#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 1.27 -0.46 7.83 2.47 -1.26 -5.09 114.94 119.70 2k1x s ASN 2 Ca 0.00 -0.89 0.06 0.00 0.42 0.00 0.00 52.86 52.45 2k1x s ASN 2 Cb 0.00 0.05 0.31 0.00 -1.45 0.00 0.00 41.25 40.16 2k1x s ASN 2 CO 0.00 -0.35 1.08 0.00 -3.72 0.00 0.00 177.10 174.11 2k1x n ALA 3 N 0.33 -0.88 -1.93 1.71 0.00 -1.26 -4.85 120.51 113.63 2k1x n ALA 3 Ca -0.15 -1.46 -0.26 0.00 0.00 0.00 0.00 53.44 51.58 2k1x n ALA 3 Cb 0.59 -1.19 0.08 0.00 0.00 0.00 0.00 19.45 18.93 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 0.33 3.10 -0.53 0.00 0.00 -1.26 -4.99 121.76 118.41 2k1x s ALA 4 Ca 0.24 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 2k1x s ALA 4 Cb 0.28 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.84 2k1x s ALA 4 CO -0.08 -1.37 0.79 -2.00 0.00 0.00 0.00 175.76 173.09 2k1x s GLU 5 N -5.29 3.23 -0.27 0.00 -6.30 -1.26 -4.48 118.70 104.33 2k1x s GLU 5 Ca 0.61 -0.58 -0.05 0.00 -2.50 0.00 0.00 54.97 52.45 2k1x s GLU 5 Cb -0.10 -4.08 0.01 0.00 0.00 0.00 0.00 34.13 29.96 2k1x s GLU 5 CO 0.45 -1.37 0.03 0.08 0.02 0.00 0.00 175.26 174.48 2k1x s VAL 6 N 3.31 3.65 -0.29 3.70 1.01 -1.18 -4.53 120.40 126.07 2k1x s VAL 6 Ca 0.23 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2k1x s VAL 6 Cb -0.16 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.44 2k1x s VAL 6 CO 0.15 0.18 -0.03 -0.51 0.00 0.00 0.00 175.10 174.89 2k1x s ILE 7 N 1.46 2.83 -0.03 2.22 2.07 -1.22 -3.37 121.20 125.17 2k1x s ILE 7 Ca 0.03 -1.40 0.04 0.00 -1.41 0.00 0.00 60.65 57.90 2k1x s ILE 7 Cb -0.16 -2.62 -0.00 0.00 0.13 0.00 0.00 42.46 39.80 2k1x s ILE 7 CO 0.00 -0.07 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.13 2k1x s VAL 8 N 1.23 1.15 0.06 4.00 1.01 -1.15 -2.36 120.40 124.35 2k1x s VAL 8 Ca -0.06 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2k1x s VAL 8 Cb -0.20 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 2k1x s VAL 8 CO -0.02 0.34 0.60 -0.31 0.00 0.00 0.00 175.10 175.70 2k1x s TYR 9 N -0.05 3.78 -0.65 5.22 1.51 -0.96 -2.76 117.35 123.44 2k1x s TYR 9 Ca -0.00 1.29 -0.03 0.00 -1.01 0.00 0.00 57.07 57.32 2k1x s TYR 9 Cb -0.09 -2.56 0.25 0.00 -0.11 0.00 0.00 41.96 39.46 2k1x s TYR 9 CO 0.01 0.51 2.28 -1.91 -1.11 0.00 0.00 175.55 175.32 2k1x n GLU 10 N 2.03 2.55 -3.34 -0.62 2.13 0.84 -3.84 120.64 120.40 2k1x n GLU 10 Ca -0.09 -2.93 0.00 0.00 0.66 0.00 0.00 57.16 54.80 2k1x n GLU 10 Cb 0.51 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.04 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 -0.04 0.00 -0.92 4.31 8.25 -1.26 -4.53 115.22 121.03 2k1x n HIS 11 Ca 0.52 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.67 2k1x n HIS 11 Cb 0.42 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.68 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 -2.96 2.53 -0.70 1.59 1.01 -1.26 -2.63 120.40 117.98 2k1x s VAL 12 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2k1x s VAL 12 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2k1x s VAL 12 CO 0.00 -0.23 2.90 -0.46 0.00 0.00 0.00 175.10 177.32 2k1x n ASN 13 N -4.03 6.86 -0.52 3.32 0.23 -1.26 -3.56 115.26 116.30 2k1x n ASN 13 Ca 0.10 -2.94 -0.01 0.00 -0.53 0.00 0.00 54.58 51.19 2k1x n ASN 13 Cb 0.53 -1.35 -0.01 0.00 -2.08 0.00 0.00 39.78 36.87 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 2k1x n PHE 14 N 1.79 0.00 0.00 -2.53 -1.74 -1.26 -5.02 117.46 108.70 2k1x n PHE 14 Ca 0.55 -0.06 0.00 0.00 -0.56 0.00 0.00 57.45 57.38 2k1x n PHE 14 Cb 0.52 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.79 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 3.28 4.97 0.00 -1.23 -5.18 105.19 107.02 2k1x n GLY 15 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.44 -0.02 0.00 -1.23 -4.67 107.32 103.27 2k1x s GLY 16 Ca 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.09 2k1x s GLY 16 CO 0.00 -1.28 0.68 -1.59 0.00 0.00 0.00 173.10 170.91 2k1x s LYS 17 N -4.00 3.20 0.03 2.90 0.00 -1.26 -4.91 119.74 115.71 2k1x s LYS 17 Ca 0.36 -0.32 -0.07 0.00 0.00 0.00 0.00 55.97 55.94 2k1x s LYS 17 Cb 0.05 -2.53 -0.00 0.00 0.00 0.00 0.00 37.83 35.35 2k1x s LYS 17 CO 0.14 -0.21 0.14 -1.54 0.00 0.00 0.00 175.35 173.88 2k1x s SER 18 N -4.17 0.08 -0.07 0.03 1.04 -1.26 -0.11 113.70 109.24 2k1x s SER 18 Ca 0.47 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 2k1x s SER 18 Cb -0.10 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.31 2k1x s SER 18 CO 0.39 -0.49 0.13 0.72 0.98 0.00 0.00 173.24 174.97 2k1x s PHE 19 N -2.27 -0.10 -0.64 5.02 -0.12 -1.11 -5.00 117.98 113.76 2k1x s PHE 19 Ca -0.08 0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 57.28 2k1x s PHE 19 Cb -0.03 -0.34 0.44 0.00 -0.63 0.00 0.00 43.02 42.47 2k1x s PHE 19 CO -0.03 -0.25 1.94 -0.40 -0.05 0.00 0.00 175.22 176.43 2k1x n ASP 20 N 5.32 7.38 -2.15 1.98 5.68 -1.26 -2.93 116.55 130.57 2k1x n ASP 20 Ca -0.04 -3.79 0.00 0.00 -0.50 0.00 0.00 54.79 50.46 2k1x n ASP 20 Cb 0.50 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k1x n ALA 21 N -0.86 0.00 -1.00 2.12 0.00 -1.22 -4.50 120.51 115.06 2k1x n ALA 21 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2k1x n ALA 21 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2k1x n ALA 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k1x n THR 22 N -1.66 0.00 1.72 0.00 -1.04 -1.26 -3.07 114.28 108.97 2k1x n THR 22 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 2k1x n THR 22 Cb 0.00 -1.95 0.48 0.00 -1.82 0.00 0.00 70.33 67.04 2k1x n THR 22 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k1x n SER 23 N -2.88 0.60 -0.04 8.00 7.64 -1.26 -3.34 113.62 122.34 2k1x n SER 23 Ca 0.00 -1.54 0.14 0.00 1.01 0.00 0.00 58.87 58.48 2k1x n SER 23 Cb 0.00 -0.04 0.52 0.00 -1.01 0.00 0.00 64.21 63.68 2k1x n SER 23 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k1x n ASP 24 N -0.38 0.31 -4.85 6.43 9.92 -1.26 -4.88 116.55 121.85 2k1x n ASP 24 Ca 0.14 -0.12 -0.32 0.00 -0.53 0.00 0.00 54.79 53.97 2k1x n ASP 24 Cb 0.16 -0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 2k1x n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k1x s GLN 25 N -2.80 3.87 -1.12 -1.24 1.03 -1.21 -4.94 119.66 113.25 2k1x s GLN 25 Ca 0.19 0.93 -0.21 0.00 0.04 0.00 0.00 55.36 56.31 2k1x s GLN 25 Cb 0.19 -2.12 -0.06 0.00 0.03 0.00 0.00 33.01 31.04 2k1x s GLN 25 CO 0.56 -0.34 1.93 -0.35 -2.54 0.00 0.00 175.29 174.54 2k1x n PRO 26 N -1.80 2.02 0.01 9.60 -0.04 -1.26 -4.74 135.00 138.79 2k1x n PRO 26 Ca 0.07 -2.45 -0.00 0.00 -0.04 0.00 0.00 63.50 61.07 2k1x n PRO 26 Cb 0.54 -3.39 -0.00 0.00 -0.04 0.00 0.00 33.50 30.61 2k1x n PRO 26 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k1x h GLY 27 N 14.67 -0.03 -0.14 0.55 0.00 -1.92 -3.47 103.07 112.74 2k1x h GLY 27 Ca 0.37 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 2k1x h GLY 27 CO 1.57 -0.01 -0.03 0.00 0.00 0.00 0.00 176.54 178.08 2k1x n ALA 28 N -2.06 -0.80 0.00 3.60 0.00 -1.26 -4.90 120.51 115.08 2k1x n ALA 28 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2k1x n ALA 28 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2k1x n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1x n GLY 29 N -0.82 0.70 0.00 0.00 0.00 -1.25 -5.05 105.19 98.77 2k1x n GLY 29 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k1x n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k1x n ASP 30 N 0.00 0.00 -1.17 1.61 8.00 -1.18 -5.03 116.55 118.78 2k1x n ASP 30 Ca 0.00 -1.00 -0.00 0.00 0.71 0.00 0.00 54.79 54.50 2k1x n ASP 30 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2k1x n ASP 30 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k1x n ASN 31 N -2.99 -0.12 -4.54 -2.24 5.15 -1.26 -4.54 115.26 104.72 2k1x n ASN 31 Ca 0.00 -1.06 -0.43 0.00 -0.60 0.00 0.00 54.58 52.49 2k1x n ASN 31 Cb 0.00 0.20 -0.05 0.00 -0.53 0.00 0.00 39.78 39.40 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2k1x n LEU 32 N 0.00 2.54 -3.77 1.20 0.00 -1.25 -2.11 117.00 113.61 2k1x n LEU 32 Ca -0.00 0.04 -0.23 0.00 0.00 0.00 0.00 56.01 55.82 2k1x n LEU 32 Cb 0.04 -1.46 0.02 0.00 0.00 0.00 0.00 43.42 42.02 2k1x n LEU 32 CO 0.02 -0.96 -0.12 -3.20 0.00 0.00 0.00 177.39 173.12 2k1x n ASN 33 N 12.44 -1.22 -2.54 1.96 5.15 -1.26 -4.88 115.26 124.91 2k1x n ASN 33 Ca 0.37 -0.89 -0.07 0.00 -0.60 0.00 0.00 54.58 53.39 2k1x n ASN 33 Cb 0.40 -3.70 0.04 0.00 -0.53 0.00 0.00 39.78 35.99 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k1x n ASP 34 N -3.01 2.55 -3.51 1.20 -0.08 -0.90 -5.00 116.55 107.80 2k1x n ASP 34 Ca -0.29 -2.55 -0.25 0.00 -1.51 0.00 0.00 54.79 50.19 2k1x n ASP 34 Cb 0.68 -0.43 -0.14 0.00 2.34 0.00 0.00 41.12 43.56 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2k1x s LYS 35 N -3.65 0.20 -0.28 -0.67 2.47 -1.26 -4.32 119.74 112.23 2k1x s LYS 35 Ca 0.34 -0.29 0.01 0.00 -1.56 0.00 0.00 55.97 54.47 2k1x s LYS 35 Cb 0.35 -1.16 0.16 0.00 -1.46 0.00 0.00 37.83 35.72 2k1x s LYS 35 CO -0.02 -0.93 0.43 0.96 0.16 0.00 0.00 175.35 175.96 2k1x s ILE 36 N 2.19 -0.69 0.00 5.43 -4.36 -1.26 -4.76 121.20 117.75 2k1x s ILE 36 Ca 0.08 -0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 2k1x s ILE 36 Cb -0.15 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.61 2k1x s ILE 36 CO -0.29 -0.18 0.00 -1.54 0.24 0.00 0.00 174.94 173.17 2k1x n SER 37 N 5.37 0.00 -4.60 4.36 3.41 -1.26 -4.32 113.62 116.58 2k1x n SER 37 Ca -0.00 -0.68 -0.30 0.00 -0.26 0.00 0.00 58.87 57.62 2k1x n SER 37 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 2k1x n SER 37 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1x s SER 38 N -0.03 4.56 -0.11 4.04 0.01 -1.08 -3.38 113.70 117.70 2k1x s SER 38 Ca 0.00 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.00 2k1x s SER 38 Cb 0.00 -0.96 0.01 0.00 0.21 0.00 0.00 66.02 65.27 2k1x s SER 38 CO 0.00 0.20 -0.22 -0.63 0.41 0.00 0.00 173.24 173.00 2k1x s ILE 39 N -1.18 1.97 -0.05 1.44 1.09 0.37 -2.26 121.20 122.59 2k1x s ILE 39 Ca 0.21 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.85 2k1x s ILE 39 Cb -0.11 -1.73 0.00 0.00 -1.06 0.00 0.00 42.46 39.57 2k1x s ILE 39 CO 0.13 0.54 -0.16 -0.75 -0.10 0.00 0.00 174.94 174.60 2k1x s LYS 40 N 0.58 1.80 -0.05 2.79 2.20 -0.99 -1.63 119.74 124.45 2k1x s LYS 40 Ca -0.13 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 2k1x s LYS 40 Cb -0.17 -1.52 0.02 0.00 -1.51 0.00 0.00 37.83 34.65 2k1x s LYS 40 CO 0.04 0.16 0.13 0.54 -0.36 0.00 0.00 175.35 175.86 2k1x s VAL 41 N 0.28 -0.00 -0.27 4.02 0.11 -1.22 -3.45 120.40 119.85 2k1x s VAL 41 Ca -0.09 0.02 0.21 0.00 -2.93 0.00 0.00 61.98 59.20 2k1x s VAL 41 Cb -0.13 -0.19 0.49 0.00 -1.53 0.00 0.00 36.38 35.02 2k1x s VAL 41 CO 0.03 0.01 1.17 0.29 -3.33 0.00 0.00 175.10 173.27 2k1x n LYS 42 N 3.13 1.67 -3.65 1.54 4.76 -1.26 -2.71 118.16 121.64 2k1x n LYS 42 Ca -0.14 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 52.12 2k1x n LYS 42 Cb 0.58 -1.32 -0.07 0.00 -1.84 0.00 0.00 35.03 32.39 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k1x s SER 43 N -3.42 -0.02 0.61 4.39 0.15 -1.26 -5.01 113.70 109.13 2k1x s SER 43 Ca 0.25 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2k1x s SER 43 Cb 0.34 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2k1x s SER 43 CO -0.05 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2k1x n GLY 44 N 2.28 0.78 3.13 9.45 0.00 -1.26 -4.88 105.19 114.69 2k1x n GLY 44 Ca -0.14 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 0.09 0.43 2.61 -4.23 -1.26 -4.57 115.64 108.71 2k1x s THR 45 Ca 0.00 -0.75 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 2k1x s THR 45 Cb 0.00 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 2k1x s THR 45 CO 0.00 -0.41 0.05 0.26 -0.54 0.00 0.00 174.62 173.98 2k1x s TRP 46 N -1.71 1.98 -0.17 3.99 0.51 -1.22 -4.39 118.94 117.94 2k1x s TRP 46 Ca -0.12 -1.00 0.01 0.00 -2.12 0.00 0.00 56.10 52.87 2k1x s TRP 46 Cb -0.06 -1.46 0.02 0.00 -0.81 0.00 0.00 33.47 31.17 2k1x s TRP 46 CO 0.00 0.08 -0.18 1.03 -0.51 0.00 0.00 176.95 177.37 2k1x s ARG 47 N -3.80 2.77 -0.19 4.98 3.00 -1.24 -2.08 118.95 122.38 2k1x s ARG 47 Ca 0.21 -0.74 -0.06 0.00 0.00 0.00 0.00 55.73 55.14 2k1x s ARG 47 Cb 0.05 -2.40 -0.03 0.00 0.00 0.00 0.00 34.95 32.56 2k1x s ARG 47 CO 0.11 -0.20 0.02 -0.06 0.00 0.00 0.00 175.30 175.17 2k1x s PHE 48 N 1.30 3.09 0.01 -0.53 0.08 0.89 -2.83 117.98 119.98 2k1x s PHE 48 Ca 0.04 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.78 2k1x s PHE 48 Cb -0.13 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 2k1x s PHE 48 CO -0.11 -0.13 -0.01 1.52 -0.10 0.00 0.00 175.22 176.39 2k1x s TYR 49 N 0.82 0.10 -0.71 0.36 -0.85 -0.77 -0.97 117.35 115.32 2k1x s TYR 49 Ca 0.01 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.36 2k1x s TYR 49 Cb -0.14 -0.07 0.18 0.00 0.38 0.00 0.00 41.96 42.31 2k1x s TYR 49 CO 0.02 -0.06 0.56 -1.83 -1.52 0.00 0.00 175.55 172.73 2k1x s GLU 50 N -0.44 2.88 0.00 -3.49 -1.05 -1.26 -0.87 118.70 114.48 2k1x s GLU 50 Ca -0.05 -2.67 0.00 0.00 -0.15 0.00 0.00 54.97 52.10 2k1x s GLU 50 Cb -0.03 -3.89 0.00 0.00 -0.44 0.00 0.00 34.13 29.77 2k1x s GLU 50 CO -0.00 -1.21 0.00 0.66 0.95 0.00 0.00 175.26 175.66 2k1x n TYR 51 N 3.33 0.00 -1.14 4.83 4.01 0.93 -4.37 117.16 124.75 2k1x n TYR 51 Ca 0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.57 2k1x n TYR 51 Cb 0.39 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.62 2k1x n TYR 51 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2k1x s ILE 52 N -3.00 1.87 -0.94 -0.72 -4.36 -1.26 -4.29 121.20 108.50 2k1x s ILE 52 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.31 2k1x s ILE 52 Cb 0.00 -2.49 -0.14 0.00 1.25 0.00 0.00 42.46 41.08 2k1x s ILE 52 CO 0.00 0.00 2.98 -3.20 0.24 0.00 0.00 174.94 174.96 2k1x n ASN 53 N -4.40 6.77 0.00 4.36 2.85 -1.26 -3.26 115.26 120.32 2k1x n ASN 53 Ca 0.08 -2.47 0.00 0.00 -0.11 0.00 0.00 54.58 52.08 2k1x n ASN 53 Cb 0.58 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 40.21 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2k1x n TYR 54 N 3.29 -0.08 -0.61 1.20 4.01 -1.26 -5.16 117.16 118.55 2k1x n TYR 54 Ca 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 2k1x n TYR 54 Cb 0.43 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k1x n GLY 55 N -0.14 4.76 0.00 2.72 0.00 -1.20 -5.17 105.19 106.15 2k1x n GLY 55 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 1.07 3.57 -0.02 0.00 -1.26 -4.50 105.19 104.05 2k1x n GLY 56 Ca 0.00 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 3.05 -0.50 1.61 3.00 -1.26 -4.88 118.95 118.59 2k1x s ARG 57 Ca 0.00 0.85 -0.28 0.00 -1.00 0.00 0.00 55.73 55.29 2k1x s ARG 57 Cb 0.00 -4.25 0.02 0.00 0.00 0.00 0.00 34.95 30.72 2k1x s ARG 57 CO 0.00 -2.21 1.37 -0.47 0.00 0.00 0.00 175.30 173.98 2k1x s TYR 58 N 7.51 2.41 -0.22 5.12 5.04 -1.26 -3.98 117.35 131.96 2k1x s TYR 58 Ca 0.67 0.57 -0.04 0.00 -2.44 0.00 0.00 57.07 55.83 2k1x s TYR 58 Cb -0.15 -4.38 0.07 0.00 0.35 0.00 0.00 41.96 37.85 2k1x s TYR 58 CO 0.26 -1.86 0.09 -0.46 -1.34 0.00 0.00 175.55 172.24 2k1x s TRP 59 N 5.58 0.54 0.09 4.97 -0.00 -0.15 -5.00 118.94 124.97 2k1x s TRP 59 Ca 0.54 -0.71 -0.19 0.00 -0.00 0.00 0.00 56.10 55.74 2k1x s TRP 59 Cb -0.11 -0.91 -0.07 0.00 -0.00 0.00 0.00 33.47 32.38 2k1x s TRP 59 CO 0.29 -0.65 0.59 0.16 -0.00 0.00 0.00 176.95 177.33 2k1x s ASP 60 N 2.02 7.07 0.20 5.86 1.47 -1.26 -0.08 116.67 131.95 2k1x s ASP 60 Ca 0.04 1.28 0.03 0.00 1.18 0.00 0.00 52.55 55.08 2k1x s ASP 60 Cb -0.16 -2.37 -0.03 0.00 -0.34 0.00 0.00 42.92 40.02 2k1x s ASP 60 CO -0.18 0.25 0.34 -1.48 0.68 0.00 0.00 175.17 174.78 2k1x s LEU 61 N -1.21 4.30 0.00 2.11 2.34 -0.88 -4.92 118.68 120.43 2k1x s LEU 61 Ca 0.31 0.18 0.01 0.00 0.06 0.00 0.00 54.13 54.69 2k1x s LEU 61 Cb -0.19 -2.95 -0.01 0.00 -0.56 0.00 0.00 46.19 42.48 2k1x s LEU 61 CO 0.20 -0.02 0.05 0.61 -1.06 0.00 0.00 176.35 176.13 2k1x n GLY 62 N -0.91 3.80 3.49 -3.48 0.00 -1.26 -3.37 105.19 103.46 2k1x n GLY 62 Ca -0.07 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.30 0.37 0.00 1.61 -0.02 -1.26 -4.74 135.00 130.66 2k1x n PRO 63 Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2k1x n PRO 63 Cb 0.20 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 6.45 3.35 3.44 -1.23 0.00 -1.10 -5.06 105.19 111.04 2k1x n GLY 64 Ca 0.55 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.08 1.75 0.15 1.61 -6.30 -1.26 -3.43 118.70 109.14 2k1x s GLU 65 Ca 0.00 -1.17 -0.23 0.00 -2.50 0.00 0.00 54.97 51.07 2k1x s GLU 65 Cb 0.00 -2.06 0.07 0.00 0.00 0.00 0.00 34.13 32.14 2k1x s GLU 65 CO 0.00 0.49 0.61 1.52 0.02 0.00 0.00 175.26 177.90 2k1x s TYR 66 N -1.03 -0.53 -0.80 5.30 -0.85 -0.64 -5.02 117.35 113.77 2k1x s TYR 66 Ca 0.15 0.32 0.02 0.00 -0.52 0.00 0.00 57.07 57.04 2k1x s TYR 66 Cb -0.10 0.56 0.20 0.00 0.38 0.00 0.00 41.96 42.99 2k1x s TYR 66 CO 0.07 -0.84 0.64 -1.54 -1.52 0.00 0.00 175.55 172.36 2k1x s SER 67 N -2.74 5.43 -1.11 -0.18 1.04 -1.26 -0.47 113.70 114.40 2k1x s SER 67 Ca 0.01 -3.79 -0.18 0.00 0.48 0.00 0.00 55.95 52.47 2k1x s SER 67 Cb -0.01 -1.78 0.12 0.00 0.10 0.00 0.00 66.02 64.45 2k1x s SER 67 CO -0.13 -0.13 1.40 -0.44 0.98 0.00 0.00 173.24 174.92 2k1x s SER 68 N -0.79 6.80 0.00 7.02 0.01 -1.22 -4.74 113.70 120.79 2k1x s SER 68 Ca 0.26 -2.36 0.26 0.00 1.31 0.00 0.00 55.95 55.43 2k1x s SER 68 Cb -0.06 -2.46 0.72 0.00 0.21 0.00 0.00 66.02 64.43 2k1x s SER 68 CO -0.14 -1.04 1.54 1.33 0.41 0.00 0.00 173.24 175.33 2k1x n VAL 69 N 5.58 0.00 -2.72 3.43 0.24 -1.26 -4.18 118.33 119.41 2k1x n VAL 69 Ca 0.35 -0.09 -0.08 0.00 -2.04 0.00 0.00 64.34 62.47 2k1x n VAL 69 Cb 0.47 0.33 0.08 0.00 -1.47 0.00 0.00 33.84 33.25 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 -0.89 0.83 0.00 7.34 0.28 -1.26 -4.71 120.64 122.24 2k1x n GLU 70 Ca 0.11 -1.70 0.00 0.00 -0.16 0.00 0.00 57.16 55.41 2k1x n GLU 70 Cb 0.34 -0.99 0.00 0.00 1.43 0.00 0.00 31.44 32.22 2k1x n GLU 70 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k1x n SER 71 N 0.69 0.00 -0.19 -1.84 7.64 -1.26 -4.95 113.62 113.72 2k1x n SER 71 Ca 0.05 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.93 2k1x n SER 71 Cb 0.69 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.98 2k1x n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1x h ALA 72 N 0.00 0.60 0.00 -0.43 0.00 -1.93 -3.41 119.26 114.09 2k1x h ALA 72 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k1x h ALA 72 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k1x h ALA 72 CO 0.00 -0.37 -0.01 0.41 0.00 0.00 0.00 179.25 179.28 2k1x n GLY 73 N -1.34 -0.74 2.30 0.00 0.00 -1.26 -4.83 105.19 99.33 2k1x n GLY 73 Ca 0.08 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2k1x n GLY 73 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k1x n ILE 74 N -0.15 0.44 0.00 -0.61 -0.00 -1.26 -4.72 119.36 113.06 2k1x n ILE 74 Ca -0.03 -4.53 0.00 0.00 -0.00 0.00 0.00 62.75 58.20 2k1x n ILE 74 Cb 0.54 -1.68 0.00 0.00 -0.00 0.00 0.00 39.64 38.49 2k1x n ILE 74 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2k1x n PRO 75 N 0.96 0.00 0.00 6.28 -0.04 -1.26 -4.46 135.00 136.48 2k1x n PRO 75 Ca 0.25 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 2k1x n PRO 75 Cb 0.51 -0.93 0.34 0.00 -0.04 0.00 0.00 33.50 33.37 2k1x n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k1x n ASP 76 N -1.98 2.06 -1.42 3.54 -0.08 -1.26 -5.00 116.55 112.41 2k1x n ASP 76 Ca 0.00 -1.65 0.00 0.00 -1.51 0.00 0.00 54.79 51.63 2k1x n ASP 76 Cb 0.00 0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.49 2k1x n ASP 76 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k1x n ASN 77 N 0.56 -1.89 -0.99 1.67 3.02 -1.26 -4.90 115.26 111.46 2k1x n ASN 77 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2k1x n ASN 77 Cb 0.45 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 2k1x n ASN 77 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2k1x n SER 78 N -0.02 0.00 -4.81 6.41 7.64 -1.26 -4.33 113.62 117.25 2k1x n SER 78 Ca 0.00 -0.99 -0.33 0.00 1.01 0.00 0.00 58.87 58.56 2k1x n SER 78 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2k1x n SER 78 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k1x s ILE 79 N -2.30 4.03 0.07 0.44 1.01 -1.26 -3.80 121.20 119.39 2k1x s ILE 79 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 2k1x s ILE 79 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.99 2k1x s ILE 79 CO 0.00 -0.48 0.26 -0.55 0.00 0.00 0.00 174.94 174.17 2k1x s SER 80 N -2.64 -0.04 0.10 3.58 0.15 -1.26 -0.05 113.70 113.54 2k1x s SER 80 Ca 0.63 -0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 2k1x s SER 80 Cb -0.14 0.36 0.08 0.00 -1.71 0.00 0.00 66.02 64.61 2k1x s SER 80 CO 0.30 -0.68 0.70 -0.44 1.20 0.00 0.00 173.24 174.32 2k1x s SER 81 N -2.45 -0.51 -0.15 5.45 0.01 -0.05 -3.10 113.70 112.90 2k1x s SER 81 Ca -0.00 0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.17 2k1x s SER 81 Cb 0.02 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.82 2k1x s SER 81 CO -0.07 -0.84 0.39 0.72 0.41 0.00 0.00 173.24 173.84 2k1x s PHE 82 N -3.43 -0.48 -0.22 2.43 -0.71 -1.26 -1.84 117.98 112.46 2k1x s PHE 82 Ca 0.02 1.11 -0.22 0.00 -1.04 0.00 0.00 56.93 56.80 2k1x s PHE 82 Cb -0.01 0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2k1x s PHE 82 CO -0.11 -0.25 0.71 1.03 -1.34 0.00 0.00 175.22 175.26 2k1x s ARG 83 N 0.66 4.19 -0.92 1.99 1.81 -1.13 -4.59 118.95 120.97 2k1x s ARG 83 Ca -0.04 0.75 -0.24 0.00 -1.72 0.00 0.00 55.73 54.48 2k1x s ARG 83 Cb -0.05 -3.61 0.04 0.00 -0.45 0.00 0.00 34.95 30.88 2k1x s ARG 83 CO -0.04 -0.37 1.41 -0.65 -0.68 0.00 0.00 175.30 174.96 2k1x s GLN 84 N 2.36 3.43 0.00 3.54 -0.21 -1.26 -3.73 119.66 123.79 2k1x s GLN 84 Ca 0.31 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.90 2k1x s GLN 84 Cb -0.16 -4.95 0.00 0.00 1.00 0.00 0.00 33.01 28.90 2k1x s GLN 84 CO 0.09 -2.22 0.48 0.44 -2.12 0.00 0.00 175.29 171.96