#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 0.50 -0.04 3.17 1.11 -1.26 -3.13 119.66 120.01 1mr6 s GLN 2 Ca 0.00 0.95 -0.02 0.00 0.01 0.00 0.00 55.36 56.29 1mr6 s GLN 2 Cb 0.00 0.03 0.02 0.00 -1.01 0.00 0.00 33.01 32.05 1mr6 s GLN 2 CO 0.00 -0.16 0.09 0.00 0.01 0.00 0.00 175.29 175.23 1mr6 s LYS 4 N 0.47 4.20 -0.16 0.00 -0.14 -1.25 -4.45 119.74 118.40 1mr6 s LYS 4 Ca -0.04 1.31 -0.04 0.00 -1.36 0.00 0.00 55.97 55.85 1mr6 s LYS 4 Cb -0.05 -3.68 -0.08 0.00 -1.68 0.00 0.00 37.83 32.33 1mr6 s LYS 4 CO -0.02 -0.72 2.96 0.25 -0.76 0.00 0.00 175.35 177.06 1mr6 n THR 5 N 5.49 2.92 -3.64 2.17 -2.24 -1.26 -4.58 114.28 113.14 1mr6 n THR 5 Ca 0.12 -1.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.02 1mr6 n THR 5 Cb 0.46 -1.74 -0.07 0.00 -2.10 0.00 0.00 70.33 66.88 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 3.96 5.95 0.00 0.00 2.88 -1.26 -3.16 113.62 121.98 1mr6 n SER 7 Ca -0.19 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1mr6 n SER 7 Cb 0.58 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 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 1.23 0.00 0.29 0.66 -0.00 -1.24 -4.79 117.46 113.62 1mr6 n PHE 8 Ca 0.31 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.80 1mr6 n PHE 8 Cb 0.63 -0.29 0.18 0.00 -0.00 0.00 0.00 39.48 40.00 1mr6 n PHE 8 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1mr6 n TYR 9 N -2.00 0.00 0.00 -5.13 9.36 -1.26 -4.09 117.16 114.04 1mr6 n TYR 9 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1mr6 n TYR 9 Cb 0.00 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.24 1mr6 n TYR 9 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1mr6 n THR 10 N -1.47 0.00 -3.51 2.97 5.66 -1.26 -5.10 114.28 111.57 1mr6 n THR 10 Ca 0.02 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.73 1mr6 n THR 10 Cb 0.09 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.75 1mr6 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mr6 n PRO 12 N 3.97 0.10 0.00 0.00 -0.04 -1.26 -4.41 135.00 133.37 1mr6 n PRO 12 Ca 0.11 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1mr6 n PRO 12 Cb 0.37 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.78 0.00 -4.03 3.54 5.15 -1.26 -5.08 115.26 111.80 1mr6 n ASN 13 Ca 0.06 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.88 1mr6 n ASN 13 Cb 0.37 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.53 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1mr6 s SER 14 N 0.20 1.05 -0.30 1.20 1.04 -1.26 -4.85 113.70 110.78 1mr6 s SER 14 Ca 0.00 -1.50 -0.04 0.00 0.48 0.00 0.00 55.95 54.89 1mr6 s SER 14 Cb 0.00 0.37 0.17 0.00 0.10 0.00 0.00 66.02 66.66 1mr6 s SER 14 CO 0.00 -0.87 0.62 -0.70 0.98 0.00 0.00 173.24 173.28 1mr6 s GLU 15 N -3.92 0.57 1.08 4.02 2.12 -1.26 -5.02 118.70 116.29 1mr6 s GLU 15 Ca 0.38 1.16 -0.12 0.00 0.36 0.00 0.00 54.97 56.75 1mr6 s GLU 15 Cb 0.06 0.67 0.24 0.00 0.26 0.00 0.00 34.13 35.35 1mr6 s GLU 15 CO 0.16 -0.46 1.07 2.41 -0.54 0.00 0.00 175.26 177.90 1mr6 n THR 16 N 5.43 0.00 -3.10 -1.70 -1.04 -1.26 -2.28 114.28 110.33 1mr6 n THR 16 Ca -0.05 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.45 1mr6 n THR 16 Cb 0.50 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 -4.48 3.05 0.00 0.00 0.04 -1.26 -4.81 135.00 127.53 1mr6 s PRO 18 Ca 0.45 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1mr6 s PRO 18 Cb -0.10 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1mr6 s PRO 18 CO 0.38 -0.90 0.00 -3.47 0.04 0.00 0.00 177.00 173.05 1mr6 n ASP 19 N -2.92 0.00 -3.27 6.66 -0.08 -1.26 -2.15 116.55 113.53 1mr6 n ASP 19 Ca 0.07 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.97 1mr6 n ASP 19 Cb 0.56 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.00 1mr6 n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mr6 n GLY 20 N 0.00 4.58 0.00 0.27 0.00 -1.26 -4.92 105.19 103.86 1mr6 n GLY 20 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 2.65 0.83 0.00 1.61 4.76 -0.91 -5.05 118.16 122.05 1mr6 n LYS 21 Ca 0.69 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.13 1mr6 n LYS 21 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 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 -0.48 0.00 -3.93 4.39 3.02 -1.21 -4.67 115.26 112.38 1mr6 n ASN 22 Ca 0.00 -0.22 -0.08 0.00 -0.03 0.00 0.00 54.58 54.25 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 -0.63 -2.62 0.00 0.00 177.26 174.01 1mr6 s ILE 23 N 0.00 0.00 0.27 2.41 1.01 0.14 -4.82 121.20 120.22 1mr6 s ILE 23 Ca 0.00 -1.21 0.08 0.00 0.00 0.00 0.00 60.65 59.53 1mr6 s ILE 23 Cb 0.00 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1mr6 s ILE 23 CO 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 174.94 175.04 1mr6 s VAL 25 N -2.26 -0.40 0.10 0.00 -7.23 0.60 -2.78 120.40 108.43 1mr6 s VAL 25 Ca 0.33 0.17 0.03 0.00 -1.81 0.00 0.00 61.98 60.70 1mr6 s VAL 25 Cb -0.07 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1mr6 s VAL 25 CO 0.22 0.07 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.46 1mr6 s LYS 26 N 2.18 0.85 0.35 4.82 1.02 -0.15 -1.08 119.74 127.73 1mr6 s LYS 26 Ca -0.03 -1.25 0.07 0.00 0.02 0.00 0.00 55.97 54.78 1mr6 s LYS 26 Cb -0.11 -0.38 -0.07 0.00 -0.52 0.00 0.00 37.83 36.75 1mr6 s LYS 26 CO -0.12 0.03 -0.03 1.03 -0.92 0.00 0.00 175.35 175.35 1mr6 s ARG 27 N -3.30 1.77 -0.29 1.68 3.00 -0.93 0.53 118.95 121.41 1mr6 s ARG 27 Ca 0.09 -1.95 -0.13 0.00 0.00 0.00 0.00 55.73 53.73 1mr6 s ARG 27 Cb 0.01 -1.42 0.11 0.00 0.00 0.00 0.00 34.95 33.65 1mr6 s ARG 27 CO -0.02 0.00 0.70 0.45 0.00 0.00 0.00 175.30 176.43 1mr6 s SER 28 N -3.58 -1.00 0.04 0.23 0.15 -1.07 -2.12 113.70 106.34 1mr6 s SER 28 Ca 0.33 1.48 -0.03 0.00 0.70 0.00 0.00 55.95 58.42 1mr6 s SER 28 Cb 0.06 1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 66.18 1mr6 s SER 28 CO 0.16 -0.22 0.04 -1.66 1.20 0.00 0.00 173.24 172.76 1mr6 s TRP 29 N 2.26 0.31 0.00 3.44 -2.14 -1.16 -3.88 118.94 117.77 1mr6 s TRP 29 Ca -0.08 -0.69 -0.22 0.00 2.66 0.00 0.00 56.10 57.78 1mr6 s TRP 29 Cb -0.08 -0.22 -0.05 0.00 -3.10 0.00 0.00 33.47 30.01 1mr6 s TRP 29 CO -0.19 -0.36 0.64 0.95 -2.66 0.00 0.00 176.95 175.33 1mr6 s THR 30 N -2.93 4.88 0.00 0.66 -4.23 -1.26 -1.09 115.64 111.67 1mr6 s THR 30 Ca -0.02 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1mr6 s THR 30 Cb 0.01 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1mr6 s THR 30 CO -0.06 0.40 0.00 0.00 -0.54 0.00 0.00 174.62 174.42 1mr6 n ALA 31 N 2.80 0.00 -2.21 3.99 0.00 -1.26 -4.95 120.51 118.88 1mr6 n ALA 31 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 1mr6 n ALA 31 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.17 4.69 0.18 0.00 0.11 -1.26 -4.74 120.40 117.22 1mr6 s VAL 32 Ca 0.00 1.10 0.01 0.00 -2.93 0.00 0.00 61.98 60.16 1mr6 s VAL 32 Cb 0.00 -3.81 -0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1mr6 s VAL 32 CO 0.00 0.25 0.02 0.54 -3.33 0.00 0.00 175.10 172.58 1mr6 n ARG 33 N 0.83 1.21 0.10 1.54 3.00 -1.26 -4.96 116.66 117.12 1mr6 n ARG 33 Ca -0.04 -1.43 -0.12 0.00 -0.01 0.00 0.00 57.85 56.25 1mr6 n ARG 33 Cb 0.51 0.54 -0.08 0.00 0.00 0.00 0.00 32.46 33.44 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1mr6 h GLY 34 N 0.55 -0.31 -5.00 -0.13 0.00 -2.01 -3.42 103.07 92.76 1mr6 h GLY 34 Ca -0.15 0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.08 1mr6 h GLY 34 CO 0.24 -0.11 -0.34 2.09 0.00 0.00 0.00 176.54 178.42 1mr6 n ASP 35 N -5.03 -1.86 -3.64 0.19 5.75 -1.26 -5.13 116.55 105.57 1mr6 n ASP 35 Ca -0.09 -2.43 -0.03 0.00 -0.01 0.00 0.00 54.79 52.23 1mr6 n ASP 35 Cb 0.26 0.99 -0.05 0.00 -1.03 0.00 0.00 41.12 41.28 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1mr6 s GLY 36 N -1.19 0.18 -0.05 6.12 0.00 -1.26 -5.14 107.32 105.98 1mr6 s GLY 36 Ca 0.21 3.07 -0.30 0.00 0.00 0.00 0.00 44.72 47.70 1mr6 s GLY 36 CO -0.09 1.43 1.06 2.56 0.00 0.00 0.00 173.10 178.06 1mr6 s PRO 37 N -0.61 4.44 -0.15 2.90 0.04 -1.26 -4.34 135.00 136.02 1mr6 s PRO 37 Ca 0.08 1.49 -0.32 0.00 0.04 0.00 0.00 61.00 62.30 1mr6 s PRO 37 Cb -0.03 -3.51 0.13 0.00 0.04 0.00 0.00 34.50 31.14 1mr6 s PRO 37 CO -0.11 -0.28 1.10 0.21 0.04 0.00 0.00 177.00 177.97 1mr6 s LYS 38 N 1.73 0.46 -0.67 4.56 2.20 -1.26 -5.10 119.74 121.67 1mr6 s LYS 38 Ca 0.52 -0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.79 1mr6 s LYS 38 Cb -0.21 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1mr6 s LYS 38 CO 0.22 -0.18 1.28 0.50 -0.36 0.00 0.00 175.35 176.81 1mr6 s ARG 39 N -2.02 3.28 -0.24 4.03 3.52 -1.26 -4.21 118.95 122.05 1mr6 s ARG 39 Ca 0.05 -0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.34 1mr6 s ARG 39 Cb -0.01 -4.13 -0.06 0.00 -1.56 0.00 0.00 34.95 29.19 1mr6 s ARG 39 CO -0.04 -2.01 2.22 -0.85 -0.81 0.00 0.00 175.30 173.80 1mr6 n GLU 40 N 9.04 1.79 -1.38 5.12 0.00 -0.25 -4.48 120.64 130.49 1mr6 n GLU 40 Ca 0.06 0.49 -0.05 0.00 0.00 0.00 0.00 57.16 57.66 1mr6 n GLU 40 Cb 0.49 -3.08 0.02 0.00 0.00 0.00 0.00 31.44 28.87 1mr6 n GLU 40 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1mr6 n ILE 41 N 7.61 0.00 -3.88 3.84 -5.35 -1.26 -2.99 119.36 117.34 1mr6 n ILE 41 Ca 0.32 -0.45 -0.09 0.00 -0.27 0.00 0.00 62.75 62.26 1mr6 n ILE 41 Cb 0.40 -0.99 -0.05 0.00 -1.74 0.00 0.00 39.64 37.27 1mr6 n ILE 41 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1mr6 s ARG 42 N -2.76 1.40 0.25 6.28 6.06 -0.90 -4.84 118.95 124.44 1mr6 s ARG 42 Ca 0.15 -1.07 -0.07 0.00 -2.50 0.00 0.00 55.73 52.24 1mr6 s ARG 42 Cb -0.01 0.47 -0.01 0.00 0.06 0.00 0.00 34.95 35.46 1mr6 s ARG 42 CO 0.10 -0.57 0.37 1.03 -2.50 0.00 0.00 175.30 173.73 1mr6 s ARG 43 N -3.94 1.51 0.00 5.12 3.00 -1.25 -2.19 118.95 121.20 1mr6 s ARG 43 Ca 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 55.73 54.42 1mr6 s ARG 43 Cb -0.00 0.40 0.00 0.00 0.00 0.00 0.00 34.95 35.35 1mr6 s ARG 43 CO 0.02 -0.59 0.00 0.39 0.00 0.00 0.00 175.30 175.11 1mr6 n GLU 44 N -0.38 0.00 -4.66 3.54 1.02 -0.24 -4.91 120.64 115.00 1mr6 n GLU 44 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1mr6 n GLU 44 Cb 0.63 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.93 1mr6 n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mr6 n ALA 46 N 2.44 0.00 -0.03 0.00 0.00 -0.31 -4.92 120.51 117.68 1mr6 n ALA 46 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1mr6 n ALA 46 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 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 1.39 -3.06 0.00 0.00 -1.26 0.27 120.51 114.85 1mr6 n ALA 47 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 53.44 52.59 1mr6 n ALA 47 Cb 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1mr6 n ALA 47 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mr6 n THR 48 N -3.08 0.00 -3.71 0.00 -2.24 -1.26 -4.66 114.28 99.33 1mr6 n THR 48 Ca -0.23 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 1mr6 n THR 48 Cb 1.07 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 1mr6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 s PRO 50 N -2.86 -2.25 0.05 0.00 0.04 -1.26 -4.95 135.00 123.78 1mr6 s PRO 50 Ca 0.39 -0.10 -0.17 0.00 0.04 0.00 0.00 61.00 61.16 1mr6 s PRO 50 Cb -0.12 -1.48 -0.16 0.00 0.04 0.00 0.00 34.50 32.79 1mr6 s PRO 50 CO 0.27 -4.38 1.28 -1.00 0.04 0.00 0.00 177.00 173.21 1mr6 h PRO 51 N -3.06 0.54 -1.41 0.56 0.13 -1.98 -3.43 132.00 123.36 1mr6 h PRO 51 Ca -0.42 -0.39 0.14 0.00 -0.87 0.00 0.00 66.00 64.47 1mr6 h PRO 51 Cb 1.31 0.07 -0.24 0.00 0.13 0.00 0.00 31.00 32.26 1mr6 h PRO 51 CO 0.27 1.01 0.69 -1.12 -0.23 0.00 0.00 178.00 178.63 1mr6 s SER 52 N -6.60 -0.25 0.12 1.44 0.01 -1.26 -4.47 113.70 102.69 1mr6 s SER 52 Ca -0.13 0.25 -0.16 0.00 1.31 0.00 0.00 55.95 57.22 1mr6 s SER 52 Cb 0.06 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 1mr6 s SER 52 CO 0.82 -0.24 1.63 0.50 0.41 0.00 0.00 173.24 176.36 1mr6 h LYS 53 N 2.34 0.57 0.00 12.44 3.11 -1.86 -3.41 116.57 129.77 1mr6 h LYS 53 Ca -0.14 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 1mr6 h LYS 53 Cb 1.17 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1mr6 h LYS 53 CO 0.28 0.60 -0.28 1.28 -2.81 0.00 0.00 179.45 178.51 1mr6 n LEU 54 N -4.62 0.41 0.00 5.20 4.32 -1.26 -4.98 117.00 116.06 1mr6 n LEU 54 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1mr6 n LEU 54 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1mr6 n LEU 54 CO 0.38 -0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1mr6 n GLY 55 N 1.99 0.00 0.00 -0.72 0.00 -1.26 -5.15 105.19 100.05 1mr6 n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mr6 n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mr6 n LEU 56 N 0.00 0.00 -4.90 0.99 0.00 -1.26 -5.04 117.00 106.78 1mr6 n LEU 56 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 1mr6 n LEU 56 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 1mr6 n LEU 56 CO 0.00 0.00 -0.16 -0.89 0.00 0.00 0.00 177.39 176.34 1mr6 s THR 57 N 3.97 5.35 0.51 1.96 2.01 -1.25 -4.71 115.64 123.47 1mr6 s THR 57 Ca 0.00 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 61.80 1mr6 s THR 57 Cb 0.00 -3.55 0.08 0.00 0.01 0.00 0.00 72.50 69.05 1mr6 s THR 57 CO 0.00 0.24 0.69 0.52 -0.69 0.00 0.00 174.62 175.38 1mr6 n VAL 58 N 0.67 0.00 -3.15 3.82 0.31 -1.26 -2.60 118.33 116.11 1mr6 n VAL 58 Ca -0.08 -1.71 0.03 0.00 -0.01 0.00 0.00 64.34 62.57 1mr6 n VAL 58 Cb 0.52 -0.55 -0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1mr6 n VAL 58 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1mr6 s PHE 59 N -2.16 -1.68 -0.06 3.52 2.19 0.19 -4.80 117.98 115.17 1mr6 s PHE 59 Ca 0.52 0.79 -0.01 0.00 0.33 0.00 0.00 56.93 58.56 1mr6 s PHE 59 Cb -0.04 0.29 -0.03 0.00 -1.31 0.00 0.00 43.02 41.93 1mr6 s PHE 59 CO 0.33 -1.02 0.01 0.00 1.83 0.00 0.00 175.22 176.37 1mr6 n THR 62 N 0.36 1.53 -3.87 0.00 -2.24 -1.26 -2.97 114.28 105.82 1mr6 n THR 62 Ca -0.14 -3.63 -0.11 0.00 -2.27 0.00 0.00 64.05 57.90 1mr6 n THR 62 Cb 0.58 0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.99 0.04 -0.21 4.28 2.01 -1.26 -5.09 115.64 111.41 1mr6 s THR 63 Ca 0.35 -0.31 -0.41 0.00 0.31 0.00 0.00 61.69 61.63 1mr6 s THR 63 Cb 0.42 -0.21 -0.17 0.00 0.01 0.00 0.00 72.50 72.54 1mr6 s THR 63 CO -0.03 -0.17 1.54 -0.90 -0.69 0.00 0.00 174.62 174.37 1mr6 n ASP 64 N 2.46 1.67 -1.41 3.53 5.75 -1.22 -3.44 116.55 123.89 1mr6 n ASP 64 Ca -0.16 1.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.74 1mr6 n ASP 64 Cb 0.58 -1.07 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1mr6 n ASP 64 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1mr6 n ASN 65 N 3.97 -3.07 -0.01 -1.12 6.94 0.33 -4.88 115.26 117.43 1mr6 n ASN 65 Ca 0.25 0.33 -0.01 0.00 -0.02 0.00 0.00 54.58 55.12 1mr6 n ASN 65 Cb 0.09 -0.65 -0.01 0.00 -2.36 0.00 0.00 39.78 36.86 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mr6 s ASN 67 N -4.84 6.24 0.00 0.00 3.04 -1.26 -4.98 114.94 113.14 1mr6 s ASN 67 Ca -0.02 -0.64 0.00 0.00 0.04 0.00 0.00 52.86 52.24 1mr6 s ASN 67 Cb 0.01 -2.45 0.00 0.00 -1.54 0.00 0.00 41.25 37.27 1mr6 s ASN 67 CO 0.03 -1.42 0.00 0.00 -3.04 0.00 0.00 177.10 172.66