 -1.84 0.00 0.00 35.03 31.73 1mr6 n LYS 38 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1mr6 s ARG 39 N -2.74 3.78 0.01 1.97 3.52 -1.26 -3.46 118.95 120.77 1mr6 s ARG 39 Ca 0.00 0.65 -0.14 0.00 -0.13 0.00 0.00 55.73 56.10 1mr6 s ARG 39 Cb 0.00 -3.88 -0.06 0.00 -1.56 0.00 0.00 34.95 29.46 1mr6 s ARG 39 CO 0.00 -1.30 0.41 -1.21 -0.81 0.00 0.00 175.30 172.39 1mr6 s GLU 40 N 4.30 3.90 0.07 5.12 0.41 -0.20 -4.85 118.70 127.45 1mr6 s GLU 40 Ca 0.47 0.39 0.03 0.00 -0.41 0.00 0.00 54.97 55.45 1mr6 s GLU 40 Cb -0.08 -3.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.04 1mr6 s GLU 40 CO 0.29 0.68 -0.09 0.96 -0.49 0.00 0.00 175.26 176.60 1mr6 s ILE 41 N -1.11 0.76 0.39 -1.63 -5.25 -1.26 -1.62 121.20 111.48 1mr6 s ILE 41 Ca 0.24 -1.35 0.02 0.00 -0.99 0.00 0.00 60.65 58.58 1mr6 s ILE 41 Cb -0.16 -0.99 -0.01 0.00 2.95 0.00 0.00 42.46 44.25 1mr6 s ILE 41 CO 0.14 -0.44 0.07 -2.11 -1.79 0.00 0.00 174.94 170.80 1mr6 n ARG 42 N 1.05 0.77 -3.45 0.37 1.85 -1.04 -4.06 116.66 112.16 1mr6 n ARG 42 Ca -0.20 -3.05 -0.13 0.00 -1.00 0.00 0.00 57.85 53.47 1mr6 n ARG 42 Cb 0.56 1.27 -0.03 0.00 -1.05 0.00 0.00 32.46 33.21 1mr6 n ARG 42 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1mr6 s ARG 43 N -3.43 1.20 -0.00 2.89 3.03 -1.01 -1.84 118.95 119.79 1mr6 s ARG 43 Ca 0.10 -0.29 -0.29 0.00 2.03 0.00 0.00 55.73 57.29 1mr6 s ARG 43 Cb 0.00 0.56 0.08 0.00 -1.03 0.00 0.00 34.95 34.56 1mr6 s ARG 43 CO 0.07 -0.49 0.70 -1.21 -1.13 0.00 0.00 175.30 173.24 1mr6 s GLU 44 N -3.10 1.06 0.07 3.89 0.41 -0.61 -4.21 118.70 116.21 1mr6 s GLU 44 Ca -0.02 0.01 -0.20 0.00 -0.41 0.00 0.00 54.97 54.35 1mr6 s GLU 44 Cb -0.01 0.49 -0.07 0.00 -1.78 0.00 0.00 34.13 32.77 1mr6 s GLU 44 CO -0.07 -0.38 0.60 0.00 -0.49 0.00 0.00 175.26 174.92 1mr6 s ALA 46 N -0.97 -1.30 -0.52 0.00 0.00 -0.83 -4.91 121.76 113.23 1mr6 s ALA 46 Ca 0.30 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1mr6 s ALA 46 Cb -0.20 0.78 0.54 0.00 0.00 0.00 0.00 23.12 24.24 1mr6 s ALA 46 CO 0.20 -0.70 1.94 0.00 0.00 0.00 0.00 175.76 177.20 1mr6 n ALA 47 N -0.27 5.77 -2.62 0.00 0.00 -1.26 0.28 120.51 122.40 1mr6 n ALA 47 Ca -0.17 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1mr6 n ALA 47 Cb 0.64 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.93 0.00 0.00 0.00 -1.04 -1.26 -4.85 114.28 106.20 1mr6 n THR 48 Ca 0.58 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1mr6 n THR 48 Cb 1.18 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.00 4.07 -0.13 0.00 0.04 -1.26 -4.98 135.00 132.74 1mr6 s PRO 50 Ca 0.00 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 1mr6 s PRO 50 Cb 0.00 -2.15 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 1mr6 s PRO 50 CO 0.00 -0.18 0.48 -1.00 0.04 0.00 0.00 177.00 176.34 1mr6 h PRO 51 N 1.72 0.00 -2.66 0.56 0.13 -1.98 -3.40 132.00 126.37 1mr6 h PRO 51 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1mr6 h PRO 51 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1mr6 h PRO 51 CO 0.60 0.65 0.07 -1.12 -0.23 0.00 0.00 178.00 177.98 1mr6 s SER 52 N -6.01 -0.49 0.00 1.44 0.01 -1.26 -3.29 113.70 104.11 1mr6 s SER 52 Ca -0.13 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1mr6 s SER 52 Cb -0.02 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1mr6 s SER 52 CO 0.45 -0.72 0.00 1.17 0.41 0.00 0.00 173.24 174.55 1mr6 n LYS 53 N 0.44 1.49 0.00 12.44 0.00 -0.94 -4.97 118.16 126.62 1mr6 n LYS 53 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.13 1mr6 n LYS 53 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1mr6 n LEU 54 N 0.00 0.00 -2.17 3.14 -0.00 -1.26 -3.60 117.00 113.11 1mr6 n LEU 54 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 1mr6 n LEU 54 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1mr6 n LEU 54 CO 0.00 0.00 0.24 0.61 -0.00 0.00 0.00 177.39 178.24 1mr6 n GLY 55 N -0.47 1.45 3.16 1.47 0.00 -1.26 -5.10 105.19 104.43 1mr6 n GLY 55 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.37 2.27 -0.15 0.99 1.02 -1.24 -4.87 118.68 114.34 1mr6 s LEU 56 Ca 0.19 -0.61 -0.13 0.00 0.02 0.00 0.00 54.13 53.61 1mr6 s LEU 56 Cb 0.31 -0.46 -0.05 0.00 0.02 0.00 0.00 46.19 46.01 1mr6 s LEU 56 CO -0.09 -0.10 0.28 -0.89 0.02 0.00 0.00 176.35 175.57 1mr6 s THR 57 N -1.29 5.31 0.25 5.49 2.01 -1.16 -2.21 115.64 124.04 1mr6 s THR 57 Ca -0.03 0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.52 1mr6 s THR 57 Cb -0.10 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1mr6 s THR 57 CO 0.02 0.43 0.39 -0.69 -0.69 0.00 0.00 174.62 174.07 1mr6 s VAL 58 N 0.21 5.24 -0.31 3.82 1.01 -1.21 -1.74 120.40 127.42 1mr6 s VAL 58 Ca 0.16 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1mr6 s VAL 58 Cb -0.13 -3.84 0.17 0.00 0.00 0.00 0.00 36.38 32.58 1mr6 s VAL 58 CO 0.04 -0.33 0.48 0.12 0.00 0.00 0.00 175.10 175.41 1mr6 s PHE 59 N -2.01 -1.25 0.45 5.22 2.19 -0.88 -4.85 117.98 116.86 1mr6 s PHE 59 Ca 0.35 0.38 0.02 0.00 0.33 0.00 0.00 56.93 58.01 1mr6 s PHE 59 Cb -0.09 -0.00 0.00 0.00 -1.31 0.00 0.00 43.02 41.62 1mr6 s PHE 59 CO 0.30 -1.04 0.66 0.00 1.83 0.00 0.00 175.22 176.98 1mr6 n THR 62 N -0.05 1.08 0.06 0.00 -2.24 -1.26 -1.74 114.28 110.13 1mr6 n THR 62 Ca -0.09 -4.89 0.00 0.00 -2.27 0.00 0.00 64.05 56.80 1mr6 n THR 62 Cb 0.61 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1mr6 n THR 62 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1mr6 n THR 63 N 0.38 0.79 0.00 4.28 -1.04 -1.26 -5.08 114.28 112.35 1mr6 n THR 63 Ca 0.27 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1mr6 n THR 63 Cb 0.52 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1mr6 n THR 63 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1mr6 n ASP 64 N -3.39 0.00 -2.43 8.00 5.68 -1.24 -4.81 116.55 118.35 1mr6 n ASP 64 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 1mr6 n ASP 64 Cb 0.07 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.00 -0.91 0.00 -1.12 5.03 0.45 -4.78 115.26 113.93 1mr6 n ASN 65 Ca 0.00 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1mr6 n ASN 65 Cb 0.00 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mr6 s ASN 67 N -3.00 4.83 0.00 0.00 3.04 -1.26 -5.06 114.94 113.50 1mr6 s ASN 67 Ca 0.00 0.30 0.15 0.00 0.04 0.00 0.00 52.86 53.36 1mr6 s ASN 67 Cb 0.00 -2.53 0.12 0.00 -1.54 0.00 0.00 41.25 37.30 1mr6 s ASN 67 CO 0.00 -2.79 0.98 0.00 -3.04 0.00 0.00 177.10 172.25