#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 4.36 -0.46 3.17 0.01 -1.26 -5.09 114.94 115.67 2k1x s ASN 2 Ca 0.00 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.81 2k1x s ASN 2 Cb 0.00 -0.01 0.21 0.00 0.41 0.00 0.00 41.25 41.86 2k1x s ASN 2 CO 0.00 -1.86 0.89 0.00 -1.51 0.00 0.00 177.10 174.62 2k1x n ALA 3 N -2.83 -2.42 -3.15 0.60 0.00 -1.26 -5.10 120.51 106.35 2k1x n ALA 3 Ca 0.15 -0.76 0.05 0.00 0.00 0.00 0.00 53.44 52.88 2k1x n ALA 3 Cb 0.61 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 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 0.81 -2.95 -0.55 0.00 0.00 -1.26 -5.12 121.76 112.69 2k1x s ALA 4 Ca 0.28 1.56 -0.22 0.00 0.00 0.00 0.00 51.96 53.58 2k1x s ALA 4 Cb 0.09 -2.40 0.05 0.00 0.00 0.00 0.00 23.12 20.85 2k1x s ALA 4 CO -0.10 -1.49 0.83 -2.00 0.00 0.00 0.00 175.76 173.00 2k1x s GLU 5 N 2.91 3.23 -0.13 0.00 2.56 -1.26 -4.35 118.70 121.66 2k1x s GLU 5 Ca 0.11 -0.57 0.01 0.00 0.00 0.00 0.00 54.97 54.52 2k1x s GLU 5 Cb -0.11 -4.09 -0.01 0.00 2.00 0.00 0.00 34.13 31.92 2k1x s GLU 5 CO -0.17 -1.43 -0.17 0.08 -0.56 0.00 0.00 175.26 173.01 2k1x s VAL 6 N 3.47 2.60 -0.21 3.70 1.01 -1.26 -4.65 120.40 125.06 2k1x s VAL 6 Ca 0.24 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2k1x s VAL 6 Cb -0.16 -2.07 0.06 0.00 0.00 0.00 0.00 36.38 34.22 2k1x s VAL 6 CO 0.15 0.53 -0.03 -0.51 0.00 0.00 0.00 175.10 175.25 2k1x s ILE 7 N 0.50 1.16 0.03 2.22 2.07 -1.23 -4.53 121.20 121.42 2k1x s ILE 7 Ca -0.12 -0.94 0.05 0.00 -1.41 0.00 0.00 60.65 58.23 2k1x s ILE 7 Cb -0.16 -1.49 -0.02 0.00 0.13 0.00 0.00 42.46 40.91 2k1x s ILE 7 CO 0.05 -0.10 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.14 2k1x s VAL 8 N 1.57 1.12 -0.15 4.00 1.01 -1.24 -2.45 120.40 124.25 2k1x s VAL 8 Ca -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 2k1x s VAL 8 Cb -0.18 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2k1x s VAL 8 CO -0.07 0.08 0.07 -0.31 0.00 0.00 0.00 175.10 174.87 2k1x s TYR 9 N -0.72 3.33 -0.58 5.22 1.51 -0.96 -1.45 117.35 123.68 2k1x s TYR 9 Ca 0.03 0.22 -0.03 0.00 -1.01 0.00 0.00 57.07 56.27 2k1x s TYR 9 Cb -0.07 -2.01 0.20 0.00 -0.11 0.00 0.00 41.96 39.97 2k1x s TYR 9 CO 0.01 0.35 2.40 -0.85 -1.11 0.00 0.00 175.55 176.35 2k1x n GLU 10 N 2.95 2.47 -3.29 -0.62 0.28 0.86 -3.81 120.64 119.49 2k1x n GLU 10 Ca -0.18 -2.71 0.00 0.00 -0.16 0.00 0.00 57.16 54.12 2k1x n GLU 10 Cb 0.53 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.26 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2k1x n HIS 11 N 0.22 0.00 -0.94 -1.84 8.25 -1.26 -4.53 115.22 115.12 2k1x n HIS 11 Ca 0.50 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.65 2k1x n HIS 11 Cb 0.46 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.72 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 -3.00 2.57 -0.77 1.59 1.01 -1.26 -3.04 120.40 117.50 2k1x s VAL 12 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2k1x s VAL 12 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2k1x s VAL 12 CO 0.00 -0.24 2.80 -0.46 0.00 0.00 0.00 175.10 177.20 2k1x n ASN 13 N -4.00 7.01 -0.50 3.32 6.94 -1.26 -3.56 115.26 123.20 2k1x n ASN 13 Ca 0.10 -3.02 -0.01 0.00 -0.02 0.00 0.00 54.58 51.63 2k1x n ASN 13 Cb 0.53 -1.33 -0.01 0.00 -2.36 0.00 0.00 39.78 36.61 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 1.64 0.00 0.00 -2.53 -1.74 -1.26 -5.02 117.46 108.55 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 0.48 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.75 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 -0.09 3.28 4.97 0.00 -1.24 -5.18 105.19 106.93 2k1x n GLY 15 Ca -0.04 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.49 -0.02 0.00 -1.23 -4.69 107.32 103.29 2k1x s GLY 16 Ca 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.07 2k1x s GLY 16 CO 0.00 -1.28 0.75 1.25 0.00 0.00 0.00 173.10 173.82 2k1x s LYS 17 N -3.99 3.13 0.08 2.90 2.36 -1.26 -4.91 119.74 118.04 2k1x s LYS 17 Ca 0.36 -0.23 -0.12 0.00 -2.55 0.00 0.00 55.97 53.43 2k1x s LYS 17 Cb 0.05 -2.46 0.02 0.00 -1.05 0.00 0.00 37.83 34.39 2k1x s LYS 17 CO 0.14 -0.35 0.28 -1.54 1.55 0.00 0.00 175.35 175.43 2k1x s SER 18 N -4.21 -0.06 -0.38 1.43 1.04 -1.26 -0.10 113.70 110.17 2k1x s SER 18 Ca 0.49 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.48 2k1x s SER 18 Cb -0.10 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.46 2k1x s SER 18 CO 0.41 -0.70 0.17 -0.36 0.98 0.00 0.00 173.24 173.74 2k1x s PHE 19 N -3.24 3.34 -0.58 5.02 0.08 -0.53 -4.98 117.98 117.09 2k1x s PHE 19 Ca -0.00 -1.68 0.06 0.00 0.12 0.00 0.00 56.93 55.44 2k1x s PHE 19 Cb 0.02 -2.68 0.25 0.00 -0.57 0.00 0.00 43.02 40.04 2k1x s PHE 19 CO -0.08 -0.82 0.70 -0.40 -0.10 0.00 0.00 175.22 174.52 2k1x n ASP 20 N 4.80 3.00 -4.46 1.36 5.75 -1.26 -3.73 116.55 122.00 2k1x n ASP 20 Ca -0.10 -3.29 -0.24 0.00 -0.01 0.00 0.00 54.79 51.16 2k1x n ASP 20 Cb 0.43 -0.66 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 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 -2.23 2.68 -0.46 2.12 0.00 -1.26 -5.04 121.76 117.57 2k1x s ALA 21 Ca 0.39 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 2k1x s ALA 21 Cb 0.16 -0.23 0.29 0.00 0.00 0.00 0.00 23.12 23.34 2k1x s ALA 21 CO -0.03 0.25 2.07 -2.37 0.00 0.00 0.00 175.76 175.67 2k1x n THR 22 N -0.60 3.14 -2.18 0.00 5.66 -1.26 -3.96 114.28 115.07 2k1x n THR 22 Ca -0.05 -2.25 0.00 0.00 -3.05 0.00 0.00 64.05 58.70 2k1x n THR 22 Cb 0.60 -1.29 -0.00 0.00 -1.55 0.00 0.00 70.33 68.09 2k1x n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2k1x n SER 23 N -0.09 0.23 -0.89 1.09 7.64 -1.26 -4.90 113.62 115.43 2k1x n SER 23 Ca 0.43 -1.86 0.06 0.00 1.01 0.00 0.00 58.87 58.51 2k1x n SER 23 Cb 0.60 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.18 -5.33 -4.22 6.43 8.00 -1.25 -4.93 116.55 115.44 2k1x n ASP 24 Ca -0.02 0.50 -0.13 0.00 0.71 0.00 0.00 54.79 55.85 2k1x n ASP 24 Cb 0.84 -1.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.39 2k1x n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1x s GLN 25 N -0.81 0.96 0.00 -1.24 0.00 -1.26 -4.89 119.66 112.42 2k1x s GLN 25 Ca 0.00 -1.37 0.00 0.00 -0.00 0.00 0.00 55.36 53.99 2k1x s GLN 25 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 33.01 32.52 2k1x s GLN 25 CO 0.00 0.05 0.00 -0.35 0.00 0.00 0.00 175.29 174.99 2k1x n PRO 26 N -0.03 0.12 -2.12 9.60 -0.04 -1.26 -4.95 135.00 136.33 2k1x n PRO 26 Ca -0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 2k1x n PRO 26 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 2k1x n PRO 26 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k1x s GLY 27 N -2.79 0.82 0.00 0.55 0.00 -1.26 -4.94 107.32 99.70 2k1x s GLY 27 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2k1x s GLY 27 CO 0.00 3.12 0.16 0.00 0.00 0.00 0.00 173.10 176.38 2k1x n ALA 28 N 10.10 0.00 -1.53 3.20 0.00 -1.26 -5.02 120.51 126.00 2k1x n ALA 28 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 2k1x n ALA 28 Cb 0.48 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.20 -2.98 0.47 0.00 0.00 -1.26 -5.05 105.19 96.18 2k1x n GLY 29 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 0.04 -2.24 -2.09 1.61 8.00 -1.26 -5.01 116.55 115.59 2k1x n ASP 30 Ca -0.01 -0.16 -0.06 0.00 0.71 0.00 0.00 54.79 55.27 2k1x n ASP 30 Cb 0.01 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 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 -3.41 1.10 -4.56 -2.24 2.85 -1.26 -4.88 115.26 102.87 2k1x n ASN 31 Ca 0.02 -1.53 -0.38 0.00 -0.11 0.00 0.00 54.58 52.59 2k1x n ASN 31 Cb 0.09 0.24 -0.03 0.00 1.24 0.00 0.00 39.78 41.32 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2k1x s LEU 32 N 0.00 3.40 -1.78 1.20 1.02 -1.26 -1.77 118.68 119.49 2k1x s LEU 32 Ca 0.05 1.13 0.00 0.00 0.02 0.00 0.00 54.13 55.33 2k1x s LEU 32 Cb 0.00 -2.73 0.00 0.00 0.02 0.00 0.00 46.19 43.48 2k1x s LEU 32 CO 0.03 -2.60 0.00 -3.20 0.02 0.00 0.00 176.35 170.60 2k1x n ASN 33 N 14.50 -5.05 -2.32 2.29 4.05 -1.26 -4.75 115.26 122.71 2k1x n ASN 33 Ca 0.33 0.38 -0.34 0.00 0.45 0.00 0.00 54.58 55.40 2k1x n ASN 33 Cb 0.52 -4.07 0.08 0.00 1.23 0.00 0.00 39.78 37.55 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2k1x n ASP 34 N -0.80 7.56 -4.27 1.20 2.03 -0.73 -4.89 116.55 116.65 2k1x n ASP 34 Ca -0.17 -3.77 -0.42 0.00 0.52 0.00 0.00 54.79 50.95 2k1x n ASP 34 Cb 0.57 -0.98 -0.08 0.00 -0.72 0.00 0.00 41.12 39.91 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 -3.77 2.66 0.00 -0.67 2.47 -1.26 -4.22 119.74 114.96 2k1x s LYS 35 Ca 0.64 -1.60 0.00 0.00 -1.56 0.00 0.00 55.97 53.45 2k1x s LYS 35 Cb 0.50 -3.96 0.00 0.00 -1.46 0.00 0.00 37.83 32.91 2k1x s LYS 35 CO -0.01 -1.11 0.00 1.51 0.16 0.00 0.00 175.35 175.91 2k1x n ILE 36 N 5.00 0.00 -3.27 5.43 3.06 -1.26 -4.89 119.36 123.43 2k1x n ILE 36 Ca -0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 2k1x n ILE 36 Cb 0.42 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.60 2k1x n ILE 36 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2k1x n SER 37 N 0.00 0.00 -4.33 9.51 3.41 -1.23 -4.21 113.62 116.77 2k1x n SER 37 Ca 0.00 -0.85 -0.29 0.00 -0.26 0.00 0.00 58.87 57.47 2k1x n SER 37 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.55 3.05 -0.15 4.04 0.01 -1.17 -3.49 113.70 115.44 2k1x s SER 38 Ca 0.00 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.68 2k1x s SER 38 Cb 0.00 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.98 2k1x s SER 38 CO 0.00 0.23 -0.20 -0.63 0.41 0.00 0.00 173.24 173.06 2k1x s ILE 39 N -0.83 1.92 -0.12 1.44 1.09 -0.51 -2.28 121.20 121.91 2k1x s ILE 39 Ca 0.11 -0.88 0.02 0.00 -1.10 0.00 0.00 60.65 58.80 2k1x s ILE 39 Cb -0.10 -1.73 -0.01 0.00 -1.06 0.00 0.00 42.46 39.57 2k1x s ILE 39 CO 0.02 0.52 -0.18 -0.75 -0.10 0.00 0.00 174.94 174.45 2k1x s LYS 40 N 1.05 3.21 -0.07 2.79 2.20 -1.03 -1.65 119.74 126.25 2k1x s LYS 40 Ca -0.02 -0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 54.75 2k1x s LYS 40 Cb -0.14 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.71 2k1x s LYS 40 CO -0.06 0.16 0.18 0.54 -0.36 0.00 0.00 175.35 175.81 2k1x s VAL 41 N 0.43 -0.00 -0.26 4.02 0.11 -1.23 -3.54 120.40 119.92 2k1x s VAL 41 Ca -0.13 0.00 0.22 0.00 -2.93 0.00 0.00 61.98 59.14 2k1x s VAL 41 Cb -0.17 -0.26 0.50 0.00 -1.53 0.00 0.00 36.38 34.93 2k1x s VAL 41 CO 0.06 0.00 1.14 0.29 -3.33 0.00 0.00 175.10 173.26 2k1x n LYS 42 N 3.01 1.69 0.00 1.54 4.76 -1.26 -2.21 118.16 125.69 2k1x n LYS 42 Ca -0.13 -3.33 0.00 0.00 -2.87 0.00 0.00 58.31 51.99 2k1x n LYS 42 Cb 0.59 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2k1x n LYS 42 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2k1x n SER 43 N -0.66 0.00 -0.36 4.39 3.41 -1.26 -5.07 113.62 114.07 2k1x n SER 43 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2k1x n SER 43 Cb 0.81 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k1x n GLY 44 N -0.01 0.04 3.09 5.00 0.00 -1.26 -4.89 105.19 107.16 2k1x n GLY 44 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.04 2.61 -4.23 -1.26 -4.49 115.64 108.27 2k1x s THR 45 Ca 0.00 -0.32 0.05 0.00 -1.18 0.00 0.00 61.69 60.24 2k1x s THR 45 Cb 0.00 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.49 2k1x s THR 45 CO 0.00 -0.18 -0.20 0.26 -0.54 0.00 0.00 174.62 173.97 2k1x s TRP 46 N -0.61 1.91 -0.10 3.99 0.51 -1.10 -4.39 118.94 119.15 2k1x s TRP 46 Ca -0.07 -0.52 -0.30 0.00 -2.12 0.00 0.00 56.10 53.10 2k1x s TRP 46 Cb -0.04 -1.27 -0.01 0.00 -0.81 0.00 0.00 33.47 31.34 2k1x s TRP 46 CO 0.01 -0.15 1.01 1.03 -0.51 0.00 0.00 176.95 178.34 2k1x s ARG 47 N -0.12 4.43 -0.17 4.98 3.00 -1.24 -0.10 118.95 129.73 2k1x s ARG 47 Ca -0.01 1.40 -0.02 0.00 0.00 0.00 0.00 55.73 57.09 2k1x s ARG 47 Cb -0.11 -3.54 -0.01 0.00 0.00 0.00 0.00 34.95 31.29 2k1x s ARG 47 CO 0.02 -0.31 -0.09 -0.06 0.00 0.00 0.00 175.30 174.86 2k1x s PHE 48 N 1.98 2.89 -0.03 -0.53 0.08 0.54 -2.86 117.98 120.06 2k1x s PHE 48 Ca 0.49 -0.82 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 2k1x s PHE 48 Cb -0.18 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2k1x s PHE 48 CO 0.18 -0.39 0.04 1.52 -0.10 0.00 0.00 175.22 176.47 2k1x s TYR 49 N 0.91 0.06 -0.91 0.36 -0.85 -0.78 -1.53 117.35 114.61 2k1x s TYR 49 Ca -0.02 0.16 -0.15 0.00 -0.52 0.00 0.00 57.07 56.54 2k1x s TYR 49 Cb -0.15 -0.33 0.19 0.00 0.38 0.00 0.00 41.96 42.05 2k1x s TYR 49 CO 0.00 -0.13 0.97 -2.00 -1.52 0.00 0.00 175.55 172.87 2k1x s GLU 50 N 1.43 3.67 0.00 -3.49 2.12 -1.26 -1.21 118.70 119.97 2k1x s GLU 50 Ca -0.04 -2.25 0.00 0.00 0.36 0.00 0.00 54.97 53.03 2k1x s GLU 50 Cb -0.13 -4.66 0.00 0.00 0.26 0.00 0.00 34.13 29.60 2k1x s GLU 50 CO -0.03 -1.50 0.00 0.66 -0.54 0.00 0.00 175.26 173.85 2k1x n TYR 51 N 4.96 0.00 -1.13 5.30 4.01 0.95 -4.37 117.16 126.88 2k1x n TYR 51 Ca 0.20 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.65 2k1x n TYR 51 Cb 0.47 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.86 -0.95 -0.72 -4.36 -1.26 -4.24 121.20 108.53 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 -0.15 0.00 1.25 0.00 0.00 42.46 41.07 2k1x s ILE 52 CO 0.00 0.00 3.08 0.59 0.24 0.00 0.00 174.94 178.85 2k1x n ASN 53 N -4.41 7.00 0.00 4.36 3.02 -1.26 -3.31 115.26 120.66 2k1x n ASN 53 Ca 0.08 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 2k1x n ASN 53 Cb 0.58 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 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 3.23 -0.08 -0.76 3.10 4.01 -1.26 -5.16 117.16 120.24 2k1x n TYR 54 Ca 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.35 2k1x n TYR 54 Cb 0.46 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 -0.21 4.72 0.00 2.72 0.00 -1.21 -5.17 105.19 106.04 2k1x n GLY 55 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.18 3.58 -0.02 0.00 -1.26 -4.48 105.19 104.19 2k1x n GLY 56 Ca 0.00 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.46 3.02 -0.63 1.61 3.52 -1.26 -4.89 118.95 118.85 2k1x s ARG 57 Ca 0.00 1.28 -0.28 0.00 -0.13 0.00 0.00 55.73 56.60 2k1x s ARG 57 Cb 0.00 -4.30 0.02 0.00 -1.56 0.00 0.00 34.95 29.11 2k1x s ARG 57 CO 0.00 -2.24 1.35 -0.47 -0.81 0.00 0.00 175.30 173.13 2k1x s TYR 58 N 8.10 2.31 -0.19 5.12 5.04 -1.26 -4.01 117.35 132.45 2k1x s TYR 58 Ca 0.80 0.30 -0.04 0.00 -2.44 0.00 0.00 57.07 55.69 2k1x s TYR 58 Cb -0.20 -4.48 0.06 0.00 0.35 0.00 0.00 41.96 37.69 2k1x s TYR 58 CO 0.30 -1.95 0.07 -0.46 -1.34 0.00 0.00 175.55 172.17 2k1x s TRP 59 N 5.92 0.57 0.25 4.97 -0.00 -0.58 -5.02 118.94 125.05 2k1x s TRP 59 Ca 0.45 -0.59 -0.20 0.00 -0.00 0.00 0.00 56.10 55.75 2k1x s TRP 59 Cb -0.09 -0.86 -0.09 0.00 -0.00 0.00 0.00 33.47 32.43 2k1x s TRP 59 CO 0.21 -0.58 0.76 0.16 -0.00 0.00 0.00 176.95 177.51 2k1x s ASP 60 N 2.01 7.08 -0.13 5.86 -4.77 -1.26 -0.34 116.67 125.12 2k1x s ASP 60 Ca 0.01 1.48 -0.08 0.00 -3.30 0.00 0.00 52.55 50.66 2k1x s ASP 60 Cb -0.16 -2.44 -0.04 0.00 -1.09 0.00 0.00 42.92 39.18 2k1x s ASP 60 CO -0.10 -0.00 0.16 -0.22 0.70 0.00 0.00 175.17 175.70 2k1x s LEU 61 N -2.07 4.35 0.00 2.11 2.96 0.86 -4.89 118.68 122.00 2k1x s LEU 61 Ca 0.45 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 2k1x s LEU 61 Cb -0.16 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.41 2k1x s LEU 61 CO 0.21 0.34 0.00 0.61 -1.32 0.00 0.00 176.35 176.19 2k1x n GLY 62 N 2.38 5.78 3.55 7.98 0.00 -1.26 -2.71 105.19 120.91 2k1x n GLY 62 Ca -0.18 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 2k1x n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1x s PRO 63 N 0.67 2.39 0.00 1.61 0.04 -1.26 -4.79 135.00 133.66 2k1x s PRO 63 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2k1x s PRO 63 Cb 0.00 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2k1x s PRO 63 CO 0.00 -2.97 0.00 0.41 0.04 0.00 0.00 177.00 174.48 2k1x n GLY 64 N 5.86 3.36 3.28 0.56 0.00 -0.94 -5.03 105.19 112.28 2k1x n GLY 64 Ca 0.30 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.10 2.42 -0.01 1.61 -6.30 -1.26 -3.47 118.70 109.59 2k1x s GLU 65 Ca 0.00 -0.91 0.02 0.00 -2.50 0.00 0.00 54.97 51.57 2k1x s GLU 65 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 34.13 32.01 2k1x s GLU 65 CO 0.00 0.43 -0.05 1.52 0.02 0.00 0.00 175.26 177.18 2k1x s TYR 66 N -0.29 0.50 -0.80 5.30 1.13 -0.66 -5.00 117.35 117.54 2k1x s TYR 66 Ca 0.00 -0.10 0.02 0.00 -1.41 0.00 0.00 57.07 55.59 2k1x s TYR 66 Cb -0.13 -0.35 0.23 0.00 -1.10 0.00 0.00 41.96 40.61 2k1x s TYR 66 CO 0.02 -0.03 0.81 0.43 -2.51 0.00 0.00 175.55 174.27 2k1x n SER 67 N 3.13 4.13 -4.86 -0.18 7.64 -1.26 -1.43 113.62 120.78 2k1x n SER 67 Ca -0.15 -3.30 -0.31 0.00 1.01 0.00 0.00 58.87 56.12 2k1x n SER 67 Cb 0.57 -0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 2k1x n SER 67 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k1x s SER 68 N -1.44 6.64 0.00 6.43 0.15 -1.23 -4.93 113.70 119.32 2k1x s SER 68 Ca 0.32 1.19 0.05 0.00 0.70 0.00 0.00 55.95 58.21 2k1x s SER 68 Cb 0.03 -2.34 0.08 0.00 -1.71 0.00 0.00 66.02 62.08 2k1x s SER 68 CO -0.07 -0.30 0.88 1.33 1.20 0.00 0.00 173.24 176.28 2k1x n VAL 69 N -0.83 0.00 0.00 4.45 0.24 -1.26 -3.56 118.33 117.37 2k1x n VAL 69 Ca 0.03 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2k1x n VAL 69 Cb 0.54 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 0.09 0.00 0.09 7.34 0.28 -1.26 -4.97 120.64 122.22 2k1x n GLU 70 Ca -0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.91 2k1x n GLU 70 Cb 0.72 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.69 2k1x n GLU 70 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k1x h SER 71 N 0.00 0.21 0.14 -1.84 0.87 -1.98 -3.35 113.55 107.60 2k1x h SER 71 Ca 0.00 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2k1x h SER 71 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2k1x h SER 71 CO 0.00 0.82 -0.07 0.00 -0.53 0.00 0.00 176.83 177.05 2k1x h ALA 72 N 1.18 -0.38 0.00 6.23 0.00 -1.93 -3.49 119.26 120.87 2k1x h ALA 72 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k1x h ALA 72 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k1x h ALA 72 CO 0.10 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.40 2k1x n GLY 73 N 0.87 1.24 2.37 0.00 0.00 -1.26 -5.09 105.19 103.32 2k1x n GLY 73 Ca -0.02 0.51 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 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 0.93 0.00 -0.61 2.08 -1.26 -4.94 119.36 115.55 2k1x n ILE 74 Ca 0.00 -4.72 0.00 0.00 0.56 0.00 0.00 62.75 58.59 2k1x n ILE 74 Cb 0.00 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.20 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 0.83 0.00 0.00 0.38 -0.04 -1.26 -5.02 135.00 129.89 2k1x n PRO 75 Ca 0.26 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2k1x n PRO 75 Cb 0.49 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.39 0.00 0.00 3.54 2.03 -1.26 -5.10 116.55 114.37 2k1x n ASP 76 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k1x n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k1x n ASP 76 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k1x n ASN 77 N 0.00 -1.54 -3.65 1.67 2.85 -1.26 -4.87 115.26 108.46 2k1x n ASN 77 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 2k1x n ASN 77 Cb 0.00 0.82 -0.04 0.00 1.24 0.00 0.00 39.78 41.80 2k1x n ASN 77 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2k1x s SER 78 N -0.91 -0.01 0.15 1.20 0.15 -1.26 -4.79 113.70 108.23 2k1x s SER 78 Ca 0.00 0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.72 2k1x s SER 78 Cb 0.00 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2k1x s SER 78 CO 0.00 -0.01 0.04 -0.63 1.20 0.00 0.00 173.24 173.84 2k1x s ILE 79 N -1.18 4.06 0.11 6.45 1.01 -1.26 -4.57 121.20 125.81 2k1x s ILE 79 Ca 0.10 -1.19 -0.18 0.00 0.00 0.00 0.00 60.65 59.38 2k1x s ILE 79 Cb -0.01 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.48 2k1x s ILE 79 CO -0.07 -0.05 0.45 -0.94 0.00 0.00 0.00 174.94 174.32 2k1x s SER 80 N -2.82 -0.31 0.09 3.58 1.04 -1.26 -0.04 113.70 113.98 2k1x s SER 80 Ca 0.28 -0.18 -0.25 0.00 0.48 0.00 0.00 55.95 56.28 2k1x s SER 80 Cb -0.10 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.58 2k1x s SER 80 CO 0.20 -0.84 0.64 -0.55 0.98 0.00 0.00 173.24 173.68 2k1x s SER 81 N -2.62 -0.58 -0.15 7.02 0.15 -0.35 -4.11 113.70 113.06 2k1x s SER 81 Ca 0.01 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 2k1x s SER 81 Cb 0.01 0.57 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 2k1x s SER 81 CO -0.10 -0.85 0.39 0.72 1.20 0.00 0.00 173.24 174.60 2k1x s PHE 82 N -3.02 -0.48 -0.18 3.44 -0.71 -1.26 -1.87 117.98 113.90 2k1x s PHE 82 Ca -0.02 1.11 -0.17 0.00 -1.04 0.00 0.00 56.93 56.81 2k1x s PHE 82 Cb -0.01 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 2k1x s PHE 82 CO -0.07 -0.26 0.43 1.03 -1.34 0.00 0.00 175.22 175.01 2k1x s ARG 83 N 0.70 4.22 -0.09 1.99 1.81 -1.13 -4.88 118.95 121.57 2k1x s ARG 83 Ca -0.04 0.28 -0.19 0.00 -1.72 0.00 0.00 55.73 54.07 2k1x s ARG 83 Cb -0.05 -3.51 -0.04 0.00 -0.45 0.00 0.00 34.95 30.89 2k1x s ARG 83 CO -0.05 0.01 0.50 -1.14 -0.68 0.00 0.00 175.30 173.94 2k1x s GLN 84 N 1.14 4.31 0.00 3.54 -0.44 -1.26 -3.59 119.66 123.36 2k1x s GLN 84 Ca 0.21 0.51 0.00 0.00 -2.50 0.00 0.00 55.36 53.58 2k1x s GLN 84 Cb -0.15 -3.41 0.00 0.00 -1.64 0.00 0.00 33.01 27.82 2k1x s GLN 84 CO 0.08 0.22 0.03 0.44 0.50 0.00 0.00 175.29 176.56