#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 3.68 -0.39 6.12 3.84 -1.26 -5.05 114.94 121.87 2k1x s ASN 2 Ca 0.00 0.25 0.10 0.00 0.21 0.00 0.00 52.86 53.42 2k1x s ASN 2 Cb 0.00 -0.46 0.39 0.00 -0.55 0.00 0.00 41.25 40.63 2k1x s ASN 2 CO 0.00 -2.36 1.23 0.00 -2.79 0.00 0.00 177.10 173.18 2k1x n ALA 3 N -3.47 1.45 -2.36 1.71 0.00 -1.26 -5.13 120.51 111.45 2k1x n ALA 3 Ca 0.14 -1.74 -0.35 0.00 0.00 0.00 0.00 53.44 51.49 2k1x n ALA 3 Cb 0.60 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.52 3.58 -0.33 0.00 0.00 -1.26 -5.05 121.76 118.18 2k1x s ALA 4 Ca 0.24 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 2k1x s ALA 4 Cb 0.40 -2.52 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 2k1x s ALA 4 CO -0.06 0.46 0.64 -2.00 0.00 0.00 0.00 175.76 174.79 2k1x s GLU 5 N -1.93 3.80 -0.30 0.00 2.12 -1.26 -4.79 118.70 116.34 2k1x s GLU 5 Ca 0.37 0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.86 2k1x s GLU 5 Cb -0.15 -3.76 0.03 0.00 0.26 0.00 0.00 34.13 30.51 2k1x s GLU 5 CO 0.19 -0.65 0.04 0.08 -0.54 0.00 0.00 175.26 174.38 2k1x s VAL 6 N 2.66 3.41 -0.28 3.70 1.01 -1.26 -4.24 120.40 125.40 2k1x s VAL 6 Ca 0.25 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2k1x s VAL 6 Cb -0.15 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.42 2k1x s VAL 6 CO 0.13 -0.04 -0.06 -0.51 0.00 0.00 0.00 175.10 174.62 2k1x s ILE 7 N 1.36 2.55 0.16 2.22 1.10 -1.22 -4.17 121.20 123.19 2k1x s ILE 7 Ca -0.02 -1.52 0.05 0.00 -0.51 0.00 0.00 60.65 58.66 2k1x s ILE 7 Cb -0.19 -2.48 -0.04 0.00 0.15 0.00 0.00 42.46 39.90 2k1x s ILE 7 CO 0.00 -0.06 -0.11 0.68 -2.11 0.00 0.00 174.94 173.34 2k1x s VAL 8 N 1.17 1.26 0.04 4.00 -7.23 -1.23 -2.37 120.40 116.04 2k1x s VAL 8 Ca -0.07 -2.08 0.05 0.00 -1.81 0.00 0.00 61.98 58.07 2k1x s VAL 8 Cb -0.20 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2k1x s VAL 8 CO -0.03 -0.72 -0.09 -0.31 -0.31 0.00 0.00 175.10 173.64 2k1x s TYR 9 N -3.25 2.80 -0.62 2.82 1.51 -0.83 -3.08 117.35 116.70 2k1x s TYR 9 Ca 0.17 -0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.12 2k1x s TYR 9 Cb 0.02 -1.54 0.47 0.00 -0.11 0.00 0.00 41.96 40.81 2k1x s TYR 9 CO 0.02 0.37 1.98 -1.91 -1.11 0.00 0.00 175.55 174.90 2k1x n GLU 10 N 1.27 2.69 -3.25 -0.62 2.13 0.03 -3.89 120.64 119.00 2k1x n GLU 10 Ca -0.15 -3.31 0.00 0.00 0.66 0.00 0.00 57.16 54.37 2k1x n GLU 10 Cb 0.52 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.96 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 -0.93 0.00 -0.86 4.31 8.25 -1.25 -4.55 115.22 120.18 2k1x n HIS 11 Ca 0.61 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.77 2k1x n HIS 11 Cb 0.78 0.00 0.15 0.00 1.12 0.00 0.00 29.99 32.04 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 -2.83 2.42 -0.67 1.59 1.01 -1.26 -3.13 120.40 117.53 2k1x s VAL 12 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2k1x s VAL 12 Cb 0.00 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 2k1x s VAL 12 CO 0.00 -0.18 3.08 -3.20 0.00 0.00 0.00 175.10 174.80 2k1x n ASN 13 N -4.06 6.76 -0.49 3.32 2.85 -1.26 -3.19 115.26 119.19 2k1x n ASN 13 Ca 0.11 -2.78 -0.01 0.00 -0.11 0.00 0.00 54.58 51.79 2k1x n ASN 13 Cb 0.53 -1.40 -0.01 0.00 1.24 0.00 0.00 39.78 40.14 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2k1x n PHE 14 N 2.22 0.00 0.00 1.20 -1.74 -1.26 -5.00 117.46 112.87 2k1x n PHE 14 Ca 0.55 -0.04 0.00 0.00 -0.56 0.00 0.00 57.45 57.40 2k1x n PHE 14 Cb 0.57 0.26 0.00 0.00 1.52 0.00 0.00 39.48 41.83 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 3.42 4.97 0.00 -1.22 -5.18 105.19 107.18 2k1x n GLY 15 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 2.08 0.22 -0.02 0.00 -1.19 -4.72 107.32 103.70 2k1x s GLY 16 Ca 0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 42.76 2k1x s GLY 16 CO 0.00 -1.75 0.55 -1.59 0.00 0.00 0.00 173.10 170.30 2k1x s LYS 17 N -3.90 3.80 0.04 2.90 0.00 -1.26 -4.91 119.74 116.42 2k1x s LYS 17 Ca 0.35 0.28 0.03 0.00 0.00 0.00 0.00 55.97 56.62 2k1x s LYS 17 Cb 0.07 -2.66 -0.02 0.00 0.00 0.00 0.00 37.83 35.22 2k1x s LYS 17 CO 0.15 0.33 -0.09 -1.54 0.00 0.00 0.00 175.35 174.20 2k1x s SER 18 N -2.33 0.99 -0.10 0.03 1.04 -1.26 -0.79 113.70 111.27 2k1x s SER 18 Ca 0.47 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 2k1x s SER 18 Cb -0.11 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.06 2k1x s SER 18 CO 0.21 -0.16 0.24 0.72 0.98 0.00 0.00 173.24 175.24 2k1x s PHE 19 N -1.25 -0.33 -0.35 5.02 -0.71 -1.18 -5.05 117.98 114.14 2k1x s PHE 19 Ca -0.08 0.78 -0.00 0.00 -1.04 0.00 0.00 56.93 56.59 2k1x s PHE 19 Cb -0.09 0.03 0.12 0.00 -1.21 0.00 0.00 43.02 41.87 2k1x s PHE 19 CO 0.01 -0.24 0.17 0.16 -1.34 0.00 0.00 175.22 173.98 2k1x s ASP 20 N 1.32 3.55 -0.02 1.98 -4.77 -1.26 -3.54 116.67 113.92 2k1x s ASP 20 Ca -0.09 -1.98 -0.27 0.00 -3.30 0.00 0.00 52.55 46.91 2k1x s ASP 20 Cb -0.11 -0.68 0.06 0.00 -1.09 0.00 0.00 42.92 41.10 2k1x s ASP 20 CO -0.08 -0.35 0.61 0.00 0.70 0.00 0.00 175.17 176.04 2k1x s ALA 21 N 1.23 -1.57 -0.46 2.11 0.00 -1.26 -5.00 121.76 116.81 2k1x s ALA 21 Ca 0.14 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 2k1x s ALA 21 Cb -0.20 0.09 0.31 0.00 0.00 0.00 0.00 23.12 23.32 2k1x s ALA 21 CO -0.13 -0.39 2.02 2.41 0.00 0.00 0.00 175.76 179.67 2k1x n THR 22 N 0.85 3.13 -3.64 0.00 -1.04 -1.26 -4.72 114.28 107.60 2k1x n THR 22 Ca -0.19 -2.17 -0.02 0.00 -2.04 0.00 0.00 64.05 59.63 2k1x n THR 22 Cb 0.58 -1.26 -0.02 0.00 -1.82 0.00 0.00 70.33 67.81 2k1x n THR 22 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2k1x s SER 23 N -0.64 -0.02 -1.20 8.00 0.15 -1.26 -4.98 113.70 113.75 2k1x s SER 23 Ca 0.45 -0.00 -0.04 0.00 0.70 0.00 0.00 55.95 57.06 2k1x s SER 23 Cb 0.35 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2k1x s SER 23 CO -0.01 -0.03 0.24 -0.67 1.20 0.00 0.00 173.24 173.97 2k1x n ASP 24 N -0.02 -4.12 -4.03 5.45 2.03 -1.26 -4.95 116.55 109.65 2k1x n ASP 24 Ca 0.05 -0.06 -0.19 0.00 0.52 0.00 0.00 54.79 55.10 2k1x n ASP 24 Cb 0.56 -3.45 -0.15 0.00 -0.72 0.00 0.00 41.12 37.37 2k1x n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2k1x s GLN 25 N -5.44 0.84 0.00 -0.67 0.74 -1.26 -5.10 119.66 108.77 2k1x s GLN 25 Ca 0.17 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.24 2k1x s GLN 25 Cb -0.09 -0.80 0.00 0.00 1.10 0.00 0.00 33.01 33.22 2k1x s GLN 25 CO 0.21 0.19 0.00 -0.35 -0.55 0.00 0.00 175.29 174.79 2k1x n PRO 26 N 2.95 0.16 0.00 1.67 -0.04 -1.26 -5.09 135.00 133.39 2k1x n PRO 26 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2k1x n PRO 26 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 5.00 0.76 3.51 0.55 0.00 -1.26 -5.08 105.19 108.68 2k1x n GLY 27 Ca 0.00 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 2k1x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1x n ALA 28 N -3.00 0.76 -3.21 4.61 0.00 -1.25 -4.76 120.51 113.66 2k1x n ALA 28 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 53.44 52.97 2k1x n ALA 28 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 16.67 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 6.27 0.39 3.84 0.00 0.00 -1.26 -4.91 105.19 109.53 2k1x n GLY 29 Ca 0.46 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.60 -0.00 0.00 1.61 -1.08 -1.26 -4.89 116.67 109.44 2k1x s ASP 30 Ca 0.07 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 2k1x s ASP 30 Cb -0.00 0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 2k1x s ASP 30 CO -0.00 -0.07 0.00 0.59 0.52 0.00 0.00 175.17 176.20 2k1x n ASN 31 N -0.81 0.00 -3.11 -0.34 4.13 -1.26 -5.10 115.26 108.78 2k1x n ASN 31 Ca -0.00 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.30 2k1x n ASN 31 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2k1x s LEU 32 N -0.91 -0.61 -2.08 3.41 2.96 -1.26 -4.90 118.68 115.28 2k1x s LEU 32 Ca 0.00 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2k1x s LEU 32 Cb 0.00 1.29 0.00 0.00 0.50 0.00 0.00 46.19 47.98 2k1x s LEU 32 CO 0.00 -0.11 0.00 0.59 -1.32 0.00 0.00 176.35 175.51 2k1x n ASN 33 N 4.96 -5.53 -2.27 3.68 3.02 -1.25 -4.85 115.26 113.03 2k1x n ASN 33 Ca 0.08 0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 54.79 2k1x n ASN 33 Cb 0.58 -4.76 0.07 0.00 -0.61 0.00 0.00 39.78 35.06 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k1x n ASP 34 N -1.33 7.14 -4.53 6.41 -0.08 -1.26 -4.95 116.55 117.95 2k1x n ASP 34 Ca -0.20 -3.78 -0.42 0.00 -1.51 0.00 0.00 54.79 48.88 2k1x n ASP 34 Cb 0.67 -0.86 -0.03 0.00 2.34 0.00 0.00 41.12 43.24 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 -3.78 3.28 -0.30 -0.67 2.47 -1.26 -4.89 119.74 114.60 2k1x s LYS 35 Ca 0.62 -0.27 -0.14 0.00 -1.56 0.00 0.00 55.97 54.63 2k1x s LYS 35 Cb 0.49 -4.12 0.18 0.00 -1.46 0.00 0.00 37.83 32.92 2k1x s LYS 35 CO 0.00 -1.79 1.12 -1.50 0.16 0.00 0.00 175.35 173.34 2k1x s ILE 36 N 4.71 -0.16 0.00 5.43 2.07 -1.26 -4.90 121.20 127.09 2k1x s ILE 36 Ca 0.33 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.57 2k1x s ILE 36 Cb -0.11 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.11 2k1x s ILE 36 CO 0.17 0.00 0.00 -1.54 -1.91 0.00 0.00 174.94 171.66 2k1x n SER 37 N 5.17 0.00 -4.27 4.50 3.41 -1.25 -3.90 113.62 117.28 2k1x n SER 37 Ca 0.05 -0.42 -0.24 0.00 -0.26 0.00 0.00 58.87 58.01 2k1x n SER 37 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.75 2.47 -0.09 4.04 0.15 -1.18 -3.45 113.70 116.39 2k1x s SER 38 Ca 0.00 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 56.03 2k1x s SER 38 Cb 0.00 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2k1x s SER 38 CO 0.00 0.06 -0.23 -0.63 1.20 0.00 0.00 173.24 173.64 2k1x s ILE 39 N -1.12 1.96 0.01 6.45 1.09 -0.04 -1.97 121.20 127.58 2k1x s ILE 39 Ca 0.06 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.67 2k1x s ILE 39 Cb -0.10 -1.69 -0.01 0.00 -1.06 0.00 0.00 42.46 39.60 2k1x s ILE 39 CO 0.04 0.54 -0.10 -0.75 -0.10 0.00 0.00 174.94 174.57 2k1x s LYS 40 N 0.25 0.77 -0.08 2.79 2.20 -1.00 -2.25 119.74 122.44 2k1x s LYS 40 Ca -0.15 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 2k1x s LYS 40 Cb -0.17 -0.74 0.04 0.00 -1.51 0.00 0.00 37.83 35.46 2k1x s LYS 40 CO 0.07 0.19 0.16 0.54 -0.36 0.00 0.00 175.35 175.96 2k1x s VAL 41 N -0.48 -0.13 -0.29 4.02 0.11 -1.22 -3.44 120.40 118.97 2k1x s VAL 41 Ca 0.02 0.24 0.14 0.00 -2.93 0.00 0.00 61.98 59.45 2k1x s VAL 41 Cb -0.05 -0.27 0.48 0.00 -1.53 0.00 0.00 36.38 35.00 2k1x s VAL 41 CO 0.00 0.10 1.14 1.17 -3.33 0.00 0.00 175.10 174.18 2k1x n LYS 42 N 4.61 2.66 -3.15 1.54 3.00 -1.26 -3.76 118.16 121.80 2k1x n LYS 42 Ca -0.19 -3.86 0.06 0.00 -0.00 0.00 0.00 58.31 54.32 2k1x n LYS 42 Cb 0.51 -1.93 -0.02 0.00 0.00 0.00 0.00 35.03 33.58 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k1x s SER 43 N -3.66 -0.06 0.69 3.14 0.15 -1.26 -4.88 113.70 107.82 2k1x s SER 43 Ca 0.39 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2k1x s SER 43 Cb 0.37 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 2k1x s SER 43 CO -0.01 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2k1x n GLY 44 N 5.42 0.53 3.25 9.45 0.00 -1.26 -4.57 105.19 118.02 2k1x n GLY 44 Ca -0.09 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 0.07 0.49 2.61 -4.23 -1.23 -4.62 115.64 108.73 2k1x s THR 45 Ca 0.00 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 2k1x s THR 45 Cb 0.00 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.98 2k1x s THR 45 CO 0.00 -0.33 0.05 0.26 -0.54 0.00 0.00 174.62 174.06 2k1x s TRP 46 N -2.18 1.80 -0.04 3.99 0.51 -1.21 -4.34 118.94 117.48 2k1x s TRP 46 Ca -0.08 -1.10 0.05 0.00 -2.12 0.00 0.00 56.10 52.86 2k1x s TRP 46 Cb -0.02 -1.45 -0.01 0.00 -0.81 0.00 0.00 33.47 31.19 2k1x s TRP 46 CO -0.01 0.03 -0.19 1.03 -0.51 0.00 0.00 176.95 177.30 2k1x s ARG 47 N -3.82 1.92 -0.10 4.98 3.00 -1.25 -2.10 118.95 121.59 2k1x s ARG 47 Ca 0.10 -0.69 0.04 0.00 0.00 0.00 0.00 55.73 55.18 2k1x s ARG 47 Cb 0.01 -1.69 0.00 0.00 0.00 0.00 0.00 34.95 33.27 2k1x s ARG 47 CO 0.06 0.31 -0.24 -0.06 0.00 0.00 0.00 175.30 175.37 2k1x s PHE 48 N -0.09 2.55 -0.03 -0.53 0.08 0.50 -1.34 117.98 119.12 2k1x s PHE 48 Ca -0.02 -1.05 -0.01 0.00 0.12 0.00 0.00 56.93 55.97 2k1x s PHE 48 Cb -0.11 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 2k1x s PHE 48 CO 0.02 -0.42 0.04 1.52 -0.10 0.00 0.00 175.22 176.28 2k1x s TYR 49 N 0.36 0.08 -0.83 0.36 1.13 -0.90 -0.95 117.35 116.60 2k1x s TYR 49 Ca -0.19 0.16 -0.12 0.00 -1.41 0.00 0.00 57.07 55.51 2k1x s TYR 49 Cb -0.18 -0.35 0.22 0.00 -1.10 0.00 0.00 41.96 40.54 2k1x s TYR 49 CO 0.09 -0.13 0.76 -2.00 -2.51 0.00 0.00 175.55 171.75 2k1x s GLU 50 N 1.49 3.52 0.00 -3.49 -6.30 -1.26 -1.92 118.70 110.74 2k1x s GLU 50 Ca -0.04 -2.56 0.00 0.00 -2.50 0.00 0.00 54.97 49.88 2k1x s GLU 50 Cb -0.13 -4.34 0.00 0.00 0.00 0.00 0.00 34.13 29.66 2k1x s GLU 50 CO -0.03 -1.27 0.00 0.66 0.02 0.00 0.00 175.26 174.64 2k1x n TYR 51 N 3.76 0.00 -0.63 5.30 4.01 -0.44 -4.40 117.16 124.76 2k1x n TYR 51 Ca 0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.58 2k1x n TYR 51 Cb 0.45 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.67 2k1x n TYR 51 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2k1x n ILE 52 N 2.08 0.00 -0.95 -0.72 3.06 -1.26 -2.89 119.36 118.68 2k1x n ILE 52 Ca 0.00 -0.17 -0.21 0.00 -2.50 0.00 0.00 62.75 59.87 2k1x n ILE 52 Cb 0.00 -0.93 -0.08 0.00 0.54 0.00 0.00 39.64 39.17 2k1x n ILE 52 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2k1x n ASN 53 N -3.96 5.78 0.00 9.51 2.85 -1.26 -3.03 115.26 125.16 2k1x n ASN 53 Ca 0.08 -2.38 0.00 0.00 -0.11 0.00 0.00 54.58 52.17 2k1x n ASN 53 Cb 0.53 -1.26 0.00 0.00 1.24 0.00 0.00 39.78 40.29 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 3.26 0.00 0.00 1.20 4.01 -1.26 -5.15 117.16 119.21 2k1x n TYR 54 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 2k1x n TYR 54 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 -0.49 5.08 0.00 2.72 0.00 -1.17 -5.17 105.19 106.16 2k1x n GLY 55 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.93 3.60 -0.02 0.00 -1.26 -4.55 105.19 103.88 2k1x n GLY 56 Ca 0.00 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 2k1x n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1x s ARG 57 N -1.26 3.42 -0.48 1.61 1.04 -1.26 -4.89 118.95 117.12 2k1x s ARG 57 Ca 0.00 1.16 -0.29 0.00 -1.04 0.00 0.00 55.73 55.57 2k1x s ARG 57 Cb 0.00 -4.13 0.02 0.00 -2.04 0.00 0.00 34.95 28.80 2k1x s ARG 57 CO 0.00 -1.76 1.29 -0.47 -0.04 0.00 0.00 175.30 174.32 2k1x s TYR 58 N 6.30 2.55 -0.22 5.89 5.04 -1.26 -3.98 117.35 131.67 2k1x s TYR 58 Ca 0.71 0.62 -0.04 0.00 -2.44 0.00 0.00 57.07 55.92 2k1x s TYR 58 Cb -0.18 -4.40 0.07 0.00 0.35 0.00 0.00 41.96 37.80 2k1x s TYR 58 CO 0.33 -1.69 0.09 -0.46 -1.34 0.00 0.00 175.55 172.48 2k1x s TRP 59 N 5.15 0.50 0.40 4.97 -0.00 -0.12 -4.99 118.94 124.86 2k1x s TRP 59 Ca 0.53 -0.67 -0.05 0.00 -0.00 0.00 0.00 56.10 55.90 2k1x s TRP 59 Cb -0.10 -0.89 -0.05 0.00 -0.00 0.00 0.00 33.47 32.44 2k1x s TRP 59 CO 0.30 -0.64 0.70 0.16 -0.00 0.00 0.00 176.95 177.47 2k1x s ASP 60 N 2.03 6.36 0.12 5.86 1.47 -1.26 -0.37 116.67 130.89 2k1x s ASP 60 Ca 0.04 0.86 0.10 0.00 1.18 0.00 0.00 52.55 54.73 2k1x s ASP 60 Cb -0.16 -2.21 -0.04 0.00 -0.34 0.00 0.00 42.92 40.17 2k1x s ASP 60 CO -0.17 -0.42 -0.23 -1.48 0.68 0.00 0.00 175.17 173.55 2k1x s LEU 61 N -4.23 2.47 0.00 2.11 2.34 -0.89 -4.91 118.68 115.57 2k1x s LEU 61 Ca 0.46 -0.67 0.00 0.00 0.06 0.00 0.00 54.13 53.99 2k1x s LEU 61 Cb -0.10 -1.35 0.00 0.00 -0.56 0.00 0.00 46.19 44.18 2k1x s LEU 61 CO 0.37 0.18 0.00 0.61 -1.06 0.00 0.00 176.35 176.46 2k1x n GLY 62 N 0.91 5.04 3.49 -3.48 0.00 -1.26 -3.29 105.19 106.60 2k1x n GLY 62 Ca -0.17 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 0.00 0.38 0.00 1.61 -0.02 -1.26 -4.71 135.00 130.99 2k1x n PRO 63 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2k1x n PRO 63 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 6.43 2.59 3.03 -1.23 0.00 -1.25 -5.07 105.19 109.69 2k1x n GLY 64 Ca 0.55 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 0.53 0.08 1.61 -6.30 -1.26 -3.46 118.70 107.89 2k1x s GLU 65 Ca 0.00 -0.54 -0.19 0.00 -2.50 0.00 0.00 54.97 51.74 2k1x s GLU 65 Cb 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 34.13 33.78 2k1x s GLU 65 CO 0.00 0.09 0.45 1.52 0.02 0.00 0.00 175.26 177.34 2k1x s TYR 66 N -0.86 -0.31 -0.48 5.30 1.13 -0.95 -5.00 117.35 116.17 2k1x s TYR 66 Ca -0.04 0.21 0.03 0.00 -1.41 0.00 0.00 57.07 55.85 2k1x s TYR 66 Cb -0.07 0.29 0.15 0.00 -1.10 0.00 0.00 41.96 41.23 2k1x s TYR 66 CO 0.00 -0.65 0.31 -1.54 -2.51 0.00 0.00 175.55 171.16 2k1x s SER 67 N -2.28 3.38 0.38 -0.18 1.04 -1.26 -0.86 113.70 113.91 2k1x s SER 67 Ca -0.02 -2.94 -0.12 0.00 0.48 0.00 0.00 55.95 53.34 2k1x s SER 67 Cb 0.00 -1.00 -0.07 0.00 0.10 0.00 0.00 66.02 65.05 2k1x s SER 67 CO -0.06 -0.21 0.76 -0.55 0.98 0.00 0.00 173.24 174.16 2k1x s SER 68 N -0.04 6.60 0.00 7.02 0.15 -1.22 -4.94 113.70 121.27 2k1x s SER 68 Ca 0.22 1.18 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2k1x s SER 68 Cb -0.14 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2k1x s SER 68 CO -0.07 -0.34 0.66 1.33 1.20 0.00 0.00 173.24 176.02 2k1x n VAL 69 N -1.00 0.00 -2.52 4.45 0.24 -1.26 -3.92 118.33 114.32 2k1x n VAL 69 Ca 0.03 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2k1x n VAL 69 Cb 0.54 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.09 0.00 7.34 0.28 -1.26 -5.01 120.64 122.07 2k1x n GLU 70 Ca 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2k1x n GLU 70 Cb 0.58 0.03 0.00 0.00 1.43 0.00 0.00 31.44 33.48 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 -0.14 0.00 0.11 -1.84 2.88 -1.26 -4.98 113.62 108.39 2k1x n SER 71 Ca -0.04 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.35 2k1x n SER 71 Cb 0.53 0.24 -0.09 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.96 0.00 -1.46 0.00 -1.95 -3.46 119.26 111.43 2k1x h ALA 72 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k1x h ALA 72 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k1x h ALA 72 CO 0.00 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 178.59 2k1x n GLY 73 N -1.43 0.13 2.75 0.00 0.00 -1.26 -5.03 105.19 100.35 2k1x n GLY 73 Ca -0.08 0.67 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 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 2.67 -0.44 -0.61 2.08 -1.26 -4.97 119.36 116.83 2k1x n ILE 74 Ca 0.00 -5.20 0.00 0.00 0.56 0.00 0.00 62.75 58.11 2k1x n ILE 74 Cb 0.00 -2.18 0.00 0.00 -0.75 0.00 0.00 39.64 36.71 2k1x n ILE 74 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2k1x n PRO 75 N 1.48 0.22 0.00 0.38 -0.04 -1.26 -4.99 135.00 130.78 2k1x n PRO 75 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2k1x n PRO 75 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 2k1x n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k1x n ASP 76 N -1.66 0.00 -0.86 3.54 8.00 -1.26 -4.81 116.55 119.50 2k1x n ASP 76 Ca 0.00 0.76 -0.00 0.00 0.71 0.00 0.00 54.79 56.26 2k1x n ASP 76 Cb 0.00 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.84 2k1x n ASP 76 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2k1x n ASN 77 N -1.60 -0.03 0.00 -2.24 0.23 -1.26 -3.93 115.26 106.43 2k1x n ASN 77 Ca 0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 54.58 53.66 2k1x n ASN 77 Cb 0.00 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 2k1x n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2k1x n SER 78 N -0.02 0.00 -2.63 0.53 3.41 -1.26 -4.49 113.62 109.17 2k1x n SER 78 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.52 2k1x n SER 78 Cb 0.35 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2k1x n SER 78 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2k1x n ILE 79 N 0.22 -6.57 -3.64 -1.33 2.08 -1.26 -4.92 119.36 103.95 2k1x n ILE 79 Ca 0.00 -0.74 -0.09 0.00 0.56 0.00 0.00 62.75 62.48 2k1x n ILE 79 Cb 0.00 -5.43 -0.07 0.00 -0.75 0.00 0.00 39.64 33.39 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2k1x s SER 80 N -3.13 -0.56 0.23 4.38 1.04 -1.14 -1.32 113.70 113.20 2k1x s SER 80 Ca 0.24 1.03 -0.20 0.00 0.48 0.00 0.00 55.95 57.50 2k1x s SER 80 Cb -0.03 1.08 0.03 0.00 0.10 0.00 0.00 66.02 67.20 2k1x s SER 80 CO 0.49 -0.17 0.64 -0.94 0.98 0.00 0.00 173.24 174.23 2k1x s SER 81 N 0.52 -0.31 -0.12 7.02 1.04 -0.81 -4.28 113.70 116.76 2k1x s SER 81 Ca -0.00 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 2k1x s SER 81 Cb -0.05 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.77 2k1x s SER 81 CO -0.07 -1.19 0.39 0.72 0.98 0.00 0.00 173.24 174.07 2k1x s PHE 82 N -3.88 -0.39 0.60 5.02 -0.71 -1.26 -2.12 117.98 115.24 2k1x s PHE 82 Ca 0.09 0.90 -0.12 0.00 -1.04 0.00 0.00 56.93 56.77 2k1x s PHE 82 Cb -0.04 0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.88 2k1x s PHE 82 CO 0.01 -0.26 1.02 1.03 -1.34 0.00 0.00 175.22 175.68 2k1x s ARG 83 N -0.17 3.65 -0.41 1.99 1.81 -0.45 -3.90 118.95 121.46 2k1x s ARG 83 Ca -0.03 0.79 0.02 0.00 -1.72 0.00 0.00 55.73 54.79 2k1x s ARG 83 Cb -0.03 -2.09 0.13 0.00 -0.45 0.00 0.00 34.95 32.51 2k1x s ARG 83 CO 0.02 -0.53 0.20 -0.65 -0.68 0.00 0.00 175.30 173.66 2k1x s GLN 84 N -4.98 1.26 0.00 3.54 -0.21 -1.26 -3.84 119.66 114.17 2k1x s GLN 84 Ca 0.56 -1.88 0.00 0.00 0.02 0.00 0.00 55.36 54.06 2k1x s GLN 84 Cb -0.11 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.48 2k1x s GLN 84 CO 0.50 -1.11 0.35 0.44 -2.12 0.00 0.00 175.29 173.35