#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 6.46 -0.83 7.83 -0.87 -1.26 -5.02 114.94 121.24 2k1x s ASN 2 Ca 0.00 0.54 -0.23 0.00 -1.57 0.00 0.00 52.86 51.60 2k1x s ASN 2 Cb 0.00 -2.14 0.07 0.00 -0.02 0.00 0.00 41.25 39.16 2k1x s ASN 2 CO 0.00 0.27 1.22 0.00 -2.57 0.00 0.00 177.10 176.02 2k1x s ALA 3 N -0.41 2.95 -0.26 0.60 0.00 -1.26 -4.64 121.76 118.74 2k1x s ALA 3 Ca 0.16 -2.01 -0.26 0.00 0.00 0.00 0.00 51.96 49.85 2k1x s ALA 3 Cb -0.13 -4.19 0.12 0.00 0.00 0.00 0.00 23.12 18.92 2k1x s ALA 3 CO 0.05 -3.19 1.00 0.00 0.00 0.00 0.00 175.76 173.62 2k1x s ALA 4 N 4.51 -1.95 -0.76 0.00 0.00 -1.26 -5.00 121.76 117.29 2k1x s ALA 4 Ca 0.34 1.82 -0.21 0.00 0.00 0.00 0.00 51.96 53.91 2k1x s ALA 4 Cb -0.07 -1.27 0.09 0.00 0.00 0.00 0.00 23.12 21.86 2k1x s ALA 4 CO 0.02 -0.26 1.04 -2.00 0.00 0.00 0.00 175.76 174.57 2k1x s GLU 5 N -0.02 3.29 -0.22 0.00 2.12 -1.26 -4.64 118.70 117.97 2k1x s GLU 5 Ca 0.02 -1.15 -0.04 0.00 0.36 0.00 0.00 54.97 54.16 2k1x s GLU 5 Cb -0.04 -4.51 -0.01 0.00 0.26 0.00 0.00 34.13 29.83 2k1x s GLU 5 CO -0.04 -1.82 -0.04 0.08 -0.54 0.00 0.00 175.26 172.89 2k1x s VAL 6 N 3.66 3.35 -0.24 3.70 1.01 -1.26 -4.01 120.40 126.61 2k1x s VAL 6 Ca 0.27 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2k1x s VAL 6 Cb -0.12 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.79 2k1x s VAL 6 CO 0.03 0.41 -0.07 -0.51 0.00 0.00 0.00 175.10 174.96 2k1x s ILE 7 N 1.47 1.74 0.01 2.22 2.07 -1.19 -4.51 121.20 123.01 2k1x s ILE 7 Ca 0.06 -1.35 0.06 0.00 -1.41 0.00 0.00 60.65 58.00 2k1x s ILE 7 Cb -0.14 -1.95 -0.02 0.00 0.13 0.00 0.00 42.46 40.48 2k1x s ILE 7 CO -0.03 -0.07 -0.18 0.68 -1.91 0.00 0.00 174.94 173.43 2k1x s VAL 8 N 1.30 1.39 0.05 4.00 -7.23 -1.24 -2.19 120.40 116.47 2k1x s VAL 8 Ca -0.07 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 2k1x s VAL 8 Cb -0.19 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.50 2k1x s VAL 8 CO -0.06 0.27 0.46 -0.31 -0.31 0.00 0.00 175.10 175.15 2k1x s TYR 9 N -0.58 3.70 -0.61 2.82 1.51 -0.97 -2.27 117.35 120.95 2k1x s TYR 9 Ca 0.06 1.02 -0.02 0.00 -1.01 0.00 0.00 57.07 57.12 2k1x s TYR 9 Cb -0.07 -2.32 0.31 0.00 -0.11 0.00 0.00 41.96 39.77 2k1x s TYR 9 CO 0.00 0.58 2.16 -1.91 -1.11 0.00 0.00 175.55 175.27 2k1x n GLU 10 N 1.49 2.49 -3.35 -0.62 2.13 0.93 -3.85 120.64 119.85 2k1x n GLU 10 Ca -0.11 -2.86 0.00 0.00 0.66 0.00 0.00 57.16 54.85 2k1x n GLU 10 Cb 0.52 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.10 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 -0.27 0.00 -0.92 4.31 8.25 -1.26 -4.54 115.22 120.79 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 0.51 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.71 1.59 1.01 -1.26 -2.97 120.40 117.62 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 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2k1x s VAL 12 CO 0.00 -0.22 2.90 -0.46 0.00 0.00 0.00 175.10 177.32 2k1x n ASN 13 N -4.03 6.87 -0.51 3.32 6.94 -1.26 -3.50 115.26 123.10 2k1x n ASN 13 Ca 0.10 -2.94 -0.01 0.00 -0.02 0.00 0.00 54.58 51.71 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 1.80 0.00 0.00 -2.53 -1.74 -1.26 -5.02 117.46 108.72 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 0.46 -0.02 0.00 -1.23 -4.69 107.32 103.27 2k1x s GLY 16 Ca 0.00 -1.62 -0.00 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 -3.99 3.09 0.07 2.90 -2.85 -1.26 -4.91 119.74 112.78 2k1x s LYS 17 Ca 0.36 -0.43 -0.00 0.00 -1.00 0.00 0.00 55.97 54.91 2k1x s LYS 17 Cb 0.05 -2.54 -0.04 0.00 -2.06 0.00 0.00 37.83 33.24 2k1x s LYS 17 CO 0.14 -0.28 -0.03 -1.54 0.10 0.00 0.00 175.35 173.74 2k1x s SER 18 N -4.21 0.64 -0.25 0.03 1.04 -1.26 -0.05 113.70 109.63 2k1x s SER 18 Ca 0.48 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.92 2k1x s SER 18 Cb -0.10 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.26 2k1x s SER 18 CO 0.38 -0.58 -0.10 -0.36 0.98 0.00 0.00 173.24 173.57 2k1x s PHE 19 N -3.86 3.10 -0.58 5.02 0.08 -0.96 -4.97 117.98 115.81 2k1x s PHE 19 Ca 0.09 -2.21 0.02 0.00 0.12 0.00 0.00 56.93 54.95 2k1x s PHE 19 Cb 0.07 -1.86 0.40 0.00 -0.57 0.00 0.00 43.02 41.06 2k1x s PHE 19 CO -0.08 -0.86 1.49 -0.40 -0.10 0.00 0.00 175.22 175.27 2k1x n ASP 20 N 4.48 5.89 -4.91 1.36 5.75 -1.26 -3.71 116.55 124.14 2k1x n ASP 20 Ca -0.14 -3.77 -0.32 0.00 -0.01 0.00 0.00 54.79 50.56 2k1x n ASP 20 Cb 0.42 -0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 39.78 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 -3.75 3.92 -0.46 2.12 0.00 -1.26 -5.00 121.76 117.33 2k1x s ALA 21 Ca 0.51 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 2k1x s ALA 21 Cb 0.42 -1.96 0.22 0.00 0.00 0.00 0.00 23.12 21.80 2k1x s ALA 21 CO -0.23 0.75 2.25 2.41 0.00 0.00 0.00 175.76 180.94 2k1x n THR 22 N 0.36 3.15 -3.92 0.00 -1.04 -1.26 -4.50 114.28 107.07 2k1x n THR 22 Ca -0.05 -2.45 -0.10 0.00 -2.04 0.00 0.00 64.05 59.41 2k1x n THR 22 Cb 0.52 -1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.23 -0.82 -4.60 8.00 7.64 -1.26 -4.81 113.62 118.00 2k1x n SER 23 Ca 0.43 -2.23 -0.43 0.00 1.01 0.00 0.00 58.87 57.65 2k1x n SER 23 Cb 0.56 1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 65.29 2k1x n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k1x s ASP 24 N -2.39 6.22 0.67 6.43 -1.08 -1.26 -4.93 116.67 120.32 2k1x s ASP 24 Ca 0.19 0.91 -0.11 0.00 -0.52 0.00 0.00 52.55 53.02 2k1x s ASP 24 Cb -0.00 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 2k1x s ASP 24 CO 0.14 -1.52 1.07 -1.10 0.52 0.00 0.00 175.17 174.28 2k1x s GLN 25 N 5.15 3.17 -0.45 4.34 1.11 -1.26 -4.92 119.66 126.80 2k1x s GLN 25 Ca 0.65 0.58 -0.31 0.00 0.01 0.00 0.00 55.36 56.29 2k1x s GLN 25 Cb -0.15 -2.05 -0.11 0.00 -1.01 0.00 0.00 33.01 29.69 2k1x s GLN 25 CO 0.33 -0.83 2.32 -2.30 0.01 0.00 0.00 175.29 174.81 2k1x n PRO 26 N -2.89 1.06 -0.70 2.91 -0.02 -1.26 -4.91 135.00 129.19 2k1x n PRO 26 Ca 0.06 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 2k1x n PRO 26 Cb 0.56 -2.71 0.16 0.00 -0.02 0.00 0.00 33.50 31.49 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 6.29 -2.35 2.75 -1.23 0.00 -1.26 -4.77 105.19 104.63 2k1x n GLY 27 Ca 0.42 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.22 5.23 -0.11 4.61 0.00 -1.26 -4.47 120.51 120.28 2k1x n ALA 28 Ca 0.02 -3.56 -0.25 0.00 0.00 0.00 0.00 53.44 49.66 2k1x n ALA 28 Cb 0.60 -3.50 -0.11 0.00 0.00 0.00 0.00 19.45 16.43 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 4.11 -0.55 0.47 0.00 0.00 -1.26 -4.39 105.19 103.57 2k1x n GLY 29 Ca 0.55 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.03 -1.64 0.00 1.61 8.00 -1.26 -4.88 116.55 114.36 2k1x n ASP 30 Ca -0.45 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2k1x n ASP 30 Cb 0.87 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 -3.31 0.00 -2.88 -2.24 2.85 -1.26 -4.91 115.26 103.50 2k1x n ASN 31 Ca 0.02 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.37 2k1x n ASN 31 Cb 0.08 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.14 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 -0.75 -1.55 -1.76 1.20 7.94 -1.26 -4.50 117.00 116.32 2k1x n LEU 32 Ca 0.00 -3.99 -0.18 0.00 -1.11 0.00 0.00 56.01 50.73 2k1x n LEU 32 Cb 0.00 0.83 -0.04 0.00 0.53 0.00 0.00 43.42 44.74 2k1x n LEU 32 CO 0.00 2.10 -0.21 -3.20 -1.11 0.00 0.00 177.39 174.98 2k1x n ASN 33 N 0.79 -5.23 -2.72 1.96 5.15 -1.26 -4.69 115.26 109.26 2k1x n ASN 33 Ca 0.12 0.19 -0.06 0.00 -0.60 0.00 0.00 54.58 54.24 2k1x n ASN 33 Cb 0.65 -4.31 0.04 0.00 -0.53 0.00 0.00 39.78 35.63 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2k1x n ASP 34 N -1.22 1.47 -4.75 1.20 5.68 -1.26 -4.91 116.55 112.75 2k1x n ASP 34 Ca -0.20 -2.46 -0.39 0.00 -0.50 0.00 0.00 54.79 51.24 2k1x n ASP 34 Cb 0.63 -0.50 -0.06 0.00 -1.14 0.00 0.00 41.12 40.05 2k1x n ASP 34 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2k1x s LYS 35 N -3.35 4.30 -0.21 0.11 -2.85 -1.26 -5.06 119.74 111.43 2k1x s LYS 35 Ca 0.27 0.64 -0.06 0.00 -1.00 0.00 0.00 55.97 55.82 2k1x s LYS 35 Cb 0.41 -3.37 0.10 0.00 -2.06 0.00 0.00 37.83 32.91 2k1x s LYS 35 CO 0.01 0.30 0.42 0.96 0.10 0.00 0.00 175.35 177.15 2k1x s ILE 36 N 0.07 -0.66 0.00 3.79 -4.36 -1.26 -4.82 121.20 113.95 2k1x s ILE 36 Ca 0.30 0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.81 2k1x s ILE 36 Cb -0.17 -0.71 0.00 0.00 1.25 0.00 0.00 42.46 42.83 2k1x s ILE 36 CO 0.15 0.03 0.00 -1.54 0.24 0.00 0.00 174.94 173.82 2k1x n SER 37 N 5.39 0.00 -4.44 4.36 3.41 -1.25 -4.19 113.62 116.90 2k1x n SER 37 Ca -0.08 -0.45 -0.29 0.00 -0.26 0.00 0.00 58.87 57.80 2k1x n SER 37 Cb 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.66 3.61 -0.19 4.04 0.01 -1.16 -3.31 113.70 117.37 2k1x s SER 38 Ca 0.00 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2k1x s SER 38 Cb 0.00 -0.38 0.03 0.00 0.21 0.00 0.00 66.02 65.88 2k1x s SER 38 CO 0.00 0.17 -0.15 -0.63 0.41 0.00 0.00 173.24 173.04 2k1x s ILE 39 N -1.15 1.92 -0.15 1.44 1.09 0.21 -2.30 121.20 122.27 2k1x s ILE 39 Ca 0.16 -1.04 -0.01 0.00 -1.10 0.00 0.00 60.65 58.67 2k1x s ILE 39 Cb -0.10 -1.85 -0.01 0.00 -1.06 0.00 0.00 42.46 39.43 2k1x s ILE 39 CO 0.08 0.34 -0.11 -0.75 -0.10 0.00 0.00 174.94 174.40 2k1x s LYS 40 N 1.31 3.38 -0.02 2.79 2.20 -0.93 -2.28 119.74 126.19 2k1x s LYS 40 Ca 0.01 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 55.02 2k1x s LYS 40 Cb -0.15 -2.71 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2k1x s LYS 40 CO -0.10 0.13 -0.23 0.08 -0.36 0.00 0.00 175.35 174.87 2k1x s VAL 41 N 0.59 1.81 -0.30 4.02 1.01 -1.05 -3.18 120.40 123.30 2k1x s VAL 41 Ca -0.07 -0.97 0.17 0.00 0.00 0.00 0.00 61.98 61.11 2k1x s VAL 41 Cb -0.15 -1.51 0.44 0.00 0.00 0.00 0.00 36.38 35.16 2k1x s VAL 41 CO 0.03 0.51 1.37 0.29 0.00 0.00 0.00 175.10 177.30 2k1x n LYS 42 N 2.59 1.48 0.00 2.72 5.02 -1.26 -3.11 118.16 125.60 2k1x n LYS 42 Ca -0.16 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 2k1x n LYS 42 Cb 0.52 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k1x n SER 43 N -1.14 0.00 0.00 4.39 2.88 -1.26 -4.81 113.62 113.68 2k1x n SER 43 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2k1x n SER 43 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1x n GLY 44 N 0.00 0.89 3.11 0.46 0.00 -1.26 -4.69 105.19 103.69 2k1x n GLY 44 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 0.42 0.37 2.61 -4.23 -1.24 -4.38 115.64 109.18 2k1x s THR 45 Ca 0.00 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 2k1x s THR 45 Cb 0.00 -1.38 -0.06 0.00 1.34 0.00 0.00 72.50 72.40 2k1x s THR 45 CO 0.00 -0.85 0.04 0.26 -0.54 0.00 0.00 174.62 173.53 2k1x s TRP 46 N -3.35 2.14 -0.15 3.99 0.51 -1.18 -4.40 118.94 116.50 2k1x s TRP 46 Ca 0.05 -0.88 -0.00 0.00 -2.12 0.00 0.00 56.10 53.15 2k1x s TRP 46 Cb 0.04 -1.46 -0.01 0.00 -0.81 0.00 0.00 33.47 31.23 2k1x s TRP 46 CO -0.06 0.15 -0.14 1.03 -0.51 0.00 0.00 176.95 177.42 2k1x s ARG 47 N -3.82 3.27 -0.16 4.98 3.00 -1.25 -1.63 118.95 123.35 2k1x s ARG 47 Ca 0.34 -0.72 -0.02 0.00 0.00 0.00 0.00 55.73 55.32 2k1x s ARG 47 Cb 0.08 -2.65 -0.02 0.00 0.00 0.00 0.00 34.95 32.37 2k1x s ARG 47 CO 0.16 0.06 -0.08 -0.06 0.00 0.00 0.00 175.30 175.38 2k1x s PHE 48 N 0.72 2.91 -0.01 -0.53 0.08 0.58 -2.90 117.98 118.83 2k1x s PHE 48 Ca -0.06 -0.64 -0.00 0.00 0.12 0.00 0.00 56.93 56.35 2k1x s PHE 48 Cb -0.15 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 2k1x s PHE 48 CO 0.01 -0.26 0.02 1.52 -0.10 0.00 0.00 175.22 176.41 2k1x s TYR 49 N 0.67 -0.00 -0.69 0.36 1.13 -0.85 -0.78 117.35 117.19 2k1x s TYR 49 Ca -0.04 0.06 -0.02 0.00 -1.41 0.00 0.00 57.07 55.65 2k1x s TYR 49 Cb -0.15 -0.06 0.17 0.00 -1.10 0.00 0.00 41.96 40.83 2k1x s TYR 49 CO 0.02 -0.03 0.52 -1.83 -2.51 0.00 0.00 175.55 171.72 2k1x s GLU 50 N 0.29 2.73 0.00 -3.49 -1.05 -1.26 -0.89 118.70 115.03 2k1x s GLU 50 Ca -0.02 -2.73 0.00 0.00 -0.15 0.00 0.00 54.97 52.07 2k1x s GLU 50 Cb -0.03 -3.78 0.00 0.00 -0.44 0.00 0.00 34.13 29.88 2k1x s GLU 50 CO -0.01 -1.20 0.00 0.66 0.95 0.00 0.00 175.26 175.66 2k1x n TYR 51 N 3.18 0.00 -0.49 4.83 4.01 0.85 -4.35 117.16 125.19 2k1x n TYR 51 Ca 0.11 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.58 2k1x n TYR 51 Cb 0.38 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.62 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 3.47 0.00 -0.61 -0.72 -5.35 -1.26 -4.43 119.36 110.46 2k1x n ILE 52 Ca 0.00 -0.21 -0.12 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 0.59 -1.76 0.00 0.00 176.55 175.38 2k1x n ASN 53 N -3.26 5.61 -0.43 7.28 3.02 -1.26 -3.47 115.26 122.75 2k1x n ASN 53 Ca 0.05 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 2k1x n ASN 53 Cb 0.54 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 0.42 0.00 -1.58 3.10 4.02 -1.26 -5.14 117.16 116.73 2k1x n TYR 54 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 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 -0.60 0.00 2.72 0.00 -1.23 -5.18 105.19 100.90 2k1x n GLY 55 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.70 3.57 -0.02 0.00 -1.26 -4.49 105.19 103.69 2k1x n GLY 56 Ca 0.00 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.11 3.20 -0.43 1.61 3.00 -1.26 -4.89 118.95 119.07 2k1x s ARG 57 Ca 0.00 0.39 -0.29 0.00 -1.00 0.00 0.00 55.73 54.83 2k1x s ARG 57 Cb 0.00 -4.17 0.02 0.00 0.00 0.00 0.00 34.95 30.80 2k1x s ARG 57 CO 0.00 -2.07 1.32 -0.47 0.00 0.00 0.00 175.30 174.08 2k1x s TYR 58 N 6.42 2.55 -0.23 5.12 5.04 -1.26 -3.99 117.35 131.00 2k1x s TYR 58 Ca 0.52 0.70 -0.04 0.00 -2.44 0.00 0.00 57.07 55.81 2k1x s TYR 58 Cb -0.11 -4.33 0.08 0.00 0.35 0.00 0.00 41.96 37.95 2k1x s TYR 58 CO 0.23 -1.73 0.09 -0.46 -1.34 0.00 0.00 175.55 172.34 2k1x s TRP 59 N 5.06 0.55 -0.05 4.97 -0.00 0.04 -4.99 118.94 124.52 2k1x s TRP 59 Ca 0.57 -0.74 -0.19 0.00 -0.00 0.00 0.00 56.10 55.73 2k1x s TRP 59 Cb -0.12 -0.93 -0.05 0.00 -0.00 0.00 0.00 33.47 32.38 2k1x s TRP 59 CO 0.32 -0.67 0.53 0.16 -0.00 0.00 0.00 176.95 177.29 2k1x s ASP 60 N 2.02 6.84 0.35 5.86 -4.77 -1.26 -0.31 116.67 125.40 2k1x s ASP 60 Ca 0.04 1.01 0.06 0.00 -3.30 0.00 0.00 52.55 50.36 2k1x s ASP 60 Cb -0.16 -2.32 -0.01 0.00 -1.09 0.00 0.00 42.92 39.34 2k1x s ASP 60 CO -0.19 0.09 0.50 -1.48 0.70 0.00 0.00 175.17 174.78 2k1x s LEU 61 N 0.04 3.94 0.00 2.11 2.34 -0.65 -4.95 118.68 121.50 2k1x s LEU 61 Ca 0.28 -0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.36 2k1x s LEU 61 Cb -0.17 -2.81 0.00 0.00 -0.56 0.00 0.00 46.19 42.65 2k1x s LEU 61 CO 0.14 -0.46 0.00 0.61 -1.06 0.00 0.00 176.35 175.58 2k1x n GLY 62 N -1.70 5.04 3.65 -3.48 0.00 -1.26 -3.11 105.19 104.33 2k1x n GLY 62 Ca -0.00 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 2.66 0.00 1.61 -0.02 -1.26 -4.68 135.00 133.32 2k1x n PRO 63 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2k1x n PRO 63 Cb 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.44 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 4.80 3.56 3.36 -1.23 0.00 -1.18 -5.00 105.19 109.50 2k1x n GLY 64 Ca 0.22 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.28 2.32 0.16 1.61 -6.30 -1.26 -2.52 118.70 110.43 2k1x s GLU 65 Ca 0.00 -0.85 -0.23 0.00 -2.50 0.00 0.00 54.97 51.39 2k1x s GLU 65 Cb 0.00 -2.18 0.07 0.00 0.00 0.00 0.00 34.13 32.02 2k1x s GLU 65 CO 0.00 0.55 0.61 1.52 0.02 0.00 0.00 175.26 177.96 2k1x s TYR 66 N -0.57 -0.53 -0.83 5.30 -0.85 -0.96 -5.01 117.35 113.90 2k1x s TYR 66 Ca 0.08 0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.95 2k1x s TYR 66 Cb -0.11 0.56 0.20 0.00 0.38 0.00 0.00 41.96 43.00 2k1x s TYR 66 CO 0.00 -0.85 0.69 -1.12 -1.52 0.00 0.00 175.55 172.75 2k1x s SER 67 N -2.74 5.70 0.32 -0.18 0.01 -1.26 -0.62 113.70 114.92 2k1x s SER 67 Ca 0.01 -3.63 -0.17 0.00 1.31 0.00 0.00 55.95 53.48 2k1x s SER 67 Cb -0.01 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.27 2k1x s SER 67 CO -0.13 -0.19 0.76 -0.44 0.41 0.00 0.00 173.24 173.66 2k1x s SER 68 N -0.25 6.85 0.00 2.44 0.01 -1.21 -4.95 113.70 116.59 2k1x s SER 68 Ca 0.26 1.36 0.02 0.00 1.31 0.00 0.00 55.95 58.90 2k1x s SER 68 Cb -0.09 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.78 2k1x s SER 68 CO -0.12 -0.18 0.77 1.33 0.41 0.00 0.00 173.24 175.45 2k1x n VAL 69 N -0.21 0.00 -2.71 3.43 0.24 -1.26 -3.80 118.33 114.02 2k1x n VAL 69 Ca 0.03 -0.09 -0.07 0.00 -2.04 0.00 0.00 64.34 62.17 2k1x n VAL 69 Cb 0.53 0.30 0.10 0.00 -1.47 0.00 0.00 33.84 33.30 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 0.04 0.74 0.00 7.34 0.28 -1.26 -4.96 120.64 122.82 2k1x n GLU 70 Ca -0.04 -1.54 0.00 0.00 -0.16 0.00 0.00 57.16 55.42 2k1x n GLU 70 Cb 0.64 -0.76 0.00 0.00 1.43 0.00 0.00 31.44 32.75 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 0.44 0.00 0.05 -1.84 7.64 -1.26 -5.02 113.62 113.62 2k1x n SER 71 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 2k1x n SER 71 Cb 0.72 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.80 0.00 -0.43 0.00 -1.93 -3.44 119.26 112.66 2k1x h ALA 72 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k1x h ALA 72 Cb 0.00 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k1x h ALA 72 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 178.77 2k1x n GLY 73 N -1.29 -2.16 2.21 0.00 0.00 -1.26 -4.41 105.19 98.27 2k1x n GLY 73 Ca -0.05 1.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.80 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 0.00 -0.53 0.10 -0.61 -0.00 -1.26 -4.73 119.36 112.33 2k1x n ILE 74 Ca 0.00 -4.08 -0.17 0.00 -0.00 0.00 0.00 62.75 58.51 2k1x n ILE 74 Cb 0.00 -1.39 -0.14 0.00 -0.00 0.00 0.00 39.64 38.11 2k1x n ILE 74 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 2k1x h PRO 75 N 3.72 0.29 0.00 6.28 0.13 -1.96 -3.47 132.00 137.00 2k1x h PRO 75 Ca 0.07 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k1x h PRO 75 Cb 0.91 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2k1x h PRO 75 CO 0.46 1.23 0.00 -3.47 -0.23 0.00 0.00 178.00 175.99 2k1x n ASP 76 N -3.54 0.00 -4.13 1.44 -0.08 -1.26 -5.15 116.55 103.83 2k1x n ASP 76 Ca -0.09 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.09 2k1x n ASP 76 Cb 1.03 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.39 2k1x n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k1x s ASN 77 N -0.45 0.30 -0.96 1.67 2.20 -1.26 -4.53 114.94 111.90 2k1x s ASN 77 Ca 0.00 -1.16 -0.24 0.00 -0.94 0.00 0.00 52.86 50.52 2k1x s ASN 77 Cb 0.00 0.30 -0.07 0.00 -2.00 0.00 0.00 41.25 39.48 2k1x s ASN 77 CO 0.00 -0.73 2.00 -0.55 -2.94 0.00 0.00 177.10 174.88 2k1x s SER 78 N -3.03 4.90 -0.40 3.54 0.15 -1.26 -4.37 113.70 113.23 2k1x s SER 78 Ca 0.22 -0.83 0.08 0.00 0.70 0.00 0.00 55.95 56.12 2k1x s SER 78 Cb 0.07 -2.57 0.26 0.00 -1.71 0.00 0.00 66.02 62.08 2k1x s SER 78 CO 0.00 -3.04 0.56 -0.38 1.20 0.00 0.00 173.24 171.59 2k1x n ILE 79 N 8.02 -0.47 -3.98 6.45 2.08 -1.26 -4.97 119.36 125.22 2k1x n ILE 79 Ca 0.42 -4.15 -0.10 0.00 0.56 0.00 0.00 62.75 59.48 2k1x n ILE 79 Cb 0.46 -1.72 -0.07 0.00 -0.75 0.00 0.00 39.64 37.56 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 -1.43 0.07 -0.00 4.38 1.04 -1.26 -0.10 113.70 116.39 2k1x s SER 80 Ca 0.36 -0.90 -0.28 0.00 0.48 0.00 0.00 55.95 55.61 2k1x s SER 80 Cb 0.20 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.83 2k1x s SER 80 CO -0.10 -0.88 0.84 -0.55 0.98 0.00 0.00 173.24 173.53 2k1x s SER 81 N -2.97 -0.43 -0.15 7.02 0.15 -0.07 -4.52 113.70 112.74 2k1x s SER 81 Ca 0.18 0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 2k1x s SER 81 Cb 0.04 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2k1x s SER 81 CO -0.00 -0.64 0.39 0.72 1.20 0.00 0.00 173.24 174.91 2k1x s PHE 82 N -2.78 -0.47 -0.26 3.44 -0.71 -1.26 -2.00 117.98 113.94 2k1x s PHE 82 Ca 0.02 1.10 -0.18 0.00 -1.04 0.00 0.00 56.93 56.83 2k1x s PHE 82 Cb -0.01 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 2k1x s PHE 82 CO -0.07 -0.25 0.54 1.03 -1.34 0.00 0.00 175.22 175.14 2k1x s ARG 83 N 0.61 4.08 -0.80 1.99 1.81 -1.14 -4.84 118.95 120.66 2k1x s ARG 83 Ca -0.03 0.38 -0.26 0.00 -1.72 0.00 0.00 55.73 54.10 2k1x s ARG 83 Cb -0.05 -3.65 0.03 0.00 -0.45 0.00 0.00 34.95 30.83 2k1x s ARG 83 CO -0.04 -0.36 1.35 -0.65 -0.68 0.00 0.00 175.30 174.92 2k1x s GLN 84 N 2.34 3.24 0.00 3.54 -0.21 -1.26 -3.75 119.66 123.57 2k1x s GLN 84 Ca 0.22 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.21 2k1x s GLN 84 Cb -0.16 -4.46 0.00 0.00 1.00 0.00 0.00 33.01 29.39 2k1x s GLN 84 CO 0.09 -2.21 0.45 0.44 -2.12 0.00 0.00 175.29 171.95