#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 0.43 -0.24 3.17 -0.21 -1.26 -3.05 119.66 118.50 1mr6 s GLN 2 Ca 0.00 0.85 -0.03 0.00 0.02 0.00 0.00 55.36 56.20 1mr6 s GLN 2 Cb 0.00 0.09 0.11 0.00 1.00 0.00 0.00 33.01 34.22 1mr6 s GLN 2 CO 0.00 -0.52 0.27 0.00 -2.12 0.00 0.00 175.29 172.92 1mr6 n LYS 4 N 5.32 0.63 -3.17 0.00 2.85 -1.11 -4.60 118.16 118.09 1mr6 n LYS 4 Ca -0.04 0.25 -0.15 0.00 -1.05 0.00 0.00 58.31 57.32 1mr6 n LYS 4 Cb 0.49 -1.98 -0.05 0.00 -0.65 0.00 0.00 35.03 32.84 1mr6 n LYS 4 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1mr6 s THR 5 N -1.67 -0.37 0.00 0.58 -4.23 -1.26 -4.55 115.64 104.13 1mr6 s THR 5 Ca 0.72 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1mr6 s THR 5 Cb -0.40 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1mr6 s THR 5 CO 0.51 -0.58 0.00 0.00 -0.54 0.00 0.00 174.62 174.01 1mr6 n SER 7 N -0.72 0.06 -4.88 0.00 2.88 -1.26 -3.94 113.62 105.75 1mr6 n SER 7 Ca 0.00 0.02 -0.30 0.00 -1.33 0.00 0.00 58.87 57.27 1mr6 n SER 7 Cb 0.00 1.74 0.01 0.00 -0.75 0.00 0.00 64.21 65.21 1mr6 n SER 7 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1mr6 s PHE 8 N -3.35 3.60 0.52 0.66 5.36 -1.26 -4.75 117.98 118.76 1mr6 s PHE 8 Ca -0.08 1.10 0.17 0.00 -0.96 0.00 0.00 56.93 57.16 1mr6 s PHE 8 Cb 0.13 -2.56 1.31 0.00 -0.34 0.00 0.00 43.02 41.55 1mr6 s PHE 8 CO 0.89 -0.53 2.15 -0.92 -1.46 0.00 0.00 175.22 175.35 1mr6 h TYR 9 N -0.11 0.00 -4.13 10.12 3.20 -1.92 -3.41 116.97 120.72 1mr6 h TYR 9 Ca -0.45 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 60.87 1mr6 h TYR 9 Cb 1.20 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 39.21 1mr6 h TYR 9 CO 0.63 0.00 -0.83 -0.08 -1.64 0.00 0.00 178.16 176.24 1mr6 s THR 10 N -5.04 1.53 -0.32 1.81 -1.32 -1.26 -4.76 115.64 106.28 1mr6 s THR 10 Ca -0.05 -1.15 0.06 0.00 -1.21 0.00 0.00 61.69 59.34 1mr6 s THR 10 Cb 0.17 -1.34 0.20 0.00 -1.51 0.00 0.00 72.50 70.02 1mr6 s THR 10 CO 0.66 0.15 0.60 0.00 -2.21 0.00 0.00 174.62 173.83 1mr6 h PRO 12 N 7.78 0.00 0.70 0.00 0.13 -1.98 -3.32 132.00 135.31 1mr6 h PRO 12 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1mr6 h PRO 12 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1mr6 h PRO 12 CO 0.14 0.00 -0.34 -0.97 -0.23 0.00 0.00 178.00 176.60 1mr6 h ASN 13 N 0.00 -0.80 -4.30 1.44 -0.73 -2.03 -3.43 115.58 105.73 1mr6 h ASN 13 Ca 0.00 0.03 -0.52 0.00 1.87 0.00 0.00 56.30 57.68 1mr6 h ASN 13 Cb 0.69 0.21 0.15 0.00 0.27 0.00 0.00 38.32 39.63 1mr6 h ASN 13 CO 0.00 -0.50 0.29 -0.44 -0.37 0.00 0.00 177.43 176.41 1mr6 s SER 14 N -3.91 4.07 0.00 1.15 0.01 -1.25 -4.95 113.70 108.81 1mr6 s SER 14 Ca -0.14 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1mr6 s SER 14 Cb 0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1mr6 s SER 14 CO 0.41 -2.33 0.00 1.21 0.41 0.00 0.00 173.24 172.94 1mr6 n GLU 15 N -3.72 0.00 -1.78 12.44 2.13 -1.26 -4.49 120.64 123.95 1mr6 n GLU 15 Ca 0.10 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.51 1mr6 n GLU 15 Cb 0.53 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.25 1mr6 n GLU 15 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1mr6 s THR 16 N 0.51 2.02 0.78 6.31 2.01 -1.26 0.21 115.64 126.22 1mr6 s THR 16 Ca 0.00 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 1mr6 s THR 16 Cb 0.00 -3.01 0.06 0.00 0.01 0.00 0.00 72.50 69.56 1mr6 s THR 16 CO 0.00 0.00 1.12 0.00 -0.69 0.00 0.00 174.62 175.05 1mr6 s PRO 18 N -5.31 -0.66 -0.57 0.00 0.04 -1.26 -4.89 135.00 122.35 1mr6 s PRO 18 Ca 0.60 -0.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.57 1mr6 s PRO 18 Cb -0.13 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 1mr6 s PRO 18 CO 0.52 -3.35 3.07 -0.25 0.04 0.00 0.00 177.00 177.03 1mr6 n ASP 19 N -4.51 6.55 0.00 6.66 8.00 -1.26 -3.72 116.55 128.26 1mr6 n ASP 19 Ca 0.12 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.78 1mr6 n ASP 19 Cb 0.59 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 1.96 0.31 0.00 0.44 0.00 -1.26 -5.13 105.19 101.51 1mr6 n GLY 20 Ca 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.49 0.42 -0.11 1.61 4.76 -1.24 -5.01 118.16 117.09 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 -1.69 0.00 -3.02 4.39 3.02 -0.79 -4.88 115.26 112.28 1mr6 n ASN 22 Ca 0.00 -0.75 -0.08 0.00 -0.03 0.00 0.00 54.58 53.72 1mr6 n ASN 22 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.15 2.41 1.01 0.27 -4.80 121.20 119.93 1mr6 s ILE 23 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 1mr6 s ILE 23 Cb 0.00 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1mr6 s ILE 23 CO 0.00 0.00 0.07 0.00 0.00 0.00 0.00 174.94 175.01 1mr6 s VAL 25 N -0.21 0.14 -0.29 0.00 -7.23 -0.88 -1.32 120.40 110.61 1mr6 s VAL 25 Ca 0.08 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 59.01 1mr6 s VAL 25 Cb -0.12 -1.01 0.12 0.00 0.56 0.00 0.00 36.38 35.92 1mr6 s VAL 25 CO 0.01 -0.62 0.67 -0.75 -0.31 0.00 0.00 175.10 174.10 1mr6 s LYS 26 N -2.89 0.61 0.49 4.82 2.20 -0.35 -2.23 119.74 122.39 1mr6 s LYS 26 Ca -0.03 1.38 -0.11 0.00 -0.36 0.00 0.00 55.97 56.85 1mr6 s LYS 26 Cb 0.00 0.67 -0.06 0.00 -1.51 0.00 0.00 37.83 36.94 1mr6 s LYS 26 CO -0.06 -0.18 0.88 1.03 -0.36 0.00 0.00 175.35 176.66 1mr6 s ARG 27 N 2.54 3.74 -0.26 4.03 0.52 -0.52 -0.60 118.95 128.41 1mr6 s ARG 27 Ca -0.07 0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 55.70 1mr6 s ARG 27 Cb -0.10 -2.26 0.14 0.00 0.52 0.00 0.00 34.95 33.25 1mr6 s ARG 27 CO -0.19 -0.24 0.49 -1.54 0.02 0.00 0.00 175.30 173.84 1mr6 s SER 28 N -3.51 -0.55 0.24 0.23 1.04 -0.88 -1.49 113.70 108.78 1mr6 s SER 28 Ca 0.53 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.81 1mr6 s SER 28 Cb -0.10 1.66 -0.04 0.00 0.10 0.00 0.00 66.02 67.63 1mr6 s SER 28 CO 0.38 -0.26 0.15 -1.66 0.98 0.00 0.00 173.24 172.83 1mr6 s TRP 29 N 2.71 1.37 -0.18 5.02 -2.14 -1.18 -3.25 118.94 121.28 1mr6 s TRP 29 Ca 0.08 -1.38 0.14 0.00 2.66 0.00 0.00 56.10 57.60 1mr6 s TRP 29 Cb -0.14 -0.69 0.43 0.00 -3.10 0.00 0.00 33.47 29.98 1mr6 s TRP 29 CO -0.17 -0.60 1.20 -2.37 -2.66 0.00 0.00 176.95 172.36 1mr6 n THR 30 N -0.40 1.77 0.22 0.66 5.66 -1.26 -0.65 114.28 120.27 1mr6 n THR 30 Ca 0.02 -2.92 0.13 0.00 -3.05 0.00 0.00 64.05 58.23 1mr6 n THR 30 Cb 0.65 -0.05 0.68 0.00 -1.55 0.00 0.00 70.33 70.07 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 1.24 1.09 -1.44 1.79 0.00 -1.93 -3.37 119.26 116.63 1mr6 h ALA 31 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1mr6 h ALA 31 Cb 1.27 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 1mr6 h ALA 31 CO 0.14 -0.09 0.92 0.54 0.00 0.00 0.00 179.25 180.76 1mr6 s VAL 32 N -3.67 3.91 0.00 0.00 0.11 -1.26 -4.68 120.40 114.81 1mr6 s VAL 32 Ca -0.03 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1mr6 s VAL 32 Cb 0.07 -4.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.07 1mr6 s VAL 32 CO 0.23 -1.74 0.75 -2.11 -3.33 0.00 0.00 175.10 168.90 1mr6 n ARG 33 N 8.86 0.00 -0.11 1.54 1.85 -1.21 -1.59 116.66 126.00 1mr6 n ARG 33 Ca 0.02 -0.75 -0.11 0.00 -1.00 0.00 0.00 57.85 56.01 1mr6 n ARG 33 Cb 0.48 -0.50 -0.03 0.00 -1.05 0.00 0.00 32.46 31.36 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1mr6 h GLY 34 N 0.00 0.67 0.00 2.89 0.00 -1.96 -3.35 103.07 101.33 1mr6 h GLY 34 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1mr6 h GLY 34 CO 0.00 0.49 -1.35 1.22 0.00 0.00 0.00 176.54 176.89 1mr6 n ASP 35 N -4.47 3.44 -3.55 0.19 9.92 -1.26 -5.06 116.55 115.76 1mr6 n ASP 35 Ca -0.02 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.13 1mr6 n ASP 35 Cb 0.31 1.09 -0.04 0.00 -0.64 0.00 0.00 41.12 41.83 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1mr6 s GLY 36 N -3.13 -0.36 -1.19 0.44 0.00 -1.26 -5.08 107.32 96.76 1mr6 s GLY 36 Ca -0.03 1.65 -0.20 0.00 0.00 0.00 0.00 44.72 46.14 1mr6 s GLY 36 CO 0.28 0.80 1.68 2.56 0.00 0.00 0.00 173.10 178.41 1mr6 s PRO 37 N -1.76 3.67 0.52 2.90 0.04 -1.25 -3.28 135.00 135.84 1mr6 s PRO 37 Ca -0.00 -1.58 0.07 0.00 0.04 0.00 0.00 61.00 59.53 1mr6 s PRO 37 Cb -0.01 -5.44 0.04 0.00 0.04 0.00 0.00 34.50 29.13 1mr6 s PRO 37 CO -0.01 -2.45 0.49 0.21 0.04 0.00 0.00 177.00 175.28 1mr6 s LYS 38 N 4.79 2.33 -0.30 4.56 2.20 -0.62 -5.03 119.74 127.68 1mr6 s LYS 38 Ca 0.54 -1.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.35 1mr6 s LYS 38 Cb 0.02 -2.29 0.08 0.00 -1.51 0.00 0.00 37.83 34.13 1mr6 s LYS 38 CO 0.03 -0.57 0.01 0.50 -0.36 0.00 0.00 175.35 174.95 1mr6 s ARG 39 N -4.33 1.51 -0.52 4.03 3.52 -1.26 -4.09 118.95 117.81 1mr6 s ARG 39 Ca 0.44 -1.47 -0.28 0.00 -0.13 0.00 0.00 55.73 54.29 1mr6 s ARG 39 Cb -0.03 -2.82 0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1mr6 s ARG 39 CO 0.27 -0.81 1.13 -1.83 -0.81 0.00 0.00 175.30 173.25 1mr6 s GLU 40 N 1.16 3.62 0.00 5.12 -1.05 0.17 -4.78 118.70 122.94 1mr6 s GLU 40 Ca 0.04 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 1mr6 s GLU 40 Cb -0.19 -3.95 0.00 0.00 -0.44 0.00 0.00 34.13 29.55 1mr6 s GLU 40 CO -0.10 -1.48 0.00 0.44 0.95 0.00 0.00 175.26 175.07 1mr6 n ILE 41 N 6.74 0.00 -3.80 1.83 -6.64 -1.26 -3.09 119.36 113.14 1mr6 n ILE 41 Ca 0.10 0.00 -0.00 0.00 -1.77 0.00 0.00 62.75 61.08 1mr6 n ILE 41 Cb 0.49 -0.99 0.00 0.00 -1.44 0.00 0.00 39.64 37.70 1mr6 n ILE 41 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 1mr6 s ARG 42 N 1.09 0.75 0.32 6.28 3.52 -0.55 -4.87 118.95 125.49 1mr6 s ARG 42 Ca 0.00 -0.45 -0.19 0.00 -0.13 0.00 0.00 55.73 54.95 1mr6 s ARG 42 Cb 0.00 0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.65 1mr6 s ARG 42 CO 0.00 -0.35 0.75 -0.98 -0.81 0.00 0.00 175.30 173.91 1mr6 s ARG 43 N -2.41 1.94 0.00 5.12 3.03 -1.25 -1.44 118.95 123.94 1mr6 s ARG 43 Ca 0.19 -1.15 0.00 0.00 2.03 0.00 0.00 55.73 56.81 1mr6 s ARG 43 Cb 0.01 0.61 0.00 0.00 -1.03 0.00 0.00 34.95 34.54 1mr6 s ARG 43 CO 0.00 -0.90 0.00 0.39 -1.13 0.00 0.00 175.30 173.66 1mr6 n GLU 44 N -0.49 0.00 -3.56 3.89 1.02 -0.95 -4.72 120.64 115.84 1mr6 n GLU 44 Ca -0.06 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.71 1mr6 n GLU 44 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.95 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 1.74 0.00 0.00 0.00 0.00 -1.13 -4.66 120.51 116.47 1mr6 n ALA 46 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 1mr6 n ALA 46 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 1mr6 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mr6 h ALA 47 N 2.00 -0.14 0.00 0.00 0.00 -1.91 0.78 119.26 120.00 1mr6 h ALA 47 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mr6 h ALA 47 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mr6 h ALA 47 CO 0.00 -0.14 -0.78 0.25 0.00 0.00 0.00 179.25 178.59 1mr6 n THR 48 N -2.44 1.44 -3.56 0.00 -2.24 -1.26 -4.41 114.28 101.81 1mr6 n THR 48 Ca -0.00 0.20 0.04 0.00 -2.27 0.00 0.00 64.05 62.02 1mr6 n THR 48 Cb 0.01 -2.18 0.00 0.00 -2.10 0.00 0.00 70.33 66.06 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 -2.01 -0.14 -1.09 0.00 0.04 -1.26 -4.89 135.00 125.66 1mr6 s PRO 50 Ca 0.15 -0.03 -0.22 0.00 0.04 0.00 0.00 61.00 60.94 1mr6 s PRO 50 Cb 0.08 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 1mr6 s PRO 50 CO -0.07 -3.00 1.77 -1.25 0.04 0.00 0.00 177.00 174.50 1mr6 s PRO 51 N -5.47 3.12 -0.14 0.56 0.04 -1.26 -4.61 135.00 127.24 1mr6 s PRO 51 Ca 0.70 -1.09 0.05 0.00 0.04 0.00 0.00 61.00 60.70 1mr6 s PRO 51 Cb -0.10 -5.29 -0.12 0.00 0.04 0.00 0.00 34.50 29.03 1mr6 s PRO 51 CO 0.55 -2.98 -0.06 0.45 0.04 0.00 0.00 177.00 175.00 1mr6 n SER 52 N 11.55 2.47 0.00 6.66 2.88 -1.26 -4.47 113.62 131.45 1mr6 n SER 52 Ca 0.41 -0.05 0.04 0.00 -1.33 0.00 0.00 58.87 57.95 1mr6 n SER 52 Cb 0.48 0.20 0.20 0.00 -0.75 0.00 0.00 64.21 64.34 1mr6 n SER 52 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1mr6 n LYS 53 N -2.73 0.00 -0.50 -1.46 5.02 -1.26 0.39 118.16 117.61 1mr6 n LYS 53 Ca -0.24 0.34 0.41 0.00 -2.02 0.00 0.00 58.31 56.80 1mr6 n LYS 53 Cb 0.83 -1.50 0.72 0.00 -0.02 0.00 0.00 35.03 35.06 1mr6 n LYS 53 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1mr6 h LEU 54 N 0.00 0.14 0.00 -0.35 4.07 -1.95 -3.29 115.31 113.93 1mr6 h LEU 54 Ca 0.00 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1mr6 h LEU 54 Cb 0.16 0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1mr6 h LEU 54 CO 0.00 -0.08 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 1mr6 n GLY 55 N -1.69 0.00 0.00 0.83 0.00 -1.15 -5.16 105.19 98.02 1mr6 n GLY 55 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.18 0.99 0.00 0.16 -5.10 117.00 108.87 1mr6 n LEU 56 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.70 1mr6 n LEU 56 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.25 1mr6 n LEU 56 CO 0.00 0.00 -0.54 -0.89 0.00 0.00 0.00 177.39 175.96 1mr6 s THR 57 N -1.68 1.96 -0.07 1.96 2.01 -1.20 -4.14 115.64 114.46 1mr6 s THR 57 Ca 0.00 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1mr6 s THR 57 Cb 0.00 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1mr6 s THR 57 CO 0.00 0.53 0.12 -0.69 -0.69 0.00 0.00 174.62 173.90 1mr6 s VAL 58 N 0.55 5.22 -0.48 3.82 1.01 -1.26 -2.07 120.40 127.18 1mr6 s VAL 58 Ca -0.14 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1mr6 s VAL 58 Cb -0.17 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 33.03 1mr6 s VAL 58 CO 0.05 0.51 0.27 0.12 0.00 0.00 0.00 175.10 176.04 1mr6 s PHE 59 N -1.11 2.38 0.40 5.22 5.36 0.23 -4.93 117.98 125.52 1mr6 s PHE 59 Ca 0.19 -2.69 0.08 0.00 -0.96 0.00 0.00 56.93 53.55 1mr6 s PHE 59 Cb -0.12 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 1mr6 s PHE 59 CO 0.09 -0.75 0.39 0.00 -1.46 0.00 0.00 175.22 173.48 1mr6 n THR 62 N 0.57 3.42 -3.87 0.00 -2.24 -1.26 -2.74 114.28 108.17 1mr6 n THR 62 Ca -0.16 -5.49 -0.04 0.00 -2.27 0.00 0.00 64.05 56.09 1mr6 n THR 62 Cb 0.59 -2.02 0.02 0.00 -2.10 0.00 0.00 70.33 66.82 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 -2.80 0.00 0.45 4.28 -1.32 -1.26 -5.10 115.64 109.89 1mr6 s THR 63 Ca 0.38 -0.64 -0.25 0.00 -1.21 0.00 0.00 61.69 59.98 1mr6 s THR 63 Cb 0.13 -2.83 -0.08 0.00 -1.51 0.00 0.00 72.50 68.22 1mr6 s THR 63 CO 0.01 0.00 1.31 1.51 -2.21 0.00 0.00 174.62 175.24 1mr6 s ASP 64 N -3.34 6.01 0.00 8.08 1.47 -1.25 -3.90 116.67 123.74 1mr6 s ASP 64 Ca 0.20 2.66 0.00 0.00 1.18 0.00 0.00 52.55 56.60 1mr6 s ASP 64 Cb -0.03 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.92 1mr6 s ASP 64 CO 0.06 -1.06 0.00 0.59 0.68 0.00 0.00 175.17 175.44 1mr6 n ASN 65 N -0.25 0.00 0.02 2.11 5.03 0.25 -4.76 115.26 117.66 1mr6 n ASN 65 Ca 0.06 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.32 1mr6 n ASN 65 Cb 0.44 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.10 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mr6 n ASN 67 N -4.02 7.55 0.00 0.00 3.02 -1.26 -5.09 115.26 115.46 1mr6 n ASN 67 Ca -0.10 -3.34 0.02 0.00 -0.03 0.00 0.00 54.58 51.13 1mr6 n ASN 67 Cb 0.78 -1.27 0.10 0.00 -0.61 0.00 0.00 39.78 38.78 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64