#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 4.41 -0.44 7.83 0.02 -1.26 -4.99 114.94 120.51 2k1x s ASN 2 Ca 0.00 -0.30 0.07 0.00 -1.02 0.00 0.00 52.86 51.61 2k1x s ASN 2 Cb 0.00 -1.73 0.34 0.00 0.02 0.00 0.00 41.25 39.88 2k1x s ASN 2 CO 0.00 0.07 1.17 0.00 0.02 0.00 0.00 177.10 178.35 2k1x n ALA 3 N 4.21 -0.04 -2.71 0.60 0.00 -1.24 -4.98 120.51 116.36 2k1x n ALA 3 Ca -0.18 -1.52 -0.04 0.00 0.00 0.00 0.00 53.44 51.70 2k1x n ALA 3 Cb 0.52 -1.10 0.10 0.00 0.00 0.00 0.00 19.45 18.97 2k1x n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1x n ALA 4 N 0.08 2.42 -2.83 0.00 0.00 -1.26 -4.76 120.51 114.17 2k1x n ALA 4 Ca 0.04 -1.64 -0.43 0.00 0.00 0.00 0.00 53.44 51.42 2k1x n ALA 4 Cb 0.74 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 2k1x n ALA 4 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k1x s GLU 5 N -0.90 3.30 -0.05 0.00 -6.30 -1.26 -4.51 118.70 108.97 2k1x s GLU 5 Ca 0.18 -1.09 0.05 0.00 -2.50 0.00 0.00 54.97 51.61 2k1x s GLU 5 Cb 0.41 -4.52 -0.02 0.00 0.00 0.00 0.00 34.13 30.00 2k1x s GLU 5 CO -0.08 -1.86 -0.20 0.14 0.02 0.00 0.00 175.26 173.28 2k1x s VAL 6 N 3.85 2.54 -0.41 3.70 -7.23 -1.26 -4.79 120.40 116.80 2k1x s VAL 6 Ca 0.28 -0.91 -0.15 0.00 -1.81 0.00 0.00 61.98 59.39 2k1x s VAL 6 Cb -0.11 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.89 2k1x s VAL 6 CO 0.03 0.58 0.32 -0.51 -0.31 0.00 0.00 175.10 175.21 2k1x s ILE 7 N -0.52 5.24 0.24 -0.62 2.07 -1.20 -4.56 121.20 121.85 2k1x s ILE 7 Ca 0.07 -0.58 0.10 0.00 -1.41 0.00 0.00 60.65 58.83 2k1x s ILE 7 Cb -0.11 -3.93 -0.05 0.00 0.13 0.00 0.00 42.46 38.50 2k1x s ILE 7 CO 0.01 -0.31 -0.18 0.68 -1.91 0.00 0.00 174.94 173.24 2k1x s VAL 8 N 1.75 2.15 -0.06 4.00 -7.23 -1.24 -2.43 120.40 117.34 2k1x s VAL 8 Ca 0.06 -2.30 0.02 0.00 -1.81 0.00 0.00 61.98 57.94 2k1x s VAL 8 Cb -0.19 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2k1x s VAL 8 CO 0.11 -0.47 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.02 2k1x s TYR 9 N -2.67 2.86 -0.42 2.82 1.51 -0.37 -0.44 117.35 120.64 2k1x s TYR 9 Ca 0.26 -0.04 0.06 0.00 -1.01 0.00 0.00 57.07 56.34 2k1x s TYR 9 Cb -0.03 -1.68 0.69 0.00 -0.11 0.00 0.00 41.96 40.82 2k1x s TYR 9 CO 0.11 0.28 1.89 -1.91 -1.11 0.00 0.00 175.55 174.82 2k1x n GLU 10 N 2.26 2.65 -3.21 -0.62 4.07 0.92 -3.84 120.64 122.86 2k1x n GLU 10 Ca -0.18 -3.04 0.00 0.00 -0.06 0.00 0.00 57.16 53.89 2k1x n GLU 10 Cb 0.53 -2.19 0.00 0.00 -0.06 0.00 0.00 31.44 29.71 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2k1x n HIS 11 N -0.89 0.00 -1.12 4.31 8.25 -1.25 -4.55 115.22 119.97 2k1x n HIS 11 Ca 0.55 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.69 2k1x n HIS 11 Cb 1.61 0.00 0.12 0.00 1.12 0.00 0.00 29.99 32.84 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 2.39 -0.82 1.59 1.01 -1.26 -3.13 120.40 117.18 2k1x s VAL 12 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2k1x s VAL 12 Cb 0.00 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 2k1x s VAL 12 CO 0.00 -0.14 3.09 -0.46 0.00 0.00 0.00 175.10 177.59 2k1x n ASN 13 N -3.43 7.05 -0.46 3.32 0.23 -1.26 -3.36 115.26 117.35 2k1x n ASN 13 Ca 0.12 -2.72 -0.01 0.00 -0.53 0.00 0.00 54.58 51.44 2k1x n ASN 13 Cb 0.51 -1.43 -0.01 0.00 -2.08 0.00 0.00 39.78 36.78 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 2.49 0.00 0.00 -2.53 -1.74 -1.26 -5.01 117.46 109.41 2k1x n PHE 14 Ca 0.59 -0.05 0.00 0.00 -0.56 0.00 0.00 57.45 57.43 2k1x n PHE 14 Cb 0.53 0.26 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 3.30 4.97 0.00 -1.21 -5.18 105.19 107.07 2k1x n GLY 15 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 1.60 0.24 -0.02 0.00 -1.21 -4.70 107.32 103.23 2k1x s GLY 16 Ca 0.00 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 42.85 2k1x s GLY 16 CO 0.00 -1.29 0.69 1.25 0.00 0.00 0.00 173.10 173.76 2k1x s LYS 17 N -3.81 4.13 0.31 2.90 2.36 -1.26 -4.91 119.74 119.47 2k1x s LYS 17 Ca 0.37 0.74 0.10 0.00 -2.55 0.00 0.00 55.97 54.62 2k1x s LYS 17 Cb 0.04 -2.77 -0.05 0.00 -1.05 0.00 0.00 37.83 34.00 2k1x s LYS 17 CO 0.17 0.34 -0.06 -1.54 1.55 0.00 0.00 175.35 175.82 2k1x s SER 18 N -1.85 4.02 -0.06 1.43 1.04 -1.26 -0.06 113.70 116.97 2k1x s SER 18 Ca 0.45 -0.98 0.05 0.00 0.48 0.00 0.00 55.95 55.96 2k1x s SER 18 Cb -0.15 -0.50 -0.01 0.00 0.10 0.00 0.00 66.02 65.46 2k1x s SER 18 CO 0.20 -0.13 -0.22 -0.36 0.98 0.00 0.00 173.24 173.71 2k1x s PHE 19 N -2.50 2.51 -0.30 5.02 0.40 0.42 -4.95 117.98 118.57 2k1x s PHE 19 Ca 0.33 -0.61 0.18 0.00 -0.60 0.00 0.00 56.93 56.23 2k1x s PHE 19 Cb -0.02 -1.62 0.47 0.00 0.51 0.00 0.00 43.02 42.36 2k1x s PHE 19 CO 0.18 -0.14 1.23 -0.40 0.70 0.00 0.00 175.22 176.79 2k1x n ASP 20 N 2.87 0.42 -4.87 1.36 5.68 -1.26 -3.69 116.55 117.07 2k1x n ASP 20 Ca -0.17 -2.20 -0.31 0.00 -0.50 0.00 0.00 54.79 51.60 2k1x n ASP 20 Cb 0.52 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k1x s ALA 21 N -2.29 3.12 -0.41 2.12 0.00 -1.26 -5.04 121.76 117.99 2k1x s ALA 21 Ca 0.22 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.19 2k1x s ALA 21 Cb 0.38 -3.05 0.24 0.00 0.00 0.00 0.00 23.12 20.69 2k1x s ALA 21 CO -0.06 -0.56 0.52 2.41 0.00 0.00 0.00 175.76 178.07 2k1x n THR 22 N -2.44 -0.54 0.00 0.00 -1.04 -1.26 -4.27 114.28 104.73 2k1x n THR 22 Ca 0.06 -4.04 0.00 0.00 -2.04 0.00 0.00 64.05 58.03 2k1x n THR 22 Cb 0.54 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 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 1.49 0.00 -3.15 8.00 7.64 -1.26 -4.97 113.62 121.37 2k1x n SER 23 Ca 0.22 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.16 2k1x n SER 23 Cb 0.52 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 1.79 -0.07 0.65 6.43 -1.08 -1.26 -3.68 116.67 119.45 2k1x s ASP 24 Ca 0.00 0.01 -0.11 0.00 -0.52 0.00 0.00 52.55 51.93 2k1x s ASP 24 Cb 0.00 1.05 -0.02 0.00 -1.46 0.00 0.00 42.92 42.49 2k1x s ASP 24 CO 0.00 -0.01 1.05 -1.10 0.52 0.00 0.00 175.17 175.63 2k1x s GLN 25 N 2.99 3.28 0.06 4.34 -1.52 -1.26 -5.08 119.66 122.47 2k1x s GLN 25 Ca 0.27 0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 54.29 2k1x s GLN 25 Cb -0.01 -2.06 0.01 0.00 -0.22 0.00 0.00 33.01 30.74 2k1x s GLN 25 CO -0.20 -0.76 0.07 -0.35 -0.25 0.00 0.00 175.29 173.79 2k1x n PRO 26 N -2.85 -0.64 0.00 2.91 -0.04 -1.26 -5.04 135.00 128.07 2k1x n PRO 26 Ca 0.06 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2k1x n PRO 26 Cb 0.55 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 3.19 -2.13 3.60 0.55 0.00 -1.26 -5.00 105.19 104.13 2k1x n GLY 27 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2k1x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1x s ALA 28 N -2.00 -2.03 0.00 4.61 0.00 -1.26 -4.59 121.76 116.48 2k1x s ALA 28 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2k1x s ALA 28 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2k1x s ALA 28 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2k1x n GLY 29 N 0.28 1.10 0.00 0.00 0.00 -1.26 -4.82 105.19 100.49 2k1x n GLY 29 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2k1x n GLY 29 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k1x n ASP 30 N 0.00 0.00 -4.58 1.61 5.75 -1.26 -5.17 116.55 112.90 2k1x n ASP 30 Ca 0.00 -0.98 -0.29 0.00 -0.01 0.00 0.00 54.79 53.51 2k1x n ASP 30 Cb 0.00 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.30 2k1x n ASP 30 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2k1x s ASN 31 N -0.93 1.85 0.00 -1.12 3.84 -1.26 -4.88 114.94 112.44 2k1x s ASN 31 Ca 0.00 1.52 0.00 0.00 0.21 0.00 0.00 52.86 54.59 2k1x s ASN 31 Cb 0.00 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.47 2k1x s ASN 31 CO 0.00 -3.66 0.11 0.18 -2.79 0.00 0.00 177.10 170.94 2k1x n LEU 32 N -4.56 0.23 -3.95 3.21 4.32 -1.26 -4.33 117.00 110.66 2k1x n LEU 32 Ca 0.05 0.11 -0.43 0.00 -0.02 0.00 0.00 56.01 55.72 2k1x n LEU 32 Cb 0.55 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.35 2k1x n LEU 32 CO 0.56 0.00 1.50 -0.46 -1.22 0.00 0.00 177.39 177.78 2k1x n ASN 33 N -0.15 5.81 -2.86 -1.43 6.94 -1.26 -4.13 115.26 118.18 2k1x n ASN 33 Ca 0.00 -3.27 -0.11 0.00 -0.02 0.00 0.00 54.58 51.18 2k1x n ASN 33 Cb 0.00 -1.37 0.06 0.00 -2.36 0.00 0.00 39.78 36.11 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k1x n ASP 34 N 2.53 -1.39 -4.45 0.53 2.03 -1.26 -5.09 116.55 109.44 2k1x n ASP 34 Ca 0.32 -3.46 -0.37 0.00 0.52 0.00 0.00 54.79 51.81 2k1x n ASP 34 Cb 0.35 1.16 -0.12 0.00 -0.72 0.00 0.00 41.12 41.78 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 -0.53 3.64 -0.30 -0.67 2.47 -1.26 -4.74 119.74 118.35 2k1x s LYS 35 Ca 0.27 -0.49 -0.11 0.00 -1.56 0.00 0.00 55.97 54.08 2k1x s LYS 35 Cb 0.31 -3.36 0.18 0.00 -1.46 0.00 0.00 37.83 33.51 2k1x s LYS 35 CO -0.06 -0.21 1.03 -1.50 0.16 0.00 0.00 175.35 174.78 2k1x s ILE 36 N 1.62 -0.29 0.00 5.43 2.07 -1.26 -4.84 121.20 123.93 2k1x s ILE 36 Ca 0.06 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 2k1x s ILE 36 Cb -0.15 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 41.96 2k1x s ILE 36 CO 0.04 0.00 0.00 -1.54 -1.91 0.00 0.00 174.94 171.53 2k1x n SER 37 N 5.22 0.00 -4.26 4.50 3.41 -1.24 -3.78 113.62 117.47 2k1x n SER 37 Ca 0.05 -0.75 -0.21 0.00 -0.26 0.00 0.00 58.87 57.70 2k1x n SER 37 Cb 0.57 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.26 2.24 -0.03 4.04 0.01 -1.19 -3.50 113.70 115.01 2k1x s SER 38 Ca 0.00 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.60 2k1x s SER 38 Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 2k1x s SER 38 CO 0.00 -0.04 -0.24 -0.63 0.41 0.00 0.00 173.24 172.74 2k1x s ILE 39 N -1.57 1.95 -0.06 1.44 1.09 0.91 -1.24 121.20 123.71 2k1x s ILE 39 Ca 0.07 -1.04 -0.02 0.00 -1.10 0.00 0.00 60.65 58.56 2k1x s ILE 39 Cb -0.08 -1.63 0.03 0.00 -1.06 0.00 0.00 42.46 39.72 2k1x s ILE 39 CO 0.04 0.55 0.03 -0.75 -0.10 0.00 0.00 174.94 174.70 2k1x s LYS 40 N -0.38 0.33 -0.08 2.79 2.36 -1.02 0.24 119.74 123.97 2k1x s LYS 40 Ca 0.04 0.21 -0.00 0.00 -2.55 0.00 0.00 55.97 53.66 2k1x s LYS 40 Cb -0.11 -0.82 -0.03 0.00 -1.05 0.00 0.00 37.83 35.82 2k1x s LYS 40 CO 0.01 -0.32 -0.04 0.54 1.55 0.00 0.00 175.35 177.08 2k1x s VAL 41 N 2.05 3.93 -0.25 4.02 0.11 -1.23 -3.27 120.40 125.76 2k1x s VAL 41 Ca 0.05 -0.39 0.22 0.00 -2.93 0.00 0.00 61.98 58.93 2k1x s VAL 41 Cb -0.12 -2.63 0.50 0.00 -1.53 0.00 0.00 36.38 32.60 2k1x s VAL 41 CO -0.04 0.59 1.12 1.17 -3.33 0.00 0.00 175.10 174.61 2k1x n LYS 42 N 2.31 1.84 0.00 1.54 0.00 -1.26 -3.81 118.16 118.78 2k1x n LYS 42 Ca -0.18 -3.51 0.00 0.00 0.00 0.00 0.00 58.31 54.62 2k1x n LYS 42 Cb 0.53 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.95 2k1x n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2k1x n SER 43 N -0.57 0.00 0.00 3.14 7.64 -1.26 -5.07 113.62 117.50 2k1x n SER 43 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2k1x n SER 43 Cb 0.83 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1x n GLY 44 N 0.00 2.38 3.17 0.23 0.00 -1.26 -4.80 105.19 104.91 2k1x n GLY 44 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 0.16 0.50 2.61 -4.23 -1.26 -4.32 115.64 109.10 2k1x s THR 45 Ca 0.00 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2k1x s THR 45 Cb 0.00 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 2k1x s THR 45 CO 0.00 -0.74 0.05 0.79 -0.54 0.00 0.00 174.62 174.18 2k1x n TRP 46 N -0.02 0.90 -3.82 3.99 8.01 -1.19 -4.39 117.44 120.92 2k1x n TRP 46 Ca -0.14 -2.65 -0.26 0.00 -1.31 0.00 0.00 57.50 53.13 2k1x n TRP 46 Cb 0.62 -0.25 -0.17 0.00 -2.01 0.00 0.00 31.31 29.51 2k1x n TRP 46 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2k1x s ARG 47 N -3.82 1.02 -0.21 -0.99 3.00 -1.26 -2.41 118.95 114.28 2k1x s ARG 47 Ca 0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 55.73 55.41 2k1x s ARG 47 Cb 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 34.95 33.21 2k1x s ARG 47 CO 0.05 -0.43 0.13 -0.06 0.00 0.00 0.00 175.30 174.99 2k1x s PHE 48 N 1.79 3.34 -0.03 -0.53 0.08 0.58 -2.63 117.98 120.59 2k1x s PHE 48 Ca 0.02 0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.30 2k1x s PHE 48 Cb -0.15 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2k1x s PHE 48 CO -0.07 0.17 0.05 1.52 -0.10 0.00 0.00 175.22 176.79 2k1x s TYR 49 N 0.65 0.03 -0.79 0.36 -0.85 -0.90 -1.52 117.35 114.34 2k1x s TYR 49 Ca 0.07 0.19 -0.11 0.00 -0.52 0.00 0.00 57.07 56.70 2k1x s TYR 49 Cb -0.12 -0.32 0.21 0.00 0.38 0.00 0.00 41.96 42.10 2k1x s TYR 49 CO 0.01 -0.13 0.70 -1.21 -1.52 0.00 0.00 175.55 173.40 2k1x s GLU 50 N 1.49 3.38 0.00 -3.49 8.01 -1.26 -1.81 118.70 125.03 2k1x s GLU 50 Ca -0.04 -2.52 0.00 0.00 0.01 0.00 0.00 54.97 52.42 2k1x s GLU 50 Cb -0.13 -4.27 0.00 0.00 -4.31 0.00 0.00 34.13 25.43 2k1x s GLU 50 CO -0.03 -1.26 0.00 0.66 0.01 0.00 0.00 175.26 174.64 2k1x n TYR 51 N 3.78 0.00 -0.70 1.61 4.01 0.10 -4.40 117.16 121.56 2k1x n TYR 51 Ca 0.13 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.56 2k1x n TYR 51 Cb 0.44 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.63 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 2.22 0.00 -0.88 -0.72 0.13 -1.26 -3.71 119.36 115.14 2k1x n ILE 52 Ca 0.00 -0.08 -0.20 0.00 -1.10 0.00 0.00 62.75 61.36 2k1x n ILE 52 Cb 0.00 -0.88 -0.07 0.00 -0.84 0.00 0.00 39.64 37.85 2k1x n ILE 52 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2k1x n ASN 53 N -3.39 5.38 0.00 9.51 4.05 -1.26 -2.94 115.26 126.61 2k1x n ASN 53 Ca 0.10 -2.34 0.00 0.00 0.45 0.00 0.00 54.58 52.79 2k1x n ASN 53 Cb 0.53 -1.19 0.00 0.00 1.23 0.00 0.00 39.78 40.35 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2k1x n TYR 54 N 3.35 0.00 -0.07 1.20 4.01 -1.26 -5.15 117.16 119.24 2k1x n TYR 54 Ca 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 2k1x n TYR 54 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.52 5.04 0.00 2.72 0.00 -1.15 -5.17 105.19 106.11 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 -1.85 3.58 -0.02 0.00 -1.26 -4.52 105.19 101.12 2k1x n GLY 56 Ca 0.00 -2.17 -0.42 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 -0.53 3.36 -0.49 1.61 1.04 -1.26 -4.93 118.95 117.75 2k1x s ARG 57 Ca 0.00 0.61 -0.29 0.00 -1.04 0.00 0.00 55.73 55.01 2k1x s ARG 57 Cb 0.00 -4.10 0.03 0.00 -2.04 0.00 0.00 34.95 28.84 2k1x s ARG 57 CO 0.00 -1.85 1.18 -0.47 -0.04 0.00 0.00 175.30 174.12 2k1x s TYR 58 N 5.96 2.73 -0.20 5.89 5.04 -1.26 -4.04 117.35 131.47 2k1x s TYR 58 Ca 0.56 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.80 2k1x s TYR 58 Cb -0.12 -4.45 0.07 0.00 0.35 0.00 0.00 41.96 37.81 2k1x s TYR 58 CO 0.27 -1.40 0.08 -0.46 -1.34 0.00 0.00 175.55 172.70 2k1x s TRP 59 N 4.67 0.51 0.31 4.97 -0.00 -0.57 -5.01 118.94 123.82 2k1x s TRP 59 Ca 0.48 -0.60 -0.02 0.00 -0.00 0.00 0.00 56.10 55.96 2k1x s TRP 59 Cb -0.08 -0.86 -0.04 0.00 -0.00 0.00 0.00 33.47 32.49 2k1x s TRP 59 CO 0.31 -0.60 0.54 0.16 -0.00 0.00 0.00 176.95 177.36 2k1x s ASP 60 N 2.03 6.36 0.18 5.86 -4.77 -1.26 -0.30 116.67 124.76 2k1x s ASP 60 Ca 0.02 0.56 0.11 0.00 -3.30 0.00 0.00 52.55 49.94 2k1x s ASP 60 Cb -0.16 -2.08 -0.04 0.00 -1.09 0.00 0.00 42.92 39.55 2k1x s ASP 60 CO -0.13 -0.24 -0.23 -1.48 0.70 0.00 0.00 175.17 173.80 2k1x s LEU 61 N -3.93 2.42 0.51 2.11 2.34 -1.01 -4.93 118.68 116.19 2k1x s LEU 61 Ca 0.41 -0.85 0.01 0.00 0.06 0.00 0.00 54.13 53.76 2k1x s LEU 61 Cb -0.10 -1.08 -0.01 0.00 -0.56 0.00 0.00 46.19 44.44 2k1x s LEU 61 CO 0.33 0.09 0.02 -0.83 -1.06 0.00 0.00 176.35 174.90 2k1x s GLY 62 N -2.60 3.05 -0.68 -3.48 0.00 -1.26 -3.19 107.32 99.16 2k1x s GLY 62 Ca 0.19 -0.26 -0.35 0.00 0.00 0.00 0.00 44.72 44.29 2k1x s GLY 62 CO 0.09 -2.17 2.41 -1.05 0.00 0.00 0.00 173.10 172.38 2k1x n PRO 63 N -1.26 0.29 0.00 2.90 -0.02 -1.26 -4.74 135.00 130.91 2k1x n PRO 63 Ca -0.19 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2k1x n PRO 63 Cb 0.67 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 6.77 3.16 3.92 -1.23 0.00 -1.25 -5.04 105.19 111.52 2k1x n GLY 64 Ca 0.55 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.17 1.37 -0.29 1.61 2.12 -1.26 -3.47 118.70 116.61 2k1x s GLU 65 Ca 0.00 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.16 2k1x s GLU 65 Cb 0.00 -1.94 0.20 0.00 0.26 0.00 0.00 34.13 32.65 2k1x s GLU 65 CO 0.00 -1.93 0.62 -0.47 -0.54 0.00 0.00 175.26 172.94 2k1x s TYR 66 N -3.67 -1.78 -1.12 5.30 5.04 0.14 -4.93 117.35 116.33 2k1x s TYR 66 Ca 0.67 1.01 -0.04 0.00 -2.44 0.00 0.00 57.07 56.28 2k1x s TYR 66 Cb -0.07 0.31 0.27 0.00 0.35 0.00 0.00 41.96 42.81 2k1x s TYR 66 CO 0.50 -1.04 1.75 -1.13 -1.34 0.00 0.00 175.55 174.29 2k1x n SER 67 N 5.37 6.74 -4.87 4.32 3.41 -1.26 -0.06 113.62 127.27 2k1x n SER 67 Ca 0.05 -3.43 -0.31 0.00 -0.26 0.00 0.00 58.87 54.92 2k1x n SER 67 Cb 0.54 -1.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.17 2k1x n SER 67 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2k1x s SER 68 N -1.06 6.63 0.00 4.04 1.04 -1.23 -4.97 113.70 118.16 2k1x s SER 68 Ca 0.37 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.95 2k1x s SER 68 Cb 0.12 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2k1x s SER 68 CO -0.00 -0.27 0.56 0.55 0.98 0.00 0.00 173.24 175.06 2k1x n VAL 69 N -0.75 0.00 0.00 5.02 3.14 -1.26 -3.66 118.33 120.81 2k1x n VAL 69 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2k1x n VAL 69 Cb 0.53 0.15 0.00 0.00 -1.06 0.00 0.00 33.84 33.46 2k1x n VAL 69 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k1x n GLU 70 N 0.00 0.00 0.00 1.45 0.28 -1.26 -4.94 120.64 116.17 2k1x n GLU 70 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2k1x n GLU 70 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 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 0.00 0.00 -0.05 -1.84 2.88 -1.26 -4.96 113.62 108.39 2k1x n SER 71 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 2k1x n SER 71 Cb 0.00 0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.14 0.00 -1.46 0.00 -1.95 -3.45 119.26 112.55 2k1x h ALA 72 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k1x h ALA 72 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k1x h ALA 72 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.18 2k1x n GLY 73 N -1.22 -0.07 2.82 0.00 0.00 -1.26 -4.94 105.19 100.52 2k1x n GLY 73 Ca -0.02 0.69 -0.33 0.00 0.00 0.00 0.00 46.02 46.37 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 3.02 -0.55 -0.61 2.08 -1.26 -4.87 119.36 117.17 2k1x n ILE 74 Ca 0.00 -5.27 0.00 0.00 0.56 0.00 0.00 62.75 58.04 2k1x n ILE 74 Cb 0.00 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 36.69 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 1.57 0.41 -2.79 0.38 -0.04 -1.26 -5.04 135.00 128.23 2k1x n PRO 75 Ca 0.25 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 2k1x n PRO 75 Cb 0.37 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.69 0.76 -1.46 3.54 8.00 -1.26 -4.00 116.55 120.45 2k1x n ASP 76 Ca 0.00 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.40 2k1x n ASP 76 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2k1x n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k1x n ASN 77 N -0.81 -0.21 -4.37 -2.24 2.85 -1.26 -4.70 115.26 104.52 2k1x n ASN 77 Ca 0.01 -1.05 -0.45 0.00 -0.11 0.00 0.00 54.58 52.97 2k1x n ASN 77 Cb 0.82 0.32 -0.00 0.00 1.24 0.00 0.00 39.78 42.16 2k1x n ASN 77 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2k1x s SER 78 N -1.46 7.19 -0.44 1.20 1.04 -1.26 -4.64 113.70 115.33 2k1x s SER 78 Ca 0.05 -3.31 0.07 0.00 0.48 0.00 0.00 55.95 53.24 2k1x s SER 78 Cb -0.00 -2.26 0.27 0.00 0.10 0.00 0.00 66.02 64.13 2k1x s SER 78 CO 0.00 -0.45 0.81 2.30 0.98 0.00 0.00 173.24 176.88 2k1x n ILE 79 N 3.37 -0.21 -3.59 -1.02 -5.35 -1.26 -5.03 119.36 106.26 2k1x n ILE 79 Ca 0.26 -2.56 -0.12 0.00 -0.27 0.00 0.00 62.75 60.06 2k1x n ILE 79 Cb 0.41 0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.58 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2k1x s SER 80 N -1.57 -0.48 0.15 7.28 1.04 -1.24 0.00 113.70 118.88 2k1x s SER 80 Ca 0.32 0.71 -0.25 0.00 0.48 0.00 0.00 55.95 57.22 2k1x s SER 80 Cb 0.24 0.65 0.06 0.00 0.10 0.00 0.00 66.02 67.07 2k1x s SER 80 CO -0.15 -0.31 0.82 -0.55 0.98 0.00 0.00 173.24 174.02 2k1x s SER 81 N -0.53 -0.32 -0.10 7.02 0.15 -0.75 -4.61 113.70 114.56 2k1x s SER 81 Ca -0.01 -0.28 -0.14 0.00 0.70 0.00 0.00 55.95 56.22 2k1x s SER 81 Cb -0.02 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2k1x s SER 81 CO 0.00 -0.95 0.37 0.72 1.20 0.00 0.00 173.24 174.58 2k1x s PHE 82 N -3.48 -0.36 0.85 3.44 -0.71 -1.26 -2.11 117.98 114.34 2k1x s PHE 82 Ca 0.08 0.82 -0.13 0.00 -1.04 0.00 0.00 56.93 56.66 2k1x s PHE 82 Cb -0.02 0.14 0.11 0.00 -1.21 0.00 0.00 43.02 42.04 2k1x s PHE 82 CO -0.02 -0.27 1.21 1.03 -1.34 0.00 0.00 175.22 175.84 2k1x s ARG 83 N -0.26 1.62 -0.25 1.99 1.81 -1.08 -4.72 118.95 118.06 2k1x s ARG 83 Ca -0.04 -0.02 -0.02 0.00 -1.72 0.00 0.00 55.73 53.93 2k1x s ARG 83 Cb -0.03 -1.92 0.12 0.00 -0.45 0.00 0.00 34.95 32.67 2k1x s ARG 83 CO 0.02 -1.81 0.30 -0.65 -0.68 0.00 0.00 175.30 172.48 2k1x s GLN 84 N -5.65 0.30 0.00 3.54 -0.21 -1.26 -4.34 119.66 112.03 2k1x s GLN 84 Ca 0.65 0.17 0.00 0.00 0.02 0.00 0.00 55.36 56.20 2k1x s GLN 84 Cb -0.09 -0.76 0.00 0.00 1.00 0.00 0.00 33.01 33.16 2k1x s GLN 84 CO 0.50 -0.81 0.25 0.44 -2.12 0.00 0.00 175.29 173.55