#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 0.03 -0.30 7.83 -0.87 -1.26 -5.15 114.94 115.22 2k1x s ASN 2 Ca 0.00 -1.08 0.01 0.00 -1.57 0.00 0.00 52.86 50.22 2k1x s ASN 2 Cb 0.00 0.53 0.19 0.00 -0.02 0.00 0.00 41.25 41.96 2k1x s ASN 2 CO 0.00 -1.07 0.62 0.00 -2.57 0.00 0.00 177.10 174.08 2k1x s ALA 3 N -4.00 -2.38 -0.28 0.60 0.00 -1.26 -5.15 121.76 109.29 2k1x s ALA 3 Ca 0.27 1.54 -0.18 0.00 0.00 0.00 0.00 51.96 53.59 2k1x s ALA 3 Cb 0.01 -2.33 0.09 0.00 0.00 0.00 0.00 23.12 20.90 2k1x s ALA 3 CO 0.10 -1.53 0.76 0.00 0.00 0.00 0.00 175.76 175.09 2k1x s ALA 4 N 2.85 -1.92 -0.34 0.00 0.00 -1.26 -5.13 121.76 115.95 2k1x s ALA 4 Ca 0.16 2.28 -0.22 0.00 0.00 0.00 0.00 51.96 54.19 2k1x s ALA 4 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2k1x s ALA 4 CO -0.23 -0.36 0.72 -1.83 0.00 0.00 0.00 175.76 174.07 2k1x s GLU 5 N 1.26 3.79 -0.07 0.00 4.04 -1.26 -4.98 118.70 121.48 2k1x s GLU 5 Ca -0.07 0.29 0.02 0.00 0.04 0.00 0.00 54.97 55.24 2k1x s GLU 5 Cb -0.05 -3.78 -0.03 0.00 0.02 0.00 0.00 34.13 30.29 2k1x s GLU 5 CO -0.14 -0.75 -0.10 0.14 -1.84 0.00 0.00 175.26 172.57 2k1x s VAL 6 N 2.90 3.41 -0.36 1.83 -7.23 -1.26 -4.84 120.40 114.85 2k1x s VAL 6 Ca 0.29 -0.58 -0.10 0.00 -1.81 0.00 0.00 61.98 59.77 2k1x s VAL 6 Cb -0.14 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.45 2k1x s VAL 6 CO 0.15 0.58 0.18 -0.51 -0.31 0.00 0.00 175.10 175.19 2k1x s ILE 7 N -0.62 4.44 0.22 -0.62 1.10 -1.22 -4.77 121.20 119.72 2k1x s ILE 7 Ca 0.09 -0.84 0.04 0.00 -0.51 0.00 0.00 60.65 59.42 2k1x s ILE 7 Cb -0.11 -3.45 -0.05 0.00 0.15 0.00 0.00 42.46 39.00 2k1x s ILE 7 CO 0.01 -0.18 -0.01 0.68 -2.11 0.00 0.00 174.94 173.33 2k1x s VAL 8 N 1.54 1.04 0.01 4.00 -7.23 -1.24 -2.42 120.40 116.09 2k1x s VAL 8 Ca 0.02 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.22 2k1x s VAL 8 Cb -0.19 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2k1x s VAL 8 CO 0.06 -0.37 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.96 2k1x s TYR 9 N -3.41 2.49 -0.59 2.82 1.51 -1.14 -1.01 117.35 118.02 2k1x s TYR 9 Ca 0.27 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 56.03 2k1x s TYR 9 Cb 0.05 -1.49 0.50 0.00 -0.11 0.00 0.00 41.96 40.91 2k1x s TYR 9 CO 0.08 0.15 1.95 -1.91 -1.11 0.00 0.00 175.55 174.71 2k1x n GLU 10 N 1.96 2.63 -3.30 -0.62 2.13 0.96 -3.74 120.64 120.66 2k1x n GLU 10 Ca -0.16 -3.28 0.00 0.00 0.66 0.00 0.00 57.16 54.37 2k1x n GLU 10 Cb 0.52 -2.26 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 -0.96 0.00 -0.91 4.31 8.25 -1.26 -4.55 115.22 120.11 2k1x n HIS 11 Ca 0.61 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.76 2k1x n HIS 11 Cb 0.89 0.00 0.14 0.00 1.12 0.00 0.00 29.99 32.14 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 2.54 -0.81 1.59 1.01 -1.26 -3.07 120.40 117.44 2k1x s VAL 12 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 2k1x s VAL 12 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2k1x s VAL 12 CO 0.00 -0.23 2.82 -0.46 0.00 0.00 0.00 175.10 177.24 2k1x n ASN 13 N -3.99 7.07 -0.48 3.32 6.94 -1.26 -3.44 115.26 123.41 2k1x n ASN 13 Ca 0.10 -2.98 -0.01 0.00 -0.02 0.00 0.00 54.58 51.68 2k1x n ASN 13 Cb 0.53 -1.35 -0.01 0.00 -2.36 0.00 0.00 39.78 36.59 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2k1x n PHE 14 N 1.78 0.00 0.00 -2.53 -1.74 -1.26 -5.01 117.46 108.69 2k1x n PHE 14 Ca 0.56 -0.06 0.00 0.00 -0.56 0.00 0.00 57.45 57.39 2k1x n PHE 14 Cb 0.48 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.74 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 3.29 4.97 0.00 -1.24 -5.18 105.19 107.03 2k1x n GLY 15 Ca -0.04 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 1.46 0.32 -0.02 0.00 -1.22 -4.72 107.32 103.13 2k1x s GLY 16 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 44.72 42.98 2k1x s GLY 16 CO 0.00 -1.28 0.66 1.25 0.00 0.00 0.00 173.10 173.74 2k1x s LYS 17 N -3.96 3.82 0.04 2.90 2.20 -1.26 -4.92 119.74 118.56 2k1x s LYS 17 Ca 0.36 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 2k1x s LYS 17 Cb 0.05 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.83 2k1x s LYS 17 CO 0.15 0.15 -0.08 -1.54 -0.36 0.00 0.00 175.35 173.67 2k1x s SER 18 N -2.72 0.89 -0.46 1.43 1.04 -1.26 -0.03 113.70 112.58 2k1x s SER 18 Ca 0.50 -0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.29 2k1x s SER 18 Cb -0.11 0.02 0.08 0.00 0.10 0.00 0.00 66.02 66.12 2k1x s SER 18 CO 0.25 -0.17 0.36 -0.36 0.98 0.00 0.00 173.24 174.31 2k1x s PHE 19 N -1.24 3.28 -0.47 5.02 0.08 -0.18 -4.94 117.98 119.53 2k1x s PHE 19 Ca -0.08 -1.19 0.07 0.00 0.12 0.00 0.00 56.93 55.85 2k1x s PHE 19 Cb -0.09 -3.19 0.40 0.00 -0.57 0.00 0.00 43.02 39.56 2k1x s PHE 19 CO 0.00 -0.85 1.03 -0.40 -0.10 0.00 0.00 175.22 174.91 2k1x n ASP 20 N 5.11 4.18 -3.89 1.36 5.75 -1.26 -3.67 116.55 124.13 2k1x n ASP 20 Ca -0.12 -3.59 -0.12 0.00 -0.01 0.00 0.00 54.79 50.95 2k1x n ASP 20 Cb 0.43 -0.50 -0.14 0.00 -1.03 0.00 0.00 41.12 39.88 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k1x s ALA 21 N -3.43 0.06 -1.46 2.12 0.00 -1.26 -5.06 121.76 112.72 2k1x s ALA 21 Ca 0.46 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 2k1x s ALA 21 Cb 0.37 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.52 2k1x s ALA 21 CO -0.15 0.00 2.26 2.41 0.00 0.00 0.00 175.76 180.29 2k1x n THR 22 N 2.98 3.55 -3.73 0.00 -1.04 -1.26 -4.81 114.28 109.97 2k1x n THR 22 Ca -0.13 -3.05 -0.00 0.00 -2.04 0.00 0.00 64.05 58.83 2k1x n THR 22 Cb 0.60 -2.60 -0.00 0.00 -1.82 0.00 0.00 70.33 66.51 2k1x n THR 22 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k1x n SER 23 N 5.83 -0.01 -4.29 8.00 2.88 -1.26 -5.05 113.62 119.71 2k1x n SER 23 Ca 0.53 -1.01 -0.44 0.00 -1.33 0.00 0.00 58.87 56.63 2k1x n SER 23 Cb 0.38 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2k1x n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k1x n ASP 24 N -2.44 5.22 -4.88 -3.46 2.03 -1.26 -4.99 116.55 106.76 2k1x n ASP 24 Ca 0.00 -3.02 -0.31 0.00 0.52 0.00 0.00 54.79 51.98 2k1x n ASP 24 Cb 0.00 -1.54 0.03 0.00 -0.72 0.00 0.00 41.12 38.89 2k1x n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k1x s GLN 25 N 1.10 3.22 -0.67 -0.67 1.11 -1.26 -4.91 119.66 117.58 2k1x s GLN 25 Ca 0.42 0.60 -0.25 0.00 0.01 0.00 0.00 55.36 56.13 2k1x s GLN 25 Cb 0.00 -2.05 -0.12 0.00 -1.01 0.00 0.00 33.01 29.83 2k1x s GLN 25 CO 0.00 -0.81 2.43 -2.30 0.01 0.00 0.00 175.29 174.63 2k1x n PRO 26 N -2.88 0.73 0.00 2.91 -0.02 -1.26 -4.89 135.00 129.59 2k1x n PRO 26 Ca 0.06 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 2k1x n PRO 26 Cb 0.56 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.79 2k1x n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k1x n GLY 27 N 6.30 -1.64 2.03 -1.23 0.00 -1.26 -4.96 105.19 104.43 2k1x n GLY 27 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -0.02 4.61 0.00 -1.26 -4.99 120.51 115.85 2k1x n ALA 28 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2k1x n ALA 28 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.93 0.31 4.03 0.00 0.00 -1.25 -5.07 105.19 104.14 2k1x n GLY 29 Ca 0.09 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 2k1x n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k1x s ASP 30 N -0.01 4.81 0.35 1.61 1.11 -1.25 -5.09 116.67 118.19 2k1x s ASP 30 Ca 0.00 -0.81 0.08 0.00 0.18 0.00 0.00 52.55 52.00 2k1x s ASP 30 Cb 0.00 0.39 -0.03 0.00 1.07 0.00 0.00 42.92 44.35 2k1x s ASP 30 CO 0.00 -1.57 0.25 0.20 1.18 0.00 0.00 175.17 175.23 2k1x s ASN 31 N -4.74 5.05 0.04 0.27 0.01 -1.26 -4.85 114.94 109.46 2k1x s ASN 31 Ca 0.64 -0.63 -0.33 0.00 -0.71 0.00 0.00 52.86 51.83 2k1x s ASN 31 Cb -0.05 -0.84 -0.12 0.00 0.41 0.00 0.00 41.25 40.65 2k1x s ASN 31 CO 0.41 -0.38 1.77 0.18 -1.51 0.00 0.00 177.10 177.58 2k1x n LEU 32 N -1.32 3.46 -3.86 0.60 4.32 -1.26 -1.74 117.00 117.20 2k1x n LEU 32 Ca -0.02 1.01 -0.26 0.00 -0.02 0.00 0.00 56.01 56.72 2k1x n LEU 32 Cb 0.61 -1.43 0.01 0.00 -1.62 0.00 0.00 43.42 40.99 2k1x n LEU 32 CO 0.43 -0.08 -0.05 -3.20 -1.22 0.00 0.00 177.39 173.26 2k1x n ASN 33 N 5.38 -2.23 -2.56 -1.43 2.85 -1.25 -4.86 115.26 111.15 2k1x n ASN 33 Ca 0.20 -0.86 -0.08 0.00 -0.11 0.00 0.00 54.58 53.73 2k1x n ASN 33 Cb 0.31 -3.68 0.04 0.00 1.24 0.00 0.00 39.78 37.69 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2k1x n ASP 34 N -2.94 2.65 -4.31 1.20 2.03 -0.71 -5.01 116.55 109.45 2k1x n ASP 34 Ca -0.17 -2.58 -0.43 0.00 0.52 0.00 0.00 54.79 52.13 2k1x n ASP 34 Cb 0.62 -0.43 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2k1x s LYS 35 N -3.72 2.79 -0.30 -0.67 2.47 -1.26 -4.55 119.74 114.51 2k1x s LYS 35 Ca 0.35 -1.55 -0.17 0.00 -1.56 0.00 0.00 55.97 53.04 2k1x s LYS 35 Cb 0.35 -4.05 0.18 0.00 -1.46 0.00 0.00 37.83 32.85 2k1x s LYS 35 CO -0.02 -1.12 1.21 -1.50 0.16 0.00 0.00 175.35 174.09 2k1x s ILE 36 N 1.52 -0.02 0.00 5.43 2.07 -1.26 -4.71 121.20 124.23 2k1x s ILE 36 Ca 0.04 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2k1x s ILE 36 Cb -0.26 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 41.95 2k1x s ILE 36 CO 0.03 0.00 0.00 -1.54 -1.91 0.00 0.00 174.94 171.52 2k1x n SER 37 N 5.19 0.00 -4.69 4.50 3.41 -1.25 -4.03 113.62 116.76 2k1x n SER 37 Ca 0.03 -0.69 -0.25 0.00 -0.26 0.00 0.00 58.87 57.70 2k1x n SER 37 Cb 0.57 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.08 4.28 -0.07 4.04 0.15 -1.18 -3.60 113.70 117.25 2k1x s SER 38 Ca 0.00 -1.08 -0.07 0.00 0.70 0.00 0.00 55.95 55.50 2k1x s SER 38 Cb 0.00 -0.50 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 2k1x s SER 38 CO 0.00 -0.43 0.20 -0.51 1.20 0.00 0.00 173.24 173.70 2k1x s ILE 39 N -2.58 -0.00 -0.05 6.45 -1.16 -0.24 -2.86 121.20 120.76 2k1x s ILE 39 Ca 0.38 0.01 -0.02 0.00 -0.51 0.00 0.00 60.65 60.51 2k1x s ILE 39 Cb 0.03 -0.28 0.03 0.00 0.61 0.00 0.00 42.46 42.85 2k1x s ILE 39 CO 0.21 0.01 0.06 -0.75 -2.81 0.00 0.00 174.94 171.65 2k1x s LYS 40 N 0.19 -0.06 -0.06 3.50 2.20 -1.02 -1.66 119.74 122.84 2k1x s LYS 40 Ca -0.01 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.99 2k1x s LYS 40 Cb -0.02 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.71 2k1x s LYS 40 CO -0.00 -0.34 -0.14 0.54 -0.36 0.00 0.00 175.35 175.05 2k1x s VAL 41 N 2.16 3.10 -0.30 4.02 0.11 -1.22 -3.44 120.40 124.83 2k1x s VAL 41 Ca 0.05 -0.70 0.19 0.00 -2.93 0.00 0.00 61.98 58.58 2k1x s VAL 41 Cb -0.12 -2.22 0.48 0.00 -1.53 0.00 0.00 36.38 32.99 2k1x s VAL 41 CO -0.03 0.59 1.04 1.17 -3.33 0.00 0.00 175.10 174.53 2k1x n LYS 42 N 2.42 1.63 -3.15 1.54 3.00 -1.26 -3.83 118.16 118.50 2k1x n LYS 42 Ca -0.17 -3.47 0.05 0.00 -0.00 0.00 0.00 58.31 54.72 2k1x n LYS 42 Cb 0.52 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 2k1x n LYS 42 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2k1x s SER 43 N -3.46 -0.02 0.87 3.14 1.04 -1.26 -5.06 113.70 108.95 2k1x s SER 43 Ca 0.29 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2k1x s SER 43 Cb 0.39 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.53 2k1x s SER 43 CO -0.01 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2k1x n GLY 44 N 5.14 2.70 3.25 7.32 0.00 -1.26 -4.78 105.19 117.56 2k1x n GLY 44 Ca -0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 0.06 0.43 2.61 -4.23 -1.25 -4.35 115.64 108.91 2k1x s THR 45 Ca 0.00 -0.46 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 2k1x s THR 45 Cb 0.00 -0.64 -0.06 0.00 1.34 0.00 0.00 72.50 73.14 2k1x s THR 45 CO 0.00 -0.25 0.08 0.26 -0.54 0.00 0.00 174.62 174.16 2k1x s TRP 46 N -1.36 2.43 -0.21 3.99 0.51 -1.06 -4.29 118.94 118.95 2k1x s TRP 46 Ca -0.13 -0.69 -0.03 0.00 -2.12 0.00 0.00 56.10 53.13 2k1x s TRP 46 Cb -0.05 -1.82 -0.00 0.00 -0.81 0.00 0.00 33.47 30.79 2k1x s TRP 46 CO 0.04 0.31 -0.08 1.03 -0.51 0.00 0.00 176.95 177.74 2k1x s ARG 47 N -3.81 3.26 -0.18 4.98 3.00 -1.24 -0.43 118.95 124.54 2k1x s ARG 47 Ca 0.33 -0.69 -0.05 0.00 0.00 0.00 0.00 55.73 55.33 2k1x s ARG 47 Cb 0.07 -2.91 -0.03 0.00 0.00 0.00 0.00 34.95 32.08 2k1x s ARG 47 CO 0.18 -0.21 -0.01 -0.06 0.00 0.00 0.00 175.30 175.19 2k1x s PHE 48 N 1.43 3.04 -0.03 -0.53 0.08 0.61 -2.98 117.98 119.60 2k1x s PHE 48 Ca 0.05 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 2k1x s PHE 48 Cb -0.14 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 2k1x s PHE 48 CO -0.05 -0.15 0.05 1.52 -0.10 0.00 0.00 175.22 176.48 2k1x s TYR 49 N 0.75 0.03 -0.86 0.36 -0.85 -0.76 -1.10 117.35 114.91 2k1x s TYR 49 Ca -0.00 0.20 -0.14 0.00 -0.52 0.00 0.00 57.07 56.60 2k1x s TYR 49 Cb -0.14 -0.32 0.21 0.00 0.38 0.00 0.00 41.96 42.09 2k1x s TYR 49 CO 0.02 -0.13 0.84 -2.00 -1.52 0.00 0.00 175.55 172.76 2k1x s GLU 50 N 1.49 3.64 0.00 -3.49 -6.30 -1.26 -1.24 118.70 111.54 2k1x s GLU 50 Ca -0.04 -2.40 0.00 0.00 -2.50 0.00 0.00 54.97 50.03 2k1x s GLU 50 Cb -0.13 -4.51 0.00 0.00 0.00 0.00 0.00 34.13 29.50 2k1x s GLU 50 CO -0.03 -1.36 0.00 0.66 0.02 0.00 0.00 175.26 174.55 2k1x n TYR 51 N 4.29 0.00 -1.20 5.30 4.01 0.84 -4.39 117.16 126.01 2k1x n TYR 51 Ca 0.16 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.60 2k1x n TYR 51 Cb 0.47 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.64 2k1x n TYR 51 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2k1x s ILE 52 N -3.00 2.54 -0.81 -0.72 -1.09 -1.26 -4.33 121.20 112.52 2k1x s ILE 52 Ca 0.00 0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.53 2k1x s ILE 52 Cb 0.00 -2.66 -0.11 0.00 -1.58 0.00 0.00 42.46 38.11 2k1x s ILE 52 CO 0.00 -0.23 2.58 0.59 -1.23 0.00 0.00 174.94 176.65 2k1x n ASN 53 N -3.94 5.65 0.00 3.58 3.02 -1.26 -2.99 115.26 119.31 2k1x n ASN 53 Ca 0.07 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 2k1x n ASN 53 Cb 0.56 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2k1x n TYR 54 N 3.51 0.00 -0.38 3.10 4.01 -1.26 -5.16 117.16 120.99 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.44 4.85 0.00 2.72 0.00 -1.16 -5.17 105.19 105.99 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 -2.37 3.59 -0.02 0.00 -1.26 -4.51 105.19 100.62 2k1x n GLY 56 Ca 0.00 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.81 3.54 -0.71 1.61 3.00 -1.26 -4.93 118.95 119.39 2k1x s ARG 57 Ca 0.00 0.70 -0.27 0.00 -1.00 0.00 0.00 55.73 55.16 2k1x s ARG 57 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 34.95 30.95 2k1x s ARG 57 CO 0.00 -1.62 1.37 -0.47 0.00 0.00 0.00 175.30 174.59 2k1x s TYR 58 N 5.33 2.19 -0.23 5.12 5.04 -1.26 -4.03 117.35 129.51 2k1x s TYR 58 Ca 0.55 0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 55.27 2k1x s TYR 58 Cb -0.11 -4.54 0.07 0.00 0.35 0.00 0.00 41.96 37.73 2k1x s TYR 58 CO 0.30 -2.10 0.04 -0.46 -1.34 0.00 0.00 175.55 172.00 2k1x s TRP 59 N 6.26 1.27 0.32 4.97 -0.00 -0.26 -5.00 118.94 126.50 2k1x s TRP 59 Ca 0.41 -1.13 -0.19 0.00 -0.00 0.00 0.00 56.10 55.20 2k1x s TRP 59 Cb -0.09 -1.21 -0.09 0.00 -0.00 0.00 0.00 33.47 32.07 2k1x s TRP 59 CO 0.16 -0.69 0.80 0.16 -0.00 0.00 0.00 176.95 177.39 2k1x s ASP 60 N 1.77 6.94 -0.14 5.86 1.47 -1.26 -0.28 116.67 131.03 2k1x s ASP 60 Ca 0.01 1.46 -0.09 0.00 1.18 0.00 0.00 52.55 55.12 2k1x s ASP 60 Cb -0.17 -2.44 -0.04 0.00 -0.34 0.00 0.00 42.92 39.92 2k1x s ASP 60 CO -0.13 -0.17 0.16 -0.22 0.68 0.00 0.00 175.17 175.49 2k1x s LEU 61 N -2.70 4.33 0.50 2.11 2.96 0.43 -4.87 118.68 121.45 2k1x s LEU 61 Ca 0.53 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.91 2k1x s LEU 61 Cb -0.12 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.46 2k1x s LEU 61 CO 0.18 0.32 0.26 -0.83 -1.32 0.00 0.00 176.35 174.96 2k1x s GLY 62 N -0.54 2.51 -0.79 7.98 0.00 -1.26 -2.58 107.32 112.64 2k1x s GLY 62 Ca 0.13 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 2k1x s GLY 62 CO 0.03 -1.99 2.56 -1.05 0.00 0.00 0.00 173.10 172.65 2k1x n PRO 63 N -1.53 0.38 0.00 2.90 -0.02 -1.26 -4.74 135.00 130.74 2k1x n PRO 63 Ca -0.05 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2k1x n PRO 63 Cb 0.65 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 6.39 2.70 3.41 -1.23 0.00 -1.25 -5.06 105.19 110.15 2k1x n GLY 64 Ca 0.55 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.01 1.75 -0.08 1.61 2.12 -1.26 -3.40 118.70 117.42 2k1x s GLU 65 Ca 0.00 -1.16 -0.08 0.00 0.36 0.00 0.00 54.97 54.10 2k1x s GLU 65 Cb 0.00 -2.03 0.02 0.00 0.26 0.00 0.00 34.13 32.38 2k1x s GLU 65 CO 0.00 0.50 0.22 1.52 -0.54 0.00 0.00 175.26 176.96 2k1x s TYR 66 N -0.96 -0.24 -0.59 5.30 1.13 -0.66 -5.00 117.35 116.33 2k1x s TYR 66 Ca 0.14 0.59 0.06 0.00 -1.41 0.00 0.00 57.07 56.45 2k1x s TYR 66 Cb -0.10 0.08 0.22 0.00 -1.10 0.00 0.00 41.96 41.06 2k1x s TYR 66 CO 0.05 -0.12 0.60 -1.13 -2.51 0.00 0.00 175.55 172.44 2k1x n SER 67 N 2.94 2.51 -4.88 -0.18 3.41 -1.26 -1.08 113.62 115.08 2k1x n SER 67 Ca -0.13 -3.14 -0.30 0.00 -0.26 0.00 0.00 58.87 55.04 2k1x n SER 67 Cb 0.58 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 2k1x n SER 67 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k1x s SER 68 N -1.72 6.46 0.00 4.04 0.15 -1.24 -4.94 113.70 116.45 2k1x s SER 68 Ca 0.34 1.17 0.08 0.00 0.70 0.00 0.00 55.95 58.25 2k1x s SER 68 Cb 0.09 -2.34 0.14 0.00 -1.71 0.00 0.00 66.02 62.19 2k1x s SER 68 CO -0.09 -0.50 0.96 1.33 1.20 0.00 0.00 173.24 176.14 2k1x n VAL 69 N -1.65 0.00 0.00 4.45 0.24 -1.26 -3.75 118.33 116.35 2k1x n VAL 69 Ca 0.03 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2k1x n VAL 69 Cb 0.54 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 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 0.16 0.00 0.16 7.34 0.28 -1.26 -4.97 120.64 122.34 2k1x n GLU 70 Ca -0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.98 2k1x n GLU 70 Cb 0.80 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.73 2k1x n GLU 70 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k1x h SER 71 N 0.00 0.00 0.00 -1.84 4.64 -1.98 -3.39 113.55 110.98 2k1x h SER 71 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k1x h SER 71 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k1x h SER 71 CO 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 2k1x n ALA 72 N -2.20 0.00 0.00 5.18 0.00 -1.26 -5.08 120.51 117.15 2k1x n ALA 72 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k1x n ALA 72 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2k1x n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1x n GLY 73 N 1.94 2.11 2.46 0.00 0.00 -1.26 -5.08 105.19 105.36 2k1x n GLY 73 Ca 0.00 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 1.95 -0.60 -0.61 2.08 -1.26 -4.84 119.36 116.08 2k1x n ILE 74 Ca 0.00 -5.08 0.00 0.00 0.56 0.00 0.00 62.75 58.23 2k1x n ILE 74 Cb 0.00 -1.91 0.00 0.00 -0.75 0.00 0.00 39.64 36.98 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 0.73 0.34 -0.37 0.38 -0.04 -1.26 -4.95 135.00 129.84 2k1x n PRO 75 Ca 0.29 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 2k1x n PRO 75 Cb 0.43 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.11 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 -1.85 3.03 -3.38 3.54 8.00 -1.26 -4.19 116.55 120.42 2k1x n ASP 76 Ca 0.00 -2.26 -0.01 0.00 0.71 0.00 0.00 54.79 53.22 2k1x n ASP 76 Cb 0.00 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.61 2k1x n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k1x s ASN 77 N -0.74 -0.88 -0.47 -2.24 4.22 -1.26 -3.94 114.94 109.64 2k1x s ASN 77 Ca 0.30 0.96 -0.02 0.00 -2.14 0.00 0.00 52.86 51.96 2k1x s ASN 77 Cb 0.20 1.91 0.19 0.00 1.28 0.00 0.00 41.25 44.82 2k1x s ASN 77 CO 0.15 -0.25 2.34 -1.20 -2.04 0.00 0.00 177.10 176.09 2k1x n SER 78 N 5.42 6.73 -3.53 3.54 7.64 -1.23 -4.78 113.62 127.41 2k1x n SER 78 Ca -0.05 -3.29 -0.39 0.00 1.01 0.00 0.00 58.87 56.15 2k1x n SER 78 Cb 0.50 -1.12 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 2k1x n SER 78 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2k1x n ILE 79 N 0.32 3.12 -4.02 0.44 2.08 -1.26 -3.94 119.36 116.11 2k1x n ILE 79 Ca 0.44 -2.35 -0.24 0.00 0.56 0.00 0.00 62.75 61.16 2k1x n ILE 79 Cb 0.55 -2.47 -0.06 0.00 -0.75 0.00 0.00 39.64 36.90 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2k1x s SER 80 N 3.41 4.59 -0.04 4.38 0.01 -1.26 -0.11 113.70 124.68 2k1x s SER 80 Ca 0.53 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 2k1x s SER 80 Cb 0.14 -0.55 0.10 0.00 0.21 0.00 0.00 66.02 65.93 2k1x s SER 80 CO -0.03 -0.51 0.85 -0.55 0.41 0.00 0.00 173.24 173.42 2k1x s SER 81 N -3.93 -0.44 -0.16 2.44 0.15 -0.37 -3.85 113.70 107.54 2k1x s SER 81 Ca 0.42 0.24 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 2k1x s SER 81 Cb 0.01 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.78 2k1x s SER 81 CO 0.24 -0.57 0.40 0.72 1.20 0.00 0.00 173.24 175.22 2k1x s PHE 82 N -2.25 -0.50 -0.20 3.44 -0.71 -1.26 -1.83 117.98 114.67 2k1x s PHE 82 Ca -0.00 1.14 -0.14 0.00 -1.04 0.00 0.00 56.93 56.89 2k1x s PHE 82 Cb -0.01 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 2k1x s PHE 82 CO -0.03 -0.26 0.33 1.03 -1.34 0.00 0.00 175.22 174.95 2k1x s ARG 83 N 0.69 4.17 -0.81 1.99 1.81 -1.16 -4.67 118.95 120.96 2k1x s ARG 83 Ca -0.04 0.09 -0.26 0.00 -1.72 0.00 0.00 55.73 53.80 2k1x s ARG 83 Cb -0.05 -3.52 0.03 0.00 -0.45 0.00 0.00 34.95 30.96 2k1x s ARG 83 CO -0.05 0.03 1.37 -0.65 -0.68 0.00 0.00 175.30 175.33 2k1x s GLN 84 N 1.10 3.26 0.00 3.54 -0.21 -1.26 -3.60 119.66 122.48 2k1x s GLN 84 Ca 0.16 -0.44 0.03 0.00 0.02 0.00 0.00 55.36 55.13 2k1x s GLN 84 Cb -0.14 -4.53 0.02 0.00 1.00 0.00 0.00 33.01 29.35 2k1x s GLN 84 CO 0.06 -2.22 0.58 0.44 -2.12 0.00 0.00 175.29 172.03