#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 2.20 0.32 0.03 1.11 -1.26 -0.94 119.66 121.11 1mr6 s GLN 2 Ca 0.00 -0.89 0.02 0.00 0.01 0.00 0.00 55.36 54.50 1mr6 s GLN 2 Cb 0.00 -2.48 -0.01 0.00 -1.01 0.00 0.00 33.01 29.51 1mr6 s GLN 2 CO 0.00 -0.41 0.08 0.00 0.01 0.00 0.00 175.29 174.97 1mr6 s LYS 4 N -3.19 2.10 -0.46 0.00 1.02 -1.26 -2.97 119.74 114.99 1mr6 s LYS 4 Ca 0.11 -1.99 0.07 0.00 0.02 0.00 0.00 55.97 54.19 1mr6 s LYS 4 Cb 0.01 -3.60 0.40 0.00 -0.52 0.00 0.00 37.83 34.12 1mr6 s LYS 4 CO 0.08 -1.09 1.03 0.25 -0.92 0.00 0.00 175.35 174.70 1mr6 n THR 5 N 4.33 2.25 0.00 2.17 -2.24 -1.26 -4.47 114.28 115.06 1mr6 n THR 5 Ca 0.00 -4.85 0.00 0.00 -2.27 0.00 0.00 64.05 56.93 1mr6 n THR 5 Cb 0.40 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.47 -0.92 0.00 2.88 -1.26 -4.89 113.62 108.96 1mr6 n SER 7 Ca 0.00 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 1mr6 n SER 7 Cb 0.00 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.13 -0.51 -2.02 0.66 7.35 -1.26 -5.04 117.46 116.50 1mr6 n PHE 8 Ca 0.07 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.50 1mr6 n PHE 8 Cb 0.79 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.64 1mr6 n PHE 8 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1mr6 n TYR 9 N 0.00 2.91 0.00 -5.13 0.18 -1.26 -4.79 117.16 109.07 1mr6 n TYR 9 Ca 0.00 -2.44 0.00 0.00 1.88 0.00 0.00 57.90 57.34 1mr6 n TYR 9 Cb 0.00 -0.43 0.00 0.00 -0.38 0.00 0.00 39.34 38.53 1mr6 n TYR 9 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 1mr6 n THR 10 N -0.69 0.00 -3.58 -3.48 5.66 -1.13 -5.03 114.28 106.02 1mr6 n THR 10 Ca 0.45 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 61.05 1mr6 n THR 10 Cb 0.88 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.57 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 4.89 0.21 0.00 0.00 -0.04 -1.26 -4.53 135.00 134.27 1mr6 n PRO 12 Ca -0.08 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1mr6 n PRO 12 Cb 0.41 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.19 0.00 -3.67 3.54 2.85 -1.26 -5.11 115.26 109.42 1mr6 n ASN 13 Ca 0.04 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.42 1mr6 n ASN 13 Cb 0.33 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.32 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1mr6 s SER 14 N -1.18 -0.04 -0.39 1.20 1.04 -1.26 -5.02 113.70 108.04 1mr6 s SER 14 Ca 0.00 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 55.60 1mr6 s SER 14 Cb 0.00 0.70 0.18 0.00 0.10 0.00 0.00 66.02 67.00 1mr6 s SER 14 CO 0.00 -1.34 0.58 -0.70 0.98 0.00 0.00 173.24 172.77 1mr6 s GLU 15 N -3.57 0.77 -0.24 4.02 2.12 -1.16 -4.97 118.70 115.68 1mr6 s GLU 15 Ca 0.18 -0.30 -0.28 0.00 0.36 0.00 0.00 54.97 54.93 1mr6 s GLU 15 Cb -0.03 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 1mr6 s GLU 15 CO 0.10 -1.18 2.05 0.99 -0.54 0.00 0.00 175.26 176.68 1mr6 s THR 16 N 1.86 3.18 0.91 -1.70 2.01 -1.26 -2.50 115.64 118.14 1mr6 s THR 16 Ca 0.16 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 1mr6 s THR 16 Cb -0.06 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.13 1mr6 s THR 16 CO -0.08 -0.14 -0.26 0.00 -0.69 0.00 0.00 174.62 173.45 1mr6 s PRO 18 N -2.43 3.30 0.00 0.00 0.04 -1.26 -4.60 135.00 130.04 1mr6 s PRO 18 Ca 0.49 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1mr6 s PRO 18 Cb -0.24 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1mr6 s PRO 18 CO 0.74 -0.73 0.00 -0.25 0.04 0.00 0.00 177.00 176.80 1mr6 n ASP 19 N -2.82 0.00 -3.70 6.66 8.00 -1.26 -2.60 116.55 120.83 1mr6 n ASP 19 Ca 0.06 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 1mr6 n ASP 19 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.65 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 0.00 4.53 0.00 0.44 0.00 -1.26 -4.25 105.19 104.66 1mr6 n GLY 20 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 4.98 0.57 0.00 1.61 4.76 -1.07 -4.70 118.16 124.30 1mr6 n LYS 21 Ca 0.53 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1mr6 n LYS 21 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 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 -1.12 0.00 -3.73 4.39 3.02 -1.23 -2.18 115.26 114.41 1mr6 n ASN 22 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 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 -0.13 0.03 0.20 2.41 1.01 0.15 -4.75 121.20 120.11 1mr6 s ILE 23 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1mr6 s ILE 23 Cb 0.00 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1mr6 s ILE 23 CO 0.00 -0.13 0.36 0.00 0.00 0.00 0.00 174.94 175.17 1mr6 s VAL 25 N -1.87 -0.31 -0.22 0.00 -7.23 0.11 -2.80 120.40 108.08 1mr6 s VAL 25 Ca 0.36 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.99 1mr6 s VAL 25 Cb -0.11 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.89 1mr6 s VAL 25 CO 0.29 -0.51 -0.07 -1.59 -0.31 0.00 0.00 175.10 172.92 1mr6 s LYS 26 N 2.29 3.22 0.38 4.82 -2.85 -1.19 -1.67 119.74 124.75 1mr6 s LYS 26 Ca 0.09 -0.72 0.08 0.00 -1.00 0.00 0.00 55.97 54.41 1mr6 s LYS 26 Cb -0.15 -2.93 -0.01 0.00 -2.06 0.00 0.00 37.83 32.68 1mr6 s LYS 26 CO -0.32 -0.24 0.41 -0.98 0.10 0.00 0.00 175.35 174.33 1mr6 s ARG 27 N 1.42 2.74 -0.21 1.78 1.70 -1.04 -1.52 118.95 123.83 1mr6 s ARG 27 Ca 0.05 -1.33 -0.11 0.00 -0.47 0.00 0.00 55.73 53.87 1mr6 s ARG 27 Cb -0.14 -2.56 0.07 0.00 -0.57 0.00 0.00 34.95 31.75 1mr6 s ARG 27 CO -0.05 -0.09 0.49 -1.54 -1.08 0.00 0.00 175.30 173.03 1mr6 s SER 28 N -4.15 -0.63 0.18 -2.89 1.04 -0.10 -2.52 113.70 104.63 1mr6 s SER 28 Ca 0.47 1.09 -0.12 0.00 0.48 0.00 0.00 55.95 57.87 1mr6 s SER 28 Cb -0.06 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1mr6 s SER 28 CO 0.29 -0.21 0.37 -1.66 0.98 0.00 0.00 173.24 173.01 1mr6 s TRP 29 N 1.60 0.24 -1.20 5.02 -2.14 -0.98 -2.71 118.94 118.78 1mr6 s TRP 29 Ca -0.09 -0.60 0.21 0.00 2.66 0.00 0.00 56.10 58.28 1mr6 s TRP 29 Cb -0.08 0.10 -0.18 0.00 -3.10 0.00 0.00 33.47 30.21 1mr6 s TRP 29 CO -0.15 -0.80 0.94 -2.37 -2.66 0.00 0.00 176.95 171.91 1mr6 n THR 30 N -0.27 0.00 -0.18 0.66 5.66 -1.24 0.17 114.28 119.08 1mr6 n THR 30 Ca -0.08 -0.05 -0.17 0.00 -3.05 0.00 0.00 64.05 60.71 1mr6 n THR 30 Cb 0.63 1.04 0.16 0.00 -1.55 0.00 0.00 70.33 70.61 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 -1.22 -2.87 -3.25 1.79 0.00 -1.22 -4.22 120.51 109.51 1mr6 n ALA 31 Ca 0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 1mr6 n ALA 31 Cb 0.36 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.62 -0.01 0.00 0.00 0.11 -1.26 -4.44 120.40 113.18 1mr6 s VAL 32 Ca 0.36 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 1mr6 s VAL 32 Cb -0.06 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1mr6 s VAL 32 CO 0.31 0.01 0.00 0.54 -3.33 0.00 0.00 175.10 172.63 1mr6 n ARG 33 N 3.17 0.00 0.00 1.54 5.12 -1.26 -4.99 116.66 120.24 1mr6 n ARG 33 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1mr6 n ARG 33 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mr6 n GLY 34 N 4.23 -0.92 0.49 -0.13 0.00 -1.26 -4.77 105.19 102.83 1mr6 n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mr6 n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mr6 n ASP 35 N -0.73 0.00 -4.28 1.61 8.00 -1.26 -5.11 116.55 114.78 1mr6 n ASP 35 Ca 0.00 -1.85 -0.28 0.00 0.71 0.00 0.00 54.79 53.37 1mr6 n ASP 35 Cb 0.00 -0.17 0.27 0.00 -0.02 0.00 0.00 41.12 41.20 1mr6 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mr6 n GLY 36 N 0.00 -2.43 0.00 0.44 0.00 -1.26 -5.02 105.19 96.91 1mr6 n GLY 36 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -5.06 0.81 0.00 1.61 -0.04 -1.26 -4.79 135.00 126.26 1mr6 n PRO 37 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1mr6 n PRO 37 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.18 0.00 -2.51 0.54 4.81 -1.26 -4.37 118.16 115.20 1mr6 n LYS 38 Ca 0.00 0.34 -0.40 0.00 -0.87 0.00 0.00 58.31 57.38 1mr6 n LYS 38 Cb 0.00 -1.00 -0.03 0.00 0.02 0.00 0.00 35.03 34.02 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 -1.23 3.53 -0.16 1.64 3.52 -1.25 -3.44 118.95 121.56 1mr6 s ARG 39 Ca 0.00 -1.18 -0.16 0.00 -0.13 0.00 0.00 55.73 54.25 1mr6 s ARG 39 Cb 0.00 -5.36 -0.04 0.00 -1.56 0.00 0.00 34.95 27.99 1mr6 s ARG 39 CO 0.00 -2.36 0.41 -1.83 -0.81 0.00 0.00 175.30 170.70 1mr6 s GLU 40 N 5.08 4.25 0.00 5.12 -1.05 0.13 -4.83 118.70 127.39 1mr6 s GLU 40 Ca 0.50 0.27 0.00 0.00 -0.15 0.00 0.00 54.97 55.59 1mr6 s GLU 40 Cb -0.00 -3.48 0.00 0.00 -0.44 0.00 0.00 34.13 30.21 1mr6 s GLU 40 CO -0.06 0.08 0.00 0.44 0.95 0.00 0.00 175.26 176.67 1mr6 n ILE 41 N 3.96 0.00 -3.68 1.83 -5.35 -1.26 -2.31 119.36 112.55 1mr6 n ILE 41 Ca -0.08 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.39 1mr6 n ILE 41 Cb 0.51 -0.33 -0.01 0.00 -1.74 0.00 0.00 39.64 38.07 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 -0.68 0.75 -0.00 6.28 3.52 -1.05 -4.91 118.95 122.87 1mr6 s ARG 42 Ca 0.00 -0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 55.06 1mr6 s ARG 42 Cb 0.00 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1mr6 s ARG 42 CO 0.00 -0.34 0.27 1.03 -0.81 0.00 0.00 175.30 175.45 1mr6 s ARG 43 N -2.81 0.65 0.12 5.12 3.00 -1.25 -2.48 118.95 121.30 1mr6 s ARG 43 Ca 0.13 -0.30 -0.25 0.00 0.00 0.00 0.00 55.73 55.32 1mr6 s ARG 43 Cb 0.02 0.29 0.08 0.00 0.00 0.00 0.00 34.95 35.34 1mr6 s ARG 43 CO -0.01 -0.18 1.09 -2.00 0.00 0.00 0.00 175.30 174.20 1mr6 s GLU 44 N -1.56 1.02 -0.08 3.54 2.12 -0.67 -4.92 118.70 118.15 1mr6 s GLU 44 Ca -0.12 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.62 1mr6 s GLU 44 Cb -0.05 0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 1mr6 s GLU 44 CO 0.02 -0.47 -0.21 0.00 -0.54 0.00 0.00 175.26 174.06 1mr6 n ALA 46 N 3.07 0.00 0.06 0.00 0.00 -0.40 -4.89 120.51 118.35 1mr6 n ALA 46 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1mr6 n ALA 46 Cb 0.52 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 h ALA 47 N 2.00 0.27 -2.40 0.00 0.00 -1.91 0.43 119.26 117.66 1mr6 h ALA 47 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1mr6 h ALA 47 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mr6 h ALA 47 CO 0.00 1.14 0.00 0.25 0.00 0.00 0.00 179.25 180.64 1mr6 n THR 48 N -3.49 0.00 -3.87 0.00 -2.24 -1.26 -4.61 114.28 98.81 1mr6 n THR 48 Ca -0.22 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 1mr6 n THR 48 Cb 1.06 -0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -3.07 -2.68 -0.86 0.00 0.04 -1.26 -4.79 135.00 122.37 1mr6 s PRO 50 Ca 0.16 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.00 1mr6 s PRO 50 Cb -0.04 -1.41 -0.05 0.00 0.04 0.00 0.00 34.50 33.03 1mr6 s PRO 50 CO 0.11 -4.69 1.95 -1.25 0.04 0.00 0.00 177.00 173.15 1mr6 s PRO 51 N -5.19 2.55 0.15 0.56 0.04 -1.26 -4.91 135.00 126.93 1mr6 s PRO 51 Ca 0.69 -0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.61 1mr6 s PRO 51 Cb -0.12 -4.97 -0.05 0.00 0.04 0.00 0.00 34.50 29.41 1mr6 s PRO 51 CO 0.57 -3.31 -0.06 -1.12 0.04 0.00 0.00 177.00 173.11 1mr6 s SER 52 N 8.11 1.57 0.00 6.66 0.01 -1.26 -5.02 113.70 123.77 1mr6 s SER 52 Ca 0.70 -1.07 0.23 0.00 1.31 0.00 0.00 55.95 57.12 1mr6 s SER 52 Cb -0.08 0.04 0.26 0.00 0.21 0.00 0.00 66.02 66.45 1mr6 s SER 52 CO 0.02 -0.42 1.28 1.17 0.41 0.00 0.00 173.24 175.70 1mr6 n LYS 53 N -0.21 2.28 0.00 12.44 0.00 -1.26 -4.92 118.16 126.49 1mr6 n LYS 53 Ca -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 58.31 56.22 1mr6 n LYS 53 Cb 0.62 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.19 1mr6 n LYS 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1mr6 n LEU 54 N 1.34 0.00 0.21 3.14 7.94 -1.26 -4.78 117.00 123.59 1mr6 n LEU 54 Ca 0.15 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.20 1mr6 n LEU 54 Cb 0.58 0.00 0.79 0.00 0.53 0.00 0.00 43.42 45.32 1mr6 n LEU 54 CO 0.15 0.00 1.13 1.23 -1.11 0.00 0.00 177.39 178.79 1mr6 h GLY 55 N 0.00 0.00 0.00 -3.96 0.00 -2.02 -3.39 103.07 93.69 1mr6 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mr6 h GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1mr6 n LEU 56 N -4.06 0.00 -3.85 3.11 0.00 -1.26 -5.04 117.00 105.90 1mr6 n LEU 56 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.72 1mr6 n LEU 56 Cb 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.54 1mr6 n LEU 56 CO 0.30 0.00 -0.24 -0.89 0.00 0.00 0.00 177.39 176.56 1mr6 s THR 57 N 1.64 1.93 0.17 1.96 2.01 -1.10 -4.98 115.64 117.28 1mr6 s THR 57 Ca 0.00 -2.74 -0.02 0.00 0.31 0.00 0.00 61.69 59.24 1mr6 s THR 57 Cb 0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 1mr6 s THR 57 CO 0.00 -0.80 0.37 -0.69 -0.69 0.00 0.00 174.62 172.81 1mr6 s VAL 58 N 0.27 5.21 -0.37 3.82 1.01 -1.26 -0.92 120.40 128.15 1mr6 s VAL 58 Ca 0.16 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1mr6 s VAL 58 Cb -0.24 -3.69 0.15 0.00 0.00 0.00 0.00 36.38 32.60 1mr6 s VAL 58 CO -0.03 -0.08 0.28 0.12 0.00 0.00 0.00 175.10 175.40 1mr6 s PHE 59 N -1.77 0.38 0.09 5.22 5.36 -0.57 -4.96 117.98 121.73 1mr6 s PHE 59 Ca 0.39 -1.42 -0.25 0.00 -0.96 0.00 0.00 56.93 54.69 1mr6 s PHE 59 Cb -0.12 -0.72 -0.06 0.00 -0.34 0.00 0.00 43.02 41.78 1mr6 s PHE 59 CO 0.28 -0.88 0.77 0.00 -1.46 0.00 0.00 175.22 173.92 1mr6 n THR 62 N 0.88 0.11 -3.54 0.00 -2.24 -1.26 -2.74 114.28 105.49 1mr6 n THR 62 Ca -0.18 -4.26 -0.11 0.00 -2.27 0.00 0.00 64.05 57.23 1mr6 n THR 62 Cb 0.55 -1.96 -0.04 0.00 -2.10 0.00 0.00 70.33 66.78 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 -1.31 0.00 -0.37 4.28 2.01 -1.26 -5.09 115.64 113.91 1mr6 s THR 63 Ca 0.35 0.00 -0.44 0.00 0.31 0.00 0.00 61.69 61.91 1mr6 s THR 63 Cb 0.13 -1.00 -0.18 0.00 0.01 0.00 0.00 72.50 71.45 1mr6 s THR 63 CO -0.11 0.00 1.61 -0.90 -0.69 0.00 0.00 174.62 174.53 1mr6 n ASP 64 N 0.33 1.56 -1.65 3.53 5.75 -1.22 -3.00 116.55 121.85 1mr6 n ASP 64 Ca -0.11 1.14 -0.04 0.00 -0.01 0.00 0.00 54.79 55.77 1mr6 n ASP 64 Cb 0.60 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1mr6 n ASP 64 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1mr6 n ASN 65 N 4.28 -2.41 -3.33 -1.12 3.02 0.14 -4.86 115.26 110.98 1mr6 n ASN 65 Ca 0.28 0.10 -0.26 0.00 -0.03 0.00 0.00 54.58 54.67 1mr6 n ASN 65 Cb 0.02 -0.61 -0.09 0.00 -0.61 0.00 0.00 39.78 38.50 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 1.95 -0.30 0.00 0.00 4.13 -1.26 -4.64 115.26 115.14 1mr6 n ASN 67 Ca 0.25 -1.31 0.09 0.00 1.68 0.00 0.00 54.58 55.29 1mr6 n ASN 67 Cb 0.49 0.09 0.56 0.00 -1.54 0.00 0.00 39.78 39.38 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54