#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifd n ASN 6 N 0.00 3.52 -4.76 4.38 3.02 -1.26 -4.95 115.26 115.21 3ifd n ASN 6 Ca 0.00 -2.46 -0.40 0.00 -0.03 0.00 0.00 54.58 51.68 3ifd n ASN 6 Cb 0.00 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.74 3ifd n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ifd s ALA 7 N -1.83 3.44 0.71 5.41 0.00 -1.26 -5.03 121.76 123.21 3ifd s ALA 7 Ca 0.34 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 3ifd s ALA 7 Cb 0.23 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 20.01 3ifd s ALA 7 CO 0.14 -0.32 1.16 -1.25 0.00 0.00 0.00 175.76 175.49 3ifd s PRO 8 N -1.53 2.33 -0.30 0.00 0.04 -1.26 -5.03 135.00 129.25 3ifd s PRO 8 Ca 0.46 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 63.02 3ifd s PRO 8 Cb -0.34 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.33 3ifd s PRO 8 CO 0.45 -1.65 0.09 0.54 0.04 0.00 0.00 177.00 176.47 3ifd s VAL 9 N -2.19 4.02 -0.18 -0.36 0.11 -1.26 -5.09 120.40 115.45 3ifd s VAL 9 Ca 0.71 -0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 3ifd s VAL 9 Cb -0.25 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 3ifd s VAL 9 CO 0.45 0.05 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.37 3ifd s THR 10 N 1.50 4.03 0.14 5.04 2.01 -1.26 -5.11 115.64 121.99 3ifd s THR 10 Ca 0.02 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3ifd s THR 10 Cb -0.17 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 3ifd s THR 10 CO 0.03 0.46 -0.09 0.00 -0.69 0.00 0.00 174.62 174.32 3ifd n TYR 13 N 3.23 0.00 -4.08 0.00 4.02 -1.26 -4.71 117.16 114.36 3ifd n TYR 13 Ca -0.18 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.64 3ifd n TYR 13 Cb 0.53 -0.07 -0.10 0.00 -0.02 0.00 0.00 39.34 39.67 3ifd n TYR 13 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3ifd s ASN 14 N -2.24 0.48 -0.03 7.72 2.47 -1.26 -5.15 114.94 116.92 3ifd s ASN 14 Ca 0.01 -0.99 0.07 0.00 0.42 0.00 0.00 52.86 52.36 3ifd s ASN 14 Cb 0.06 0.21 -0.02 0.00 -1.45 0.00 0.00 41.25 40.04 3ifd s ASN 14 CO 0.35 -0.61 -0.22 -0.36 -3.72 0.00 0.00 177.10 172.54 3ifd s PHE 15 N -3.92 2.45 0.50 0.43 2.99 -1.26 -4.66 117.98 114.51 3ifd s PHE 15 Ca 0.07 -0.38 -0.22 0.00 0.00 0.00 0.00 56.93 56.40 3ifd s PHE 15 Cb 0.08 -1.55 -0.08 0.00 0.00 0.00 0.00 43.02 41.47 3ifd s PHE 15 CO -0.10 0.01 1.04 -2.37 -0.00 0.00 0.00 175.22 173.80 3ifd n THR 16 N 2.45 2.98 0.30 0.64 5.66 0.91 -4.94 114.28 122.28 3ifd n THR 16 Ca -0.16 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.43 3ifd n THR 16 Cb 0.51 -1.23 0.16 0.00 -1.55 0.00 0.00 70.33 68.22 3ifd n THR 16 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3ifd n ASN 17 N -0.08 3.01 -4.34 1.09 3.02 -1.26 -4.77 115.26 111.93 3ifd n ASN 17 Ca 0.11 -1.88 -0.27 0.00 -0.03 0.00 0.00 54.58 52.51 3ifd n ASN 17 Cb 0.43 -0.17 -0.13 0.00 -0.61 0.00 0.00 39.78 39.30 3ifd n ASN 17 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3ifd s ARG 18 N -1.32 1.27 -0.12 3.52 3.52 -1.26 -5.11 118.95 119.46 3ifd s ARG 18 Ca 0.30 -1.25 -0.30 0.00 -0.13 0.00 0.00 55.73 54.35 3ifd s ARG 18 Cb 0.18 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.90 3ifd s ARG 18 CO 0.25 0.39 1.03 0.21 -0.81 0.00 0.00 175.30 176.37 3ifd s LYS 19 N -1.96 4.39 -0.14 5.12 2.20 -1.26 -5.03 119.74 123.05 3ifd s LYS 19 Ca 0.10 1.42 -0.23 0.00 -0.36 0.00 0.00 55.97 56.90 3ifd s LYS 19 Cb -0.10 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3ifd s LYS 19 CO 0.05 -0.37 0.73 0.42 -0.36 0.00 0.00 175.35 175.82 3ifd s ILE 20 N 2.19 4.97 0.14 5.43 1.01 -1.26 -5.03 121.20 128.66 3ifd s ILE 20 Ca 0.49 1.45 -0.35 0.00 0.00 0.00 0.00 60.65 62.24 3ifd s ILE 20 Cb -0.19 -4.05 -0.15 0.00 0.01 0.00 0.00 42.46 38.08 3ifd s ILE 20 CO 0.17 0.12 1.37 -1.20 0.00 0.00 0.00 174.94 175.40 3ifd n SER 21 N 4.71 2.06 0.32 3.58 7.64 -1.26 -4.84 113.62 125.83 3ifd n SER 21 Ca 0.01 1.12 0.16 0.00 1.01 0.00 0.00 58.87 61.17 3ifd n SER 21 Cb 0.50 -1.28 0.85 0.00 -1.01 0.00 0.00 64.21 63.27 3ifd n SER 21 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3ifd h VAL 22 N 3.23 0.00 0.00 0.44 -1.51 -1.95 0.33 116.25 116.79 3ifd h VAL 22 Ca -0.46 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.89 3ifd h VAL 22 Cb 1.31 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.14 3ifd h VAL 22 CO 0.79 0.00 -0.58 1.56 -1.23 0.00 0.00 177.57 178.11 3ifd h GLN 23 N 0.00 0.00 -0.00 5.19 7.50 -2.04 -3.19 115.11 122.57 3ifd h GLN 23 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3ifd h GLN 23 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 3ifd h GLN 23 CO 0.00 0.58 -0.32 0.54 -1.50 0.00 0.00 178.83 178.13 3ifd n ARG 24 N -3.63 0.49 -3.67 1.46 1.74 0.10 -4.86 116.66 108.30 3ifd n ARG 24 Ca -0.01 -0.27 -0.36 0.00 -0.77 0.00 0.00 57.85 56.44 3ifd n ARG 24 Cb 0.62 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 3ifd n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ifd s LEU 25 N -2.69 4.30 -0.21 0.55 1.43 -1.21 0.83 118.68 121.69 3ifd s LEU 25 Ca 0.20 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.64 3ifd s LEU 25 Cb 0.19 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 3ifd s LEU 25 CO 0.58 0.23 -0.32 0.00 0.23 0.00 0.00 176.35 177.07 3ifd n ALA 26 N 2.92 1.26 -3.56 4.21 0.00 0.54 -4.70 120.51 121.19 3ifd n ALA 26 Ca -0.15 -0.88 -0.08 0.00 0.00 0.00 0.00 53.44 52.32 3ifd n ALA 26 Cb 0.53 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 3ifd n ALA 26 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ifd n SER 27 N -4.23 -0.57 -3.75 0.00 3.41 -1.05 -5.00 113.62 102.43 3ifd n SER 27 Ca -0.33 -2.00 -0.10 0.00 -0.26 0.00 0.00 58.87 56.18 3ifd n SER 27 Cb 0.68 1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 65.70 3ifd n SER 27 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3ifd s TYR 28 N -3.51 -0.02 0.08 7.33 -0.85 -1.26 -0.54 117.35 118.57 3ifd s TYR 28 Ca 0.16 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 3ifd s TYR 28 Cb 0.00 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 3ifd s TYR 28 CO 0.12 -0.73 -0.05 -0.98 -1.52 0.00 0.00 175.55 172.38 3ifd s ARG 29 N -3.86 0.73 -0.04 -3.49 1.70 -0.64 -4.98 118.95 108.36 3ifd s ARG 29 Ca 0.07 -1.27 -0.11 0.00 -0.47 0.00 0.00 55.73 53.95 3ifd s ARG 29 Cb 0.02 -0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 3ifd s ARG 29 CO -0.07 -0.06 0.30 1.03 -1.08 0.00 0.00 175.30 175.41 3ifd s ARG 30 N -3.84 3.71 -0.25 3.89 0.52 -1.26 -0.71 118.95 121.01 3ifd s ARG 30 Ca 0.09 0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 55.35 3ifd s ARG 30 Cb 0.06 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3ifd s ARG 30 CO -0.07 0.72 0.22 0.42 0.02 0.00 0.00 175.30 176.61 3ifd s ILE 31 N -1.09 5.30 0.00 1.52 -1.09 0.36 -4.93 121.20 121.26 3ifd s ILE 31 Ca 0.21 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 3ifd s ILE 31 Cb -0.15 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 3ifd s ILE 31 CO 0.10 0.28 0.11 0.35 -1.23 0.00 0.00 174.94 174.55 3ifd n THR 32 N 4.63 0.00 -1.70 2.92 -2.24 -1.26 -1.57 114.28 115.06 3ifd n THR 32 Ca -0.13 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 3ifd n THR 32 Cb 0.52 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3ifd n THR 32 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ifd n SER 33 N -0.53 2.64 0.00 3.42 2.88 -1.26 -4.89 113.62 115.88 3ifd n SER 33 Ca 0.00 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 3ifd n SER 33 Cb 0.02 -1.49 0.61 0.00 -0.75 0.00 0.00 64.21 62.59 3ifd n SER 33 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3ifd n SER 34 N 0.44 0.00 0.25 -3.46 3.41 -1.26 -2.65 113.62 110.36 3ifd n SER 34 Ca 0.06 0.02 0.15 0.00 -0.26 0.00 0.00 58.87 58.84 3ifd n SER 34 Cb 0.38 -0.32 0.49 0.00 -0.26 0.00 0.00 64.21 64.50 3ifd n SER 34 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ifd h LYS 35 N 0.00 0.00 -6.37 4.33 1.57 -1.99 -3.45 116.57 110.66 3ifd h LYS 35 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3ifd h LYS 35 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3ifd h LYS 35 CO 0.00 0.03 -0.21 0.00 -0.57 0.00 0.00 179.45 178.70 3ifd h PRO 37 N 2.09 0.12 -3.17 0.00 0.13 -1.87 -3.46 132.00 125.84 3ifd h PRO 37 Ca -0.47 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3ifd h PRO 37 Cb 1.18 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 3ifd h PRO 37 CO 0.68 0.21 0.13 -1.59 -0.23 0.00 0.00 178.00 177.20 3ifd s LYS 38 N -4.87 1.63 0.28 0.86 -2.85 -1.26 -5.15 119.74 108.37 3ifd s LYS 38 Ca -0.05 -0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 53.66 3ifd s LYS 38 Cb 0.16 0.57 -0.10 0.00 -2.06 0.00 0.00 37.83 36.40 3ifd s LYS 38 CO 0.70 -0.72 1.28 -1.21 0.10 0.00 0.00 175.35 175.51 3ifd s GLU 39 N -3.91 4.40 0.15 1.78 2.02 -1.26 -4.82 118.70 117.06 3ifd s GLU 39 Ca 0.12 2.11 -0.05 0.00 0.02 0.00 0.00 54.97 57.16 3ifd s GLU 39 Cb -0.04 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.04 3ifd s GLU 39 CO 0.04 -0.16 0.18 0.00 0.02 0.00 0.00 175.26 175.33 3ifd s ALA 40 N -0.68 0.42 -0.07 5.21 0.00 -0.61 -4.57 121.76 121.47 3ifd s ALA 40 Ca 0.51 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.33 3ifd s ALA 40 Cb -0.38 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3ifd s ALA 40 CO 0.46 -0.58 -0.16 0.08 0.00 0.00 0.00 175.76 175.56 3ifd s VAL 41 N -4.01 2.85 -0.30 0.00 1.01 -0.67 -0.49 120.40 118.79 3ifd s VAL 41 Ca 0.21 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3ifd s VAL 41 Cb 0.05 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.36 3ifd s VAL 41 CO 0.01 0.57 -0.00 -0.63 0.00 0.00 0.00 175.10 175.05 3ifd s ILE 42 N -0.35 2.91 0.37 2.22 1.01 0.11 -0.36 121.20 127.11 3ifd s ILE 42 Ca 0.03 -1.44 -0.22 0.00 0.00 0.00 0.00 60.65 59.02 3ifd s ILE 42 Cb -0.12 -2.70 -0.10 0.00 0.01 0.00 0.00 42.46 39.55 3ifd s ILE 42 CO 0.02 -0.12 0.90 -0.36 0.00 0.00 0.00 174.94 175.38 3ifd s PHE 43 N 1.23 3.46 -0.10 3.97 0.40 -0.32 -1.63 117.98 124.99 3ifd s PHE 43 Ca -0.05 1.59 0.03 0.00 -0.60 0.00 0.00 56.93 57.90 3ifd s PHE 43 Cb -0.20 -2.81 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 3ifd s PHE 43 CO -0.02 0.05 -0.18 0.21 0.70 0.00 0.00 175.22 175.98 3ifd s LYS 44 N -2.72 3.04 0.69 0.44 2.20 0.30 -1.60 119.74 122.10 3ifd s LYS 44 Ca 0.56 -0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 55.34 3ifd s LYS 44 Cb -0.13 -2.43 0.06 0.00 -1.51 0.00 0.00 37.83 33.82 3ifd s LYS 44 CO 0.17 0.28 0.99 0.95 -0.36 0.00 0.00 175.35 177.39 3ifd s THR 45 N 0.12 2.32 -2.00 3.43 -4.23 0.39 -0.34 115.64 115.33 3ifd s THR 45 Ca -0.09 -0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 3ifd s THR 45 Cb -0.15 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.89 3ifd s THR 45 CO 0.06 0.00 0.89 2.30 -0.54 0.00 0.00 174.62 177.33 3ifd n ILE 46 N -2.86 0.00 -0.54 2.99 -5.35 0.24 -0.57 119.36 113.27 3ifd n ILE 46 Ca 0.08 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.61 3ifd n ILE 46 Cb 0.60 -0.44 0.07 0.00 -1.74 0.00 0.00 39.64 38.13 3ifd n ILE 46 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3ifd n VAL 47 N -0.70 1.39 -1.93 7.28 0.31 -1.26 -4.99 118.33 118.43 3ifd n VAL 47 Ca 0.05 -1.57 -0.18 0.00 -0.01 0.00 0.00 64.34 62.63 3ifd n VAL 47 Cb 0.02 0.16 -0.04 0.00 -0.91 0.00 0.00 33.84 33.07 3ifd n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ifd n ALA 48 N -0.93 -0.40 -2.01 3.52 0.00 0.26 -4.99 120.51 115.96 3ifd n ALA 48 Ca 0.08 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 3ifd n ALA 48 Cb 0.44 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 3ifd n ALA 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3ifd s LYS 49 N -4.20 4.48 -0.19 0.00 2.20 -1.26 -4.77 119.74 116.00 3ifd s LYS 49 Ca 0.00 1.09 -0.04 0.00 -0.36 0.00 0.00 55.97 56.66 3ifd s LYS 49 Cb 0.00 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3ifd s LYS 49 CO 0.00 0.51 -0.03 -1.21 -0.36 0.00 0.00 175.35 174.26 3ifd s GLU 50 N -1.40 3.52 -0.11 4.03 2.02 -1.26 -0.46 118.70 125.04 3ifd s GLU 50 Ca 0.38 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.81 3ifd s GLU 50 Cb -0.21 -2.99 0.02 0.00 0.10 0.00 0.00 34.13 31.04 3ifd s GLU 50 CO 0.25 -0.01 -0.11 0.42 0.02 0.00 0.00 175.26 175.82 3ifd s ILE 51 N 1.02 1.24 0.09 -1.63 1.01 -0.62 -4.98 121.20 117.33 3ifd s ILE 51 Ca 0.01 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 3ifd s ILE 51 Cb -0.15 -1.19 -0.07 0.00 0.01 0.00 0.00 42.46 41.07 3ifd s ILE 51 CO 0.01 0.40 1.28 0.00 0.00 0.00 0.00 174.94 176.63 3ifd s ALA 53 N 1.03 0.36 -0.27 0.00 0.00 0.51 -0.06 121.76 123.33 3ifd s ALA 53 Ca 0.61 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 3ifd s ALA 53 Cb -0.33 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3ifd s ALA 53 CO 0.30 -0.00 1.63 0.34 0.00 0.00 0.00 175.76 178.03 3ifd s ASP 54 N -0.88 6.25 0.64 0.00 -1.08 -1.26 -1.67 116.67 118.67 3ifd s ASP 54 Ca -0.06 1.43 0.41 0.00 -0.52 0.00 0.00 52.55 53.81 3ifd s ASP 54 Cb -0.06 -2.53 2.21 0.00 -1.46 0.00 0.00 42.92 41.08 3ifd s ASP 54 CO -0.00 -1.40 2.32 -0.65 0.52 0.00 0.00 175.17 175.96 3ifd h PRO 55 N 11.27 0.00 0.00 4.34 0.11 -1.90 -2.14 132.00 143.68 3ifd h PRO 55 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ifd h PRO 55 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ifd h PRO 55 CO 1.02 0.01 -0.03 1.63 -0.21 0.00 0.00 178.00 180.41 3ifd n LYS 56 N -3.25 0.18 -2.75 1.05 5.02 -1.26 -4.59 118.16 112.57 3ifd n LYS 56 Ca -0.03 0.14 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 3ifd n LYS 56 Cb 0.10 -1.71 -0.05 0.00 -0.02 0.00 0.00 35.03 33.35 3ifd n LYS 56 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3ifd s GLN 57 N -3.07 4.74 0.26 1.97 -0.21 -0.81 -4.98 119.66 117.56 3ifd s GLN 57 Ca 0.11 1.45 -0.04 0.00 0.02 0.00 0.00 55.36 56.90 3ifd s GLN 57 Cb 0.14 -3.34 0.33 0.00 1.00 0.00 0.00 33.01 31.14 3ifd s GLN 57 CO 0.58 0.32 1.91 -0.22 -2.12 0.00 0.00 175.29 175.76 3ifd h LYS 58 N 5.10 1.25 -0.65 2.91 3.64 -1.89 -1.81 116.57 125.11 3ifd h LYS 58 Ca -0.44 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 3ifd h LYS 58 Cb 1.21 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 3ifd h LYS 58 CO 0.70 0.82 0.15 0.11 -2.27 0.00 0.00 179.45 178.97 3ifd h TRP 59 N 1.28 1.09 0.21 1.91 5.08 -1.95 0.38 115.95 123.96 3ifd h TRP 59 Ca 0.40 -0.13 -0.01 0.00 1.08 0.00 0.00 58.89 60.23 3ifd h TRP 59 Cb -0.02 -0.31 0.00 0.00 -3.00 0.00 0.00 29.16 25.83 3ifd h TRP 59 CO -0.00 0.90 -0.10 0.28 -1.28 0.00 0.00 178.44 178.23 3ifd h VAL 60 N 0.99 0.84 -0.90 0.12 2.07 -1.76 -1.25 116.25 116.36 3ifd h VAL 60 Ca 0.21 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3ifd h VAL 60 Cb 0.36 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3ifd h VAL 60 CO 0.00 0.05 0.57 1.56 0.02 0.00 0.00 177.57 179.78 3ifd h GLN 61 N -0.40 1.06 -0.65 1.57 4.20 -1.19 -1.84 115.11 117.86 3ifd h GLN 61 Ca -0.03 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3ifd h GLN 61 Cb 0.30 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3ifd h GLN 61 CO 0.05 0.70 0.22 -0.44 -0.67 0.00 0.00 178.83 178.69 3ifd h ASP 62 N 1.09 0.90 -0.15 1.46 3.32 -0.83 -1.76 116.42 120.46 3ifd h ASP 62 Ca 0.37 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 3ifd h ASP 62 Cb 0.06 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3ifd h ASP 62 CO -0.14 0.84 -0.56 0.28 -1.72 0.00 0.00 179.24 177.93 3ifd h SER 63 N 0.95 0.83 -0.52 6.45 0.02 -0.83 -0.98 113.55 119.47 3ifd h SER 63 Ca 0.21 -0.45 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3ifd h SER 63 Cb 0.24 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3ifd h SER 63 CO -0.01 1.22 0.12 0.24 -1.14 0.00 0.00 176.83 177.26 3ifd h MET 64 N 0.57 0.83 -0.77 3.45 2.86 -1.26 -0.70 114.93 119.90 3ifd h MET 64 Ca 0.01 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3ifd h MET 64 Cb 1.15 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.65 3ifd h MET 64 CO 0.12 0.80 0.48 -0.44 1.06 0.00 0.00 176.91 178.93 3ifd h ASP 65 N 0.72 0.78 -0.27 1.22 3.45 -1.22 0.19 116.42 121.29 3ifd h ASP 65 Ca 0.16 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 3ifd h ASP 65 Cb 0.35 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 3ifd h ASP 65 CO 0.00 0.53 0.14 -0.74 -1.57 0.00 0.00 179.24 177.60 3ifd h HIS 66 N 0.92 0.37 -0.07 4.55 2.76 -0.93 -2.62 115.15 120.12 3ifd h HIS 66 Ca 0.32 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.39 3ifd h HIS 66 Cb 0.07 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3ifd h HIS 66 CO -0.04 0.32 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.49 3ifd h LEU 67 N 0.31 0.14 -1.48 0.26 3.38 -0.85 0.67 115.31 117.74 3ifd h LEU 67 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ifd h LEU 67 Cb 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ifd h LEU 67 CO -0.01 0.49 0.01 0.44 0.09 0.00 0.00 178.44 179.46 3ifd h ASP 68 N 0.12 0.32 0.00 -0.43 3.32 -0.46 -3.39 116.42 115.90 3ifd h ASP 68 Ca 0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ifd h ASP 68 Cb 0.69 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3ifd h ASP 68 CO 0.05 0.37 0.00 0.29 -1.72 0.00 0.00 179.24 178.23 3ifd n LYS 69 N -4.36 0.00 0.00 3.56 5.02 -1.00 -5.09 118.16 116.28 3ifd n LYS 69 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3ifd n LYS 69 Cb 0.19 -0.01 0.15 0.00 -0.02 0.00 0.00 35.03 35.34 3ifd n LYS 69 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92