#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml0 s VAL 9 N 0.00 5.18 0.07 0.00 1.01 -1.26 -5.07 120.40 120.33 1ml0 s VAL 9 Ca 0.00 0.95 0.09 0.00 0.00 0.00 0.00 61.98 63.02 1ml0 s VAL 9 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ml0 s VAL 9 CO 0.00 0.34 -0.24 0.42 0.00 0.00 0.00 175.10 175.62 1ml0 s THR 10 N 0.56 1.96 0.35 3.92 -4.23 -1.26 -5.12 115.64 111.82 1ml0 s THR 10 Ca 0.26 -1.44 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1ml0 s THR 10 Cb -0.15 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 1ml0 s THR 10 CO 0.10 0.19 0.09 0.00 -0.54 0.00 0.00 174.62 174.46 1ml0 n TYR 13 N 3.61 0.00 -3.74 0.00 4.02 -1.26 -4.28 117.16 115.50 1ml0 n TYR 13 Ca -0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.59 1ml0 n TYR 13 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 1ml0 n TYR 13 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1ml0 s ASN 14 N -1.22 -0.37 0.05 7.72 0.01 -1.26 -5.11 114.94 114.76 1ml0 s ASN 14 Ca 0.02 0.68 0.02 0.00 -0.71 0.00 0.00 52.86 52.87 1ml0 s ASN 14 Cb 0.03 0.71 -0.04 0.00 0.41 0.00 0.00 41.25 42.36 1ml0 s ASN 14 CO 0.13 -0.17 0.05 -0.36 -1.51 0.00 0.00 177.10 175.24 1ml0 s PHE 15 N 0.01 3.16 0.13 2.20 0.08 -1.26 -4.63 117.98 117.68 1ml0 s PHE 15 Ca -0.02 0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.82 1ml0 s PHE 15 Cb -0.03 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.72 1ml0 s PHE 15 CO 0.01 0.51 1.05 -0.08 -0.10 0.00 0.00 175.22 176.61 1ml0 s THR 16 N -1.28 4.18 -2.62 0.64 -1.32 -0.15 -4.88 115.64 110.21 1ml0 s THR 16 Ca 0.26 1.79 0.24 0.00 -1.21 0.00 0.00 61.69 62.78 1ml0 s THR 16 Cb -0.12 -4.15 0.39 0.00 -1.51 0.00 0.00 72.50 67.12 1ml0 s THR 16 CO 0.18 0.27 1.48 0.59 -2.21 0.00 0.00 174.62 174.93 1ml0 n ASN 17 N 2.79 2.39 -4.62 8.08 3.02 -1.26 -4.67 115.26 120.99 1ml0 n ASN 17 Ca 0.03 -1.80 -0.36 0.00 -0.03 0.00 0.00 54.58 52.43 1ml0 n ASN 17 Cb 0.48 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.48 1ml0 n ASN 17 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ml0 s ARG 18 N -1.87 3.97 0.70 3.52 0.52 -1.26 -5.09 118.95 119.45 1ml0 s ARG 18 Ca 0.34 -0.33 -0.14 0.00 -0.52 0.00 0.00 55.73 55.08 1ml0 s ARG 18 Cb 0.20 -3.36 0.02 0.00 0.52 0.00 0.00 34.95 32.34 1ml0 s ARG 18 CO 0.31 0.13 1.13 0.21 0.02 0.00 0.00 175.30 177.09 1ml0 s LYS 19 N 0.81 2.48 -0.03 3.54 2.20 -1.26 -5.05 119.74 122.44 1ml0 s LYS 19 Ca 0.05 1.44 0.07 0.00 -0.36 0.00 0.00 55.97 57.18 1ml0 s LYS 19 Cb -0.13 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.26 1ml0 s LYS 19 CO 0.02 -1.51 -0.24 0.42 -0.36 0.00 0.00 175.35 173.69 1ml0 s ILE 20 N -2.37 2.23 0.04 5.43 1.01 -1.26 -5.08 121.20 121.21 1ml0 s ILE 20 Ca 0.68 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 1ml0 s ILE 20 Cb -0.22 -1.79 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 1ml0 s ILE 20 CO 0.45 0.58 1.82 -0.55 0.00 0.00 0.00 174.94 177.25 1ml0 s SER 21 N -0.61 6.51 0.16 3.58 0.15 -1.26 -4.80 113.70 117.43 1ml0 s SER 21 Ca 0.10 2.57 0.08 0.00 0.70 0.00 0.00 55.95 59.40 1ml0 s SER 21 Cb -0.10 -2.54 0.44 0.00 -1.71 0.00 0.00 66.02 62.10 1ml0 s SER 21 CO -0.01 -0.99 1.16 1.33 1.20 0.00 0.00 173.24 175.93 1ml0 n VAL 22 N 5.23 1.18 1.65 4.45 0.24 -1.26 0.31 118.33 130.13 1ml0 n VAL 22 Ca 0.18 0.62 0.15 0.00 -2.04 0.00 0.00 64.34 63.25 1ml0 n VAL 22 Cb 0.41 -1.62 0.78 0.00 -1.47 0.00 0.00 33.84 31.94 1ml0 n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ml0 n GLN 23 N -1.75 0.79 0.00 7.34 1.13 -1.26 -3.48 117.38 120.15 1ml0 n GLN 23 Ca -0.01 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1ml0 n GLN 23 Cb 0.16 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1ml0 n GLN 23 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ml0 n ARG 24 N -1.00 1.89 -3.50 -1.09 1.74 0.15 -4.95 116.66 109.90 1ml0 n ARG 24 Ca 0.18 -1.13 -0.42 0.00 -0.77 0.00 0.00 57.85 55.71 1ml0 n ARG 24 Cb 0.21 -0.83 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 1ml0 n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ml0 s LEU 25 N -0.64 5.30 0.00 0.55 1.43 -1.22 -0.92 118.68 123.19 1ml0 s LEU 25 Ca 0.00 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1ml0 s LEU 25 Cb 0.00 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1ml0 s LEU 25 CO 0.00 -0.56 0.21 0.00 0.23 0.00 0.00 176.35 176.23 1ml0 n ALA 26 N 5.06 0.00 -3.55 4.21 0.00 0.23 -4.83 120.51 121.64 1ml0 n ALA 26 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ml0 n ALA 26 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1ml0 n ALA 26 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ml0 n SER 27 N -0.34 1.41 -3.64 0.00 3.41 -0.90 -4.95 113.62 108.61 1ml0 n SER 27 Ca 0.00 -0.85 -0.05 0.00 -0.26 0.00 0.00 58.87 57.71 1ml0 n SER 27 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ml0 n SER 27 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1ml0 s TYR 28 N -0.15 -0.36 0.24 7.33 -0.85 -1.26 -0.98 117.35 121.33 1ml0 s TYR 28 Ca 0.00 0.82 0.03 0.00 -0.52 0.00 0.00 57.07 57.40 1ml0 s TYR 28 Cb 0.00 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 1ml0 s TYR 28 CO 0.00 -0.17 0.03 -0.98 -1.52 0.00 0.00 175.55 172.91 1ml0 s ARG 29 N 0.47 1.37 0.05 -3.49 1.70 -0.33 -4.97 118.95 113.74 1ml0 s ARG 29 Ca 0.01 -1.71 0.02 0.00 -0.47 0.00 0.00 55.73 53.58 1ml0 s ARG 29 Cb -0.05 -0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1ml0 s ARG 29 CO -0.11 -0.16 0.06 1.03 -1.08 0.00 0.00 175.30 175.05 1ml0 s ARG 30 N -3.92 2.89 0.19 3.89 0.52 -1.26 0.16 118.95 121.43 1ml0 s ARG 30 Ca 0.31 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 1ml0 s ARG 30 Cb 0.07 -2.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 1ml0 s ARG 30 CO 0.10 0.59 1.21 0.42 0.02 0.00 0.00 175.30 177.65 1ml0 s ILE 31 N -1.30 3.50 0.00 1.52 -1.09 0.65 -4.87 121.20 119.60 1ml0 s ILE 31 Ca 0.26 1.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 1ml0 s ILE 31 Cb -0.12 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1ml0 s ILE 31 CO 0.18 0.21 0.00 0.35 -1.23 0.00 0.00 174.94 174.45 1ml0 n THR 32 N 2.43 0.00 -1.73 2.92 -2.24 -1.26 -4.69 114.28 109.71 1ml0 n THR 32 Ca 0.04 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 1ml0 n THR 32 Cb 0.44 0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.82 1ml0 n THR 32 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ml0 n SER 33 N -0.49 2.61 0.16 3.42 2.88 -1.26 -4.91 113.62 116.03 1ml0 n SER 33 Ca 0.00 1.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.67 1ml0 n SER 33 Cb 0.01 -1.56 0.24 0.00 -0.75 0.00 0.00 64.21 62.16 1ml0 n SER 33 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ml0 h SER 34 N 1.58 0.00 0.47 -3.46 4.64 -2.03 -3.12 113.55 111.63 1ml0 h SER 34 Ca -0.50 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1ml0 h SER 34 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ml0 h SER 34 CO 0.58 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.83 1ml0 n LYS 35 N -2.69 0.36 -3.77 4.77 5.02 -1.26 -4.75 118.16 115.84 1ml0 n LYS 35 Ca 0.04 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 56.01 1ml0 n LYS 35 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1ml0 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ml0 h PRO 37 N 4.58 0.00 -6.66 0.00 0.13 -1.87 -3.48 132.00 124.70 1ml0 h PRO 37 Ca -0.53 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.91 1ml0 h PRO 37 Cb 1.22 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 1ml0 h PRO 37 CO 0.62 0.34 -0.87 0.15 -0.23 0.00 0.00 178.00 178.01 1ml0 s LYS 38 N -2.91 1.96 -0.12 0.86 1.02 -1.26 -5.08 119.74 114.20 1ml0 s LYS 38 Ca -0.02 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.66 1ml0 s LYS 38 Cb 0.09 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1ml0 s LYS 38 CO 0.80 0.54 1.21 -2.00 -0.92 0.00 0.00 175.35 174.98 1ml0 s GLU 39 N -1.08 4.29 0.01 1.68 2.12 -1.26 -4.78 118.70 119.68 1ml0 s GLU 39 Ca 0.12 1.64 -0.12 0.00 0.36 0.00 0.00 54.97 56.96 1ml0 s GLU 39 Cb -0.10 -3.67 0.02 0.00 0.26 0.00 0.00 34.13 30.64 1ml0 s GLU 39 CO 0.02 -0.59 0.26 0.00 -0.54 0.00 0.00 175.26 174.41 1ml0 s ALA 40 N 2.92 -0.61 -0.24 6.30 0.00 -1.26 -4.77 121.76 124.10 1ml0 s ALA 40 Ca 0.54 0.08 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 1ml0 s ALA 40 Cb -0.22 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1ml0 s ALA 40 CO 0.17 -0.30 0.10 0.08 0.00 0.00 0.00 175.76 175.81 1ml0 s VAL 41 N -1.80 4.70 -0.33 0.00 1.01 -1.01 -0.26 120.40 122.70 1ml0 s VAL 41 Ca -0.11 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1ml0 s VAL 41 Cb -0.04 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1ml0 s VAL 41 CO 0.01 0.34 0.19 -0.63 0.00 0.00 0.00 175.10 175.00 1ml0 s ILE 42 N 1.40 4.80 -0.02 2.22 1.01 0.12 -1.08 121.20 129.65 1ml0 s ILE 42 Ca 0.06 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 1ml0 s ILE 42 Cb -0.15 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1ml0 s ILE 42 CO 0.05 -0.00 0.55 -0.36 0.00 0.00 0.00 174.94 175.18 1ml0 s PHE 43 N 1.64 3.67 -0.19 3.97 0.08 -0.49 -1.19 117.98 125.46 1ml0 s PHE 43 Ca 0.05 1.13 -0.05 0.00 0.12 0.00 0.00 56.93 58.18 1ml0 s PHE 43 Cb -0.17 -2.56 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1ml0 s PHE 43 CO 0.08 0.36 -0.00 0.21 -0.10 0.00 0.00 175.22 175.76 1ml0 s LYS 44 N -0.20 3.67 0.90 0.44 2.20 -0.15 -0.68 119.74 125.91 1ml0 s LYS 44 Ca 0.29 -0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 55.27 1ml0 s LYS 44 Cb -0.18 -3.05 0.20 0.00 -1.51 0.00 0.00 37.83 33.30 1ml0 s LYS 44 CO 0.16 0.10 1.22 0.25 -0.36 0.00 0.00 175.35 176.72 1ml0 n THR 45 N 3.98 0.00 0.83 3.43 -2.24 0.20 0.76 114.28 121.23 1ml0 n THR 45 Ca -0.17 -1.09 0.12 0.00 -2.27 0.00 0.00 64.05 60.64 1ml0 n THR 45 Cb 0.52 -1.38 0.52 0.00 -2.10 0.00 0.00 70.33 67.89 1ml0 n THR 45 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1ml0 n ILE 46 N -3.57 0.33 -0.96 2.28 -5.35 -0.09 -2.22 119.36 109.77 1ml0 n ILE 46 Ca 0.16 0.06 0.07 0.00 -0.27 0.00 0.00 62.75 62.77 1ml0 n ILE 46 Cb 0.56 -0.66 0.35 0.00 -1.74 0.00 0.00 39.64 38.15 1ml0 n ILE 46 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1ml0 n VAL 47 N -1.56 2.61 -2.23 7.28 0.31 -1.26 -4.94 118.33 118.54 1ml0 n VAL 47 Ca 0.06 -1.62 -0.19 0.00 -0.01 0.00 0.00 64.34 62.58 1ml0 n VAL 47 Cb 0.30 -0.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.93 1ml0 n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ml0 n ALA 48 N 0.14 -0.52 -2.73 3.52 0.00 -0.94 -5.00 120.51 114.97 1ml0 n ALA 48 Ca 0.26 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 1ml0 n ALA 48 Cb 1.10 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 1ml0 n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ml0 s LYS 49 N -4.74 3.09 0.04 0.00 1.02 -1.26 -4.83 119.74 113.07 1ml0 s LYS 49 Ca 0.00 -0.53 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 1ml0 s LYS 49 Cb 0.00 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1ml0 s LYS 49 CO 0.00 0.52 0.28 -1.21 -0.92 0.00 0.00 175.35 174.02 1ml0 s GLU 50 N -0.41 3.57 -0.03 1.68 2.02 -1.25 0.60 118.70 124.88 1ml0 s GLU 50 Ca 0.06 -0.14 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 1ml0 s GLU 50 Cb -0.12 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.09 1ml0 s GLU 50 CO 0.02 0.60 0.07 0.42 0.02 0.00 0.00 175.26 176.40 1ml0 s ILE 51 N -1.41 -0.00 0.04 -1.63 1.09 0.14 -4.96 121.20 114.48 1ml0 s ILE 51 Ca 0.31 0.00 -0.30 0.00 -1.10 0.00 0.00 60.65 59.57 1ml0 s ILE 51 Cb -0.13 -0.11 -0.04 0.00 -1.06 0.00 0.00 42.46 41.12 1ml0 s ILE 51 CO 0.20 0.00 0.98 0.00 -0.10 0.00 0.00 174.94 176.02 1ml0 s ALA 53 N 0.63 1.70 -0.25 0.00 0.00 -0.24 -0.98 121.76 122.61 1ml0 s ALA 53 Ca 0.50 -1.76 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1ml0 s ALA 53 Cb -0.22 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1ml0 s ALA 53 CO 0.29 -0.32 0.05 0.34 0.00 0.00 0.00 175.76 176.11 1ml0 s ASP 54 N -3.28 4.95 0.25 0.00 -1.08 -1.26 -2.41 116.67 113.84 1ml0 s ASP 54 Ca 0.30 -0.36 -0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1ml0 s ASP 54 Cb 0.06 -1.87 0.44 0.00 -1.46 0.00 0.00 42.92 40.09 1ml0 s ASP 54 CO 0.09 -0.07 1.81 -0.65 0.52 0.00 0.00 175.17 176.88 1ml0 h PRO 55 N 8.21 0.81 -0.94 4.34 0.11 -1.94 -1.76 132.00 140.83 1ml0 h PRO 55 Ca -0.37 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.86 1ml0 h PRO 55 Cb 1.16 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.01 1ml0 h PRO 55 CO 0.59 0.54 0.60 0.87 -0.21 0.00 0.00 178.00 180.39 1ml0 h LYS 56 N 0.83 0.66 -6.71 1.05 1.57 -1.97 -3.41 116.57 108.60 1ml0 h LYS 56 Ca 0.42 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.64 1ml0 h LYS 56 Cb 0.40 -0.15 0.05 0.00 0.08 0.00 0.00 32.23 32.62 1ml0 h LYS 56 CO -0.26 0.44 0.80 -0.65 -0.57 0.00 0.00 179.45 179.21 1ml0 s GLN 57 N -5.70 4.25 0.22 3.15 -0.21 -0.66 -4.95 119.66 115.75 1ml0 s GLN 57 Ca -0.10 2.33 -0.08 0.00 0.02 0.00 0.00 55.36 57.52 1ml0 s GLN 57 Cb 0.23 -3.12 0.19 0.00 1.00 0.00 0.00 33.01 31.31 1ml0 s GLN 57 CO 0.79 -0.48 1.86 -0.22 -2.12 0.00 0.00 175.29 175.13 1ml0 h LYS 58 N 5.49 1.14 -0.02 2.91 3.64 -1.87 -2.46 116.57 125.41 1ml0 h LYS 58 Ca -0.45 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 58.78 1ml0 h LYS 58 Cb 1.21 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1ml0 h LYS 58 CO 0.81 0.81 -0.21 0.11 -2.27 0.00 0.00 179.45 178.70 1ml0 h TRP 59 N 1.15 0.03 -0.05 1.91 5.08 -1.93 0.20 115.95 122.34 1ml0 h TRP 59 Ca 0.30 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.24 1ml0 h TRP 59 Cb -0.04 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.11 1ml0 h TRP 59 CO -0.00 0.23 -0.06 0.28 -1.28 0.00 0.00 178.44 177.61 1ml0 h VAL 60 N 0.03 1.39 0.42 0.12 2.07 -1.76 -0.99 116.25 117.53 1ml0 h VAL 60 Ca 0.00 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1ml0 h VAL 60 Cb 0.38 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1ml0 h VAL 60 CO 0.03 0.34 -0.24 1.56 0.02 0.00 0.00 177.57 179.29 1ml0 h GLN 61 N -0.35 -0.59 -0.90 1.57 1.08 -0.98 -2.18 115.11 112.77 1ml0 h GLN 61 Ca 0.01 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.31 1ml0 h GLN 61 Cb 0.59 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 28.09 1ml0 h GLN 61 CO 0.01 -0.40 0.56 -0.44 -0.95 0.00 0.00 178.83 177.62 1ml0 h ASP 62 N -0.62 0.89 0.20 1.46 3.32 -0.68 0.30 116.42 121.29 1ml0 h ASP 62 Ca -0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ml0 h ASP 62 Cb 0.49 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ml0 h ASP 62 CO 0.07 0.57 0.00 0.28 -1.72 0.00 0.00 179.24 178.43 1ml0 h SER 63 N 1.02 0.00 0.80 6.45 0.02 -0.90 -0.14 113.55 120.80 1ml0 h SER 63 Ca 0.39 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.16 1ml0 h SER 63 Cb 0.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1ml0 h SER 63 CO -0.18 0.00 -1.30 0.40 -1.14 0.00 0.00 176.83 174.61 1ml0 h ILE 64 N 0.00 0.66 0.00 3.27 2.04 0.20 -2.99 117.51 120.70 1ml0 h ILE 64 Ca 0.00 -2.20 -0.10 0.00 1.00 0.00 0.00 64.86 63.55 1ml0 h ILE 64 Cb 0.10 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1ml0 h ILE 64 CO 0.00 0.38 -0.50 0.44 0.00 0.00 0.00 178.15 178.47 1ml0 h ASP 65 N 0.00 0.00 0.00 1.72 3.32 -0.24 -2.47 116.42 118.75 1ml0 h ASP 65 Ca -0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ml0 h ASP 65 Cb 1.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1ml0 h ASP 65 CO 0.06 0.50 -0.00 -0.74 -1.72 0.00 0.00 179.24 177.33 1ml0 h HIS 66 N 0.00 -0.00 0.00 4.55 2.76 -1.54 -2.21 115.15 118.72 1ml0 h HIS 66 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1ml0 h HIS 66 Cb 1.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.28 1ml0 h HIS 66 CO 0.00 0.85 0.01 -0.07 -1.30 0.00 0.00 177.93 177.42 1ml0 h LEU 67 N -1.00 0.00 0.04 0.26 3.38 -1.55 -2.73 115.31 113.72 1ml0 h LEU 67 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1ml0 h LEU 67 Cb 0.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1ml0 h LEU 67 CO 0.00 0.00 -1.76 0.47 0.09 0.00 0.00 178.44 177.24 1ml0 n ASP 68 N -3.06 1.97 -0.83 -0.43 9.92 -0.93 -4.23 116.55 118.95 1ml0 n ASP 68 Ca -0.03 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1ml0 n ASP 68 Cb 0.08 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 1ml0 n ASP 68 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ml0 n LYS 69 N -4.02 0.95 0.00 -1.24 5.02 -0.83 -2.60 118.16 115.43 1ml0 n LYS 69 Ca -0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 1ml0 n LYS 69 Cb 0.85 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 1ml0 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ml0 n GLN 70 N 0.36 0.24 0.00 1.97 10.64 -1.16 -5.02 117.38 124.41 1ml0 n GLN 70 Ca 0.00 -0.61 0.00 0.00 -1.83 0.00 0.00 57.00 54.56 1ml0 n GLN 70 Cb 0.39 -0.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.94 1ml0 n GLN 70 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48