#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1x s ASN 2 N 0.00 4.28 -0.51 3.17 -0.87 -1.26 -5.11 114.94 114.63 2k1x s ASN 2 Ca 0.00 -1.23 0.07 0.00 -1.57 0.00 0.00 52.86 50.13 2k1x s ASN 2 Cb 0.00 -0.27 0.19 0.00 -0.02 0.00 0.00 41.25 41.15 2k1x s ASN 2 CO 0.00 -0.61 0.72 0.00 -2.57 0.00 0.00 177.10 174.64 2k1x n ALA 3 N -1.22 -1.60 -3.41 0.60 0.00 -1.26 -5.12 120.51 108.50 2k1x n ALA 3 Ca -0.04 -1.16 -0.09 0.00 0.00 0.00 0.00 53.44 52.15 2k1x n ALA 3 Cb 0.65 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2k1x n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1x s ALA 4 N 0.81 -0.73 -0.84 0.00 0.00 -1.26 -5.10 121.76 114.64 2k1x s ALA 4 Ca 0.30 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 2k1x s ALA 4 Cb 0.02 0.94 0.12 0.00 0.00 0.00 0.00 23.12 24.20 2k1x s ALA 4 CO -0.07 -0.89 1.04 -1.21 0.00 0.00 0.00 175.76 174.63 2k1x s GLU 5 N -3.95 3.45 -0.07 0.00 2.02 -1.26 -4.53 118.70 114.35 2k1x s GLU 5 Ca 0.15 -1.57 0.05 0.00 0.02 0.00 0.00 54.97 53.63 2k1x s GLU 5 Cb -0.02 -4.70 -0.01 0.00 0.10 0.00 0.00 34.13 29.50 2k1x s GLU 5 CO 0.05 -1.74 -0.24 0.08 0.02 0.00 0.00 175.26 173.43 2k1x s VAL 6 N 2.85 2.09 -0.25 2.63 1.01 -1.26 -4.44 120.40 123.03 2k1x s VAL 6 Ca 0.28 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2k1x s VAL 6 Cb -0.09 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.58 2k1x s VAL 6 CO -0.04 0.57 -0.09 -0.51 0.00 0.00 0.00 175.10 175.03 2k1x s ILE 7 N 0.02 1.91 0.21 2.22 2.07 -1.23 -3.23 121.20 123.17 2k1x s ILE 7 Ca -0.09 -1.48 0.03 0.00 -1.41 0.00 0.00 60.65 57.70 2k1x s ILE 7 Cb -0.15 -2.09 -0.05 0.00 0.13 0.00 0.00 42.46 40.30 2k1x s ILE 7 CO 0.06 -0.07 -0.01 0.68 -1.91 0.00 0.00 174.94 173.69 2k1x s VAL 8 N 1.22 0.95 -0.06 4.00 -7.23 -1.20 -2.04 120.40 116.04 2k1x s VAL 8 Ca -0.07 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 2k1x s VAL 8 Cb -0.20 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2k1x s VAL 8 CO -0.06 -0.40 -0.13 -0.31 -0.31 0.00 0.00 175.10 173.90 2k1x s TYR 9 N -3.48 2.76 -0.62 2.82 1.51 -0.60 -3.20 117.35 116.54 2k1x s TYR 9 Ca 0.26 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.14 2k1x s TYR 9 Cb 0.05 -1.67 0.49 0.00 -0.11 0.00 0.00 41.96 40.72 2k1x s TYR 9 CO 0.07 0.17 1.99 -1.91 -1.11 0.00 0.00 175.55 174.75 2k1x n GLU 10 N 2.44 2.63 -3.54 -0.62 2.13 -0.80 -3.84 120.64 119.05 2k1x n GLU 10 Ca -0.17 -3.27 0.00 0.00 0.66 0.00 0.00 57.16 54.38 2k1x n GLU 10 Cb 0.52 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.97 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2k1x n HIS 11 N -0.95 0.00 -1.02 4.31 8.25 -1.26 -4.55 115.22 119.99 2k1x n HIS 11 Ca 0.62 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.77 2k1x n HIS 11 Cb 0.85 0.00 0.13 0.00 1.12 0.00 0.00 29.99 32.08 2k1x n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2k1x s VAL 12 N -2.61 2.77 -0.85 1.59 1.01 -1.25 -3.39 120.40 117.67 2k1x s VAL 12 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2k1x s VAL 12 Cb 0.00 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.87 2k1x s VAL 12 CO 0.00 -0.33 2.72 -3.20 0.00 0.00 0.00 175.10 174.29 2k1x n ASN 13 N -3.85 7.16 -0.49 3.32 5.15 -1.26 -3.43 115.26 121.86 2k1x n ASN 13 Ca 0.10 -3.06 -0.01 0.00 -0.60 0.00 0.00 54.58 51.01 2k1x n ASN 13 Cb 0.53 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.44 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2k1x n PHE 14 N 1.57 0.00 0.00 1.20 -1.74 -1.26 -5.01 117.46 112.22 2k1x n PHE 14 Ca 0.56 -0.07 0.00 0.00 -0.56 0.00 0.00 57.45 57.38 2k1x n PHE 14 Cb 0.44 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.71 2k1x n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k1x n GLY 15 N 0.00 0.00 3.30 4.97 0.00 -1.24 -5.18 105.19 107.04 2k1x n GLY 15 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2k1x n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1x s GLY 16 N 0.00 1.43 -0.20 -0.02 0.00 -1.22 -4.75 107.32 102.56 2k1x s GLY 16 Ca 0.00 -1.60 -0.20 0.00 0.00 0.00 0.00 44.72 42.92 2k1x s GLY 16 CO 0.00 -1.25 0.58 -1.59 0.00 0.00 0.00 173.10 170.85 2k1x s LYS 17 N -3.93 4.20 -0.06 2.90 0.00 -1.26 -4.96 119.74 116.63 2k1x s LYS 17 Ca 0.36 0.53 0.06 0.00 0.00 0.00 0.00 55.97 56.92 2k1x s LYS 17 Cb 0.04 -3.57 -0.01 0.00 0.00 0.00 0.00 37.83 34.29 2k1x s LYS 17 CO 0.15 -0.21 -0.23 -1.54 0.00 0.00 0.00 175.35 173.51 2k1x s SER 18 N 1.19 2.88 -0.04 0.03 1.04 -1.26 -1.91 113.70 115.64 2k1x s SER 18 Ca 0.27 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.27 2k1x s SER 18 Cb -0.16 -0.81 -0.01 0.00 0.10 0.00 0.00 66.02 65.15 2k1x s SER 18 CO 0.10 0.22 -0.19 0.72 0.98 0.00 0.00 173.24 175.07 2k1x s PHE 19 N -0.11 1.82 0.00 5.02 -0.71 -1.20 -5.05 117.98 117.76 2k1x s PHE 19 Ca -0.04 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 2k1x s PHE 19 Cb -0.13 -1.21 0.00 0.00 -1.21 0.00 0.00 43.02 40.47 2k1x s PHE 19 CO 0.04 -0.13 0.00 -0.25 -1.34 0.00 0.00 175.22 173.53 2k1x n ASP 20 N 2.95 -0.06 -4.55 1.98 8.00 -1.26 -3.23 116.55 120.37 2k1x n ASP 20 Ca -0.17 -0.28 -0.40 0.00 0.71 0.00 0.00 54.79 54.65 2k1x n ASP 20 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1x s ALA 21 N -3.79 2.65 -0.07 2.24 0.00 -1.20 -4.48 121.76 117.11 2k1x s ALA 21 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 2k1x s ALA 21 Cb 0.00 -4.30 0.10 0.00 0.00 0.00 0.00 23.12 18.92 2k1x s ALA 21 CO 0.00 -3.43 1.35 0.95 0.00 0.00 0.00 175.76 174.63 2k1x s THR 22 N 6.15 0.00 -0.80 0.00 -4.23 -1.26 -4.79 115.64 110.71 2k1x s THR 22 Ca 0.41 -0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.60 2k1x s THR 22 Cb -0.08 -2.92 -0.08 0.00 1.34 0.00 0.00 72.50 70.76 2k1x s THR 22 CO 0.13 0.00 2.16 -0.44 -0.54 0.00 0.00 174.62 175.93 2k1x s SER 23 N -3.87 4.59 0.00 3.99 0.01 -1.26 -4.42 113.70 112.73 2k1x s SER 23 Ca 0.31 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2k1x s SER 23 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2k1x s SER 23 CO -0.02 -3.19 0.00 0.47 0.41 0.00 0.00 173.24 170.91 2k1x n ASP 24 N 15.94 0.00 -2.89 2.44 8.00 -1.26 -5.06 116.55 133.71 2k1x n ASP 24 Ca 0.41 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.78 2k1x n ASP 24 Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 2k1x n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1x n GLN 25 N -1.22 0.82 -2.11 -1.24 1.13 -1.26 -5.05 117.38 108.45 2k1x n GLN 25 Ca 0.00 -2.27 -0.42 0.00 -1.94 0.00 0.00 57.00 52.37 2k1x n GLN 25 Cb 0.00 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2k1x n GLN 25 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2k1x n PRO 26 N 1.26 3.33 0.00 -1.09 -0.04 -1.26 -4.73 135.00 132.47 2k1x n PRO 26 Ca 0.13 -3.18 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 2k1x n PRO 26 Cb 0.62 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 2k1x n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k1x n GLY 27 N 3.29 1.29 3.66 0.55 0.00 -1.26 -4.83 105.19 107.90 2k1x n GLY 27 Ca 0.44 0.48 -0.39 0.00 0.00 0.00 0.00 46.02 46.55 2k1x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1x s ALA 28 N 0.00 3.54 0.27 4.61 0.00 -1.26 -4.86 121.76 124.06 2k1x s ALA 28 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2k1x s ALA 28 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2k1x s ALA 28 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2k1x n GLY 29 N 3.85 -0.50 3.58 0.00 0.00 -1.26 -4.84 105.19 106.02 2k1x n GLY 29 Ca -0.04 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2k1x n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k1x s ASP 30 N -4.50 5.40 0.00 1.61 2.15 -1.26 -4.85 116.67 115.23 2k1x s ASP 30 Ca 0.00 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2k1x s ASP 30 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2k1x s ASP 30 CO 0.00 -2.68 0.00 -3.20 -0.17 0.00 0.00 175.17 169.12 2k1x n ASN 31 N 13.14 1.02 -0.90 -0.34 2.85 -1.26 -5.18 115.26 124.59 2k1x n ASN 31 Ca 0.45 -1.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.93 2k1x n ASN 31 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2k1x n LEU 32 N 0.00 0.00 0.06 1.20 7.94 -1.26 -4.72 117.00 120.22 2k1x n LEU 32 Ca 0.00 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.10 2k1x n LEU 32 Cb 0.00 0.00 0.74 0.00 0.53 0.00 0.00 43.42 44.69 2k1x n LEU 32 CO 0.00 0.00 1.18 -0.55 -1.11 0.00 0.00 177.39 176.91 2k1x h ASN 33 N 0.00 0.00 -0.30 1.96 -1.07 -1.77 -2.94 115.58 111.46 2k1x h ASN 33 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.73 2k1x h ASN 33 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 2k1x h ASN 33 CO 0.00 0.00 3.02 0.47 0.07 0.00 0.00 177.43 180.99 2k1x n ASP 34 N -4.00 8.21 -4.41 6.14 8.00 -1.26 -4.74 116.55 124.49 2k1x n ASP 34 Ca 0.08 -2.72 -0.44 0.00 0.71 0.00 0.00 54.79 52.42 2k1x n ASP 34 Cb 0.59 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.15 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2k1x s LYS 35 N 1.16 3.09 -0.21 -1.24 2.47 -1.11 -4.99 119.74 118.91 2k1x s LYS 35 Ca 0.66 -1.07 -0.04 0.00 -1.56 0.00 0.00 55.97 53.96 2k1x s LYS 35 Cb 0.20 -4.19 0.11 0.00 -1.46 0.00 0.00 37.83 32.48 2k1x s LYS 35 CO -0.07 -1.45 0.29 0.96 0.16 0.00 0.00 175.35 175.24 2k1x s ILE 36 N 2.86 -0.45 0.00 5.43 -0.00 -1.26 -4.86 121.20 122.92 2k1x s ILE 36 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.75 2k1x s ILE 36 Cb -0.21 -0.70 0.00 0.00 -0.00 0.00 0.00 42.46 41.54 2k1x s ILE 36 CO 0.09 -0.13 0.00 -1.54 -0.00 0.00 0.00 174.94 173.36 2k1x n SER 37 N 5.34 0.00 -4.53 4.36 3.41 -1.23 -3.91 113.62 117.07 2k1x n SER 37 Ca -0.05 -0.65 -0.24 0.00 -0.26 0.00 0.00 58.87 57.68 2k1x n SER 37 Cb 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 2k1x n SER 37 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k1x s SER 38 N 0.06 3.90 0.00 4.04 0.15 -1.22 -3.53 113.70 117.11 2k1x s SER 38 Ca 0.00 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.77 2k1x s SER 38 Cb 0.00 -0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2k1x s SER 38 CO 0.00 0.04 -0.01 -0.51 1.20 0.00 0.00 173.24 173.96 2k1x s ILE 39 N -2.36 0.06 -0.05 6.45 -1.16 -0.79 -1.57 121.20 121.78 2k1x s ILE 39 Ca 0.30 -0.11 -0.16 0.00 -0.51 0.00 0.00 60.65 60.16 2k1x s ILE 39 Cb -0.06 -0.07 0.03 0.00 0.61 0.00 0.00 42.46 42.97 2k1x s ILE 39 CO 0.16 -0.03 0.37 -0.75 -2.81 0.00 0.00 174.94 171.88 2k1x s LYS 40 N -0.15 0.66 -0.03 3.50 2.20 -0.86 -0.17 119.74 124.88 2k1x s LYS 40 Ca -0.01 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2k1x s LYS 40 Cb -0.01 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2k1x s LYS 40 CO -0.00 -0.17 -0.03 0.54 -0.36 0.00 0.00 175.35 175.33 2k1x s VAL 41 N -0.97 0.37 -0.28 4.02 0.11 -1.17 -3.50 120.40 118.98 2k1x s VAL 41 Ca -0.10 -0.05 0.11 0.00 -2.93 0.00 0.00 61.98 59.01 2k1x s VAL 41 Cb -0.04 -0.41 0.47 0.00 -1.53 0.00 0.00 36.38 34.87 2k1x s VAL 41 CO 0.04 0.18 1.17 1.17 -3.33 0.00 0.00 175.10 174.33 2k1x n LYS 42 N 3.95 3.05 0.00 1.54 0.00 -1.26 -3.40 118.16 122.04 2k1x n LYS 42 Ca -0.25 -3.95 0.00 0.00 0.00 0.00 0.00 58.31 54.11 2k1x n LYS 42 Cb 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2k1x n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2k1x n SER 43 N -0.68 0.00 0.00 3.14 7.64 -1.26 -5.03 113.62 117.42 2k1x n SER 43 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2k1x n SER 43 Cb 0.92 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1x n GLY 44 N 0.00 0.79 3.26 0.23 0.00 -1.26 -4.89 105.19 103.32 2k1x n GLY 44 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2k1x n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k1x s THR 45 N 0.00 0.04 0.47 2.61 -4.23 -1.23 -4.58 115.64 108.73 2k1x s THR 45 Ca 0.00 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.21 2k1x s THR 45 Cb 0.00 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 2k1x s THR 45 CO 0.00 -0.19 0.07 0.26 -0.54 0.00 0.00 174.62 174.22 2k1x s TRP 46 N -0.99 2.13 -0.09 3.99 0.51 -1.21 -4.33 118.94 118.95 2k1x s TRP 46 Ca -0.10 -0.81 0.03 0.00 -2.12 0.00 0.00 56.10 53.09 2k1x s TRP 46 Cb -0.04 -1.74 0.01 0.00 -0.81 0.00 0.00 33.47 30.88 2k1x s TRP 46 CO 0.04 0.21 -0.17 1.03 -0.51 0.00 0.00 176.95 177.55 2k1x s ARG 47 N -3.88 2.33 -0.15 4.98 3.00 -1.23 -2.27 118.95 121.73 2k1x s ARG 47 Ca 0.22 -0.62 -0.01 0.00 0.00 0.00 0.00 55.73 55.32 2k1x s ARG 47 Cb 0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 34.95 33.13 2k1x s ARG 47 CO 0.12 0.07 -0.11 -0.06 0.00 0.00 0.00 175.30 175.31 2k1x s PHE 48 N 0.60 2.85 -0.03 -0.53 0.08 0.67 -2.80 117.98 118.81 2k1x s PHE 48 Ca -0.15 -0.68 -0.01 0.00 0.12 0.00 0.00 56.93 56.21 2k1x s PHE 48 Cb -0.16 -1.89 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 2k1x s PHE 48 CO 0.05 -0.26 0.05 1.52 -0.10 0.00 0.00 175.22 176.48 2k1x s TYR 49 N 0.52 0.02 -0.84 0.36 -0.85 -0.85 -0.98 117.35 114.73 2k1x s TYR 49 Ca -0.08 0.21 -0.12 0.00 -0.52 0.00 0.00 57.07 56.56 2k1x s TYR 49 Cb -0.15 -0.31 0.22 0.00 0.38 0.00 0.00 41.96 42.09 2k1x s TYR 49 CO 0.04 -0.14 0.78 -1.21 -1.52 0.00 0.00 175.55 173.50 2k1x s GLU 50 N 1.51 3.59 0.00 -3.49 8.01 -1.26 -1.46 118.70 125.60 2k1x s GLU 50 Ca -0.04 -2.56 0.00 0.00 0.01 0.00 0.00 54.97 52.38 2k1x s GLU 50 Cb -0.13 -4.38 0.00 0.00 -4.31 0.00 0.00 34.13 25.31 2k1x s GLU 50 CO -0.03 -1.28 0.00 0.66 0.01 0.00 0.00 175.26 174.62 2k1x n TYR 51 N 3.77 0.00 -0.49 1.61 4.01 0.88 -4.39 117.16 122.56 2k1x n TYR 51 Ca 0.15 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.61 2k1x n TYR 51 Cb 0.45 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.70 2k1x n TYR 51 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2k1x n ILE 52 N 3.02 0.00 -0.63 -0.72 -5.35 -1.26 -4.19 119.36 110.23 2k1x n ILE 52 Ca 0.00 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 2k1x n ILE 52 Cb 0.00 -0.75 0.04 0.00 -1.74 0.00 0.00 39.64 37.19 2k1x n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2k1x n ASN 53 N -3.24 5.65 -0.43 7.28 5.15 -1.26 -3.49 115.26 124.91 2k1x n ASN 53 Ca 0.05 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 2k1x n ASN 53 Cb 0.54 -0.98 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k1x n TYR 54 N 0.40 0.00 -0.82 1.20 4.02 -1.26 -5.14 117.16 115.56 2k1x n TYR 54 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 2k1x n TYR 54 Cb 0.65 0.12 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k1x n GLY 55 N 0.00 -0.63 0.00 2.72 0.00 -1.23 -5.18 105.19 100.87 2k1x n GLY 55 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2k1x n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1x n GLY 56 N 0.00 1.03 3.60 -0.02 0.00 -1.26 -4.52 105.19 104.02 2k1x n GLY 56 Ca 0.00 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 2k1x n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1x s ARG 57 N -1.38 3.48 -0.49 1.61 3.00 -1.26 -4.90 118.95 119.02 2k1x s ARG 57 Ca 0.00 1.00 -0.29 0.00 -1.00 0.00 0.00 55.73 55.44 2k1x s ARG 57 Cb 0.00 -4.08 0.02 0.00 0.00 0.00 0.00 34.95 30.89 2k1x s ARG 57 CO 0.00 -1.68 1.30 -0.47 0.00 0.00 0.00 175.30 174.44 2k1x s TYR 58 N 5.87 2.53 -0.21 5.12 5.04 -1.26 -3.96 117.35 130.48 2k1x s TYR 58 Ca 0.65 0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 55.84 2k1x s TYR 58 Cb -0.15 -4.41 0.07 0.00 0.35 0.00 0.00 41.96 37.82 2k1x s TYR 58 CO 0.32 -1.70 0.09 -0.46 -1.34 0.00 0.00 175.55 172.46 2k1x s TRP 59 N 5.21 0.48 0.36 4.97 -0.00 -0.15 -4.99 118.94 124.82 2k1x s TRP 59 Ca 0.52 -0.63 -0.04 0.00 -0.00 0.00 0.00 56.10 55.96 2k1x s TRP 59 Cb -0.10 -0.86 -0.04 0.00 -0.00 0.00 0.00 33.47 32.46 2k1x s TRP 59 CO 0.30 -0.62 0.62 0.16 -0.00 0.00 0.00 176.95 177.41 2k1x s ASP 60 N 2.04 6.36 0.12 5.86 1.47 -1.26 -0.24 116.67 131.02 2k1x s ASP 60 Ca 0.03 0.71 0.11 0.00 1.18 0.00 0.00 52.55 54.58 2k1x s ASP 60 Cb -0.16 -2.15 -0.04 0.00 -0.34 0.00 0.00 42.92 40.23 2k1x s ASP 60 CO -0.16 -0.34 -0.27 -1.48 0.68 0.00 0.00 175.17 173.60 2k1x s LEU 61 N -4.12 2.31 0.00 2.11 2.34 -0.96 -4.92 118.68 115.45 2k1x s LEU 61 Ca 0.44 -0.74 0.01 0.00 0.06 0.00 0.00 54.13 53.90 2k1x s LEU 61 Cb -0.10 -1.23 -0.00 0.00 -0.56 0.00 0.00 46.19 44.30 2k1x s LEU 61 CO 0.36 0.19 0.03 0.61 -1.06 0.00 0.00 176.35 176.47 2k1x n GLY 62 N 0.97 3.85 3.49 -3.48 0.00 -1.26 -3.34 105.19 105.41 2k1x n GLY 62 Ca -0.18 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 2k1x n GLY 62 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k1x n PRO 63 N -0.46 0.23 0.00 1.61 -0.02 -1.26 -4.47 135.00 130.64 2k1x n PRO 63 Ca -0.06 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2k1x n PRO 63 Cb 0.26 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2k1x n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k1x n GLY 64 N 6.50 2.97 3.47 -1.23 0.00 -1.22 -5.01 105.19 110.68 2k1x n GLY 64 Ca 0.59 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 2k1x n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k1x s GLU 65 N -2.04 1.94 0.14 1.61 -6.30 -1.26 -3.02 118.70 109.77 2k1x s GLU 65 Ca 0.00 -1.07 0.04 0.00 -2.50 0.00 0.00 54.97 51.43 2k1x s GLU 65 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 34.13 31.93 2k1x s GLU 65 CO 0.00 0.51 -0.09 0.71 0.02 0.00 0.00 175.26 176.42 2k1x s TYR 66 N -1.03 1.19 -0.38 5.30 2.02 0.76 -4.98 117.35 120.24 2k1x s TYR 66 Ca 0.16 -0.81 0.11 0.00 -0.37 0.00 0.00 57.07 56.16 2k1x s TYR 66 Cb -0.11 -0.63 0.32 0.00 -0.40 0.00 0.00 41.96 41.15 2k1x s TYR 66 CO 0.08 0.01 0.67 -1.13 -1.57 0.00 0.00 175.55 173.61 2k1x n SER 67 N -0.17 0.63 -4.82 2.29 3.41 -1.26 -1.89 113.62 111.81 2k1x n SER 67 Ca -0.10 -2.92 -0.35 0.00 -0.26 0.00 0.00 58.87 55.23 2k1x n SER 67 Cb 0.61 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2k1x n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1x s SER 68 N -2.07 6.99 0.00 4.04 0.01 -1.23 -4.96 113.70 116.47 2k1x s SER 68 Ca 0.39 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2k1x s SER 68 Cb 0.30 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2k1x s SER 68 CO -0.09 -0.02 0.66 1.33 0.41 0.00 0.00 173.24 175.53 2k1x n VAL 69 N 0.47 0.00 0.00 3.43 0.24 -1.26 -3.52 118.33 117.69 2k1x n VAL 69 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2k1x n VAL 69 Cb 0.52 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 2k1x n VAL 69 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2k1x n GLU 70 N 0.00 0.00 0.00 7.34 0.28 -1.26 -4.95 120.64 122.05 2k1x n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2k1x n GLU 70 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 2k1x n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k1x n SER 71 N 0.00 0.00 -0.22 -1.84 2.88 -1.26 -4.95 113.62 108.23 2k1x n SER 71 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2k1x n SER 71 Cb 0.00 0.33 0.14 0.00 -0.75 0.00 0.00 64.21 63.93 2k1x n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1x h ALA 72 N 0.00 0.86 0.00 -1.46 0.00 -1.95 -3.44 119.26 113.27 2k1x h ALA 72 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k1x h ALA 72 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k1x h ALA 72 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2k1x n GLY 73 N -1.33 0.11 2.42 0.00 0.00 -1.26 -5.05 105.19 100.07 2k1x n GLY 73 Ca 0.11 0.68 -0.26 0.00 0.00 0.00 0.00 46.02 46.55 2k1x n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k1x n ILE 74 N 0.00 0.36 0.00 -0.61 2.08 -1.26 -4.86 119.36 115.07 2k1x n ILE 74 Ca 0.00 -4.33 0.00 0.00 0.56 0.00 0.00 62.75 58.98 2k1x n ILE 74 Cb 0.00 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 2k1x n ILE 74 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2k1x n PRO 75 N 1.69 1.27 0.21 0.38 -0.02 -1.26 -4.94 135.00 132.32 2k1x n PRO 75 Ca 0.25 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2k1x n PRO 75 Cb 0.46 0.00 0.29 0.00 -0.02 0.00 0.00 33.50 34.23 2k1x n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k1x h ASP 76 N 0.00 0.00 -1.02 2.55 1.82 -1.99 -3.46 116.42 114.33 2k1x h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k1x h ASP 76 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2k1x h ASP 76 CO 0.00 0.22 0.00 -3.20 -1.61 0.00 0.00 179.24 174.65 2k1x n ASN 77 N -3.23 0.00 0.00 2.28 5.15 -1.26 -4.41 115.26 113.79 2k1x n ASN 77 Ca 0.02 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 2k1x n ASN 77 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 2k1x n ASN 77 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2k1x n SER 78 N -1.08 0.00 -3.64 1.20 2.88 -1.25 -4.28 113.62 107.45 2k1x n SER 78 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2k1x n SER 78 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2k1x n SER 78 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k1x n ILE 79 N 0.00 -6.19 -3.45 2.46 -0.00 -1.26 -4.82 119.36 106.09 2k1x n ILE 79 Ca 0.00 -1.00 -0.13 0.00 -0.00 0.00 0.00 62.75 61.62 2k1x n ILE 79 Cb 0.00 -4.56 -0.03 0.00 -0.00 0.00 0.00 39.64 35.05 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2k1x s SER 80 N -3.46 -0.55 0.02 4.38 1.04 -1.26 -0.08 113.70 113.79 2k1x s SER 80 Ca 0.47 0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.70 2k1x s SER 80 Cb -0.16 0.58 0.10 0.00 0.10 0.00 0.00 66.02 66.64 2k1x s SER 80 CO 0.85 -0.91 0.83 -0.55 0.98 0.00 0.00 173.24 174.44 2k1x s SER 81 N -2.54 -0.41 -0.14 7.02 0.15 -0.53 -4.91 113.70 112.34 2k1x s SER 81 Ca -0.01 0.02 -0.11 0.00 0.70 0.00 0.00 55.95 56.56 2k1x s SER 81 Cb -0.01 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 2k1x s SER 81 CO -0.10 -0.68 0.36 0.72 1.20 0.00 0.00 173.24 174.74 2k1x s PHE 82 N -3.17 -0.45 -0.30 3.44 -0.71 -1.26 -2.01 117.98 113.51 2k1x s PHE 82 Ca 0.04 1.05 -0.20 0.00 -1.04 0.00 0.00 56.93 56.78 2k1x s PHE 82 Cb -0.01 0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.96 2k1x s PHE 82 CO -0.09 -0.24 0.62 1.03 -1.34 0.00 0.00 175.22 175.20 2k1x s ARG 83 N 0.68 3.90 -0.95 1.99 1.81 -1.12 -4.91 118.95 120.35 2k1x s ARG 83 Ca -0.04 0.29 -0.23 0.00 -1.72 0.00 0.00 55.73 54.03 2k1x s ARG 83 Cb -0.05 -3.73 0.06 0.00 -0.45 0.00 0.00 34.95 30.78 2k1x s ARG 83 CO -0.05 -0.57 1.34 -0.65 -0.68 0.00 0.00 175.30 174.70 2k1x s GLN 84 N 2.59 3.51 0.00 3.54 -0.21 -1.26 -3.55 119.66 124.28 2k1x s GLN 84 Ca 0.25 -1.11 0.08 0.00 0.02 0.00 0.00 55.36 54.59 2k1x s GLN 84 Cb -0.15 -5.06 0.06 0.00 1.00 0.00 0.00 33.01 28.86 2k1x s GLN 84 CO 0.12 -2.10 0.75 0.44 -2.12 0.00 0.00 175.29 172.38