#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 n ALA 2 N 0.00 0.00 -0.92 3.04 0.00 -1.26 -4.62 120.51 116.76 1q48 n ALA 2 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1q48 n ALA 2 Cb 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1q48 n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q48 n TYR 3 N -0.87 -2.25 -3.30 0.00 4.01 -1.26 -4.88 117.16 108.62 1q48 n TYR 3 Ca 0.00 1.13 -0.09 0.00 -0.16 0.00 0.00 57.90 58.78 1q48 n TYR 3 Cb 0.09 -2.04 0.01 0.00 -0.31 0.00 0.00 39.34 37.08 1q48 n TYR 3 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1q48 n SER 4 N -4.36 -6.84 -3.95 7.72 7.64 -1.26 -5.01 113.62 107.55 1q48 n SER 4 Ca 0.00 -0.39 -0.17 0.00 1.01 0.00 0.00 58.87 59.32 1q48 n SER 4 Cb 0.60 -4.26 -0.15 0.00 -1.01 0.00 0.00 64.21 59.40 1q48 n SER 4 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1q48 s GLU 5 N -3.75 0.54 0.86 1.43 2.02 -1.26 -5.15 118.70 113.40 1q48 s GLU 5 Ca 0.05 -0.19 -0.12 0.00 0.02 0.00 0.00 54.97 54.73 1q48 s GLU 5 Cb -0.01 -0.53 0.11 0.00 0.10 0.00 0.00 34.13 33.79 1q48 s GLU 5 CO 0.79 0.09 1.12 0.15 0.02 0.00 0.00 175.26 177.43 1q48 s LYS 6 N 0.07 1.54 -0.63 1.61 1.02 -1.26 -5.00 119.74 117.09 1q48 s LYS 6 Ca -0.00 0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.46 1q48 s LYS 6 Cb -0.05 -1.87 0.28 0.00 -0.52 0.00 0.00 37.83 35.67 1q48 s LYS 6 CO -0.00 -1.95 0.83 0.28 -0.92 0.00 0.00 175.35 173.59 1q48 n VAL 7 N -3.62 2.66 0.00 3.17 0.31 -1.26 -4.89 118.33 114.70 1q48 n VAL 7 Ca 0.07 -5.35 0.00 0.00 -0.01 0.00 0.00 64.34 59.04 1q48 n VAL 7 Cb 0.58 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1q48 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1q48 n ILE 8 N 0.52 0.00 -0.32 2.52 5.41 -1.26 -4.52 119.36 121.71 1q48 n ILE 8 Ca 0.30 0.03 0.29 0.00 1.00 0.00 0.00 62.75 64.37 1q48 n ILE 8 Cb 0.40 -0.90 0.44 0.00 -0.71 0.00 0.00 39.64 38.87 1q48 n ILE 8 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1q48 n ASP 9 N -1.46 0.00 -4.68 4.38 5.68 -1.26 -3.94 116.55 115.28 1q48 n ASP 9 Ca 0.00 0.64 -0.40 0.00 -0.50 0.00 0.00 54.79 54.52 1q48 n ASP 9 Cb 0.00 -0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 39.66 1q48 n ASP 9 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1q48 s HIS 10 N -4.05 3.43 0.93 2.11 2.46 -1.26 -5.02 115.29 113.89 1q48 s HIS 10 Ca -0.03 1.07 -0.16 0.00 0.47 0.00 0.00 55.06 56.42 1q48 s HIS 10 Cb 0.14 -2.85 -0.09 0.00 -0.13 0.00 0.00 32.58 29.65 1q48 s HIS 10 CO 0.48 -0.13 -0.33 0.66 -2.47 0.00 0.00 174.74 172.95 1q48 n TYR 11 N 4.80 -3.71 -1.75 3.88 4.01 -1.25 -4.90 117.16 118.23 1q48 n TYR 11 Ca -0.00 0.10 0.06 0.00 -0.16 0.00 0.00 57.90 57.90 1q48 n TYR 11 Cb 0.50 -1.58 0.15 0.00 -0.31 0.00 0.00 39.34 38.10 1q48 n TYR 11 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1q48 n GLU 12 N 1.05 1.14 -3.52 -0.72 1.02 -1.26 -4.99 120.64 113.36 1q48 n GLU 12 Ca 0.02 -2.84 -0.30 0.00 -0.02 0.00 0.00 57.16 54.01 1q48 n GLU 12 Cb 0.54 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 1q48 n GLU 12 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q48 s ASN 13 N -2.84 6.50 0.00 1.62 2.20 -1.26 -5.05 114.94 116.11 1q48 s ASN 13 Ca 0.35 0.68 0.00 0.00 -0.94 0.00 0.00 52.86 52.95 1q48 s ASN 13 Cb 0.35 -2.13 0.00 0.00 -2.00 0.00 0.00 41.25 37.47 1q48 s ASN 13 CO -0.08 -0.06 0.57 -0.81 -2.94 0.00 0.00 177.10 173.79 1q48 n PRO 14 N -0.34 0.00 0.00 3.55 -0.04 -1.26 -4.85 135.00 132.05 1q48 n PRO 14 Ca -0.02 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1q48 n PRO 14 Cb 0.53 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1q48 n PRO 14 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1q48 n ARG 15 N -1.17 2.22 0.00 0.54 3.00 -1.26 -5.04 116.66 114.95 1q48 n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1q48 n ARG 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1q48 n ARG 15 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1q48 n ASN 16 N 0.00 0.00 -4.92 6.15 2.85 -1.26 -5.10 115.26 112.98 1q48 n ASN 16 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 1q48 n ASN 16 Cb 0.00 0.09 -0.00 0.00 1.24 0.00 0.00 39.78 41.11 1q48 n ASN 16 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1q48 s VAL 17 N -1.33 4.97 0.00 3.44 -7.23 -1.26 -4.96 120.40 114.03 1q48 s VAL 17 Ca 0.00 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1q48 s VAL 17 Cb 0.00 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1q48 s VAL 17 CO 0.00 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.65 1q48 n GLY 18 N -2.10 0.00 2.54 2.32 0.00 -1.26 -5.12 105.19 101.57 1q48 n GLY 18 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1q48 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q48 s SER 19 N 0.00 3.43 0.00 1.61 0.15 -1.26 -4.83 113.70 112.79 1q48 s SER 19 Ca 0.00 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.09 1q48 s SER 19 Cb 0.00 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1q48 s SER 19 CO 0.00 -0.40 0.00 -0.11 1.20 0.00 0.00 173.24 173.93 1q48 n LEU 20 N 4.89 0.00 -4.85 3.45 7.94 -1.26 -5.04 117.00 122.12 1q48 n LEU 20 Ca -0.01 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.52 1q48 n LEU 20 Cb 0.41 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.30 1q48 n LEU 20 CO 0.07 0.00 0.04 -0.62 -1.11 0.00 0.00 177.39 175.77 1q48 s ASP 21 N 0.00 6.69 0.00 1.96 -1.08 -1.26 -4.92 116.67 118.06 1q48 s ASP 21 Ca 0.00 0.82 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 1q48 s ASP 21 Cb 0.00 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 1q48 s ASP 21 CO 0.00 0.32 0.16 0.29 0.52 0.00 0.00 175.17 176.47 1q48 n LYS 22 N 1.71 0.29 -0.00 4.34 5.02 -1.26 -1.31 118.16 126.95 1q48 n LYS 22 Ca -0.14 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.16 1q48 n LYS 22 Cb 0.53 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.40 1q48 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q48 n LYS 23 N 0.24 4.16 -0.93 1.97 5.02 -1.26 -4.99 118.16 122.37 1q48 n LYS 23 Ca 0.00 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1q48 n LYS 23 Cb 0.06 -0.76 0.18 0.00 -0.02 0.00 0.00 35.03 34.49 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q48 s ASP 24 N -1.57 2.57 0.00 4.39 1.01 -0.42 -4.93 116.67 117.71 1q48 s ASP 24 Ca 0.00 1.58 0.21 0.00 0.71 0.00 0.00 52.55 55.05 1q48 s ASP 24 Cb 0.02 -2.24 0.41 0.00 1.01 0.00 0.00 42.92 42.12 1q48 s ASP 24 CO 0.09 -3.22 1.36 -0.24 0.21 0.00 0.00 175.17 173.38 1q48 n SER 25 N -4.27 3.38 -0.27 0.27 2.88 -1.26 -4.13 113.62 110.22 1q48 n SER 25 Ca 0.06 -1.96 0.05 0.00 -1.33 0.00 0.00 58.87 55.70 1q48 n SER 25 Cb 0.55 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1q48 n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1q48 n ASN 26 N 1.38 1.35 -4.19 -3.46 6.94 -1.26 -4.89 115.26 111.13 1q48 n ASN 26 Ca 0.18 -1.18 -0.34 0.00 -0.02 0.00 0.00 54.58 53.23 1q48 n ASN 26 Cb 0.57 0.42 -0.15 0.00 -2.36 0.00 0.00 39.78 38.26 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1q48 s VAL 27 N -1.39 2.66 0.02 3.53 1.01 -1.26 -1.66 120.40 123.32 1q48 s VAL 27 Ca 0.10 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 1q48 s VAL 27 Cb 0.09 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1q48 s VAL 27 CO 0.26 0.35 0.58 -0.83 0.00 0.00 0.00 175.10 175.46 1q48 s GLY 28 N 1.33 2.62 -0.27 4.51 0.00 -0.39 -4.69 107.32 110.44 1q48 s GLY 28 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 1q48 s GLY 28 CO -0.07 0.63 -0.04 -1.59 0.00 0.00 0.00 173.10 172.03 1q48 s THR 29 N -0.51 2.82 -0.71 0.90 2.01 -1.26 -2.11 115.64 116.77 1q48 s THR 29 Ca 0.30 -1.29 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 1q48 s THR 29 Cb -0.19 -2.55 0.18 0.00 0.01 0.00 0.00 72.50 69.96 1q48 s THR 29 CO 0.17 0.02 0.59 -0.83 -0.69 0.00 0.00 174.62 173.88 1q48 s GLY 30 N 1.26 2.54 -0.26 4.40 0.00 0.17 -4.11 107.32 111.32 1q48 s GLY 30 Ca -0.04 -3.22 -0.22 0.00 0.00 0.00 0.00 44.72 41.24 1q48 s GLY 30 CO -0.03 1.18 0.73 -0.29 0.00 0.00 0.00 173.10 174.69 1q48 s MET 31 N 0.18 4.10 0.31 2.90 1.75 -1.26 -1.19 119.30 126.10 1q48 s MET 31 Ca 0.16 0.70 0.03 0.00 -1.25 0.00 0.00 55.69 55.33 1q48 s MET 31 Cb -0.16 -3.66 -0.05 0.00 2.84 0.00 0.00 34.83 33.79 1q48 s MET 31 CO -0.06 -0.50 0.08 0.14 -0.65 0.00 0.00 175.02 174.03 1q48 s VAL 32 N 2.72 0.88 0.05 10.11 -7.23 -0.46 -5.00 120.40 121.47 1q48 s VAL 32 Ca 0.30 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 1q48 s VAL 32 Cb -0.15 -2.68 0.09 0.00 0.56 0.00 0.00 36.38 34.20 1q48 s VAL 32 CO 0.09 0.00 0.88 -0.83 -0.31 0.00 0.00 175.10 174.93 1q48 s GLY 33 N -3.44 -0.41 -0.63 2.32 0.00 -1.26 -1.70 107.32 102.19 1q48 s GLY 33 Ca 0.35 0.73 0.05 0.00 0.00 0.00 0.00 44.72 45.85 1q48 s GLY 33 CO 0.15 0.23 0.56 0.00 0.00 0.00 0.00 173.10 174.04 1q48 n ALA 34 N -0.32 3.49 0.00 3.20 0.00 0.15 -4.92 120.51 122.12 1q48 n ALA 34 Ca -0.09 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.00 1q48 n ALA 34 Cb 0.62 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1q48 n ALA 34 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q48 n PRO 35 N 1.65 0.00 0.03 0.00 -0.02 -1.26 -0.25 135.00 135.15 1q48 n PRO 35 Ca 0.24 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.89 1q48 n PRO 35 Cb 0.40 -1.69 -0.13 0.00 -0.02 0.00 0.00 33.50 32.06 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q48 h ALA 36 N 1.13 0.51 0.00 3.55 0.00 -1.95 -3.36 119.26 119.13 1q48 h ALA 36 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1q48 h ALA 36 Cb 0.37 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1q48 h ALA 36 CO 0.00 1.37 -1.14 0.00 0.00 0.00 0.00 179.25 179.49 1q48 n GLY 38 N 1.85 0.87 3.12 0.00 0.00 0.12 -5.07 105.19 106.07 1q48 n GLY 38 Ca -0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1q48 n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q48 s ASP 39 N -2.54 2.81 0.01 1.61 2.15 -1.21 -4.68 116.67 114.82 1q48 s ASP 39 Ca 0.00 -0.53 -0.01 0.00 0.43 0.00 0.00 52.55 52.45 1q48 s ASP 39 Cb 0.00 -1.28 -0.04 0.00 -0.30 0.00 0.00 42.92 41.30 1q48 s ASP 39 CO 0.00 0.05 0.13 -0.69 -0.17 0.00 0.00 175.17 174.49 1q48 s VAL 40 N 0.90 5.05 -0.09 1.11 1.01 -1.16 -0.67 120.40 126.55 1q48 s VAL 40 Ca -0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1q48 s VAL 40 Cb -0.15 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1q48 s VAL 40 CO -0.02 0.29 0.28 -0.32 0.00 0.00 0.00 175.10 175.33 1q48 s MET 41 N -1.98 0.39 -0.19 2.72 1.75 -0.69 -2.69 119.30 118.61 1q48 s MET 41 Ca 0.27 0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.96 1q48 s MET 41 Cb -0.12 0.19 0.06 0.00 2.84 0.00 0.00 34.83 37.79 1q48 s MET 41 CO 0.18 -0.06 0.01 -1.14 -0.65 0.00 0.00 175.02 173.36 1q48 s GLN 42 N -0.15 0.86 0.02 4.11 0.74 -0.88 -1.35 119.66 123.02 1q48 s GLN 42 Ca -0.03 -0.47 -0.05 0.00 0.05 0.00 0.00 55.36 54.86 1q48 s GLN 42 Cb -0.03 -2.08 -0.05 0.00 1.10 0.00 0.00 33.01 31.96 1q48 s GLN 42 CO 0.01 -0.59 0.26 -1.17 -0.55 0.00 0.00 175.29 173.25 1q48 s LEU 43 N 1.78 4.36 -0.13 3.68 2.96 -0.33 -2.25 118.68 128.74 1q48 s LEU 43 Ca -0.01 0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1q48 s LEU 43 Cb -0.17 -2.75 0.06 0.00 0.50 0.00 0.00 46.19 43.84 1q48 s LEU 43 CO -0.07 0.23 0.14 -1.10 -1.32 0.00 0.00 176.35 174.23 1q48 s GLN 44 N -1.95 0.07 -0.11 1.98 -0.21 -0.42 -0.65 119.66 118.36 1q48 s GLN 44 Ca 0.29 0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.92 1q48 s GLN 44 Cb -0.13 -1.00 -0.03 0.00 1.00 0.00 0.00 33.01 32.85 1q48 s GLN 44 CO 0.18 -0.51 -0.05 0.96 -2.12 0.00 0.00 175.29 173.76 1q48 s ILE 45 N 2.24 3.81 0.03 1.08 -4.36 -0.90 -0.54 121.20 122.56 1q48 s ILE 45 Ca 0.04 -0.41 0.03 0.00 -0.26 0.00 0.00 60.65 60.04 1q48 s ILE 45 Cb -0.14 -2.61 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1q48 s ILE 45 CO -0.08 0.55 0.00 -0.54 0.24 0.00 0.00 174.94 175.11 1q48 s LYS 46 N -0.22 2.70 0.05 0.37 1.02 -0.98 -1.26 119.74 121.43 1q48 s LYS 46 Ca 0.03 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.39 1q48 s LYS 46 Cb -0.13 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1q48 s LYS 46 CO 0.02 0.59 -0.17 0.08 -0.92 0.00 0.00 175.35 174.96 1q48 s VAL 47 N -1.17 1.37 0.00 3.17 1.01 -0.66 -3.33 120.40 120.78 1q48 s VAL 47 Ca 0.22 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1q48 s VAL 47 Cb -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1q48 s VAL 47 CO 0.13 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.75 1q48 n ASP 48 N 1.73 0.00 -2.15 3.32 8.00 -1.01 -4.82 116.55 121.62 1q48 n ASP 48 Ca -0.18 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.31 1q48 n ASP 48 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1q48 n ASP 48 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1q48 n ASP 49 N -0.34 0.74 -1.43 -2.24 9.92 -1.18 -4.15 116.55 117.87 1q48 n ASP 49 Ca 0.00 -1.39 -0.03 0.00 -0.53 0.00 0.00 54.79 52.85 1q48 n ASP 49 Cb 0.00 -0.17 0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1q48 n ASN 50 N 2.36 -2.13 0.00 -2.24 3.02 -1.26 -3.44 115.26 111.58 1q48 n ASN 50 Ca 0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1q48 n ASN 50 Cb 0.09 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q48 n GLY 51 N -1.09 1.14 3.88 7.41 0.00 -1.26 -5.01 105.19 110.25 1q48 n GLY 51 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1q48 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q48 s ILE 52 N -3.80 5.15 -1.13 -0.61 -1.09 -1.22 -4.18 121.20 114.32 1q48 s ILE 52 Ca 0.00 0.26 -0.22 0.00 -2.23 0.00 0.00 60.65 58.46 1q48 s ILE 52 Cb 0.00 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1q48 s ILE 52 CO 0.00 0.21 1.77 -0.63 -1.23 0.00 0.00 174.94 175.06 1q48 s ILE 53 N -1.48 3.78 0.20 2.92 1.01 -0.60 -2.42 121.20 124.62 1q48 s ILE 53 Ca 0.35 -1.07 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1q48 s ILE 53 Cb -0.13 -4.75 0.15 0.00 0.01 0.00 0.00 42.46 37.73 1q48 s ILE 53 CO 0.20 -1.50 1.71 1.05 0.00 0.00 0.00 174.94 176.40 1q48 h GLU 54 N 9.41 0.26 -4.59 2.79 4.11 -1.84 0.13 114.58 124.85 1q48 h GLU 54 Ca 0.26 -0.02 -0.37 0.00 0.07 0.00 0.00 59.36 59.30 1q48 h GLU 54 Cb 0.95 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.02 1q48 h GLU 54 CO 1.34 0.17 -0.41 -0.51 0.07 0.00 0.00 179.01 179.67 1q48 s ASP 55 N -5.31 1.20 -0.28 3.06 1.01 -1.26 -3.87 116.67 111.23 1q48 s ASP 55 Ca -0.13 -1.61 -0.12 0.00 0.71 0.00 0.00 52.55 51.41 1q48 s ASP 55 Cb 0.17 0.57 0.11 0.00 1.01 0.00 0.00 42.92 44.78 1q48 s ASP 55 CO 0.74 -1.11 0.64 0.00 0.21 0.00 0.00 175.17 175.64 1q48 s ALA 56 N -3.43 -1.89 0.14 5.23 0.00 -1.26 -2.31 121.76 118.24 1q48 s ALA 56 Ca 0.37 2.28 0.04 0.00 0.00 0.00 0.00 51.96 54.64 1q48 s ALA 56 Cb 0.02 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1q48 s ALA 56 CO 0.23 -0.72 0.18 0.15 0.00 0.00 0.00 175.76 175.61 1q48 s LYS 57 N 2.42 3.11 0.29 0.00 -0.14 0.30 -4.98 119.74 120.73 1q48 s LYS 57 Ca -0.07 -0.74 0.02 0.00 -1.36 0.00 0.00 55.97 53.82 1q48 s LYS 57 Cb -0.10 -2.78 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1q48 s LYS 57 CO -0.19 0.51 0.28 -0.59 -0.76 0.00 0.00 175.35 174.61 1q48 s PHE 58 N -1.70 1.38 -0.30 3.18 -0.71 -1.26 -1.31 117.98 117.26 1q48 s PHE 58 Ca 0.32 -1.46 -0.07 0.00 -1.04 0.00 0.00 56.93 54.68 1q48 s PHE 58 Cb -0.11 -0.50 0.19 0.00 -1.21 0.00 0.00 43.02 41.39 1q48 s PHE 58 CO 0.25 -0.86 0.94 0.21 -1.34 0.00 0.00 175.22 174.42 1q48 s LYS 59 N -3.62 0.25 -0.15 1.99 2.20 -0.96 -4.97 119.74 114.48 1q48 s LYS 59 Ca 0.37 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 56.17 1q48 s LYS 59 Cb 0.03 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1q48 s LYS 59 CO 0.21 -0.46 -0.05 0.95 -0.36 0.00 0.00 175.35 175.64 1q48 s THR 60 N 2.87 3.74 -0.08 3.43 -4.23 -1.26 -2.07 115.64 118.04 1q48 s THR 60 Ca 0.23 -0.41 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1q48 s THR 60 Cb -0.03 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.22 1q48 s THR 60 CO -0.23 0.50 0.18 -0.72 -0.54 0.00 0.00 174.62 173.81 1q48 s TYR 61 N 0.31 -0.22 0.00 3.99 1.13 -1.10 -4.95 117.35 116.52 1q48 s TYR 61 Ca -0.05 0.59 0.00 0.00 -1.41 0.00 0.00 57.07 56.20 1q48 s TYR 61 Cb -0.14 -0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 1q48 s TYR 61 CO 0.03 -0.20 0.00 0.41 -2.51 0.00 0.00 175.55 173.29 1q48 n GLY 62 N 4.29 1.93 3.38 5.49 0.00 -1.26 -2.98 105.19 116.04 1q48 n GLY 62 Ca -0.25 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1q48 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n GLY 64 N 0.81 5.88 0.00 0.00 0.00 -1.26 -4.36 105.19 106.26 1q48 n GLY 64 Ca -0.17 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.23 1q48 n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q48 n SER 65 N -0.26 0.00 -0.00 1.61 2.88 -1.26 -4.83 113.62 111.76 1q48 n SER 65 Ca 0.45 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.07 1q48 n SER 65 Cb 0.32 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.67 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q48 n ALA 66 N 0.00 3.97 -0.36 -1.46 0.00 -1.26 -4.54 120.51 116.86 1q48 n ALA 66 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1q48 n ALA 66 Cb 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 18.83 1q48 n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1q48 h ILE 67 N 0.00 0.02 -0.00 0.00 5.03 -1.88 -0.57 117.51 120.12 1q48 h ILE 67 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.75 1q48 h ILE 67 Cb 0.50 0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 34.29 1q48 h ILE 67 CO 0.00 0.00 -0.22 0.00 -0.68 0.00 0.00 178.15 177.25 1q48 h ALA 68 N 1.21 -0.68 -0.95 1.87 0.00 -1.97 -0.86 119.26 117.89 1q48 h ALA 68 Ca 0.31 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.32 1q48 h ALA 68 Cb 0.57 0.69 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1q48 h ALA 68 CO -0.94 -0.75 -0.40 0.43 0.00 0.00 0.00 179.25 177.60 1q48 n SER 69 N -3.70 -0.67 -0.23 0.00 7.64 -0.34 0.13 113.62 116.46 1q48 n SER 69 Ca -0.03 1.66 0.03 0.00 1.01 0.00 0.00 58.87 61.54 1q48 n SER 69 Cb 0.16 -0.36 0.15 0.00 -1.01 0.00 0.00 64.21 63.15 1q48 n SER 69 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1q48 h SER 70 N 0.00 0.02 -0.58 6.43 4.64 -0.44 0.37 113.55 123.98 1q48 h SER 70 Ca 0.31 0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.80 1q48 h SER 70 Cb 0.54 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 1q48 h SER 70 CO -0.93 -0.01 0.39 0.28 -0.87 0.00 0.00 176.83 175.69 1q48 h SER 71 N 0.27 0.55 0.00 4.97 0.02 0.25 -0.28 113.55 119.33 1q48 h SER 71 Ca 0.37 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1q48 h SER 71 Cb 0.58 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1q48 h SER 71 CO -0.46 0.37 0.00 -0.11 -1.14 0.00 0.00 176.83 175.49 1q48 n LEU 72 N -4.47 0.78 -0.34 5.07 7.94 0.12 -1.77 117.00 124.33 1q48 n LEU 72 Ca 0.07 0.48 0.16 0.00 -1.11 0.00 0.00 56.01 55.62 1q48 n LEU 72 Cb 0.18 -0.19 0.32 0.00 0.53 0.00 0.00 43.42 44.26 1q48 n LEU 72 CO 0.35 -0.19 0.83 -0.29 -1.11 0.00 0.00 177.39 176.98 1q48 h ILE 73 N 0.00 0.03 -0.73 1.96 2.10 -1.39 2.41 117.51 121.90 1q48 h ILE 73 Ca 0.00 -0.01 0.11 0.00 1.08 0.00 0.00 64.86 66.04 1q48 h ILE 73 Cb 0.00 0.02 -0.05 0.00 -1.09 0.00 0.00 36.82 35.70 1q48 h ILE 73 CO 0.00 0.00 0.48 0.71 -1.08 0.00 0.00 178.15 178.26 1q48 h THR 74 N 0.02 0.90 -0.23 2.19 1.35 -1.09 0.42 112.91 116.47 1q48 h THR 74 Ca 0.62 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1q48 h THR 74 Cb 1.32 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1q48 h THR 74 CO -0.89 0.10 0.00 -0.62 -0.25 0.00 0.00 175.52 173.86 1q48 n GLU 75 N -4.49 2.03 -0.08 4.72 1.02 0.78 -3.91 120.64 120.71 1q48 n GLU 75 Ca 0.13 -1.55 -0.09 0.00 -0.02 0.00 0.00 57.16 55.62 1q48 n GLU 75 Cb 0.38 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 30.26 1q48 n GLU 75 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1q48 n TRP 76 N 0.78 0.00 -1.38 -0.32 -0.00 0.12 -4.51 117.44 112.13 1q48 n TRP 76 Ca 0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.42 1q48 n TRP 76 Cb 0.44 -0.69 0.13 0.00 -0.00 0.00 0.00 31.31 31.19 1q48 n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1q48 n VAL 77 N -2.75 3.22 -3.89 5.87 0.24 0.37 -4.76 118.33 116.63 1q48 n VAL 77 Ca -0.27 -2.68 -0.35 0.00 -2.04 0.00 0.00 64.34 59.00 1q48 n VAL 77 Cb 0.90 -0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 32.34 1q48 n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q48 s LYS 78 N -3.54 3.33 0.00 7.34 2.20 -1.25 -4.42 119.74 123.40 1q48 s LYS 78 Ca 0.58 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1q48 s LYS 78 Cb 0.47 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 1q48 s LYS 78 CO 0.04 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1q48 n GLY 79 N 4.80 1.40 0.00 5.54 0.00 0.46 -5.01 105.19 112.38 1q48 n GLY 79 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1q48 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q48 n LYS 80 N -2.00 0.54 -4.31 1.61 4.76 -1.25 -4.73 118.16 112.78 1q48 n LYS 80 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1q48 n LYS 80 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1q48 n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1q48 s SER 81 N -1.00 4.01 0.66 4.39 0.01 -1.26 -1.55 113.70 118.96 1q48 s SER 81 Ca 0.00 -0.50 0.39 0.00 1.31 0.00 0.00 55.95 57.15 1q48 s SER 81 Cb 0.00 -0.63 2.17 0.00 0.21 0.00 0.00 66.02 67.77 1q48 s SER 81 CO 0.00 0.18 2.25 -0.07 0.41 0.00 0.00 173.24 176.02 1q48 h LEU 82 N 3.76 0.00 -1.61 2.44 3.38 -1.95 0.80 115.31 122.13 1q48 h LEU 82 Ca -0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1q48 h LEU 82 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1q48 h LEU 82 CO 0.48 0.00 -0.21 -0.08 0.09 0.00 0.00 178.44 178.72 1q48 h GLU 83 N 0.00 0.00 0.09 1.13 4.57 -1.94 -0.57 114.58 117.86 1q48 h GLU 83 Ca 0.01 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.83 1q48 h GLU 83 Cb 0.18 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1q48 h GLU 83 CO -0.00 0.21 -2.02 0.39 -1.18 0.00 0.00 179.01 176.40 1q48 n GLU 84 N -3.85 0.72 0.22 1.92 1.02 0.25 -4.05 120.64 116.86 1q48 n GLU 84 Ca -0.02 0.25 0.08 0.00 -0.02 0.00 0.00 57.16 57.44 1q48 n GLU 84 Cb 0.30 -1.69 0.48 0.00 -0.02 0.00 0.00 31.44 30.51 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q48 h ALA 85 N 0.24 1.17 -0.47 0.62 0.00 -1.35 -2.78 119.26 116.70 1q48 h ALA 85 Ca -0.43 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 53.92 1q48 h ALA 85 Cb 2.02 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 19.63 1q48 h ALA 85 CO 0.06 0.34 0.40 0.41 0.00 0.00 0.00 179.25 180.47 1q48 n GLY 86 N -0.21 3.98 0.00 0.00 0.00 -0.24 -3.89 105.19 104.83 1q48 n GLY 86 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1q48 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n ALA 87 N 0.28 0.44 -0.99 4.61 0.00 -1.07 -5.01 120.51 118.78 1q48 n ALA 87 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 1q48 n ALA 87 Cb 0.64 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.12 1q48 n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q48 n ILE 88 N -0.93 0.00 -4.08 0.00 -5.35 -1.10 -5.00 119.36 102.91 1q48 n ILE 88 Ca 0.00 -0.03 -0.08 0.00 -0.27 0.00 0.00 62.75 62.37 1q48 n ILE 88 Cb 0.00 -0.03 -0.10 0.00 -1.74 0.00 0.00 39.64 37.78 1q48 n ILE 88 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1q48 s LYS 89 N -2.06 0.73 0.14 6.28 1.02 -1.26 -5.04 119.74 119.55 1q48 s LYS 89 Ca 0.37 -1.25 0.09 0.00 0.02 0.00 0.00 55.97 55.20 1q48 s LYS 89 Cb 0.09 0.24 -0.15 0.00 -0.52 0.00 0.00 37.83 37.49 1q48 s LYS 89 CO 0.67 -0.18 1.26 -2.95 -0.92 0.00 0.00 175.35 173.23 1q48 h ASN 90 N 3.02 0.00 0.52 2.83 -1.07 -1.94 -3.05 115.58 115.88 1q48 h ASN 90 Ca -0.34 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.00 1q48 h ASN 90 Cb 1.16 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.42 1q48 h ASN 90 CO 0.63 0.88 -0.25 -1.28 0.07 0.00 0.00 177.43 177.48 1q48 h SER 91 N 0.00 -0.59 0.17 6.14 0.87 -1.96 0.07 113.55 118.25 1q48 h SER 91 Ca -0.03 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1q48 h SER 91 Cb 1.70 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.78 1q48 h SER 91 CO 0.11 -0.22 -0.28 -0.61 -0.53 0.00 0.00 176.83 175.30 1q48 h GLN 92 N -1.02 -0.51 -0.58 2.24 4.15 -2.00 -0.64 115.11 116.76 1q48 h GLN 92 Ca -0.07 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.50 1q48 h GLN 92 Cb 0.61 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 1q48 h GLN 92 CO 0.12 -0.34 0.40 0.82 -1.93 0.00 0.00 178.83 177.90 1q48 h ILE 93 N -0.53 0.83 -0.48 2.39 2.04 -1.59 -0.62 117.51 119.56 1q48 h ILE 93 Ca 0.02 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1q48 h ILE 93 Cb 0.53 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1q48 h ILE 93 CO -0.13 0.05 -0.03 0.00 0.00 0.00 0.00 178.15 178.05 1q48 h ALA 94 N 1.71 0.65 0.00 1.87 0.00 0.50 -2.39 119.26 121.60 1q48 h ALA 94 Ca 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1q48 h ALA 94 Cb 0.71 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1q48 h ALA 94 CO -0.06 0.48 -0.13 1.49 0.00 0.00 0.00 179.25 181.03 1q48 h GLU 95 N 0.72 0.00 -0.06 0.00 4.57 -0.07 0.77 114.58 120.52 1q48 h GLU 95 Ca 0.13 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.08 1q48 h GLU 95 Cb 0.55 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1q48 h GLU 95 CO 0.03 0.13 -0.88 1.49 -1.18 0.00 0.00 179.01 178.60 1q48 h GLU 96 N 0.00 0.61 0.00 1.92 4.81 -0.87 -3.27 114.58 117.78 1q48 h GLU 96 Ca -0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1q48 h GLU 96 Cb 0.60 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1q48 h GLU 96 CO 0.02 1.19 -1.40 -0.11 -0.73 0.00 0.00 179.01 177.98 1q48 n LEU 97 N -3.85 0.51 -3.55 1.64 0.00 -0.97 -5.01 117.00 105.77 1q48 n LEU 97 Ca -0.08 -0.16 -0.18 0.00 0.00 0.00 0.00 56.01 55.59 1q48 n LEU 97 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 44.20 1q48 n LEU 97 CO 0.52 0.09 -0.03 -0.62 0.00 0.00 0.00 177.39 177.35 1q48 n GLU 98 N -1.94 -1.40 -3.77 1.96 1.02 0.27 -4.94 120.64 111.83 1q48 n GLU 98 Ca 0.00 0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 57.78 1q48 n GLU 98 Cb 0.46 -3.61 -0.05 0.00 -0.02 0.00 0.00 31.44 28.22 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1q48 s LEU 99 N -4.86 4.31 -0.88 -4.62 2.34 -1.25 -4.96 118.68 108.77 1q48 s LEU 99 Ca 0.06 0.48 -0.33 0.00 0.06 0.00 0.00 54.13 54.40 1q48 s LEU 99 Cb -0.02 -3.12 -0.20 0.00 -0.56 0.00 0.00 46.19 42.28 1q48 s LEU 99 CO 0.85 0.12 2.58 -2.65 -1.06 0.00 0.00 176.35 176.19 1q48 n PRO 100 N 0.28 0.08 0.00 1.48 -0.02 -1.26 -4.71 135.00 130.85 1q48 n PRO 100 Ca -0.04 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1q48 n PRO 100 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1q48 n PRO 100 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1q48 n PRO 101 N 8.36 0.00 0.00 0.52 -0.02 -1.26 -0.33 135.00 142.28 1q48 n PRO 101 Ca 0.62 0.22 0.13 0.00 -2.02 0.00 0.00 63.50 62.45 1q48 n PRO 101 Cb 0.05 -1.71 0.63 0.00 -0.02 0.00 0.00 33.50 32.45 1q48 n PRO 101 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1q48 n VAL 102 N -1.19 0.17 -2.69 -1.45 0.24 -1.26 -3.75 118.33 108.40 1q48 n VAL 102 Ca 0.00 0.04 -0.07 0.00 -2.04 0.00 0.00 64.34 62.27 1q48 n VAL 102 Cb 0.21 -0.60 0.07 0.00 -1.47 0.00 0.00 33.84 32.04 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1q48 n LYS 103 N -1.36 1.24 0.00 7.34 4.81 0.56 -4.91 118.16 125.84 1q48 n LYS 103 Ca 0.10 -2.69 0.05 0.00 -0.87 0.00 0.00 58.31 54.90 1q48 n LYS 103 Cb 0.24 -0.79 0.27 0.00 0.02 0.00 0.00 35.03 34.77 1q48 n LYS 103 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1q48 n VAL 104 N -0.39 0.27 0.13 3.15 3.14 -1.25 -2.81 118.33 120.58 1q48 n VAL 104 Ca 0.03 0.07 0.07 0.00 -2.96 0.00 0.00 64.34 61.55 1q48 n VAL 104 Cb 0.83 -0.91 0.39 0.00 -1.06 0.00 0.00 33.84 33.09 1q48 n VAL 104 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1q48 n HIS 105 N -1.10 0.49 -0.06 1.45 -0.00 -1.26 -1.87 115.22 112.87 1q48 n HIS 105 Ca 0.06 0.25 -0.07 0.00 -0.00 0.00 0.00 57.72 57.97 1q48 n HIS 105 Cb 0.05 -0.83 -0.06 0.00 -0.00 0.00 0.00 29.99 29.14 1q48 n HIS 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1q48 h SER 107 N -1.00 -0.09 -0.33 0.00 0.87 -1.64 0.68 113.55 112.03 1q48 h SER 107 Ca -0.00 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1q48 h SER 107 Cb 0.48 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1q48 h SER 107 CO -0.00 -0.05 0.20 0.40 -0.53 0.00 0.00 176.83 176.85 1q48 h ILE 108 N 0.21 1.04 -0.65 2.23 2.04 -1.63 -0.39 117.51 120.37 1q48 h ILE 108 Ca 0.34 -0.14 0.17 0.00 1.00 0.00 0.00 64.86 66.24 1q48 h ILE 108 Cb 0.54 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1q48 h ILE 108 CO -0.47 0.07 0.46 -0.07 0.00 0.00 0.00 178.15 178.14 1q48 h LEU 109 N 0.40 0.08 0.27 1.44 4.07 -0.49 0.13 115.31 121.22 1q48 h LEU 109 Ca 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1q48 h LEU 109 Cb -0.00 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1q48 h LEU 109 CO -0.06 0.04 -0.13 0.00 -1.08 0.00 0.00 178.44 177.21 1q48 h ALA 110 N 1.68 -0.41 -0.22 1.53 0.00 0.10 -1.21 119.26 120.72 1q48 h ALA 110 Ca 0.31 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1q48 h ALA 110 Cb 1.12 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1q48 h ALA 110 CO -0.03 -0.39 -0.28 1.49 0.00 0.00 0.00 179.25 180.04 1q48 h GLU 111 N -0.95 -0.30 -0.87 0.00 4.81 -0.86 0.15 114.58 116.57 1q48 h GLU 111 Ca -0.04 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1q48 h GLU 111 Cb 0.28 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 1q48 h GLU 111 CO 0.06 -0.20 0.51 0.22 -0.73 0.00 0.00 179.01 178.87 1q48 h ASP 112 N -0.31 0.73 -0.54 1.04 3.58 -0.87 -1.50 116.42 118.55 1q48 h ASP 112 Ca 0.13 0.05 0.11 0.00 0.42 0.00 0.00 57.03 57.74 1q48 h ASP 112 Cb 0.50 -0.09 -0.10 0.00 1.72 0.00 0.00 39.33 41.36 1q48 h ASP 112 CO -0.39 0.40 -0.14 0.00 -2.88 0.00 0.00 179.24 176.22 1q48 h ALA 113 N 1.48 0.35 -0.99 -0.78 0.00 0.31 0.25 119.26 119.88 1q48 h ALA 113 Ca 0.43 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.56 1q48 h ALA 113 Cb 0.42 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1q48 h ALA 113 CO -0.26 -0.44 0.65 0.97 0.00 0.00 0.00 179.25 180.17 1q48 h ILE 114 N -0.01 1.23 -0.27 0.00 6.09 -0.85 -0.92 117.51 122.78 1q48 h ILE 114 Ca 0.26 -0.45 -0.03 0.00 -1.37 0.00 0.00 64.86 63.27 1q48 h ILE 114 Cb 0.40 -0.20 -0.01 0.00 0.47 0.00 0.00 36.82 37.48 1q48 h ILE 114 CO -0.56 0.24 0.07 0.50 -3.07 0.00 0.00 178.15 175.33 1q48 h LYS 115 N 1.32 0.43 0.80 2.19 3.64 -0.33 -1.70 116.57 122.91 1q48 h LYS 115 Ca 0.37 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1q48 h LYS 115 Cb -0.12 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1q48 h LYS 115 CO -0.09 0.51 -0.38 0.00 -2.27 0.00 0.00 179.45 177.22 1q48 h ALA 116 N 0.90 -1.25 -1.11 5.00 0.00 -0.19 -1.88 119.26 120.73 1q48 h ALA 116 Ca 0.09 -0.23 0.30 0.00 0.00 0.00 0.00 54.91 55.07 1q48 h ALA 116 Cb 0.27 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1q48 h ALA 116 CO 0.00 -1.18 0.72 0.00 0.00 0.00 0.00 179.25 178.80 1q48 h ALA 117 N -1.48 2.42 -0.55 0.00 0.00 -1.22 0.59 119.26 119.02 1q48 h ALA 117 Ca -0.11 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1q48 h ALA 117 Cb 0.82 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1q48 h ALA 117 CO 0.18 -0.86 -0.01 0.82 0.00 0.00 0.00 179.25 179.38 1q48 h ILE 118 N 0.29 1.26 -0.21 0.00 2.04 -0.86 -1.12 117.51 118.91 1q48 h ILE 118 Ca 0.63 -1.10 -0.15 0.00 1.00 0.00 0.00 64.86 65.24 1q48 h ILE 118 Cb 1.78 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1q48 h ILE 118 CO -0.29 0.39 -0.45 0.00 0.00 0.00 0.00 178.15 177.81 1q48 h ALA 119 N 1.12 0.34 -0.66 1.87 0.00 0.93 -2.13 119.26 120.72 1q48 h ALA 119 Ca 0.16 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1q48 h ALA 119 Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1q48 h ALA 119 CO 0.03 0.47 0.09 -0.44 0.00 0.00 0.00 179.25 179.40 1q48 h ASP 120 N 0.37 1.07 -0.29 0.00 5.19 -1.08 0.15 116.42 121.83 1q48 h ASP 120 Ca 0.00 -0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.02 1q48 h ASP 120 Cb 1.06 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1q48 h ASP 120 CO 0.10 1.06 -0.30 0.22 -3.12 0.00 0.00 179.24 177.20 1q48 h TYR 121 N 1.03 0.93 0.00 4.55 3.20 -1.20 -2.81 116.97 122.67 1q48 h TYR 121 Ca 0.20 -0.24 -0.14 0.00 3.14 0.00 0.00 58.73 61.69 1q48 h TYR 121 Cb 0.46 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1q48 h TYR 121 CO 0.03 1.00 -0.67 -0.22 -1.64 0.00 0.00 178.16 176.66 1q48 h LYS 122 N 0.68 0.00 -0.36 1.82 3.64 -1.17 -3.27 116.57 117.90 1q48 h LYS 122 Ca 0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1q48 h LYS 122 Cb 0.84 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1q48 h LYS 122 CO 0.07 0.67 0.01 0.00 -2.27 0.00 0.00 179.45 177.93 1q48 h ALA 123 N 1.33 0.49 0.00 5.00 0.00 -0.54 -2.32 119.26 123.23 1q48 h ALA 123 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1q48 h ALA 123 Cb 1.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1q48 h ALA 123 CO 0.09 0.25 0.00 1.17 0.00 0.00 0.00 179.25 180.75 1q48 n LYS 124 N -4.50 0.88 -2.68 0.00 3.00 -1.08 -3.69 118.16 110.09 1q48 n LYS 124 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.24 1q48 n LYS 124 Cb 0.27 -1.25 0.07 0.00 0.00 0.00 0.00 35.03 34.12 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1q48 n GLN 125 N 0.31 0.54 0.00 1.64 7.27 -0.89 -4.75 117.38 121.50 1q48 n GLN 125 Ca 0.00 -1.16 0.00 0.00 0.07 0.00 0.00 57.00 55.91 1q48 n GLN 125 Cb 0.33 -0.23 0.00 0.00 2.41 0.00 0.00 30.24 32.75 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q48 n GLY 126 N -0.11 -1.00 0.92 1.69 0.00 -1.10 -4.81 105.19 100.78 1q48 n GLY 126 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1q48 n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q48 n LEU 127 N 0.00 3.42 0.00 0.99 4.77 -1.26 -4.97 117.00 119.95 1q48 n LEU 127 Ca 0.00 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1q48 n LEU 127 Cb 0.40 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1q48 n LEU 127 CO 0.00 0.80 0.00 -0.62 -1.33 0.00 0.00 177.39 176.24 1q48 n GLU 128 N 0.75 1.83 -2.78 3.23 -0.58 -1.26 -5.01 120.64 116.82 1q48 n GLU 128 Ca 0.17 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.65 1q48 n GLU 128 Cb 0.55 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.40 1q48 n GLU 128 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1q48 n HIS 129 N 0.00 3.61 -0.38 -0.32 -0.00 -1.26 -4.83 115.22 112.04 1q48 n HIS 129 Ca 0.00 -3.65 -0.15 0.00 0.46 0.00 0.00 57.72 54.38 1q48 n HIS 129 Cb 0.00 -0.34 0.10 0.00 -0.12 0.00 0.00 29.99 29.63 1q48 n HIS 129 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1q48 n HIS 130 N -0.30 1.84 0.00 1.57 1.44 -1.26 -4.88 115.22 113.63 1q48 n HIS 130 Ca 0.33 -1.38 0.00 0.00 -2.01 0.00 0.00 57.72 54.66 1q48 n HIS 130 Cb 0.51 -0.70 0.00 0.00 0.12 0.00 0.00 29.99 29.92 1q48 n HIS 130 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1q48 n HIS 131 N -0.43 0.00 -1.22 -1.40 8.25 -1.26 -5.10 115.22 114.05 1q48 n HIS 131 Ca 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1q48 n HIS 131 Cb 1.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.26 1q48 n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q48 n HIS 132 N 0.00 0.00 0.11 4.41 -0.00 -1.26 -5.11 115.22 113.37 1q48 n HIS 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1q48 n HIS 132 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1q48 n HIS 132 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1q48 n HIS 133 N 0.00 -3.33 -0.21 4.41 -0.00 -1.26 -5.26 115.22 109.56 1q48 n HIS 133 Ca 0.00 0.74 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1q48 n HIS 133 Cb 0.00 2.07 0.00 0.00 -0.12 0.00 0.00 29.99 31.94 1q48 n HIS 133 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41