#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 1.86 -0.07 0.03 -0.21 -1.26 0.73 119.66 120.74 1mr6 s GLN 2 Ca 0.00 -1.87 -0.03 0.00 0.02 0.00 0.00 55.36 53.48 1mr6 s GLN 2 Cb 0.00 -3.47 0.04 0.00 1.00 0.00 0.00 33.01 30.58 1mr6 s GLN 2 CO 0.00 -1.04 0.13 0.00 -2.12 0.00 0.00 175.29 172.26 1mr6 n LYS 4 N 4.74 -1.55 -2.71 0.00 4.76 -1.01 -4.19 118.16 118.19 1mr6 n LYS 4 Ca -0.16 -0.42 -0.08 0.00 -2.87 0.00 0.00 58.31 54.78 1mr6 n LYS 4 Cb 0.51 -1.99 0.11 0.00 -1.84 0.00 0.00 35.03 31.82 1mr6 n LYS 4 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1mr6 n THR 5 N -4.47 0.00 -0.57 -0.18 -2.24 -1.26 -4.68 114.28 100.88 1mr6 n THR 5 Ca 0.04 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1mr6 n THR 5 Cb 0.56 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 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 0.00 4.56 -0.25 0.00 7.64 -1.26 -4.70 113.62 119.61 1mr6 n SER 7 Ca 0.00 -2.93 0.22 0.00 1.01 0.00 0.00 58.87 57.16 1mr6 n SER 7 Cb 0.00 -1.63 0.55 0.00 -1.01 0.00 0.00 64.21 62.12 1mr6 n SER 7 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1mr6 h PHE 8 N 6.48 0.46 0.00 1.43 3.04 -1.86 0.79 116.94 127.27 1mr6 h PHE 8 Ca 0.47 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.44 1mr6 h PHE 8 Cb 0.72 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1mr6 h PHE 8 CO 1.37 0.10 0.00 2.48 -2.02 0.00 0.00 178.31 180.24 1mr6 n TYR 9 N -4.48 0.00 -1.83 0.41 4.11 -1.26 -1.95 117.16 112.15 1mr6 n TYR 9 Ca 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 58.06 1mr6 n TYR 9 Cb 0.78 -0.11 -0.04 0.00 -0.00 0.00 0.00 39.34 39.97 1mr6 n TYR 9 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1mr6 n THR 10 N -1.09 0.00 -3.67 -3.48 5.66 0.69 -5.07 114.28 107.31 1mr6 n THR 10 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1mr6 n THR 10 Cb 0.00 0.31 -0.09 0.00 -1.55 0.00 0.00 70.33 69.01 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 3.59 0.09 0.00 0.00 -0.04 -1.26 -4.32 135.00 133.06 1mr6 n PRO 12 Ca 0.08 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1mr6 n PRO 12 Cb 0.39 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.76 -0.04 -3.76 3.54 5.03 -1.26 -5.08 115.26 111.93 1mr6 n ASN 13 Ca 0.06 -0.02 -0.13 0.00 0.87 0.00 0.00 54.58 55.36 1mr6 n ASN 13 Cb 0.37 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.05 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1mr6 s SER 14 N -1.48 -0.18 -0.15 6.41 1.04 -1.26 -4.87 113.70 113.21 1mr6 s SER 14 Ca 0.00 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.41 1mr6 s SER 14 Cb 0.00 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.52 1mr6 s SER 14 CO 0.00 -0.48 0.24 -0.70 0.98 0.00 0.00 173.24 173.28 1mr6 s GLU 15 N -1.59 0.16 -0.23 4.02 -6.30 -1.26 -4.94 118.70 108.56 1mr6 s GLU 15 Ca -0.12 0.53 -0.21 0.00 -2.50 0.00 0.00 54.97 52.67 1mr6 s GLU 15 Cb -0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 34.13 33.59 1mr6 s GLU 15 CO 0.03 -0.43 0.66 0.99 0.02 0.00 0.00 175.26 176.52 1mr6 s THR 16 N 2.38 4.98 1.05 -1.70 2.01 -1.26 -1.62 115.64 121.48 1mr6 s THR 16 Ca 0.04 1.21 -0.13 0.00 0.31 0.00 0.00 61.69 63.13 1mr6 s THR 16 Cb -0.13 -3.96 0.18 0.00 0.01 0.00 0.00 72.50 68.60 1mr6 s THR 16 CO -0.10 0.05 0.84 0.00 -0.69 0.00 0.00 174.62 174.73 1mr6 n PRO 18 N -3.89 -1.21 -1.77 0.00 -0.04 -1.26 -4.17 135.00 122.65 1mr6 n PRO 18 Ca 0.06 -0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 62.33 1mr6 n PRO 18 Cb 0.54 -0.62 -0.01 0.00 -0.04 0.00 0.00 33.50 33.38 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 -3.56 6.44 0.00 3.54 8.00 -1.26 -3.33 116.55 126.38 1mr6 n ASP 19 Ca 0.07 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1mr6 n ASP 19 Cb 0.24 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.80 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 3.22 0.17 1.46 0.44 0.00 -1.26 -5.05 105.19 104.17 1mr6 n GLY 20 Ca 0.60 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.58 -0.55 0.00 1.61 4.76 -1.24 -4.90 118.16 116.26 1mr6 n LYS 21 Ca 0.00 -0.77 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 1mr6 n LYS 21 Cb 0.00 -0.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.67 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 -3.34 0.00 -3.41 4.39 3.02 -1.03 -2.41 115.26 112.48 1mr6 n ASN 22 Ca 0.06 -1.00 -0.07 0.00 -0.03 0.00 0.00 54.58 53.54 1mr6 n ASN 22 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.08 2.41 1.01 0.30 -4.76 121.20 120.08 1mr6 s ILE 23 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 1mr6 s ILE 23 Cb 0.00 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1mr6 s ILE 23 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 174.94 174.96 1mr6 s VAL 25 N -0.94 0.10 0.04 0.00 -7.23 -0.81 -2.15 120.40 109.41 1mr6 s VAL 25 Ca 0.15 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1mr6 s VAL 25 Cb -0.11 -0.74 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 1mr6 s VAL 25 CO 0.04 -0.46 0.14 -1.59 -0.31 0.00 0.00 175.10 172.92 1mr6 s LYS 26 N -2.11 0.63 -0.08 4.82 -2.85 -0.66 -2.39 119.74 117.09 1mr6 s LYS 26 Ca -0.09 -0.70 0.04 0.00 -1.00 0.00 0.00 55.97 54.22 1mr6 s LYS 26 Cb -0.03 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1mr6 s LYS 26 CO -0.02 -0.17 -0.20 1.03 0.10 0.00 0.00 175.35 176.09 1mr6 s ARG 27 N -2.60 2.54 -0.24 1.78 0.52 -0.33 -2.93 118.95 117.70 1mr6 s ARG 27 Ca -0.05 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1mr6 s ARG 27 Cb -0.01 -1.97 0.07 0.00 0.52 0.00 0.00 34.95 33.56 1mr6 s ARG 27 CO -0.04 0.14 0.04 -1.54 0.02 0.00 0.00 175.30 173.92 1mr6 s SER 28 N 0.41 3.46 0.28 0.23 1.04 -1.14 -2.25 113.70 115.73 1mr6 s SER 28 Ca -0.16 -1.16 0.05 0.00 0.48 0.00 0.00 55.95 55.16 1mr6 s SER 28 Cb -0.17 -0.78 -0.06 0.00 0.10 0.00 0.00 66.02 65.11 1mr6 s SER 28 CO 0.07 -0.33 -0.02 -1.66 0.98 0.00 0.00 173.24 172.28 1mr6 s TRP 29 N 1.70 1.89 -0.28 5.02 -2.14 -0.72 -2.24 118.94 122.17 1mr6 s TRP 29 Ca 0.02 -0.81 0.02 0.00 2.66 0.00 0.00 56.10 57.99 1mr6 s TRP 29 Cb -0.17 -1.13 0.42 0.00 -3.10 0.00 0.00 33.47 29.48 1mr6 s TRP 29 CO -0.14 0.15 1.59 -2.37 -2.66 0.00 0.00 176.95 173.52 1mr6 n THR 30 N -0.58 2.40 -1.57 0.66 5.66 -1.26 0.29 114.28 119.87 1mr6 n THR 30 Ca -0.05 -1.22 -0.42 0.00 -3.05 0.00 0.00 64.05 59.32 1mr6 n THR 30 Cb 0.64 -0.68 -0.03 0.00 -1.55 0.00 0.00 70.33 68.70 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 -0.52 1.47 -1.78 1.79 0.00 -1.26 -4.75 120.51 115.46 1mr6 n ALA 31 Ca 0.38 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1mr6 n ALA 31 Cb 1.22 -2.97 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 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 9.32 3.85 0.00 0.00 0.11 -1.26 -4.30 120.40 128.12 1mr6 s VAL 32 Ca 1.01 1.49 0.00 0.00 -2.93 0.00 0.00 61.98 61.55 1mr6 s VAL 32 Cb -0.34 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 1mr6 s VAL 32 CO 0.34 0.08 0.00 0.54 -3.33 0.00 0.00 175.10 172.72 1mr6 n ARG 33 N 0.23 0.00 0.00 1.54 1.74 -1.26 -5.05 116.66 113.86 1mr6 n ARG 33 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1mr6 n ARG 33 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mr6 n GLY 34 N 0.15 0.00 0.10 -0.13 0.00 -1.26 -4.92 105.19 99.12 1mr6 n GLY 34 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1mr6 n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mr6 h ASP 35 N 0.00 0.30 -1.33 1.61 5.19 -1.99 -3.46 116.42 116.74 1mr6 h ASP 35 Ca 0.00 -0.29 0.16 0.00 -0.62 0.00 0.00 57.03 56.27 1mr6 h ASP 35 Cb 0.00 -0.09 -0.24 0.00 0.18 0.00 0.00 39.33 39.18 1mr6 h ASP 35 CO 0.00 1.19 0.21 -0.83 -3.12 0.00 0.00 179.24 176.69 1mr6 s GLY 36 N -4.62 -0.22 -0.06 2.75 0.00 -1.26 -5.03 107.32 98.88 1mr6 s GLY 36 Ca -0.03 2.99 -0.05 0.00 0.00 0.00 0.00 44.72 47.64 1mr6 s GLY 36 CO 0.86 3.12 3.21 -1.55 0.00 0.00 0.00 173.10 178.74 1mr6 n PRO 37 N 4.83 1.87 0.00 2.90 -0.04 -1.26 -4.37 135.00 138.93 1mr6 n PRO 37 Ca -0.11 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1mr6 n PRO 37 Cb 0.53 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.08 0.00 -3.64 0.54 4.76 -1.26 -4.93 118.16 115.71 1mr6 n LYS 38 Ca 0.36 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.75 1mr6 n LYS 38 Cb 0.80 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.93 1mr6 n LYS 38 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1mr6 s ARG 39 N 0.00 0.65 0.18 1.97 1.70 -1.25 -4.24 118.95 117.96 1mr6 s ARG 39 Ca 0.00 1.25 -0.19 0.00 -0.47 0.00 0.00 55.73 56.31 1mr6 s ARG 39 Cb 0.00 0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1mr6 s ARG 39 CO 0.00 -0.16 0.67 -1.21 -1.08 0.00 0.00 175.30 173.53 1mr6 s GLU 40 N 1.96 4.24 0.31 3.89 0.41 0.15 -4.79 118.70 124.87 1mr6 s GLU 40 Ca -0.09 0.82 0.03 0.00 -0.41 0.00 0.00 54.97 55.32 1mr6 s GLU 40 Cb -0.07 -3.00 -0.05 0.00 -1.78 0.00 0.00 34.13 29.24 1mr6 s GLU 40 CO -0.19 0.47 0.09 0.96 -0.49 0.00 0.00 175.26 176.10 1mr6 s ILE 41 N -1.40 0.76 0.07 -1.63 -4.36 -1.26 -1.75 121.20 111.64 1mr6 s ILE 41 Ca 0.39 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.51 1mr6 s ILE 41 Cb -0.18 -2.64 0.09 0.00 1.25 0.00 0.00 42.46 40.98 1mr6 s ILE 41 CO 0.21 0.00 0.80 -0.60 0.24 0.00 0.00 174.94 175.59 1mr6 s ARG 42 N -3.91 1.02 0.43 0.37 3.52 -0.95 -4.93 118.95 114.49 1mr6 s ARG 42 Ca 0.35 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1mr6 s ARG 42 Cb 0.07 0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 33.90 1mr6 s ARG 42 CO 0.15 -0.45 0.12 0.54 -0.81 0.00 0.00 175.30 174.85 1mr6 n ARG 43 N -0.31 0.62 0.00 5.12 3.00 -1.26 -1.18 116.66 122.65 1mr6 n ARG 43 Ca -0.11 -3.48 0.00 0.00 -0.01 0.00 0.00 57.85 54.25 1mr6 n ARG 43 Cb 0.63 1.70 0.00 0.00 0.00 0.00 0.00 32.46 34.78 1mr6 n ARG 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1mr6 n GLU 44 N -0.98 0.00 -3.58 5.56 -0.58 -1.01 -4.95 120.64 115.10 1mr6 n GLU 44 Ca -0.09 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.28 1mr6 n GLU 44 Cb 0.61 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.42 1mr6 n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mr6 n ALA 46 N 2.17 -0.52 0.00 0.00 0.00 -1.06 -4.85 120.51 116.25 1mr6 n ALA 46 Ca -0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 53.44 52.94 1mr6 n ALA 46 Cb 0.53 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.20 0.00 0.00 0.00 -1.89 0.86 119.26 120.03 1mr6 h ALA 47 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mr6 h ALA 47 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1mr6 h ALA 47 CO 0.12 -0.20 -0.65 0.25 0.00 0.00 0.00 179.25 178.77 1mr6 n THR 48 N -2.07 0.99 -3.76 0.00 -2.24 -1.26 -4.25 114.28 101.69 1mr6 n THR 48 Ca -0.00 0.26 0.03 0.00 -2.27 0.00 0.00 64.05 62.07 1mr6 n THR 48 Cb 0.00 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.17 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 -2.15 0.57 -0.02 0.00 0.04 -1.26 -4.99 135.00 127.20 1mr6 s PRO 50 Ca 0.21 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.26 1mr6 s PRO 50 Cb 0.03 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1mr6 s PRO 50 CO -0.04 -2.59 1.08 -1.25 0.04 0.00 0.00 177.00 174.24 1mr6 s PRO 51 N -5.19 4.46 0.15 0.56 0.04 -1.26 -4.98 135.00 128.78 1mr6 s PRO 51 Ca 0.66 1.54 0.10 0.00 0.04 0.00 0.00 61.00 63.34 1mr6 s PRO 51 Cb -0.15 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1mr6 s PRO 51 CO 0.55 -0.23 -0.24 -1.12 0.04 0.00 0.00 177.00 176.01 1mr6 s SER 52 N 1.12 3.16 0.00 6.66 0.01 -1.26 -5.02 113.70 118.37 1mr6 s SER 52 Ca 0.53 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1mr6 s SER 52 Cb -0.23 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1mr6 s SER 52 CO 0.25 0.12 0.00 0.29 0.41 0.00 0.00 173.24 174.31 1mr6 n LYS 53 N 0.66 0.00 0.00 12.44 5.02 -1.26 -4.95 118.16 130.06 1mr6 n LYS 53 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1mr6 n LYS 53 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1mr6 n LEU 54 N -0.20 0.00 0.00 -0.35 -0.00 -1.26 -3.30 117.00 111.89 1mr6 n LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1mr6 n LEU 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1mr6 n LEU 54 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1mr6 n GLY 55 N -0.25 0.00 3.93 1.47 0.00 -1.26 -5.15 105.19 103.93 1mr6 n GLY 55 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1mr6 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mr6 s LEU 56 N 0.00 4.17 -0.17 0.99 2.96 -1.21 -4.41 118.68 121.01 1mr6 s LEU 56 Ca 0.00 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1mr6 s LEU 56 Cb 0.00 -3.20 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1mr6 s LEU 56 CO 0.00 -0.13 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.84 1mr6 s THR 57 N -2.02 2.45 0.17 3.68 2.01 -0.95 -4.60 115.64 116.37 1mr6 s THR 57 Ca 0.39 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 1mr6 s THR 57 Cb -0.10 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.30 1mr6 s THR 57 CO 0.31 0.52 0.56 -0.69 -0.69 0.00 0.00 174.62 174.63 1mr6 s VAL 58 N 1.02 4.85 -0.04 3.82 1.01 -1.26 -2.89 120.40 126.91 1mr6 s VAL 58 Ca -0.02 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 1mr6 s VAL 58 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1mr6 s VAL 58 CO -0.04 0.18 0.10 0.12 0.00 0.00 0.00 175.10 175.46 1mr6 s PHE 59 N -1.54 -0.11 0.36 5.22 2.19 -1.15 -4.98 117.98 117.96 1mr6 s PHE 59 Ca 0.40 0.30 0.06 0.00 0.33 0.00 0.00 56.93 58.02 1mr6 s PHE 59 Cb -0.14 0.00 -0.03 0.00 -1.31 0.00 0.00 43.02 41.54 1mr6 s PHE 59 CO 0.19 -0.07 0.23 0.00 1.83 0.00 0.00 175.22 177.40 1mr6 n THR 62 N 5.01 5.82 -1.54 0.00 -2.24 -1.26 -2.60 114.28 117.47 1mr6 n THR 62 Ca -0.14 -5.95 0.00 0.00 -2.27 0.00 0.00 64.05 55.69 1mr6 n THR 62 Cb 0.52 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1mr6 n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mr6 n THR 63 N 0.49 0.00 -3.88 4.28 -2.24 -1.26 -5.12 114.28 106.55 1mr6 n THR 63 Ca 0.39 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.82 1mr6 n THR 63 Cb 0.29 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1mr6 n THR 63 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1mr6 s ASP 64 N 1.61 6.39 0.00 3.42 1.47 -1.24 -4.10 116.67 124.23 1mr6 s ASP 64 Ca 0.00 0.43 0.00 0.00 1.18 0.00 0.00 52.55 54.16 1mr6 s ASP 64 Cb 0.00 -2.05 0.00 0.00 -0.34 0.00 0.00 42.92 40.53 1mr6 s ASP 64 CO 0.00 0.34 0.00 0.59 0.68 0.00 0.00 175.17 176.78 1mr6 n ASN 65 N 1.54 0.00 0.00 2.11 3.02 0.44 -4.84 115.26 117.53 1mr6 n ASN 65 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1mr6 n ASN 65 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.00 0.00 0.00 0.00 0.23 -1.26 -4.64 115.26 109.59 1mr6 n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1mr6 n ASN 67 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1mr6 n ASN 67 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74