#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 0.57 -0.18 3.17 -0.21 -1.25 -2.34 119.66 119.42 1mr6 s GLN 2 Ca 0.00 1.08 -0.08 0.00 0.02 0.00 0.00 55.36 56.39 1mr6 s GLN 2 Cb 0.00 0.15 0.07 0.00 1.00 0.00 0.00 33.01 34.24 1mr6 s GLN 2 CO 0.00 -0.16 0.40 0.00 -2.12 0.00 0.00 175.29 173.40 1mr6 s LYS 4 N 2.07 3.88 -0.36 0.00 2.36 -1.24 -4.58 119.74 121.87 1mr6 s LYS 4 Ca -0.05 2.48 0.14 0.00 -2.55 0.00 0.00 55.97 55.99 1mr6 s LYS 4 Cb -0.11 -2.80 0.42 0.00 -1.05 0.00 0.00 37.83 34.30 1mr6 s LYS 4 CO -0.12 -0.68 1.12 0.25 1.55 0.00 0.00 175.35 177.46 1mr6 n THR 5 N 0.10 0.49 -0.38 3.43 -2.24 -1.26 -4.59 114.28 109.83 1mr6 n THR 5 Ca 0.03 -2.41 0.00 0.00 -2.27 0.00 0.00 64.05 59.40 1mr6 n THR 5 Cb 0.41 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.19 2.73 -2.78 0.00 3.41 -1.26 -4.13 113.62 109.40 1mr6 n SER 7 Ca 0.00 -2.24 -0.07 0.00 -0.26 0.00 0.00 58.87 56.30 1mr6 n SER 7 Cb 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1mr6 n SER 7 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mr6 n PHE 8 N -0.12 -1.55 0.49 7.33 3.72 -1.26 -4.98 117.46 121.09 1mr6 n PHE 8 Ca 0.10 -0.63 0.11 0.00 -0.05 0.00 0.00 57.45 56.98 1mr6 n PHE 8 Cb 0.46 -0.13 0.26 0.00 -0.94 0.00 0.00 39.48 39.13 1mr6 n PHE 8 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1mr6 n TYR 9 N -0.95 0.49 -3.15 1.38 0.18 -1.26 -4.80 117.16 109.04 1mr6 n TYR 9 Ca 0.00 -0.24 0.06 0.00 1.88 0.00 0.00 57.90 59.60 1mr6 n TYR 9 Cb 0.17 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.12 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 -1.51 -0.22 -0.21 -3.48 -1.32 -1.26 -5.02 115.64 102.61 1mr6 s THR 10 Ca 0.37 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.85 1mr6 s THR 10 Cb 0.21 -0.51 0.02 0.00 -1.51 0.00 0.00 72.50 70.72 1mr6 s THR 10 CO 0.30 0.00 -0.13 0.00 -2.21 0.00 0.00 174.62 172.58 1mr6 h PRO 12 N 7.96 0.00 0.00 0.00 0.13 -1.93 -3.41 132.00 134.75 1mr6 h PRO 12 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.59 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.45 1mr6 n ASN 13 N -2.67 -1.46 -4.13 1.44 3.02 -1.26 -5.05 115.26 105.15 1mr6 n ASN 13 Ca 0.03 -0.08 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 1mr6 n ASN 13 Cb 0.38 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.90 1.20 -0.35 6.41 0.01 -1.26 -4.98 113.70 112.83 1mr6 s SER 14 Ca 0.00 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.57 1mr6 s SER 14 Cb 0.00 0.03 0.16 0.00 0.21 0.00 0.00 66.02 66.42 1mr6 s SER 14 CO 0.00 -0.25 0.43 -0.70 0.41 0.00 0.00 173.24 173.13 1mr6 s GLU 15 N -2.39 0.58 1.05 12.44 2.12 -1.26 -4.99 118.70 126.26 1mr6 s GLU 15 Ca -0.00 -0.38 -0.12 0.00 0.36 0.00 0.00 54.97 54.84 1mr6 s GLU 15 Cb -0.05 -0.42 0.22 0.00 0.26 0.00 0.00 34.13 34.14 1mr6 s GLU 15 CO -0.00 -1.13 1.04 2.41 -0.54 0.00 0.00 175.26 177.03 1mr6 n THR 16 N 4.70 0.00 -3.96 -1.70 -1.04 -1.26 -2.40 114.28 108.62 1mr6 n THR 16 Ca 0.07 -0.23 -0.21 0.00 -2.04 0.00 0.00 64.05 61.63 1mr6 n THR 16 Cb 0.49 -0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 67.98 1mr6 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mr6 n PRO 18 N -1.28 -2.60 -1.22 0.00 -0.04 -1.26 -4.56 135.00 124.05 1mr6 n PRO 18 Ca -0.05 -1.80 -0.19 0.00 -0.04 0.00 0.00 63.50 61.42 1mr6 n PRO 18 Cb 0.59 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -4.56 5.86 0.00 3.54 9.92 -1.26 -3.67 116.55 126.38 1mr6 n ASP 19 Ca 0.15 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.58 1mr6 n ASP 19 Cb 0.57 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1mr6 n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mr6 n GLY 20 N 1.66 0.06 0.00 0.44 0.00 -1.26 -5.13 105.19 100.96 1mr6 n GLY 20 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1mr6 n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mr6 n LYS 21 N -0.74 0.08 0.00 1.61 4.76 -1.24 -4.96 118.16 117.67 1mr6 n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1mr6 n LYS 21 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1mr6 n LYS 21 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1mr6 n ASN 22 N -2.53 0.00 -3.69 4.39 3.02 -1.26 -4.85 115.26 110.33 1mr6 n ASN 22 Ca 0.00 -0.81 -0.10 0.00 -0.03 0.00 0.00 54.58 53.64 1mr6 n ASN 22 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1mr6 n ASN 22 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1mr6 s ILE 23 N 0.00 0.00 -0.42 2.41 2.07 0.33 -4.85 121.20 120.74 1mr6 s ILE 23 Ca 0.00 -1.33 -0.06 0.00 -1.41 0.00 0.00 60.65 57.84 1mr6 s ILE 23 Cb 0.00 -2.35 0.10 0.00 0.13 0.00 0.00 42.46 40.34 1mr6 s ILE 23 CO 0.00 0.00 0.25 0.00 -1.91 0.00 0.00 174.94 173.28 1mr6 s VAL 25 N 1.29 1.98 0.09 0.00 -7.23 -0.93 -1.69 120.40 113.91 1mr6 s VAL 25 Ca 0.05 -1.21 0.08 0.00 -1.81 0.00 0.00 61.98 59.08 1mr6 s VAL 25 Cb -0.24 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1mr6 s VAL 25 CO -0.01 0.22 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.27 1mr6 s LYS 26 N 1.25 2.00 0.27 4.82 -2.85 -1.12 -1.99 119.74 122.13 1mr6 s LYS 26 Ca -0.02 -1.06 0.02 0.00 -1.00 0.00 0.00 55.97 53.91 1mr6 s LYS 26 Cb -0.16 -2.22 -0.04 0.00 -2.06 0.00 0.00 37.83 33.34 1mr6 s LYS 26 CO -0.09 0.51 0.13 1.03 0.10 0.00 0.00 175.35 177.03 1mr6 s ARG 27 N -2.01 1.47 -0.30 1.78 0.52 -0.52 -1.13 118.95 118.76 1mr6 s ARG 27 Ca 0.19 -1.81 -0.05 0.00 -0.52 0.00 0.00 55.73 53.54 1mr6 s ARG 27 Cb -0.11 -0.11 0.17 0.00 0.52 0.00 0.00 34.95 35.42 1mr6 s ARG 27 CO 0.10 -0.38 0.64 -1.54 0.02 0.00 0.00 175.30 174.14 1mr6 s SER 28 N -3.32 -1.26 0.00 0.23 1.04 -1.10 -2.18 113.70 107.11 1mr6 s SER 28 Ca 0.37 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1mr6 s SER 28 Cb 0.06 2.18 0.00 0.00 0.10 0.00 0.00 66.02 68.36 1mr6 s SER 28 CO 0.15 -0.24 0.00 -2.67 0.98 0.00 0.00 173.24 171.47 1mr6 n TRP 29 N 5.43 -1.06 -2.31 5.02 2.14 -1.08 -1.47 117.44 124.10 1mr6 n TRP 29 Ca -0.05 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.55 1mr6 n TRP 29 Cb 0.50 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.02 1mr6 n TRP 29 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1mr6 n THR 30 N -0.35 0.03 -1.62 -1.67 5.66 -0.96 -2.67 114.28 112.69 1mr6 n THR 30 Ca 0.00 -0.67 -0.44 0.00 -3.05 0.00 0.00 64.05 59.89 1mr6 n THR 30 Cb 0.00 0.80 -0.04 0.00 -1.55 0.00 0.00 70.33 69.55 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 0.30 1.53 -3.00 1.79 0.00 -1.12 -4.65 120.51 115.37 1mr6 n ALA 31 Ca 0.04 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 1mr6 n ALA 31 Cb 0.98 -2.75 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 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 6.19 0.68 -0.12 0.00 0.11 -1.26 -4.56 120.40 121.43 1mr6 s VAL 32 Ca 0.96 -0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 59.63 1mr6 s VAL 32 Cb -0.46 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 1mr6 s VAL 32 CO 0.41 0.21 0.07 0.03 -3.33 0.00 0.00 175.10 172.49 1mr6 h ARG 33 N 6.34 0.00 0.00 1.54 2.47 -1.93 -3.49 114.38 119.31 1mr6 h ARG 33 Ca -0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1mr6 h ARG 33 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1mr6 h ARG 33 CO 0.49 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.60 1mr6 n GLY 34 N 1.71 1.12 0.10 0.04 0.00 -1.26 -5.00 105.19 101.90 1mr6 n GLY 34 Ca -0.04 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.62 0.00 1.61 2.03 -1.26 -4.98 116.55 115.57 1mr6 n ASP 35 Ca 0.00 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 52.97 1mr6 n ASP 35 Cb 0.00 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1mr6 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mr6 n GLY 36 N -0.76 -0.89 2.00 0.27 0.00 -1.26 -4.99 105.19 99.56 1mr6 n GLY 36 Ca 0.07 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -1.25 0.00 1.61 -0.04 -1.26 -5.06 135.00 129.00 1mr6 n PRO 37 Ca 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1mr6 n PRO 37 Cb 0.00 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1mr6 n PRO 37 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1mr6 n LYS 38 N -2.81 0.00 -3.21 0.54 4.81 -1.26 -4.70 118.16 111.53 1mr6 n LYS 38 Ca 0.09 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.08 1mr6 n LYS 38 Cb 0.31 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.31 1mr6 n LYS 38 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1mr6 s ARG 39 N -0.39 3.02 -0.34 1.64 3.52 -1.26 -2.79 118.95 122.36 1mr6 s ARG 39 Ca 0.00 -1.44 -0.16 0.00 -0.13 0.00 0.00 55.73 54.00 1mr6 s ARG 39 Cb 0.00 -4.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.12 1mr6 s ARG 39 CO 0.00 -1.41 0.40 -1.21 -0.81 0.00 0.00 175.30 172.28 1mr6 s GLU 40 N 2.21 3.61 0.10 5.12 2.02 -1.09 -4.86 118.70 125.82 1mr6 s GLU 40 Ca 0.08 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 54.81 1mr6 s GLU 40 Cb -0.26 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 1mr6 s GLU 40 CO 0.05 -0.54 0.01 0.96 0.02 0.00 0.00 175.26 175.77 1mr6 s ILE 41 N 2.12 4.04 -0.14 -1.63 -5.25 -1.26 -2.64 121.20 116.45 1mr6 s ILE 41 Ca 0.14 -1.03 -0.17 0.00 -0.99 0.00 0.00 60.65 58.60 1mr6 s ILE 41 Cb -0.16 -2.95 0.04 0.00 2.95 0.00 0.00 42.46 42.34 1mr6 s ILE 41 CO 0.12 0.08 0.46 -0.60 -1.79 0.00 0.00 174.94 173.21 1mr6 s ARG 42 N -2.43 0.60 0.14 0.37 3.00 -0.93 -4.94 118.95 114.76 1mr6 s ARG 42 Ca 0.26 0.49 0.08 0.00 -1.00 0.00 0.00 55.73 55.56 1mr6 s ARG 42 Cb -0.11 0.29 -0.04 0.00 0.00 0.00 0.00 34.95 35.08 1mr6 s ARG 42 CO 0.19 -0.10 -0.18 -0.98 0.00 0.00 0.00 175.30 174.23 1mr6 s ARG 43 N -0.09 1.18 0.06 5.12 3.03 -1.26 -1.44 118.95 125.55 1mr6 s ARG 43 Ca -0.03 -1.31 -0.27 0.00 2.03 0.00 0.00 55.73 56.16 1mr6 s ARG 43 Cb -0.03 -1.26 0.09 0.00 -1.03 0.00 0.00 34.95 32.71 1mr6 s ARG 43 CO 0.02 0.26 0.82 -1.21 -1.13 0.00 0.00 175.30 174.07 1mr6 s GLU 44 N -2.52 0.99 -0.28 3.89 2.02 -0.84 -4.64 118.70 117.31 1mr6 s GLU 44 Ca 0.12 -0.40 -0.27 0.00 0.02 0.00 0.00 54.97 54.44 1mr6 s GLU 44 Cb -0.07 0.44 0.01 0.00 0.10 0.00 0.00 34.13 34.61 1mr6 s GLU 44 CO 0.05 -0.44 0.95 0.00 0.02 0.00 0.00 175.26 175.84 1mr6 s ALA 46 N 3.23 1.64 -1.31 0.00 0.00 -0.75 -4.77 121.76 119.81 1mr6 s ALA 46 Ca 0.40 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 51.05 1mr6 s ALA 46 Cb -0.14 -0.08 0.35 0.00 0.00 0.00 0.00 23.12 23.25 1mr6 s ALA 46 CO 0.11 0.10 1.17 0.00 0.00 0.00 0.00 175.76 177.14 1mr6 n ALA 47 N 0.30 2.81 -2.51 0.00 0.00 -1.26 -0.51 120.51 119.34 1mr6 n ALA 47 Ca -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1mr6 n ALA 47 Cb 0.58 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.40 0.00 0.00 0.00 -1.04 -1.26 -4.89 114.28 107.49 1mr6 n THR 48 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1mr6 n THR 48 Cb 0.50 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 4.48 -1.21 0.00 0.04 -1.26 -4.90 135.00 132.15 1mr6 s PRO 50 Ca 0.00 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 1mr6 s PRO 50 Cb 0.00 -3.46 0.05 0.00 0.04 0.00 0.00 34.50 31.12 1mr6 s PRO 50 CO 0.00 -0.01 1.70 -1.25 0.04 0.00 0.00 177.00 177.48 1mr6 s PRO 51 N 0.99 3.70 0.50 0.56 0.04 -1.26 -4.49 135.00 135.04 1mr6 s PRO 51 Ca 0.44 -1.66 -0.08 0.00 0.04 0.00 0.00 61.00 59.74 1mr6 s PRO 51 Cb -0.19 -5.45 0.11 0.00 0.04 0.00 0.00 34.50 29.01 1mr6 s PRO 51 CO 0.22 -2.45 0.67 0.43 0.04 0.00 0.00 177.00 175.91 1mr6 n SER 52 N 9.28 0.11 0.00 6.66 7.64 -1.26 -4.97 113.62 131.08 1mr6 n SER 52 Ca 0.45 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1mr6 n SER 52 Cb 0.47 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1mr6 n SER 52 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1mr6 n LYS 53 N -2.42 0.12 -0.02 1.43 5.02 -1.16 -4.60 118.16 116.52 1mr6 n LYS 53 Ca 0.09 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.36 1mr6 n LYS 53 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.28 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1mr6 n LEU 54 N 0.00 0.42 0.32 -0.35 7.99 -1.26 -2.77 117.00 121.35 1mr6 n LEU 54 Ca 0.00 -0.00 0.19 0.00 -0.01 0.00 0.00 56.01 56.19 1mr6 n LEU 54 Cb 0.00 0.05 1.03 0.00 -0.11 0.00 0.00 43.42 44.39 1mr6 n LEU 54 CO 0.00 0.16 1.16 1.23 -1.51 0.00 0.00 177.39 178.43 1mr6 h GLY 55 N 0.68 0.00 -5.60 -0.72 0.00 -1.94 -3.31 103.07 92.18 1mr6 h GLY 55 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.25 1mr6 h GLY 55 CO 0.00 0.00 -0.30 -2.27 0.00 0.00 0.00 176.54 173.97 1mr6 s LEU 56 N -6.33 -0.98 0.59 3.11 2.96 -1.21 -2.27 118.68 114.55 1mr6 s LEU 56 Ca -0.04 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1mr6 s LEU 56 Cb 0.12 1.26 0.02 0.00 0.50 0.00 0.00 46.19 48.09 1mr6 s LEU 56 CO 0.40 -0.10 0.87 0.28 -1.32 0.00 0.00 176.35 176.47 1mr6 s THR 57 N 1.84 3.23 0.07 3.68 -1.32 -0.54 -3.01 115.64 119.59 1mr6 s THR 57 Ca 0.16 -0.24 -0.06 0.00 -1.21 0.00 0.00 61.69 60.34 1mr6 s THR 57 Cb -0.00 -3.28 -0.01 0.00 -1.51 0.00 0.00 72.50 67.69 1mr6 s THR 57 CO -0.10 -0.26 0.11 -0.69 -2.21 0.00 0.00 174.62 171.47 1mr6 s VAL 58 N -2.95 0.17 -0.29 5.08 1.01 -1.24 -2.69 120.40 119.49 1mr6 s VAL 58 Ca 0.55 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1mr6 s VAL 58 Cb -0.10 -1.39 0.17 0.00 0.00 0.00 0.00 36.38 35.06 1mr6 s VAL 58 CO 0.43 -0.77 0.46 0.12 0.00 0.00 0.00 175.10 175.35 1mr6 s PHE 59 N -3.85 -1.26 0.26 5.22 2.19 -0.28 -4.43 117.98 115.83 1mr6 s PHE 59 Ca 0.05 0.61 -0.13 0.00 0.33 0.00 0.00 56.93 57.79 1mr6 s PHE 59 Cb 0.06 0.01 -0.08 0.00 -1.31 0.00 0.00 43.02 41.70 1mr6 s PHE 59 CO -0.11 -1.00 0.64 0.00 1.83 0.00 0.00 175.22 176.59 1mr6 n THR 62 N 3.63 3.81 -2.51 0.00 -2.24 -1.26 -2.21 114.28 113.50 1mr6 n THR 62 Ca -0.19 -5.58 0.00 0.00 -2.27 0.00 0.00 64.05 56.00 1mr6 n THR 62 Cb 0.56 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 1mr6 n THR 62 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1mr6 n THR 63 N 0.80 0.00 -3.22 4.28 5.66 -1.26 -5.11 114.28 115.43 1mr6 n THR 63 Ca 0.30 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.91 1mr6 n THR 63 Cb 0.37 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.08 1mr6 n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1mr6 s ASP 64 N 0.96 6.61 -0.40 1.09 1.47 -1.26 -3.86 116.67 121.27 1mr6 s ASP 64 Ca 0.00 0.73 -0.36 0.00 1.18 0.00 0.00 52.55 54.10 1mr6 s ASP 64 Cb 0.00 -2.31 0.05 0.00 -0.34 0.00 0.00 42.92 40.33 1mr6 s ASP 64 CO 0.00 -0.18 0.60 0.59 0.68 0.00 0.00 175.17 176.86 1mr6 n ASN 65 N 4.72 -5.38 -0.03 2.11 3.02 -0.60 -4.92 115.26 114.20 1mr6 n ASN 65 Ca -0.04 -0.12 -0.02 0.00 -0.03 0.00 0.00 54.58 54.36 1mr6 n ASN 65 Cb 0.50 -1.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.13 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 -3.10 -0.14 0.00 0.00 4.13 -1.26 -4.88 115.26 110.01 1mr6 n ASN 67 Ca -0.04 -0.39 0.05 0.00 1.68 0.00 0.00 54.58 55.88 1mr6 n ASN 67 Cb 0.13 -0.89 0.30 0.00 -1.54 0.00 0.00 39.78 37.78 1mr6 n ASN 67 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95