#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q56 n SER 2 N 0.00 -0.35 -4.33 1.61 3.41 -1.26 -4.89 113.62 107.80 1q56 n SER 2 Ca 0.00 -0.04 -0.46 0.00 -0.26 0.00 0.00 58.87 58.10 1q56 n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1q56 n SER 2 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1q56 s GLU 3 N -0.67 3.87 -0.11 4.33 2.12 -1.26 -4.99 118.70 121.99 1q56 s GLU 3 Ca 0.00 -2.79 -0.10 0.00 0.36 0.00 0.00 54.97 52.43 1q56 s GLU 3 Cb 0.00 -4.49 0.03 0.00 0.26 0.00 0.00 34.13 29.93 1q56 s GLU 3 CO 0.00 -1.27 0.29 -1.59 -0.54 0.00 0.00 175.26 172.15 1q56 s LYS 4 N -0.45 0.35 -0.58 4.30 -2.85 -1.26 -5.11 119.74 114.13 1q56 s LYS 4 Ca 0.24 0.40 -0.07 0.00 -1.00 0.00 0.00 55.97 55.53 1q56 s LYS 4 Cb -0.10 0.17 0.15 0.00 -2.06 0.00 0.00 37.83 35.99 1q56 s LYS 4 CO -0.09 -0.04 0.44 0.14 0.10 0.00 0.00 175.35 175.90 1q56 s VAL 5 N 0.13 4.19 0.40 1.79 -7.23 -1.26 -5.07 120.40 113.35 1q56 s VAL 5 Ca -0.00 -2.35 -0.25 0.00 -1.81 0.00 0.00 61.98 57.56 1q56 s VAL 5 Cb -0.02 -3.72 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 1q56 s VAL 5 CO 0.00 -0.85 1.17 0.27 -0.31 0.00 0.00 175.10 175.38 1q56 s ILE 6 N 0.62 3.16 -0.50 -0.62 -4.36 -1.26 -5.01 121.20 113.24 1q56 s ILE 6 Ca 0.12 0.98 0.03 0.00 -0.26 0.00 0.00 60.65 61.52 1q56 s ILE 6 Cb -0.21 -3.55 0.14 0.00 1.25 0.00 0.00 42.46 40.09 1q56 s ILE 6 CO -0.03 0.09 0.29 -0.51 0.24 0.00 0.00 174.94 175.02 1q56 s ILE 7 N -1.41 1.96 0.04 8.37 2.07 -1.26 -5.09 121.20 125.88 1q56 s ILE 7 Ca 0.57 -3.07 -0.38 0.00 -1.41 0.00 0.00 60.65 56.35 1q56 s ILE 7 Cb -0.31 -2.35 -0.19 0.00 0.13 0.00 0.00 42.46 39.75 1q56 s ILE 7 CO 0.39 -0.90 1.18 1.21 -1.91 0.00 0.00 174.94 174.91 1q56 n GLU 8 N 3.12 0.51 -4.29 3.50 4.07 -1.26 -4.95 120.64 121.34 1q56 n GLU 8 Ca 0.10 0.18 -0.21 0.00 -0.06 0.00 0.00 57.16 57.17 1q56 n GLU 8 Cb 0.34 -1.74 -0.12 0.00 -0.06 0.00 0.00 31.44 29.87 1q56 n GLU 8 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1q56 s LYS 9 N 0.19 1.14 0.03 5.31 -2.85 -1.26 -5.15 119.74 117.15 1q56 s LYS 9 Ca 0.88 -1.26 0.09 0.00 -1.00 0.00 0.00 55.97 54.68 1q56 s LYS 9 Cb -1.13 -1.23 -0.03 0.00 -2.06 0.00 0.00 37.83 33.39 1q56 s LYS 9 CO 0.53 0.26 -0.26 0.00 0.10 0.00 0.00 175.35 175.98 1q56 s ALA 10 N -1.71 2.21 -1.18 0.59 0.00 -1.26 -5.06 121.76 115.35 1q56 s ALA 10 Ca 0.10 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 1q56 s ALA 10 Cb -0.07 -0.49 0.15 0.00 0.00 0.00 0.00 23.12 22.71 1q56 s ALA 10 CO 0.05 0.53 1.44 0.00 0.00 0.00 0.00 175.76 177.77 1q56 s ALA 11 N -0.75 3.79 -0.37 0.00 0.00 -1.26 -4.97 121.76 118.19 1q56 s ALA 11 Ca 0.11 -3.19 -0.41 0.00 0.00 0.00 0.00 51.96 48.47 1q56 s ALA 11 Cb -0.10 -4.20 -0.16 0.00 0.00 0.00 0.00 23.12 18.66 1q56 s ALA 11 CO 0.01 -2.90 1.90 0.41 0.00 0.00 0.00 175.76 175.18 1q56 n GLY 12 N 4.55 0.48 2.23 0.00 0.00 -1.26 -4.86 105.19 106.33 1q56 n GLY 12 Ca 0.37 0.98 -0.25 0.00 0.00 0.00 0.00 46.02 47.12 1q56 n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q56 n ASP 13 N 6.57 0.50 -3.27 1.61 5.68 -1.26 -4.99 116.55 121.38 1q56 n ASP 13 Ca 0.36 -2.74 -0.25 0.00 -0.50 0.00 0.00 54.79 51.66 1q56 n ASP 13 Cb 0.09 -0.64 -0.08 0.00 -1.14 0.00 0.00 41.12 39.35 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q56 n ALA 14 N 1.47 2.67 -3.83 2.12 0.00 -1.26 -5.06 120.51 116.61 1q56 n ALA 14 Ca 0.23 -3.46 -0.29 0.00 0.00 0.00 0.00 53.44 49.92 1q56 n ALA 14 Cb 0.51 -0.81 -0.16 0.00 0.00 0.00 0.00 19.45 18.99 1q56 n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1q56 s GLU 15 N -1.00 1.09 0.14 0.00 -1.05 -1.26 -5.12 118.70 111.50 1q56 s GLU 15 Ca 0.35 -0.68 0.10 0.00 -0.15 0.00 0.00 54.97 54.58 1q56 s GLU 15 Cb 0.13 -2.33 -0.04 0.00 -0.44 0.00 0.00 34.13 31.45 1q56 s GLU 15 CO -0.13 -0.62 -0.19 0.00 0.95 0.00 0.00 175.26 175.27 1q56 s ALA 16 N 1.65 2.65 -0.08 -0.84 0.00 -1.26 -4.69 121.76 119.18 1q56 s ALA 16 Ca -0.03 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.54 1q56 s ALA 16 Cb -0.18 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1q56 s ALA 16 CO -0.07 0.54 -0.24 0.42 0.00 0.00 0.00 175.76 176.41 1q56 s ILE 17 N -1.29 2.14 -0.20 0.00 -1.09 -1.18 -3.22 121.20 116.36 1q56 s ILE 17 Ca 0.19 -1.02 -0.19 0.00 -2.23 0.00 0.00 60.65 57.40 1q56 s ILE 17 Cb -0.10 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.96 1q56 s ILE 17 CO 0.10 0.56 0.53 0.00 -1.23 0.00 0.00 174.94 174.90 1q56 s ALA 18 N 0.03 3.54 -0.07 9.38 0.00 0.56 -2.55 121.76 132.65 1q56 s ALA 18 Ca -0.09 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 1q56 s ALA 18 Cb -0.15 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 1q56 s ALA 18 CO 0.06 -0.45 0.50 -0.06 0.00 0.00 0.00 175.76 175.81 1q56 s PHE 19 N 1.65 3.59 -2.70 0.00 0.40 0.50 -4.27 117.98 117.16 1q56 s PHE 19 Ca 0.24 1.00 0.24 0.00 -0.60 0.00 0.00 56.93 57.81 1q56 s PHE 19 Cb -0.15 -2.54 0.43 0.00 0.51 0.00 0.00 43.02 41.27 1q56 s PHE 19 CO 0.10 0.28 1.40 -0.40 0.70 0.00 0.00 175.22 177.29 1q56 n ASP 20 N 3.17 2.85 0.00 1.36 5.68 -1.25 -2.83 116.55 125.53 1q56 n ASP 20 Ca -0.08 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1q56 n ASP 20 Cb 0.52 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q56 n GLY 21 N 1.36 3.07 0.12 6.12 0.00 -0.07 -4.80 105.19 110.99 1q56 n GLY 21 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1q56 n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q56 n ARG 22 N -1.19 2.27 -0.66 1.61 0.63 -1.26 -3.30 116.66 114.76 1q56 n ARG 22 Ca 0.00 -0.27 -0.24 0.00 -0.92 0.00 0.00 57.85 56.43 1q56 n ARG 22 Cb 0.00 -1.17 0.12 0.00 0.45 0.00 0.00 32.46 31.87 1q56 n ARG 22 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1q56 n THR 23 N -0.90 0.00 0.00 5.15 5.66 -1.26 -4.92 114.28 118.00 1q56 n THR 23 Ca 0.04 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1q56 n THR 23 Cb 0.24 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 1q56 n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q56 n TYR 24 N -4.16 0.00 -3.19 1.09 9.36 -1.26 -4.33 117.16 114.68 1q56 n TYR 24 Ca 0.03 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.80 1q56 n TYR 24 Cb 0.46 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.12 1q56 n TYR 24 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1q56 s MET 25 N 0.00 3.04 -0.24 2.98 -1.94 -1.16 -4.88 119.30 117.10 1q56 s MET 25 Ca 0.00 -1.34 -0.17 0.00 -1.71 0.00 0.00 55.69 52.47 1q56 s MET 25 Cb 0.00 -4.24 -0.03 0.00 2.01 0.00 0.00 34.83 32.57 1q56 s MET 25 CO 0.00 -1.40 0.46 -2.00 -0.01 0.00 0.00 175.02 172.07 1q56 s GLU 26 N 2.35 4.10 -0.35 2.03 2.12 -1.24 -2.32 118.70 125.40 1q56 s GLU 26 Ca 0.10 0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.65 1q56 s GLU 26 Cb -0.25 -3.61 0.07 0.00 0.26 0.00 0.00 34.13 30.61 1q56 s GLU 26 CO 0.06 -0.23 0.10 0.71 -0.54 0.00 0.00 175.26 175.36 1q56 s TYR 27 N 1.91 3.41 -0.53 5.30 1.51 0.64 -4.85 117.35 124.74 1q56 s TYR 27 Ca 0.20 -2.07 0.04 0.00 -1.01 0.00 0.00 57.07 54.22 1q56 s TYR 27 Cb -0.15 -2.61 0.15 0.00 -0.11 0.00 0.00 41.96 39.23 1q56 s TYR 27 CO 0.09 -0.87 0.32 -1.01 -1.11 0.00 0.00 175.55 172.97 1q56 s HIS 28 N 1.21 2.68 0.47 2.71 3.76 -1.26 -2.50 115.29 122.36 1q56 s HIS 28 Ca 0.01 -2.88 0.02 0.00 -0.15 0.00 0.00 55.06 52.07 1q56 s HIS 28 Cb -0.21 -2.30 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 1q56 s HIS 28 CO -0.02 -0.71 0.03 -0.80 -0.85 0.00 0.00 174.74 172.38 1q56 s ASN 29 N -0.33 3.82 -0.63 1.40 -0.87 -1.26 -5.08 114.94 111.98 1q56 s ASN 29 Ca 0.21 -1.61 -0.21 0.00 -1.57 0.00 0.00 52.86 49.68 1q56 s ASN 29 Cb -0.17 0.37 0.09 0.00 -0.02 0.00 0.00 41.25 41.51 1q56 s ASN 29 CO -0.06 -0.80 0.85 0.00 -2.57 0.00 0.00 177.10 174.52 1q56 s ALA 30 N -2.92 3.25 1.18 0.60 0.00 -1.26 -4.94 121.76 117.67 1q56 s ALA 30 Ca 0.14 -2.02 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 1q56 s ALA 30 Cb 0.03 -3.72 0.29 0.00 0.00 0.00 0.00 23.12 19.73 1q56 s ALA 30 CO 0.07 -2.59 1.02 0.08 0.00 0.00 0.00 175.76 174.35 1q56 s VAL 31 N 3.45 2.00 0.39 0.00 1.01 -1.26 -5.05 120.40 120.94 1q56 s VAL 31 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1q56 s VAL 31 Cb -0.20 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1q56 s VAL 31 CO 0.08 -0.00 0.08 0.35 0.00 0.00 0.00 175.10 175.62 1q56 n THR 32 N -5.00 0.00 -1.53 3.92 -2.24 -1.26 -5.01 114.28 103.15 1q56 n THR 32 Ca 0.03 -2.09 -0.20 0.00 -2.27 0.00 0.00 64.05 59.52 1q56 n THR 32 Cb 0.54 0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 1q56 n THR 32 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1q56 n LYS 33 N -0.91 0.37 0.00 -0.78 4.81 -1.26 -4.50 118.16 115.90 1q56 n LYS 33 Ca -0.10 -0.43 0.00 0.00 -0.87 0.00 0.00 58.31 56.92 1q56 n LYS 33 Cb 0.55 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1q56 n LYS 33 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1q56 n SER 34 N 13.40 3.81 0.00 3.14 2.88 -1.26 -4.98 113.62 130.61 1q56 n SER 34 Ca 0.55 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1q56 n SER 34 Cb 0.31 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.60 1q56 n SER 34 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1q56 n GLU 35 N -1.21 0.00 -2.74 -1.46 1.02 -1.26 -5.07 120.64 109.92 1q56 n GLU 35 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1q56 n GLU 35 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1q56 n GLU 35 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1q56 n LYS 36 N -0.23 -3.66 -3.67 3.49 4.81 -1.26 -4.15 118.16 113.48 1q56 n LYS 36 Ca 0.00 2.85 -0.22 0.00 -0.87 0.00 0.00 58.31 60.08 1q56 n LYS 36 Cb 0.00 -4.24 0.00 0.00 0.02 0.00 0.00 35.03 30.81 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q56 n ALA 37 N 1.65 -2.75 -1.08 3.14 0.00 -1.26 -4.93 120.51 115.28 1q56 n ALA 37 Ca -0.26 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 1q56 n ALA 37 Cb 0.43 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 19.03 1q56 n ALA 37 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1q56 n LEU 38 N -2.37 0.00 -0.05 0.00 -0.00 -1.26 -4.99 117.00 108.33 1q56 n LEU 38 Ca -0.26 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.38 1q56 n LEU 38 Cb 0.67 -0.30 0.01 0.00 -0.00 0.00 0.00 43.42 43.80 1q56 n LEU 38 CO 0.62 -1.21 0.49 0.00 -0.00 0.00 0.00 177.39 177.29 1q56 n GLN 39 N -2.34 2.70 -3.64 1.47 10.64 -1.26 -4.87 117.38 120.08 1q56 n GLN 39 Ca 0.05 -1.47 -0.07 0.00 -1.83 0.00 0.00 57.00 53.68 1q56 n GLN 39 Cb 0.18 -1.02 -0.07 0.00 -0.86 0.00 0.00 30.24 28.47 1q56 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1q56 s SER 40 N -0.93 -0.85 0.32 2.61 1.04 -1.26 -2.49 113.70 112.15 1q56 s SER 40 Ca 0.02 1.39 0.05 0.00 0.48 0.00 0.00 55.95 57.88 1q56 s SER 40 Cb 0.01 1.36 -0.02 0.00 0.10 0.00 0.00 66.02 67.47 1q56 s SER 40 CO 0.01 -0.22 0.47 0.20 0.98 0.00 0.00 173.24 174.68 1q56 s ASN 41 N 1.43 6.09 -0.01 7.02 0.01 -0.99 -4.88 114.94 123.61 1q56 s ASN 41 Ca -0.09 0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.09 1q56 s ASN 41 Cb -0.05 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1q56 s ASN 41 CO -0.17 -0.34 -0.06 -1.00 -1.51 0.00 0.00 177.10 174.02 1q56 s HIS 42 N -2.17 0.60 -0.08 2.20 3.76 -1.25 -2.33 115.29 116.01 1q56 s HIS 42 Ca 0.42 -0.12 -0.03 0.00 -0.15 0.00 0.00 55.06 55.17 1q56 s HIS 42 Cb -0.09 -0.43 0.05 0.00 1.11 0.00 0.00 32.58 33.21 1q56 s HIS 42 CO 0.32 -0.05 0.15 -0.06 -0.85 0.00 0.00 174.74 174.25 1q56 s PHE 43 N 0.11 -0.16 0.04 1.40 0.08 -0.68 -2.71 117.98 116.06 1q56 s PHE 43 Ca -0.01 0.56 0.06 0.00 0.12 0.00 0.00 56.93 57.67 1q56 s PHE 43 Cb -0.05 -0.29 -0.02 0.00 -0.57 0.00 0.00 43.02 42.09 1q56 s PHE 43 CO -0.00 -0.28 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.45 1q56 s GLU 44 N 2.28 1.21 0.00 0.44 2.02 -0.44 -1.08 118.70 123.13 1q56 s GLU 44 Ca 0.03 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1q56 s GLU 44 Cb -0.12 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1q56 s GLU 44 CO -0.06 0.32 0.00 1.47 0.02 0.00 0.00 175.26 177.02 1q56 n LEU 45 N 1.86 0.00 -4.39 1.80 -0.00 -1.08 -0.53 117.00 114.66 1q56 n LEU 45 Ca -0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.59 1q56 n LEU 45 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.84 1q56 n LEU 45 CO 0.23 0.00 -0.51 -0.44 -0.00 0.00 0.00 177.39 176.67 1q56 s SER 46 N 0.00 3.13 0.15 1.45 0.01 -0.79 0.02 113.70 117.66 1q56 s SER 46 Ca 0.00 -0.87 -0.10 0.00 1.31 0.00 0.00 55.95 56.28 1q56 s SER 46 Cb 0.00 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1q56 s SER 46 CO 0.00 0.05 0.30 0.27 0.41 0.00 0.00 173.24 174.27 1q56 s ILE 47 N -1.88 0.08 -0.75 1.44 -4.36 -0.82 -1.18 121.20 113.73 1q56 s ILE 47 Ca 0.19 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 1q56 s ILE 47 Cb -0.07 -1.63 0.19 0.00 1.25 0.00 0.00 42.46 42.20 1q56 s ILE 47 CO 0.09 -0.37 0.59 -0.75 0.24 0.00 0.00 174.94 174.74 1q56 s LYS 48 N -3.92 2.80 0.55 0.37 2.20 0.70 -1.98 119.74 120.46 1q56 s LYS 48 Ca 0.12 -3.09 -0.19 0.00 -0.36 0.00 0.00 55.97 52.46 1q56 s LYS 48 Cb 0.03 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1q56 s LYS 48 CO -0.04 -1.24 1.11 0.95 -0.36 0.00 0.00 175.35 175.77 1q56 s THR 49 N -1.02 3.29 0.00 3.43 -4.23 -1.26 -1.41 115.64 114.44 1q56 s THR 49 Ca 0.24 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 1q56 s THR 49 Cb -0.11 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1q56 s THR 49 CO -0.11 -0.20 0.07 -0.62 -0.54 0.00 0.00 174.62 173.23 1q56 n GLU 50 N -1.39 0.32 -3.69 3.99 -0.58 -1.08 -1.77 120.64 116.44 1q56 n GLU 50 Ca 0.11 -0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1q56 n GLU 50 Cb 0.51 -0.45 -0.12 0.00 -0.57 0.00 0.00 31.44 30.81 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 s ALA 51 N -0.07 -0.75 -0.05 0.62 0.00 -1.26 -5.00 121.76 115.25 1q56 s ALA 51 Ca 0.00 1.17 0.18 0.00 0.00 0.00 0.00 51.96 53.31 1q56 s ALA 51 Cb 0.00 -0.90 0.95 0.00 0.00 0.00 0.00 23.12 23.18 1q56 s ALA 51 CO 0.00 -0.41 1.48 1.79 0.00 0.00 0.00 175.76 178.62 1q56 h THR 52 N 5.95 0.00 -3.77 0.00 1.35 -1.92 -3.40 112.91 111.13 1q56 h THR 52 Ca -0.29 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.95 1q56 h THR 52 Cb 1.14 0.39 -0.32 0.00 -1.73 0.00 0.00 68.15 67.63 1q56 h THR 52 CO 0.26 0.00 -0.86 -1.58 -0.25 0.00 0.00 175.52 173.09 1q56 s GLN 53 N -3.45 2.24 0.00 4.72 2.00 -1.25 -1.70 119.66 122.23 1q56 s GLN 53 Ca -0.02 -0.72 0.00 0.00 -2.00 0.00 0.00 55.36 52.62 1q56 s GLN 53 Cb 0.05 -1.86 0.00 0.00 0.80 0.00 0.00 33.01 32.00 1q56 s GLN 53 CO 0.16 0.25 0.00 0.41 -0.50 0.00 0.00 175.29 175.61 1q56 n GLY 54 N 3.24 3.69 3.79 2.59 0.00 -0.23 -4.84 105.19 113.43 1q56 n GLY 54 Ca -0.19 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1q56 n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q56 s LEU 55 N 0.00 4.41 -0.11 0.99 2.96 -0.48 0.22 118.68 126.67 1q56 s LEU 55 Ca 0.00 1.64 -0.04 0.00 -0.22 0.00 0.00 54.13 55.51 1q56 s LEU 55 Cb 0.00 -3.68 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1q56 s LEU 55 CO 0.00 0.04 -0.13 -0.38 -1.32 0.00 0.00 176.35 174.56 1q56 n ILE 56 N 0.87 0.62 -4.17 6.68 5.41 0.66 -3.08 119.36 126.36 1q56 n ILE 56 Ca -0.01 -0.18 -0.16 0.00 1.00 0.00 0.00 62.75 63.40 1q56 n ILE 56 Cb 0.50 -1.42 -0.13 0.00 -0.71 0.00 0.00 39.64 37.88 1q56 n ILE 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1q56 s LEU 57 N -6.32 2.14 -0.19 1.39 0.20 0.13 0.38 118.68 116.41 1q56 s LEU 57 Ca -0.15 -0.35 -0.05 0.00 0.69 0.00 0.00 54.13 54.26 1q56 s LEU 57 Cb 0.05 -0.31 0.09 0.00 -0.43 0.00 0.00 46.19 45.60 1q56 s LEU 57 CO 0.21 -0.05 0.34 0.86 -0.29 0.00 0.00 176.35 177.43 1q56 s TRP 58 N -0.78 -0.64 0.28 5.38 -0.11 0.20 0.28 118.94 123.56 1q56 s TRP 58 Ca -0.03 1.10 0.02 0.00 1.22 0.00 0.00 56.10 58.41 1q56 s TRP 58 Cb -0.06 0.08 -0.01 0.00 -1.50 0.00 0.00 33.47 31.98 1q56 s TRP 58 CO 0.00 -0.50 0.06 -1.13 -4.62 0.00 0.00 176.95 170.77 1q56 n SER 59 N 5.37 1.69 0.00 5.86 3.41 0.33 -0.52 113.62 129.76 1q56 n SER 59 Ca -0.06 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1q56 n SER 59 Cb 0.50 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 1q56 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q56 n GLY 60 N 0.60 0.90 4.08 5.00 0.00 -1.26 -3.07 105.19 111.44 1q56 n GLY 60 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1q56 n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q56 n LYS 61 N 0.00 0.00 0.00 1.61 4.81 -1.26 -4.35 118.16 118.97 1q56 n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1q56 n LYS 61 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 34.97 1q56 n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q56 n GLY 62 N 0.00 1.28 3.58 3.14 0.00 -1.26 -5.05 105.19 106.88 1q56 n GLY 62 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1q56 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q56 s LEU 63 N 0.00 3.00 0.45 0.99 2.01 -1.26 -5.01 118.68 118.86 1q56 s LEU 63 Ca 0.00 -0.64 0.13 0.00 0.01 0.00 0.00 54.13 53.63 1q56 s LEU 63 Cb 0.00 -1.62 1.02 0.00 0.01 0.00 0.00 46.19 45.60 1q56 s LEU 63 CO 0.00 0.07 2.03 -0.33 1.01 0.00 0.00 176.35 179.12 1q56 h GLU 64 N 2.55 0.09 0.00 1.70 4.39 -1.99 -3.39 114.58 117.92 1q56 h GLU 64 Ca -0.45 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1q56 h GLU 64 Cb 1.22 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1q56 h GLU 64 CO 0.56 0.18 0.00 2.89 -1.16 0.00 0.00 179.01 181.49 1q56 n ARG 65 N -4.39 0.00 -1.18 2.33 1.85 -1.26 -5.08 116.66 108.93 1q56 n ARG 65 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1q56 n ARG 65 Cb 0.19 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 1q56 n ARG 65 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1q56 n SER 66 N 0.00 1.06 -4.47 2.89 3.41 -1.26 -4.66 113.62 110.59 1q56 n SER 66 Ca 0.00 -0.77 -0.55 0.00 -0.26 0.00 0.00 58.87 57.29 1q56 n SER 66 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1q56 n SER 66 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1q56 n ASP 67 N -1.49 -0.34 -3.55 4.04 5.75 -1.24 -4.66 116.55 115.05 1q56 n ASP 67 Ca 0.00 1.15 -0.07 0.00 -0.01 0.00 0.00 54.79 55.86 1q56 n ASP 67 Cb 0.00 -0.94 -0.02 0.00 -1.03 0.00 0.00 41.12 39.13 1q56 n ASP 67 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1q56 s TYR 68 N -0.31 -0.24 -0.11 2.11 -0.85 -1.10 -4.82 117.35 112.03 1q56 s TYR 68 Ca 0.82 0.18 -0.08 0.00 -0.52 0.00 0.00 57.07 57.47 1q56 s TYR 68 Cb -1.15 0.52 0.04 0.00 0.38 0.00 0.00 41.96 41.75 1q56 s TYR 68 CO 0.56 -0.37 0.27 -1.50 -1.52 0.00 0.00 175.55 173.00 1q56 s ILE 69 N -2.63 -0.01 0.18 -3.49 2.07 -1.17 -0.27 121.20 115.87 1q56 s ILE 69 Ca 0.07 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.38 1q56 s ILE 69 Cb -0.01 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 1q56 s ILE 69 CO -0.06 0.02 0.08 0.00 -1.91 0.00 0.00 174.94 173.07 1q56 n ALA 70 N 3.43 0.28 -3.37 1.50 0.00 -0.86 -0.51 120.51 120.98 1q56 n ALA 70 Ca -0.17 -0.92 -0.14 0.00 0.00 0.00 0.00 53.44 52.20 1q56 n ALA 70 Cb 0.56 0.65 -0.08 0.00 0.00 0.00 0.00 19.45 20.58 1q56 n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q56 s LEU 71 N 0.00 -0.44 0.46 0.00 1.43 0.81 -2.04 118.68 118.90 1q56 s LEU 71 Ca 0.11 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1q56 s LEU 71 Cb 0.01 0.74 -0.04 0.00 0.03 0.00 0.00 46.19 46.92 1q56 s LEU 71 CO 0.08 -0.37 0.03 0.00 0.23 0.00 0.00 176.35 176.32 1q56 s ALA 72 N 2.43 3.70 -0.12 4.21 0.00 -1.16 0.24 121.76 131.06 1q56 s ALA 72 Ca 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1q56 s ALA 72 Cb -0.14 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1q56 s ALA 72 CO -0.30 -0.08 -0.13 0.42 0.00 0.00 0.00 175.76 175.67 1q56 s ILE 73 N -2.79 3.09 -0.02 0.00 1.01 0.59 -1.25 121.20 121.83 1q56 s ILE 73 Ca 0.21 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1q56 s ILE 73 Cb 0.05 -2.29 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1q56 s ILE 73 CO 0.11 0.53 0.03 0.54 0.00 0.00 0.00 174.94 176.15 1q56 s VAL 74 N 0.22 -0.05 -0.03 2.92 0.11 -0.69 -1.07 120.40 121.82 1q56 s VAL 74 Ca -0.08 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1q56 s VAL 74 Cb -0.15 -0.07 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1q56 s VAL 74 CO 0.05 0.08 0.00 0.47 -3.33 0.00 0.00 175.10 172.37 1q56 n ASP 75 N 4.05 -5.81 0.00 3.54 8.00 -0.82 -0.84 116.55 124.66 1q56 n ASP 75 Ca -0.26 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1q56 n ASP 75 Cb 0.51 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 1q56 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q56 n GLY 76 N 0.74 0.86 2.75 0.44 0.00 -0.76 -4.94 105.19 104.28 1q56 n GLY 76 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1q56 n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q56 s PHE 77 N -2.03 1.26 0.48 1.61 0.08 -0.02 -3.11 117.98 116.25 1q56 s PHE 77 Ca 0.00 -1.08 -0.06 0.00 0.12 0.00 0.00 56.93 55.92 1q56 s PHE 77 Cb 0.00 -1.18 0.09 0.00 -0.57 0.00 0.00 43.02 41.36 1q56 s PHE 77 CO 0.00 -0.67 0.20 1.33 -0.10 0.00 0.00 175.22 175.98 1q56 n VAL 78 N 4.98 0.00 -3.46 -0.44 0.24 -1.26 -2.90 118.33 115.49 1q56 n VAL 78 Ca -0.08 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.23 1q56 n VAL 78 Cb 0.46 -0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.56 1q56 n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q56 s GLN 79 N -2.35 0.23 -0.45 7.34 -2.07 -0.38 -1.67 119.66 120.30 1q56 s GLN 79 Ca 0.15 0.48 -0.25 0.00 -1.82 0.00 0.00 55.36 53.92 1q56 s GLN 79 Cb -0.03 0.20 0.03 0.00 -1.09 0.00 0.00 33.01 32.12 1q56 s GLN 79 CO 0.13 -0.06 0.92 1.41 -1.32 0.00 0.00 175.29 176.37 1q56 s MET 80 N 1.85 3.57 -0.32 9.60 1.75 -1.11 -2.98 119.30 131.66 1q56 s MET 80 Ca -0.05 0.20 -0.21 0.00 -1.25 0.00 0.00 55.69 54.39 1q56 s MET 80 Cb -0.04 -3.91 -0.00 0.00 2.84 0.00 0.00 34.83 33.72 1q56 s MET 80 CO -0.15 -1.19 0.67 -1.64 -0.65 0.00 0.00 175.02 172.06 1q56 s MET 81 N 3.72 3.87 -0.26 4.11 1.00 -0.87 -2.19 119.30 128.68 1q56 s MET 81 Ca 0.37 0.32 -0.04 0.00 0.00 0.00 0.00 55.69 56.34 1q56 s MET 81 Cb -0.10 -3.75 0.01 0.00 0.00 0.00 0.00 34.83 30.99 1q56 s MET 81 CO 0.25 -0.64 -0.01 -0.47 0.00 0.00 0.00 175.02 174.16 1q56 s TYR 82 N 2.73 3.07 -0.39 -0.03 6.14 -0.81 -2.03 117.35 126.03 1q56 s TYR 82 Ca 0.27 -1.19 0.09 0.00 0.64 0.00 0.00 57.07 56.88 1q56 s TYR 82 Cb -0.15 -2.14 0.44 0.00 0.42 0.00 0.00 41.96 40.53 1q56 s TYR 82 CO 0.13 -0.63 1.09 -3.47 0.64 0.00 0.00 175.55 173.31 1q56 n ASP 83 N 4.77 3.93 -3.16 4.32 -0.08 0.63 -1.41 116.55 125.56 1q56 n ASP 83 Ca -0.16 -3.44 -0.16 0.00 -1.51 0.00 0.00 54.79 49.52 1q56 n ASP 83 Cb 0.48 -0.46 -0.02 0.00 2.34 0.00 0.00 41.12 43.46 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q56 n LEU 84 N -0.43 2.27 0.00 -2.67 -0.00 -1.26 -2.23 117.00 112.68 1q56 n LEU 84 Ca 0.32 -1.91 0.00 0.00 -0.00 0.00 0.00 56.01 54.43 1q56 n LEU 84 Cb 0.74 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1q56 n LEU 84 CO 0.32 -0.54 0.00 0.61 -0.00 0.00 0.00 177.39 177.77 1q56 n GLY 85 N 4.04 0.64 2.38 1.47 0.00 -1.26 -4.69 105.19 107.77 1q56 n GLY 85 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1q56 n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q56 n SER 86 N 0.00 -3.92 -4.18 1.61 2.88 -0.94 -4.95 113.62 104.12 1q56 n SER 86 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1q56 n SER 86 Cb 0.00 -1.53 -0.07 0.00 -0.75 0.00 0.00 64.21 61.87 1q56 n SER 86 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1q56 s LYS 87 N -0.69 3.00 0.31 -1.46 1.02 -1.26 -5.03 119.74 115.64 1q56 s LYS 87 Ca 0.00 -2.59 -0.28 0.00 0.02 0.00 0.00 55.97 53.12 1q56 s LYS 87 Cb 0.00 -3.99 -0.10 0.00 -0.52 0.00 0.00 37.83 33.22 1q56 s LYS 87 CO 0.00 -1.22 1.15 -1.25 -0.92 0.00 0.00 175.35 173.11 1q56 s PRO 88 N -0.12 4.48 -0.07 -1.68 0.04 -1.21 -3.54 135.00 132.90 1q56 s PRO 88 Ca 0.18 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 1q56 s PRO 88 Cb -0.16 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.35 1q56 s PRO 88 CO -0.06 0.03 0.03 0.54 0.04 0.00 0.00 177.00 177.58 1q56 s VAL 89 N -1.21 0.20 -0.35 -0.36 0.11 -0.50 -4.84 120.40 113.45 1q56 s VAL 89 Ca 0.48 0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 59.56 1q56 s VAL 89 Cb -0.33 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1q56 s VAL 89 CO 0.43 0.19 0.36 0.54 -3.33 0.00 0.00 175.10 173.29 1q56 s VAL 90 N 2.04 5.17 -0.99 2.04 0.11 -1.26 -1.92 120.40 125.59 1q56 s VAL 90 Ca 0.05 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.01 1q56 s VAL 90 Cb -0.13 -3.84 0.29 0.00 -1.53 0.00 0.00 36.38 31.17 1q56 s VAL 90 CO -0.05 -0.14 1.26 0.18 -3.33 0.00 0.00 175.10 173.03 1q56 n LEU 91 N 5.38 5.69 -4.19 2.54 4.77 -0.93 -4.85 117.00 125.41 1q56 n LEU 91 Ca -0.09 -5.23 -0.27 0.00 -0.03 0.00 0.00 56.01 50.38 1q56 n LEU 91 Cb 0.49 -1.17 0.26 0.00 -2.33 0.00 0.00 43.42 40.66 1q56 n LEU 91 CO 0.41 1.71 0.28 0.54 -1.33 0.00 0.00 177.39 179.00 1q56 n ARG 92 N 1.46 -4.04 -4.15 3.23 1.74 -1.26 -2.77 116.66 110.87 1q56 n ARG 92 Ca 0.26 -1.20 -0.26 0.00 -0.77 0.00 0.00 57.85 55.89 1q56 n ARG 92 Cb 0.35 -1.83 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 1q56 n ARG 92 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q56 s SER 93 N -2.74 5.14 -0.26 0.55 0.15 -0.67 -4.36 113.70 111.51 1q56 s SER 93 Ca 0.60 -0.28 0.11 0.00 0.70 0.00 0.00 55.95 57.08 1q56 s SER 93 Cb -0.12 -1.22 0.51 0.00 -1.71 0.00 0.00 66.02 63.48 1q56 s SER 93 CO 0.52 0.07 1.46 0.35 1.20 0.00 0.00 173.24 176.84 1q56 n THR 94 N -0.30 2.47 -4.36 6.45 -2.24 -1.26 -4.76 114.28 110.29 1q56 n THR 94 Ca -0.09 -2.44 -0.21 0.00 -2.27 0.00 0.00 64.05 59.05 1q56 n THR 94 Cb 0.55 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.35 1q56 n THR 94 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1q56 s VAL 95 N -3.11 1.23 -0.16 2.28 1.01 -1.26 -5.05 120.40 115.33 1q56 s VAL 95 Ca 0.44 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1q56 s VAL 95 Cb 0.39 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1q56 s VAL 95 CO 0.03 -0.01 1.68 -2.16 0.00 0.00 0.00 175.10 174.64 1q56 s PRO 96 N -1.30 3.87 -0.15 2.72 0.04 -1.26 -4.76 135.00 134.17 1q56 s PRO 96 Ca 0.02 1.87 0.08 0.00 0.04 0.00 0.00 61.00 63.02 1q56 s PRO 96 Cb -0.08 -4.05 -0.15 0.00 0.04 0.00 0.00 34.50 30.26 1q56 s PRO 96 CO 0.02 -1.22 -0.02 1.51 0.04 0.00 0.00 177.00 177.33 1q56 n ILE 97 N 6.21 0.94 -0.82 0.56 0.13 -1.18 -4.68 119.36 120.52 1q56 n ILE 97 Ca 0.19 -0.50 -0.25 0.00 -1.10 0.00 0.00 62.75 61.09 1q56 n ILE 97 Cb 0.44 -0.80 -0.02 0.00 -0.84 0.00 0.00 39.64 38.42 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1q56 n ASN 98 N -2.67 4.82 -0.10 9.51 6.94 -1.26 -4.02 115.26 128.48 1q56 n ASN 98 Ca -0.25 -2.38 0.03 0.00 -0.02 0.00 0.00 54.58 51.96 1q56 n ASN 98 Cb 0.90 -1.12 0.04 0.00 -2.36 0.00 0.00 39.78 37.23 1q56 n ASN 98 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1q56 n THR 99 N 4.38 0.88 -3.65 5.53 5.66 -1.26 -4.90 114.28 120.93 1q56 n THR 99 Ca 0.46 -0.99 -0.25 0.00 -3.05 0.00 0.00 64.05 60.23 1q56 n THR 99 Cb 0.17 0.40 0.07 0.00 -1.55 0.00 0.00 70.33 69.42 1q56 n THR 99 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1q56 n ASN 100 N -0.58 -5.72 -4.23 1.09 4.13 -0.73 -4.99 115.26 104.23 1q56 n ASN 100 Ca 0.04 -0.60 -0.14 0.00 1.68 0.00 0.00 54.58 55.57 1q56 n ASN 100 Cb 0.48 -4.81 -0.10 0.00 -1.54 0.00 0.00 39.78 33.81 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1q56 s HIS 101 N -3.33 1.21 -0.69 3.10 3.76 -1.26 -4.92 115.29 113.16 1q56 s HIS 101 Ca 0.55 -0.75 -0.27 0.00 -0.15 0.00 0.00 55.06 54.44 1q56 s HIS 101 Cb -0.25 -0.63 0.02 0.00 1.11 0.00 0.00 32.58 32.84 1q56 s HIS 101 CO 0.75 0.05 1.32 -1.58 -0.85 0.00 0.00 174.74 174.44 1q56 s TRP 102 N -3.19 2.28 0.45 1.40 0.52 -1.25 -3.96 118.94 115.19 1q56 s TRP 102 Ca 0.14 0.13 0.08 0.00 0.02 0.00 0.00 56.10 56.48 1q56 s TRP 102 Cb 0.02 -4.55 0.02 0.00 -1.15 0.00 0.00 33.47 27.80 1q56 s TRP 102 CO 0.00 -2.01 0.55 0.99 0.02 0.00 0.00 176.95 176.50 1q56 s THR 103 N 5.91 2.74 0.04 2.01 2.01 -0.84 -4.83 115.64 122.68 1q56 s THR 103 Ca 0.40 -1.10 0.09 0.00 0.31 0.00 0.00 61.69 61.40 1q56 s THR 103 Cb -0.09 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1q56 s THR 103 CO 0.18 0.00 -0.26 -2.28 -0.69 0.00 0.00 174.62 171.57 1q56 s HIS 104 N -2.44 2.32 0.12 4.92 2.46 -1.26 -1.95 115.29 119.46 1q56 s HIS 104 Ca 0.54 -0.42 0.03 0.00 0.47 0.00 0.00 55.06 55.68 1q56 s HIS 104 Cb -0.07 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 30.93 1q56 s HIS 104 CO 0.32 0.11 -0.09 0.42 -2.47 0.00 0.00 174.74 173.04 1q56 s ILE 105 N -0.79 0.92 -0.05 0.89 1.01 0.10 0.22 121.20 123.51 1q56 s ILE 105 Ca 0.12 -1.93 -0.19 0.00 0.00 0.00 0.00 60.65 58.65 1q56 s ILE 105 Cb -0.10 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.72 1q56 s ILE 105 CO 0.02 -0.77 0.42 -0.75 0.00 0.00 0.00 174.94 173.86 1q56 s LYS 106 N -3.61 0.74 -0.27 2.79 2.36 0.56 -2.65 119.74 119.66 1q56 s LYS 106 Ca 0.13 0.04 -0.02 0.00 -2.55 0.00 0.00 55.97 53.56 1q56 s LYS 106 Cb 0.03 0.34 0.11 0.00 -1.05 0.00 0.00 37.83 37.26 1q56 s LYS 106 CO -0.02 -0.20 0.22 0.00 1.55 0.00 0.00 175.35 176.90 1q56 s ALA 107 N -1.06 -0.05 -0.32 3.13 0.00 -0.24 0.15 121.76 123.37 1q56 s ALA 107 Ca -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1q56 s ALA 107 Cb -0.04 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 21.61 1q56 s ALA 107 CO 0.05 -1.58 0.03 1.52 0.00 0.00 0.00 175.76 175.77 1q56 s TYR 108 N 2.26 3.46 0.23 0.00 1.13 -0.81 -1.69 117.35 121.94 1q56 s TYR 108 Ca 0.09 -2.38 -0.08 0.00 -1.41 0.00 0.00 57.07 53.28 1q56 s TYR 108 Cb -0.15 -2.49 -0.07 0.00 -1.10 0.00 0.00 41.96 38.15 1q56 s TYR 108 CO -0.30 -0.89 0.54 0.50 -2.51 0.00 0.00 175.55 172.89 1q56 s ARG 109 N 1.10 3.75 -0.33 -3.49 3.00 -0.98 -2.29 118.95 119.72 1q56 s ARG 109 Ca 0.01 0.20 -0.02 0.00 -1.00 0.00 0.00 55.73 54.92 1q56 s ARG 109 Cb -0.20 -2.66 0.11 0.00 0.00 0.00 0.00 34.95 32.20 1q56 s ARG 109 CO -0.04 0.31 0.15 0.08 0.00 0.00 0.00 175.30 175.80 1q56 s VAL 110 N -1.86 0.37 -0.01 7.11 1.01 0.35 -2.35 120.40 125.02 1q56 s VAL 110 Ca 0.46 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1q56 s VAL 110 Cb -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1q56 s VAL 110 CO 0.23 -0.80 0.01 0.00 0.00 0.00 0.00 175.10 174.55 1q56 n GLN 111 N 4.68 -1.27 0.00 2.72 6.02 -1.04 -2.80 117.38 125.69 1q56 n GLN 111 Ca 0.01 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 1q56 n GLN 111 Cb 0.40 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1q56 n GLN 111 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1q56 n ARG 112 N 2.10 0.00 -3.28 -1.09 0.00 -1.26 -4.74 116.66 108.38 1q56 n ARG 112 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.40 1q56 n ARG 112 Cb 0.04 -0.31 -0.08 0.00 -0.00 0.00 0.00 32.46 32.11 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1q56 s GLU 113 N 0.00 3.12 0.28 2.89 -6.30 -1.12 -0.11 118.70 117.46 1q56 s GLU 113 Ca 0.00 -0.72 0.05 0.00 -2.50 0.00 0.00 54.97 51.80 1q56 s GLU 113 Cb 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 34.13 30.13 1q56 s GLU 113 CO 0.00 -0.89 0.42 0.20 0.02 0.00 0.00 175.26 175.01 1q56 s GLY 114 N 1.88 1.33 0.11 -1.50 0.00 0.40 -0.50 107.32 109.05 1q56 s GLY 114 Ca 0.14 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.65 1q56 s GLY 114 CO 0.14 -1.22 -0.10 -0.45 0.00 0.00 0.00 173.10 171.47 1q56 s SER 115 N -4.04 1.54 0.02 1.64 0.15 -0.97 -0.97 113.70 111.07 1q56 s SER 115 Ca 0.38 -0.87 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 1q56 s SER 115 Cb -0.09 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 1q56 s SER 115 CO 0.31 -0.29 -0.03 -0.22 1.20 0.00 0.00 173.24 174.21 1q56 s LEU 116 N -2.65 2.26 -0.08 3.45 1.98 -0.77 -1.92 118.68 120.95 1q56 s LEU 116 Ca 0.09 -0.57 -0.15 0.00 -2.89 0.00 0.00 54.13 50.61 1q56 s LEU 116 Cb -0.01 0.13 0.03 0.00 0.66 0.00 0.00 46.19 47.00 1q56 s LEU 116 CO -0.00 -0.35 0.36 -1.58 -1.89 0.00 0.00 176.35 172.90 1q56 s GLN 117 N -1.83 0.56 -0.54 1.98 0.74 0.40 0.25 119.66 121.22 1q56 s GLN 117 Ca -0.13 0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.37 1q56 s GLN 117 Cb -0.07 0.26 0.13 0.00 1.10 0.00 0.00 33.01 34.43 1q56 s GLN 117 CO -0.02 -0.12 0.46 0.08 -0.55 0.00 0.00 175.29 175.14 1q56 s VAL 118 N -0.50 4.83 -0.75 1.34 1.01 -1.26 0.21 120.40 125.29 1q56 s VAL 118 Ca -0.06 -1.73 -0.05 0.00 0.00 0.00 0.00 61.98 60.14 1q56 s VAL 118 Cb -0.04 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1q56 s VAL 118 CO 0.02 -0.85 0.61 0.61 0.00 0.00 0.00 175.10 175.50 1q56 n GLY 119 N 4.97 0.13 2.69 4.51 0.00 0.59 -2.72 105.19 115.37 1q56 n GLY 119 Ca -0.09 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1q56 n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q56 n ASN 120 N -0.90 -5.41 0.00 1.61 2.85 -1.26 -4.96 115.26 107.19 1q56 n ASN 120 Ca -0.00 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1q56 n ASN 120 Cb 0.54 -4.47 0.00 0.00 1.24 0.00 0.00 39.78 37.09 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1q56 n GLU 121 N -3.36 3.79 -0.78 1.20 1.02 -1.10 -4.93 120.64 116.47 1q56 n GLU 121 Ca -0.17 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.82 1q56 n GLU 121 Cb 0.64 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.96 1q56 n GLU 121 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q56 n ALA 122 N -3.00 0.43 -1.77 0.62 0.00 -1.26 -4.34 120.51 111.18 1q56 n ALA 122 Ca 0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 53.44 52.73 1q56 n ALA 122 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 1q56 n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q56 s PRO 123 N 4.04 4.55 -0.45 0.00 0.04 -1.26 -4.36 135.00 137.57 1q56 s PRO 123 Ca 0.70 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 1q56 s PRO 123 Cb -0.52 -2.94 0.11 0.00 0.04 0.00 0.00 34.50 31.19 1q56 s PRO 123 CO 0.28 0.20 0.30 0.42 0.04 0.00 0.00 177.00 178.24 1q56 s ILE 124 N -1.41 3.96 0.37 0.56 1.09 0.14 -4.86 121.20 121.04 1q56 s ILE 124 Ca 0.49 -1.81 0.08 0.00 -1.10 0.00 0.00 60.65 58.30 1q56 s ILE 124 Cb -0.25 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 1q56 s ILE 124 CO 0.31 -0.72 0.28 0.42 -0.10 0.00 0.00 174.94 175.13 1q56 s THR 125 N 1.31 3.06 -0.10 2.92 -4.23 -1.26 -1.85 115.64 115.49 1q56 s THR 125 Ca 0.06 -1.46 -0.33 0.00 -1.18 0.00 0.00 61.69 58.78 1q56 s THR 125 Cb -0.25 -3.07 0.14 0.00 1.34 0.00 0.00 72.50 70.66 1q56 s THR 125 CO -0.01 -0.11 1.35 -0.83 -0.54 0.00 0.00 174.62 174.48 1q56 s GLY 126 N -4.00 -0.41 0.23 3.99 0.00 -0.14 -4.97 107.32 102.02 1q56 s GLY 126 Ca 0.42 1.04 0.00 0.00 0.00 0.00 0.00 44.72 46.19 1q56 s GLY 126 CO 0.26 0.25 0.11 -0.56 0.00 0.00 0.00 173.10 173.16 1q56 s SER 127 N -2.79 0.73 0.36 1.64 0.01 -1.26 0.15 113.70 112.55 1q56 s SER 127 Ca 0.14 -1.39 0.03 0.00 1.31 0.00 0.00 55.95 56.04 1q56 s SER 127 Cb 0.05 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 1q56 s SER 127 CO -0.05 -0.78 0.53 -0.94 0.41 0.00 0.00 173.24 172.42 1q56 s SER 128 N -3.25 6.01 -0.53 2.44 1.04 0.84 -4.90 113.70 115.36 1q56 s SER 128 Ca 0.38 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 1q56 s SER 128 Cb 0.07 -1.53 -0.10 0.00 0.10 0.00 0.00 66.02 64.57 1q56 s SER 128 CO 0.13 -0.46 2.22 -0.81 0.98 0.00 0.00 173.24 175.30 1q56 n PRO 129 N -1.78 1.73 0.00 4.02 -0.04 -1.26 -4.88 135.00 132.78 1q56 n PRO 129 Ca -0.01 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1q56 n PRO 129 Cb 0.58 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1q56 n PRO 129 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q56 n LEU 130 N 3.53 0.00 0.00 1.53 4.32 -1.26 -4.88 117.00 120.24 1q56 n LEU 130 Ca 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 1q56 n LEU 130 Cb 0.31 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1q56 n LEU 130 CO 0.48 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1q56 n GLY 131 N 0.00 0.98 3.07 -0.72 0.00 -1.26 -4.99 105.19 102.27 1q56 n GLY 131 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1q56 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ALA 132 N -2.00 0.78 -0.01 4.61 0.00 -1.26 -4.93 121.76 118.95 1q56 s ALA 132 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1q56 s ALA 132 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1q56 s ALA 132 CO 0.00 0.11 0.74 2.41 0.00 0.00 0.00 175.76 179.02 1q56 n THR 133 N 2.05 0.17 0.00 0.00 -1.04 -1.26 -5.00 114.28 109.20 1q56 n THR 133 Ca -0.18 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1q56 n THR 133 Cb 0.56 0.73 0.00 0.00 -1.82 0.00 0.00 70.33 69.80 1q56 n THR 133 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q56 n GLN 134 N -0.11 0.00 -2.71 -2.82 6.02 -1.26 -5.10 117.38 111.41 1q56 n GLN 134 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.93 1q56 n GLN 134 Cb 0.56 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.91 1q56 n GLN 134 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1q56 n LEU 135 N 0.00 -1.98 -4.67 1.08 0.00 -1.26 -4.93 117.00 105.24 1q56 n LEU 135 Ca 0.00 -3.01 -0.43 0.00 0.00 0.00 0.00 56.01 52.58 1q56 n LEU 135 Cb 0.00 0.93 -0.02 0.00 0.00 0.00 0.00 43.42 44.33 1q56 n LEU 135 CO 0.00 1.90 0.96 -1.81 0.00 0.00 0.00 177.39 178.43 1q56 s ASP 136 N -0.92 7.06 0.30 1.96 1.01 -1.26 -4.87 116.67 119.96 1q56 s ASP 136 Ca 0.22 1.61 0.08 0.00 0.71 0.00 0.00 52.55 55.18 1q56 s ASP 136 Cb 0.29 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1q56 s ASP 136 CO -0.11 -0.64 -0.09 0.42 0.21 0.00 0.00 175.17 174.96 1q56 s THR 137 N 2.85 1.98 -0.25 -1.27 -4.23 -1.26 -5.02 115.64 108.45 1q56 s THR 137 Ca 0.51 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1q56 s THR 137 Cb -0.20 -2.50 0.33 0.00 1.34 0.00 0.00 72.50 71.47 1q56 s THR 137 CO 0.15 -0.28 1.43 -0.90 -0.54 0.00 0.00 174.62 174.48 1q56 n ASP 138 N -0.67 3.37 -1.11 3.99 5.75 -1.26 -4.81 116.55 121.81 1q56 n ASP 138 Ca -0.05 -2.77 -0.10 0.00 -0.01 0.00 0.00 54.79 51.85 1q56 n ASP 138 Cb 0.63 -0.66 -0.04 0.00 -1.03 0.00 0.00 41.12 40.01 1q56 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 139 N -0.27 1.00 3.72 6.12 0.00 -1.26 -4.68 105.19 109.82 1q56 n GLY 139 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1q56 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ALA 140 N -1.81 1.89 -0.17 4.61 0.00 -1.26 -4.88 121.76 120.14 1q56 s ALA 140 Ca 0.00 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 1q56 s ALA 140 Cb 0.00 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.79 1q56 s ALA 140 CO 0.00 -2.21 0.65 -1.17 0.00 0.00 0.00 175.76 173.03 1q56 s LEU 141 N -6.05 -0.50 -0.34 0.00 2.96 -1.04 -4.11 118.68 109.60 1q56 s LEU 141 Ca 0.66 1.05 -0.00 0.00 -0.22 0.00 0.00 54.13 55.62 1q56 s LEU 141 Cb -0.22 2.31 0.11 0.00 0.50 0.00 0.00 46.19 48.89 1q56 s LEU 141 CO 0.54 -0.38 0.13 0.26 -1.32 0.00 0.00 176.35 175.59 1q56 s TRP 142 N -0.28 1.72 -0.22 5.38 0.52 0.32 -0.26 118.94 126.11 1q56 s TRP 142 Ca -0.05 -1.88 -0.03 0.00 0.02 0.00 0.00 56.10 54.16 1q56 s TRP 142 Cb -0.03 -1.71 -0.00 0.00 -1.15 0.00 0.00 33.47 30.57 1q56 s TRP 142 CO 0.04 -0.86 -0.06 -1.17 0.02 0.00 0.00 176.95 174.93 1q56 s LEU 143 N 1.31 2.84 0.00 2.99 0.20 -0.98 0.62 118.68 125.67 1q56 s LEU 143 Ca 0.12 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.50 1q56 s LEU 143 Cb -0.19 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 1q56 s LEU 143 CO -0.18 -0.03 0.00 0.61 -0.29 0.00 0.00 176.35 176.46 1q56 n GLY 144 N 4.78 0.24 0.00 7.98 0.00 1.20 -3.01 105.19 116.38 1q56 n GLY 144 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1q56 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q56 n GLY 145 N 0.00 0.33 3.02 -0.02 0.00 -1.22 -3.12 105.19 104.18 1q56 n GLY 145 Ca 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1q56 n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1q56 s MET 146 N -2.00 0.34 0.61 1.61 1.75 -1.26 -4.72 119.30 115.63 1q56 s MET 146 Ca 0.00 0.70 0.26 0.00 -1.25 0.00 0.00 55.69 55.40 1q56 s MET 146 Cb 0.00 -0.21 1.26 0.00 2.84 0.00 0.00 34.83 38.72 1q56 s MET 146 CO 0.00 -0.52 1.69 1.49 -0.65 0.00 0.00 175.02 177.03 1q56 h GLU 147 N 8.18 0.00 -2.03 4.11 4.22 -1.93 -2.83 114.58 124.30 1q56 h GLU 147 Ca -0.18 0.00 -0.45 0.00 0.08 0.00 0.00 59.36 58.80 1q56 h GLU 147 Cb 1.14 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.07 1q56 h GLU 147 CO 0.23 0.00 -0.80 -0.98 -2.18 0.00 0.00 179.01 175.27 1q56 s ARG 148 N -4.42 0.84 0.00 1.92 3.03 -1.26 -5.00 118.95 114.05 1q56 s ARG 148 Ca -0.03 -1.54 0.00 0.00 2.03 0.00 0.00 55.73 56.19 1q56 s ARG 148 Cb 0.13 -0.98 0.00 0.00 -1.03 0.00 0.00 34.95 33.07 1q56 s ARG 148 CO 0.43 -1.31 0.37 -0.11 -1.13 0.00 0.00 175.30 173.55 1q56 n LEU 149 N 3.31 0.91 0.32 -1.89 -0.00 -1.07 -3.54 117.00 115.04 1q56 n LEU 149 Ca 0.21 -0.45 0.21 0.00 -0.00 0.00 0.00 56.01 55.98 1q56 n LEU 149 Cb 0.48 -0.29 1.11 0.00 -0.00 0.00 0.00 43.42 44.71 1q56 n LEU 149 CO 0.07 0.19 1.14 0.77 -0.00 0.00 0.00 177.39 179.55 1q56 h SER 150 N 0.54 0.00 0.00 1.96 4.64 -1.94 -3.38 113.55 115.37 1q56 h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q56 h SER 150 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1q56 h SER 150 CO 0.00 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.51 1q56 n VAL 151 N -3.03 0.00 0.00 0.95 3.14 -1.23 -4.62 118.33 113.54 1q56 n VAL 151 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1q56 n VAL 151 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 1q56 n VAL 151 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q56 n ALA 152 N -3.00 0.00 -1.26 1.55 0.00 -1.26 -4.90 120.51 111.64 1q56 n ALA 152 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1q56 n ALA 152 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1q56 n ALA 152 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1q56 n HIS 153 N 0.00 -2.72 -0.15 0.00 -0.00 -1.26 -4.43 115.22 106.66 1q56 n HIS 153 Ca 0.00 1.49 0.00 0.00 0.46 0.00 0.00 57.72 59.67 1q56 n HIS 153 Cb 0.00 -2.38 0.00 0.00 -0.12 0.00 0.00 29.99 27.49 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1q56 n LYS 154 N -3.21 -0.79 -4.11 1.57 2.85 -1.26 -4.84 118.16 108.37 1q56 n LYS 154 Ca -0.03 0.04 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 1q56 n LYS 154 Cb 0.39 -2.24 -0.11 0.00 -0.65 0.00 0.00 35.03 32.43 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1q56 s LEU 155 N 0.00 2.36 0.00 -5.58 -0.00 -1.26 -5.16 118.68 109.04 1q56 s LEU 155 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 54.13 53.40 1q56 s LEU 155 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 46.19 46.06 1q56 s LEU 155 CO 0.00 -0.31 0.00 -0.81 -0.00 0.00 0.00 176.35 175.23 1q56 n PRO 156 N 0.86 0.66 0.00 1.48 -0.04 -1.26 -4.77 135.00 131.92 1q56 n PRO 156 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1q56 n PRO 156 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1q56 n PRO 156 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q56 n LYS 157 N -0.24 0.00 -0.38 0.54 4.01 -1.26 -3.18 118.16 117.64 1q56 n LYS 157 Ca 0.00 0.35 0.35 0.00 -0.51 0.00 0.00 58.31 58.51 1q56 n LYS 157 Cb 0.00 -1.59 0.63 0.00 -0.51 0.00 0.00 35.03 33.55 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q56 n ALA 158 N -1.34 1.17 0.02 7.82 0.00 -1.26 0.22 120.51 127.14 1q56 n ALA 158 Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 53.44 54.29 1q56 n ALA 158 Cb 0.09 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1q56 n ALA 158 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1q56 h TYR 159 N 0.00 0.11 0.00 0.00 -1.99 -1.87 -1.24 116.97 111.98 1q56 h TYR 159 Ca 0.86 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 61.51 1q56 h TYR 159 Cb 2.49 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.22 1q56 h TYR 159 CO -0.01 1.11 0.00 0.43 -0.00 0.00 0.00 178.16 179.69 1q56 n SER 160 N -3.24 0.14 -3.96 3.88 7.64 0.59 -3.93 113.62 114.73 1q56 n SER 160 Ca -0.12 0.55 -0.31 0.00 1.01 0.00 0.00 58.87 60.00 1q56 n SER 160 Cb 1.02 -0.57 -0.15 0.00 -1.01 0.00 0.00 64.21 63.50 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1q56 s THR 161 N -3.10 2.05 0.71 0.44 2.01 0.44 -5.09 115.64 113.09 1q56 s THR 161 Ca 0.03 -2.27 -0.09 0.00 0.31 0.00 0.00 61.69 59.67 1q56 s THR 161 Cb 0.05 -2.51 0.14 0.00 0.01 0.00 0.00 72.50 70.19 1q56 s THR 161 CO 0.17 -0.64 0.31 0.61 -0.69 0.00 0.00 174.62 174.38 1q56 n GLY 162 N 4.24 -1.92 3.84 4.40 0.00 -1.21 -3.22 105.19 111.32 1q56 n GLY 162 Ca 0.03 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1q56 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q56 s PHE 163 N -1.60 3.59 -0.57 1.61 5.36 -1.18 -4.31 117.98 120.88 1q56 s PHE 163 Ca 0.24 1.15 0.04 0.00 -0.96 0.00 0.00 56.93 57.39 1q56 s PHE 163 Cb -0.04 -2.44 0.15 0.00 -0.34 0.00 0.00 43.02 40.35 1q56 s PHE 163 CO 0.20 0.37 0.35 0.42 -1.46 0.00 0.00 175.22 175.10 1q56 s ILE 164 N -1.54 2.31 0.00 3.12 1.01 -1.26 -0.89 121.20 123.95 1q56 s ILE 164 Ca 0.41 -3.50 0.00 0.00 0.00 0.00 0.00 60.65 57.56 1q56 s ILE 164 Cb -0.15 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1q56 s ILE 164 CO 0.20 -0.93 0.00 0.61 0.00 0.00 0.00 174.94 174.81 1q56 n GLY 165 N 2.72 1.78 3.16 6.18 0.00 -1.13 -2.62 105.19 115.28 1q56 n GLY 165 Ca 0.13 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1q56 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 s ILE 167 N -2.19 0.60 0.17 0.00 1.01 -1.06 0.25 121.20 119.99 1q56 s ILE 167 Ca 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 1q56 s ILE 167 Cb -0.04 -0.58 0.01 0.00 0.01 0.00 0.00 42.46 41.85 1q56 s ILE 167 CO 0.00 -0.09 0.37 -0.60 0.00 0.00 0.00 174.94 174.62 1q56 s ARG 168 N -0.88 1.22 -0.66 2.79 3.52 -0.32 -3.10 118.95 121.52 1q56 s ARG 168 Ca -0.03 -1.03 -0.15 0.00 -0.13 0.00 0.00 55.73 54.39 1q56 s ARG 168 Cb -0.06 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1q56 s ARG 168 CO 0.00 -0.48 0.63 -0.25 -0.81 0.00 0.00 175.30 174.40 1q56 n ASP 169 N -0.25 -5.57 -4.01 -2.12 8.00 -1.26 -1.88 116.55 109.46 1q56 n ASP 169 Ca -0.09 -0.50 -0.28 0.00 0.71 0.00 0.00 54.79 54.64 1q56 n ASP 169 Cb 0.63 -2.26 -0.17 0.00 -0.02 0.00 0.00 41.12 39.30 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q56 s VAL 170 N -2.43 1.34 0.13 2.53 -7.23 -1.26 -3.61 120.40 109.86 1q56 s VAL 170 Ca 0.15 -0.53 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1q56 s VAL 170 Cb -0.02 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1q56 s VAL 170 CO 0.87 0.41 -0.10 -0.63 -0.31 0.00 0.00 175.10 175.34 1q56 s ILE 171 N 1.17 1.10 -0.15 -0.62 1.01 0.31 -3.11 121.20 120.92 1q56 s ILE 171 Ca -0.04 -1.91 -0.02 0.00 0.00 0.00 0.00 60.65 58.68 1q56 s ILE 171 Cb -0.14 -1.68 0.05 0.00 0.01 0.00 0.00 42.46 40.69 1q56 s ILE 171 CO -0.04 -0.67 0.01 -0.69 0.00 0.00 0.00 174.94 173.55 1q56 s VAL 172 N -2.99 0.55 -1.38 2.92 1.01 -1.16 -1.32 120.40 118.03 1q56 s VAL 172 Ca 0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1q56 s VAL 172 Cb 0.01 -0.90 0.08 0.00 0.00 0.00 0.00 36.38 35.57 1q56 s VAL 172 CO 0.00 -0.00 0.59 0.47 0.00 0.00 0.00 175.10 176.16 1q56 n ASP 173 N 5.06 -3.90 -1.88 3.32 9.92 -1.10 0.93 116.55 128.90 1q56 n ASP 173 Ca -0.09 -0.51 -0.14 0.00 -0.53 0.00 0.00 54.79 53.53 1q56 n ASP 173 Cb 0.48 -3.21 0.02 0.00 -0.64 0.00 0.00 41.12 37.77 1q56 n ASP 173 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1q56 n ARG 174 N -3.93 -2.71 -3.41 -1.24 3.00 -1.26 -5.02 116.66 102.09 1q56 n ARG 174 Ca -0.00 0.58 -0.20 0.00 -0.01 0.00 0.00 57.85 58.23 1q56 n ARG 174 Cb 0.54 -4.75 -0.02 0.00 0.00 0.00 0.00 32.46 28.23 1q56 n ARG 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1q56 n GLN 175 N -2.70 1.04 0.00 5.56 1.13 0.27 -4.92 117.38 117.76 1q56 n GLN 175 Ca -0.09 -2.41 0.00 0.00 -1.94 0.00 0.00 57.00 52.57 1q56 n GLN 175 Cb 0.58 0.44 0.00 0.00 0.11 0.00 0.00 30.24 31.37 1q56 n GLN 175 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1q56 n GLU 176 N -1.14 0.00 0.00 -1.09 2.13 -1.26 -2.99 120.64 116.29 1q56 n GLU 176 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1q56 n GLU 176 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1q56 n GLU 176 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1q56 n LEU 177 N 0.00 0.00 -4.56 4.31 4.77 -1.18 -4.53 117.00 115.81 1q56 n LEU 177 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1q56 n LEU 177 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1q56 n LEU 177 CO 0.00 0.00 1.54 1.41 -1.33 0.00 0.00 177.39 179.01 1q56 n HIS 178 N 0.00 2.77 0.17 -1.77 8.25 -1.26 -4.75 115.22 118.63 1q56 n HIS 178 Ca 0.00 -1.52 -0.15 0.00 -0.26 0.00 0.00 57.72 55.79 1q56 n HIS 178 Cb 0.00 -2.61 -0.09 0.00 1.12 0.00 0.00 29.99 28.42 1q56 n HIS 178 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1q56 h LEU 179 N 17.50 -1.34 -1.61 2.41 4.07 -1.94 -1.14 115.31 133.25 1q56 h LEU 179 Ca 0.23 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1q56 h LEU 179 Cb 0.93 0.47 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1q56 h LEU 179 CO 1.25 -0.54 0.32 0.58 -1.08 0.00 0.00 178.44 178.98 1q56 h VAL 180 N -0.76 0.00 0.21 1.22 2.07 -1.93 1.93 116.25 118.98 1q56 h VAL 180 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1q56 h VAL 180 Cb 0.72 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1q56 h VAL 180 CO -0.17 0.00 -0.10 -0.33 0.02 0.00 0.00 177.57 176.99 1q56 h GLU 181 N 0.00 -0.27 0.00 1.57 5.08 -1.58 -2.86 114.58 116.51 1q56 h GLU 181 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1q56 h GLU 181 Cb 0.65 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1q56 h GLU 181 CO 0.00 0.06 -1.45 -0.25 -1.00 0.00 0.00 179.01 176.36 1q56 n ASP 182 N -4.96 0.43 0.12 1.42 9.92 -0.85 -4.01 116.55 118.62 1q56 n ASP 182 Ca -0.07 0.01 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 1q56 n ASP 182 Cb 0.23 1.24 0.12 0.00 -0.64 0.00 0.00 41.12 42.07 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 h ALA 183 N 2.16 0.87 0.00 2.24 0.00 0.29 -2.60 119.26 122.22 1q56 h ALA 183 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1q56 h ALA 183 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1q56 h ALA 183 CO 0.00 0.85 0.00 1.28 0.00 0.00 0.00 179.25 181.38 1q56 n LEU 184 N -3.72 0.00 -0.22 0.00 7.99 -1.08 -2.88 117.00 117.09 1q56 n LEU 184 Ca -0.01 0.44 0.31 0.00 -0.01 0.00 0.00 56.01 56.74 1q56 n LEU 184 Cb 0.67 -0.44 0.59 0.00 -0.11 0.00 0.00 43.42 44.14 1q56 n LEU 184 CO 0.43 -0.33 1.28 -1.13 -1.51 0.00 0.00 177.39 176.13 1q56 h ASN 185 N 0.00 0.00 -3.65 -1.43 -0.00 -1.67 -3.36 115.58 105.46 1q56 h ASN 185 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 56.30 55.63 1q56 h ASN 185 Cb 0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 38.32 38.26 1q56 h ASN 185 CO 0.00 0.00 -0.76 0.21 -0.00 0.00 0.00 177.43 176.88 1q56 s ASN 186 N -4.10 4.23 0.13 1.15 3.84 -1.14 -5.02 114.94 114.02 1q56 s ASN 186 Ca -0.04 -0.41 -0.02 0.00 0.21 0.00 0.00 52.86 52.60 1q56 s ASN 186 Cb 0.17 -0.76 -0.12 0.00 -0.55 0.00 0.00 41.25 39.99 1q56 s ASN 186 CO 0.58 0.20 1.28 1.55 -2.79 0.00 0.00 177.10 177.92 1q56 h PRO 187 N 3.83 0.32 0.00 0.43 0.13 -1.90 -3.25 132.00 131.56 1q56 h PRO 187 Ca -0.49 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 1q56 h PRO 187 Cb 1.17 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1q56 h PRO 187 CO 0.50 1.09 0.00 -2.37 -0.23 0.00 0.00 178.00 177.00 1q56 n THR 188 N -3.67 0.00 -1.74 1.56 5.66 -1.26 -4.76 114.28 110.07 1q56 n THR 188 Ca -0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.51 1q56 n THR 188 Cb 0.87 -0.65 -0.03 0.00 -1.55 0.00 0.00 70.33 68.97 1q56 n THR 188 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1q56 s ILE 189 N -2.00 3.15 0.27 1.09 -1.09 -1.23 -4.96 121.20 116.43 1q56 s ILE 189 Ca 0.06 0.18 0.12 0.00 -2.23 0.00 0.00 60.65 58.78 1q56 s ILE 189 Cb 0.03 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.72 1q56 s ILE 189 CO 0.05 -0.04 -0.20 -0.76 -1.23 0.00 0.00 174.94 172.76 1q56 s LEU 190 N 5.32 2.58 0.21 2.97 1.43 -1.26 -5.01 118.68 124.92 1q56 s LEU 190 Ca 0.88 -1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1q56 s LEU 190 Cb -0.38 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 1q56 s LEU 190 CO 0.37 0.03 0.47 -1.00 0.23 0.00 0.00 176.35 176.45 1q56 s HIS 191 N -2.50 3.46 0.31 0.29 3.76 -1.26 0.21 115.29 119.56 1q56 s HIS 191 Ca 0.29 0.64 -0.28 0.00 -0.15 0.00 0.00 55.06 55.56 1q56 s HIS 191 Cb -0.05 -2.09 -0.13 0.00 1.11 0.00 0.00 32.58 31.42 1q56 s HIS 191 CO 0.14 0.32 1.15 0.00 -0.85 0.00 0.00 174.74 175.50 1q56 s SER 193 N -0.42 0.96 -0.32 0.00 0.01 -1.26 -4.90 113.70 107.77 1q56 s SER 193 Ca 0.58 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.50 1q56 s SER 193 Cb -0.64 -0.03 0.19 0.00 0.21 0.00 0.00 66.02 65.75 1q56 s SER 193 CO 0.61 -0.07 0.64 0.00 0.41 0.00 0.00 173.24 174.83 1q56 s ALA 194 N -0.86 -2.55 0.00 1.44 0.00 -1.26 -5.11 121.76 113.41 1q56 s ALA 194 Ca -0.04 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1q56 s ALA 194 Cb -0.07 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1q56 s ALA 194 CO 0.00 -1.97 0.00 0.36 0.00 0.00 0.00 175.76 174.15