#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 -2.32 -1.31 1.61 7.64 -1.26 -5.00 113.62 112.99 1q56 n SER 2 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1q56 n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1q56 n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q56 n GLU 3 N -0.21 -2.68 -2.81 1.43 1.02 -1.26 -4.97 120.64 111.15 1q56 n GLU 3 Ca 0.00 2.05 0.01 0.00 -0.02 0.00 0.00 57.16 59.20 1q56 n GLU 3 Cb 0.00 -3.28 0.01 0.00 -0.02 0.00 0.00 31.44 28.15 1q56 n GLU 3 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1q56 s LYS 4 N -3.50 0.29 -0.27 3.49 2.47 -1.26 -5.12 119.74 115.85 1q56 s LYS 4 Ca 0.00 -0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 53.99 1q56 s LYS 4 Cb 0.00 0.03 -0.02 0.00 -1.46 0.00 0.00 37.83 36.38 1q56 s LYS 4 CO 0.00 -0.41 1.62 0.54 0.16 0.00 0.00 175.35 177.26 1q56 s VAL 5 N 1.79 3.69 -0.08 4.02 0.11 -1.26 -4.98 120.40 123.69 1q56 s VAL 5 Ca 0.16 0.75 0.02 0.00 -2.93 0.00 0.00 61.98 59.98 1q56 s VAL 5 Cb 0.03 -3.77 0.01 0.00 -1.53 0.00 0.00 36.38 31.12 1q56 s VAL 5 CO -0.13 -0.39 -0.13 -0.51 -3.33 0.00 0.00 175.10 170.61 1q56 s ILE 6 N 5.60 1.25 0.16 7.04 -1.16 -1.26 -5.13 121.20 127.70 1q56 s ILE 6 Ca 0.72 -0.53 -0.12 0.00 -0.51 0.00 0.00 60.65 60.21 1q56 s ILE 6 Cb -0.23 -1.14 -0.07 0.00 0.61 0.00 0.00 42.46 41.64 1q56 s ILE 6 CO 0.30 0.38 0.52 0.27 -2.81 0.00 0.00 174.94 173.61 1q56 s ILE 7 N 0.74 4.92 -0.13 2.00 -4.36 -1.26 -5.07 121.20 118.05 1q56 s ILE 7 Ca -0.13 0.64 -0.08 0.00 -0.26 0.00 0.00 60.65 60.83 1q56 s ILE 7 Cb -0.16 -3.68 -0.04 0.00 1.25 0.00 0.00 42.46 39.83 1q56 s ILE 7 CO 0.03 0.15 0.16 -1.83 0.24 0.00 0.00 174.94 173.69 1q56 s GLU 8 N -2.22 3.59 -0.45 0.37 4.04 -1.26 -5.06 118.70 117.72 1q56 s GLU 8 Ca 0.40 -0.11 0.02 0.00 0.04 0.00 0.00 54.97 55.33 1q56 s GLU 8 Cb -0.14 -3.23 0.13 0.00 0.02 0.00 0.00 34.13 30.92 1q56 s GLU 8 CO 0.20 0.69 0.23 -1.59 -1.84 0.00 0.00 175.26 172.95 1q56 s LYS 9 N -0.80 1.40 -0.08 -4.83 0.00 -1.26 -5.09 119.74 109.08 1q56 s LYS 9 Ca 0.15 -2.08 0.05 0.00 0.00 0.00 0.00 55.97 54.08 1q56 s LYS 9 Cb -0.12 -2.53 -0.00 0.00 0.00 0.00 0.00 37.83 35.18 1q56 s LYS 9 CO 0.04 -1.14 -0.24 0.00 0.00 0.00 0.00 175.35 174.00 1q56 s ALA 10 N 0.29 2.17 -1.46 0.59 0.00 -1.26 -5.03 121.76 117.06 1q56 s ALA 10 Ca 0.17 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1q56 s ALA 10 Cb -0.24 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1q56 s ALA 10 CO -0.01 0.35 2.64 0.00 0.00 0.00 0.00 175.76 178.74 1q56 n ALA 11 N 3.27 7.14 -2.31 0.00 0.00 -1.26 -4.93 120.51 122.42 1q56 n ALA 11 Ca -0.18 -3.83 -0.42 0.00 0.00 0.00 0.00 53.44 49.00 1q56 n ALA 11 Cb 0.53 -3.06 -0.02 0.00 0.00 0.00 0.00 19.45 16.89 1q56 n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q56 s GLY 12 N 1.22 0.96 -0.33 0.00 0.00 -1.26 -4.74 107.32 103.17 1q56 s GLY 12 Ca 0.61 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 45.13 1q56 s GLY 12 CO -0.08 2.86 1.29 1.34 0.00 0.00 0.00 173.10 178.51 1q56 n ASP 13 N 9.37 -1.48 -2.68 1.64 -0.08 -1.26 -5.01 116.55 117.04 1q56 n ASP 13 Ca 0.16 -2.13 -0.25 0.00 -1.51 0.00 0.00 54.79 51.07 1q56 n ASP 13 Cb 0.48 0.82 -0.01 0.00 2.34 0.00 0.00 41.12 44.76 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q56 n ALA 14 N -0.83 4.63 -2.47 -1.67 0.00 -1.26 -4.90 120.51 114.01 1q56 n ALA 14 Ca -0.11 -4.29 -0.40 0.00 0.00 0.00 0.00 53.44 48.64 1q56 n ALA 14 Cb 0.80 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 1q56 n ALA 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1q56 n GLU 15 N -0.33 2.86 -3.34 0.00 0.28 -1.26 -4.96 120.64 113.90 1q56 n GLU 15 Ca 0.33 -3.11 -0.38 0.00 -0.16 0.00 0.00 57.16 53.84 1q56 n GLU 15 Cb 0.59 -3.55 -0.06 0.00 1.43 0.00 0.00 31.44 29.85 1q56 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q56 s ALA 16 N 5.66 3.54 0.01 -1.84 0.00 -1.26 -4.62 121.76 123.26 1q56 s ALA 16 Ca 0.57 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1q56 s ALA 16 Cb 0.03 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 1q56 s ALA 16 CO 0.09 0.18 -0.19 0.42 0.00 0.00 0.00 175.76 176.27 1q56 s ILE 17 N -0.09 1.48 -0.15 0.00 -1.09 -0.94 -3.89 121.20 116.52 1q56 s ILE 17 Ca 0.26 -0.94 -0.10 0.00 -2.23 0.00 0.00 60.65 57.64 1q56 s ILE 17 Cb -0.16 -1.26 -0.05 0.00 -1.58 0.00 0.00 42.46 39.41 1q56 s ILE 17 CO 0.13 0.30 0.19 0.00 -1.23 0.00 0.00 174.94 174.33 1q56 s ALA 18 N -0.59 3.72 0.61 9.38 0.00 0.83 -2.77 121.76 132.94 1q56 s ALA 18 Ca 0.07 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1q56 s ALA 18 Cb -0.08 -2.18 0.08 0.00 0.00 0.00 0.00 23.12 20.94 1q56 s ALA 18 CO 0.00 0.30 0.84 -0.06 0.00 0.00 0.00 175.76 176.84 1q56 s PHE 19 N -0.11 1.89 0.00 0.00 0.40 0.11 -4.35 117.98 115.92 1q56 s PHE 19 Ca 0.13 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1q56 s PHE 19 Cb -0.12 -2.62 0.00 0.00 0.51 0.00 0.00 43.02 40.79 1q56 s PHE 19 CO 0.02 -1.22 0.24 -0.40 0.70 0.00 0.00 175.22 174.56 1q56 n ASP 20 N -2.43 0.04 0.00 1.36 5.75 -1.24 -4.07 116.55 115.96 1q56 n ASP 20 Ca 0.13 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 1q56 n ASP 20 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 21 N -0.01 2.67 0.00 6.12 0.00 -0.87 -4.76 105.19 108.34 1q56 n GLY 21 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.41 -1.49 1.61 0.63 -1.26 -1.17 116.66 115.39 1q56 n ARG 22 Ca 0.00 -0.05 -0.51 0.00 -0.92 0.00 0.00 57.85 56.36 1q56 n ARG 22 Cb 0.00 -1.47 -0.05 0.00 0.45 0.00 0.00 32.46 31.40 1q56 n ARG 22 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1q56 n THR 23 N -1.69 1.10 -3.68 5.15 -1.04 -1.26 -4.66 114.28 108.20 1q56 n THR 23 Ca 0.02 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.45 1q56 n THR 23 Cb 0.38 -0.28 -0.15 0.00 -1.82 0.00 0.00 70.33 68.46 1q56 n THR 23 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1q56 s TYR 24 N -0.49 1.40 -0.59 -1.42 1.13 -1.26 -3.92 117.35 112.20 1q56 s TYR 24 Ca 0.74 -1.59 -0.19 0.00 -1.41 0.00 0.00 57.07 54.62 1q56 s TYR 24 Cb -1.00 -1.53 0.10 0.00 -1.10 0.00 0.00 41.96 38.43 1q56 s TYR 24 CO 0.55 -0.86 0.72 -1.64 -2.51 0.00 0.00 175.55 171.82 1q56 s MET 25 N 1.63 3.06 -0.48 -3.49 -1.94 -1.18 -4.76 119.30 112.14 1q56 s MET 25 Ca 0.10 -1.22 -0.12 0.00 -1.71 0.00 0.00 55.69 52.74 1q56 s MET 25 Cb -0.18 -4.24 0.11 0.00 2.01 0.00 0.00 34.83 32.53 1q56 s MET 25 CO -0.25 -1.54 0.38 -2.00 -0.01 0.00 0.00 175.02 171.60 1q56 s GLU 26 N 2.83 2.73 -0.27 2.03 -6.30 -1.25 -1.55 118.70 116.91 1q56 s GLU 26 Ca 0.13 -1.62 -0.06 0.00 -2.50 0.00 0.00 54.97 50.91 1q56 s GLU 26 Cb -0.23 -4.04 0.00 0.00 0.00 0.00 0.00 34.13 29.86 1q56 s GLU 26 CO 0.07 -1.16 0.05 0.71 0.02 0.00 0.00 175.26 174.96 1q56 s TYR 27 N 1.49 3.11 -0.18 5.30 2.02 -0.71 -4.93 117.35 123.44 1q56 s TYR 27 Ca 0.04 -0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 55.82 1q56 s TYR 27 Cb -0.26 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1q56 s TYR 27 CO 0.02 -0.54 -0.13 -1.58 -1.57 0.00 0.00 175.55 171.75 1q56 s HIS 28 N 1.51 2.84 0.18 2.71 2.46 -1.26 -1.73 115.29 122.00 1q56 s HIS 28 Ca 0.04 -1.14 -0.18 0.00 0.47 0.00 0.00 55.06 54.24 1q56 s HIS 28 Cb -0.16 -1.97 0.04 0.00 -0.13 0.00 0.00 32.58 30.35 1q56 s HIS 28 CO 0.01 -0.57 0.53 -0.80 -2.47 0.00 0.00 174.74 171.44 1q56 s ASN 29 N 1.14 -0.31 0.73 9.88 0.01 -0.68 -5.02 114.94 120.69 1q56 s ASN 29 Ca 0.01 -0.38 -0.11 0.00 -0.71 0.00 0.00 52.86 51.68 1q56 s ASN 29 Cb -0.14 0.57 0.04 0.00 0.41 0.00 0.00 41.25 42.14 1q56 s ASN 29 CO -0.04 -1.02 1.10 0.00 -1.51 0.00 0.00 177.10 175.62 1q56 s ALA 30 N -3.84 2.87 0.00 0.60 0.00 -1.26 -4.60 121.76 115.53 1q56 s ALA 30 Ca 0.07 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1q56 s ALA 30 Cb -0.01 -2.91 0.11 0.00 0.00 0.00 0.00 23.12 20.32 1q56 s ALA 30 CO -0.06 -1.33 0.93 1.33 0.00 0.00 0.00 175.76 176.64 1q56 n VAL 31 N -3.07 0.00 -4.01 0.00 0.24 -1.26 -5.06 118.33 105.17 1q56 n VAL 31 Ca 0.07 -0.27 0.03 0.00 -2.04 0.00 0.00 64.34 62.14 1q56 n VAL 31 Cb 0.59 0.52 0.01 0.00 -1.47 0.00 0.00 33.84 33.49 1q56 n VAL 31 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1q56 n THR 32 N 0.13 0.00 -2.69 3.34 5.66 -1.26 -4.95 114.28 114.52 1q56 n THR 32 Ca -0.03 -0.06 -0.42 0.00 -3.05 0.00 0.00 64.05 60.49 1q56 n THR 32 Cb 0.78 0.41 -0.03 0.00 -1.55 0.00 0.00 70.33 69.93 1q56 n THR 32 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1q56 s LYS 33 N -2.01 3.40 -1.45 1.09 0.00 -1.26 -4.41 119.74 115.11 1q56 s LYS 33 Ca 0.24 -0.97 -0.18 0.00 0.00 0.00 0.00 55.97 55.06 1q56 s LYS 33 Cb -0.00 -4.76 0.18 0.00 0.00 0.00 0.00 37.83 33.25 1q56 s LYS 33 CO -0.01 -2.03 0.46 0.45 0.00 0.00 0.00 175.35 174.21 1q56 n SER 34 N 8.32 -1.43 -2.89 0.03 2.88 -1.26 -4.78 113.62 114.48 1q56 n SER 34 Ca 0.17 -0.94 -0.11 0.00 -1.33 0.00 0.00 58.87 56.65 1q56 n SER 34 Cb 0.49 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1q56 n SER 34 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1q56 n GLU 35 N -3.28 0.61 -1.69 -1.46 2.13 -1.26 -5.11 120.64 110.58 1q56 n GLU 35 Ca 0.09 -2.23 -0.42 0.00 0.66 0.00 0.00 57.16 55.26 1q56 n GLU 35 Cb 0.36 -1.46 -0.03 0.00 0.27 0.00 0.00 31.44 30.58 1q56 n GLU 35 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1q56 s LYS 36 N 0.43 3.81 0.00 5.31 3.01 -1.26 -4.83 119.74 126.22 1q56 s LYS 36 Ca 0.32 2.36 0.00 0.00 -1.01 0.00 0.00 55.97 57.64 1q56 s LYS 36 Cb 0.11 -4.21 0.00 0.00 -1.01 0.00 0.00 37.83 32.72 1q56 s LYS 36 CO -0.15 -1.32 0.00 0.00 0.51 0.00 0.00 175.35 174.39 1q56 n ALA 37 N 8.84 0.00 -3.69 5.17 0.00 -1.26 -4.03 120.51 125.55 1q56 n ALA 37 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1q56 n ALA 37 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 1q56 n ALA 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1q56 n LEU 38 N 0.00 0.00 0.00 0.00 7.94 -1.25 -5.05 117.00 118.64 1q56 n LEU 38 Ca 0.00 -0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 1q56 n LEU 38 Cb 0.00 0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1q56 n LEU 38 CO 0.00 -0.03 -0.04 0.00 -1.11 0.00 0.00 177.39 176.20 1q56 n GLN 39 N -0.07 0.19 -4.36 1.96 10.64 -1.26 -4.54 117.38 119.95 1q56 n GLN 39 Ca -0.01 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.87 1q56 n GLN 39 Cb 0.04 -0.54 -0.12 0.00 -0.86 0.00 0.00 30.24 28.75 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 -2.07 3.56 -0.12 2.61 1.04 -1.26 -0.92 113.70 116.55 1q56 s SER 40 Ca 0.00 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1q56 s SER 40 Cb 0.00 -0.36 0.04 0.00 0.10 0.00 0.00 66.02 65.79 1q56 s SER 40 CO 0.00 0.18 -0.01 0.20 0.98 0.00 0.00 173.24 174.59 1q56 s ASN 41 N -2.08 2.11 -0.45 7.02 0.01 -0.66 -4.95 114.94 115.94 1q56 s ASN 41 Ca 0.16 -0.35 -0.19 0.00 -0.71 0.00 0.00 52.86 51.78 1q56 s ASN 41 Cb -0.10 -0.59 0.03 0.00 0.41 0.00 0.00 41.25 41.00 1q56 s ASN 41 CO 0.08 -0.20 0.54 -1.00 -1.51 0.00 0.00 177.10 175.00 1q56 s HIS 42 N 1.87 3.11 -0.23 2.20 3.76 -1.26 -3.02 115.29 121.72 1q56 s HIS 42 Ca 0.03 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 1q56 s HIS 42 Cb -0.14 -3.19 0.01 0.00 1.11 0.00 0.00 32.58 30.37 1q56 s HIS 42 CO -0.07 -0.83 -0.06 -0.06 -0.85 0.00 0.00 174.74 172.87 1q56 s PHE 43 N 2.43 2.98 0.09 1.40 0.40 -1.16 -2.09 117.98 122.04 1q56 s PHE 43 Ca 0.15 -1.24 0.07 0.00 -0.60 0.00 0.00 56.93 55.31 1q56 s PHE 43 Cb -0.17 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 1q56 s PHE 43 CO 0.14 -0.65 -0.17 -1.21 0.70 0.00 0.00 175.22 174.04 1q56 s GLU 44 N 1.40 0.98 0.00 0.44 2.02 -0.34 -1.30 118.70 121.91 1q56 s GLU 44 Ca 0.04 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1q56 s GLU 44 Cb -0.15 -1.09 0.00 0.00 0.10 0.00 0.00 34.13 32.99 1q56 s GLU 44 CO -0.05 0.24 0.00 1.47 0.02 0.00 0.00 175.26 176.95 1q56 n LEU 45 N 1.09 0.00 -4.18 1.80 -0.00 -0.56 -1.24 117.00 113.91 1q56 n LEU 45 Ca -0.20 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.62 1q56 n LEU 45 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.84 1q56 n LEU 45 CO 0.23 0.00 -0.46 -0.44 -0.00 0.00 0.00 177.39 176.71 1q56 s SER 46 N 0.00 1.75 0.39 1.45 0.01 -0.70 -0.36 113.70 116.24 1q56 s SER 46 Ca 0.00 -0.60 0.04 0.00 1.31 0.00 0.00 55.95 56.70 1q56 s SER 46 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1q56 s SER 46 CO 0.00 -0.05 0.14 0.27 0.41 0.00 0.00 173.24 174.01 1q56 s ILE 47 N -1.21 0.56 -0.43 1.44 -4.36 -1.10 -0.65 121.20 115.45 1q56 s ILE 47 Ca -0.01 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 1q56 s ILE 47 Cb -0.10 -2.40 0.20 0.00 1.25 0.00 0.00 42.46 41.41 1q56 s ILE 47 CO 0.02 0.00 0.87 -0.75 0.24 0.00 0.00 174.94 175.33 1q56 s LYS 48 N -3.71 0.66 0.00 0.37 2.20 0.31 -1.36 119.74 118.21 1q56 s LYS 48 Ca 0.27 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1q56 s LYS 48 Cb 0.03 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1q56 s LYS 48 CO 0.16 -0.84 0.00 2.41 -0.36 0.00 0.00 175.35 176.71 1q56 n THR 49 N 3.09 0.00 -0.03 3.43 -1.04 -1.26 -3.06 114.28 115.40 1q56 n THR 49 Ca 0.14 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1q56 n THR 49 Cb 0.60 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.08 1q56 n THR 49 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1q56 n GLU 50 N 0.00 0.15 -3.80 -2.82 0.28 -1.26 0.11 120.64 113.30 1q56 n GLU 50 Ca 0.00 0.06 -0.30 0.00 -0.16 0.00 0.00 57.16 56.75 1q56 n GLU 50 Cb 0.00 -0.84 -0.06 0.00 1.43 0.00 0.00 31.44 31.96 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q56 n ALA 51 N -3.15 -1.08 0.39 -1.84 0.00 -1.26 -2.89 120.51 110.68 1q56 n ALA 51 Ca -0.13 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.24 1q56 n ALA 51 Cb 0.60 -1.63 0.17 0.00 0.00 0.00 0.00 19.45 18.59 1q56 n ALA 51 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1q56 h THR 52 N -0.74 0.00 -1.99 0.00 1.35 -1.90 -3.40 112.91 106.23 1q56 h THR 52 Ca -0.46 -0.72 0.08 0.00 -0.55 0.00 0.00 66.41 64.76 1q56 h THR 52 Cb 1.04 1.45 -0.20 0.00 -1.73 0.00 0.00 68.15 68.71 1q56 h THR 52 CO 0.65 0.00 -0.13 -1.58 -0.25 0.00 0.00 175.52 174.20 1q56 s GLN 53 N -3.21 0.58 0.00 4.72 2.00 -1.26 -0.35 119.66 122.14 1q56 s GLN 53 Ca 0.05 1.45 0.00 0.00 -2.00 0.00 0.00 55.36 54.86 1q56 s GLN 53 Cb 0.10 0.87 0.00 0.00 0.80 0.00 0.00 33.01 34.78 1q56 s GLN 53 CO 0.71 -0.21 0.00 0.41 -0.50 0.00 0.00 175.29 175.70 1q56 n GLY 54 N 5.45 3.45 3.72 2.59 0.00 -0.94 -4.59 105.19 114.86 1q56 n GLY 54 Ca -0.12 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1q56 n GLY 54 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1q56 s LEU 55 N 0.00 4.39 -0.07 0.99 0.05 -0.34 -1.54 118.68 122.15 1q56 s LEU 55 Ca 0.00 1.60 0.19 0.00 0.05 0.00 0.00 54.13 55.97 1q56 s LEU 55 Cb 0.00 -3.48 -0.24 0.00 -2.05 0.00 0.00 46.19 40.42 1q56 s LEU 55 CO 0.00 -0.19 0.41 -0.38 -0.55 0.00 0.00 176.35 175.64 1q56 n ILE 56 N 3.61 0.91 -3.73 1.48 -0.00 0.56 -1.45 119.36 120.74 1q56 n ILE 56 Ca 0.04 -0.70 -0.12 0.00 -0.00 0.00 0.00 62.75 61.96 1q56 n ILE 56 Cb 0.51 -0.40 -0.12 0.00 -0.00 0.00 0.00 39.64 39.63 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 -5.28 0.42 -0.14 1.39 0.20 0.17 0.27 118.68 115.72 1q56 s LEU 57 Ca -0.07 0.66 -0.04 0.00 0.69 0.00 0.00 54.13 55.37 1q56 s LEU 57 Cb 0.09 1.03 0.07 0.00 -0.43 0.00 0.00 46.19 46.95 1q56 s LEU 57 CO 0.85 -0.15 0.23 0.86 -0.29 0.00 0.00 176.35 177.85 1q56 s TRP 58 N 0.89 -0.34 0.05 5.38 -0.11 0.24 0.26 118.94 125.30 1q56 s TRP 58 Ca -0.06 0.72 0.01 0.00 1.22 0.00 0.00 56.10 57.99 1q56 s TRP 58 Cb -0.07 -0.16 -0.03 0.00 -1.50 0.00 0.00 33.47 31.71 1q56 s TRP 58 CO -0.06 -0.40 -0.06 0.45 -4.62 0.00 0.00 176.95 172.26 1q56 s SER 59 N 2.37 0.69 0.00 5.86 0.15 -0.73 -1.14 113.70 120.90 1q56 s SER 59 Ca 0.03 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1q56 s SER 59 Cb -0.13 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1q56 s SER 59 CO -0.09 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1q56 n GLY 60 N 1.06 2.51 0.00 9.45 0.00 -1.26 -3.22 105.19 113.74 1q56 n GLY 60 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.80 1.61 3.00 -1.26 0.05 118.16 119.77 1q56 n LYS 61 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1q56 n LYS 61 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1q56 n LYS 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1q56 s GLY 62 N 0.00 1.63 0.49 3.14 0.00 -1.26 -4.53 107.32 106.79 1q56 s GLY 62 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1q56 s GLY 62 CO 0.00 2.69 0.00 1.04 0.00 0.00 0.00 173.10 176.83 1q56 n LEU 63 N 3.29 -3.33 -2.80 0.66 4.77 -1.26 -3.54 117.00 114.79 1q56 n LEU 63 Ca 0.12 3.17 -0.16 0.00 -0.03 0.00 0.00 56.01 59.11 1q56 n LEU 63 Cb 0.37 -3.24 -0.05 0.00 -2.33 0.00 0.00 43.42 38.17 1q56 n LEU 63 CO 0.63 0.15 1.89 -1.84 -1.33 0.00 0.00 177.39 176.90 1q56 n GLU 64 N -0.49 1.72 0.00 3.23 0.28 -1.26 -2.91 120.64 121.22 1q56 n GLU 64 Ca 0.00 -1.11 0.00 0.00 -0.16 0.00 0.00 57.16 55.89 1q56 n GLU 64 Cb 0.00 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 30.68 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1q56 n ARG 65 N 3.62 0.00 -1.96 3.44 1.85 -1.26 -5.09 116.66 117.26 1q56 n ARG 65 Ca 0.37 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 57.06 1q56 n ARG 65 Cb 0.28 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.77 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 0.94 -4.81 2.89 3.41 -1.15 -5.07 113.62 109.83 1q56 n SER 66 Ca 0.00 -1.79 -0.38 0.00 -0.26 0.00 0.00 58.87 56.45 1q56 n SER 66 Cb 0.00 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 1q56 n SER 66 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1q56 s ASP 67 N -3.79 7.10 0.00 4.04 -4.77 -1.26 -4.82 116.67 113.16 1q56 s ASP 67 Ca 0.46 1.35 0.00 0.00 -3.30 0.00 0.00 52.55 51.05 1q56 s ASP 67 Cb -0.03 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.41 1q56 s ASP 67 CO 0.30 0.18 0.00 0.00 0.70 0.00 0.00 175.17 176.36 1q56 n TYR 68 N 1.34 0.00 -3.71 2.11 9.36 0.36 -4.63 117.16 121.99 1q56 n TYR 68 Ca -0.07 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.05 1q56 n TYR 68 Cb 0.51 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.17 1q56 n TYR 68 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1q56 s ILE 69 N 0.00 0.05 0.27 2.97 2.07 -1.20 -1.84 121.20 123.53 1q56 s ILE 69 Ca 0.00 -0.75 -0.19 0.00 -1.41 0.00 0.00 60.65 58.30 1q56 s ILE 69 Cb 0.00 -1.41 0.01 0.00 0.13 0.00 0.00 42.46 41.19 1q56 s ILE 69 CO 0.00 -0.23 0.65 0.00 -1.91 0.00 0.00 174.94 173.45 1q56 s ALA 70 N -3.85 -0.94 -0.10 1.50 0.00 0.80 -1.78 121.76 117.40 1q56 s ALA 70 Ca 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1q56 s ALA 70 Cb 0.01 0.91 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1q56 s ALA 70 CO -0.07 -0.99 0.21 -0.51 0.00 0.00 0.00 175.76 174.40 1q56 s LEU 71 N -2.95 0.24 0.28 0.00 1.43 0.72 -1.80 118.68 116.59 1q56 s LEU 71 Ca 0.14 0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 1q56 s LEU 71 Cb -0.05 0.54 0.01 0.00 0.03 0.00 0.00 46.19 46.72 1q56 s LEU 71 CO 0.08 -0.19 0.53 0.00 0.23 0.00 0.00 176.35 176.99 1q56 s ALA 72 N 1.70 -0.20 0.05 4.21 0.00 -1.17 0.21 121.76 126.55 1q56 s ALA 72 Ca -0.04 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1q56 s ALA 72 Cb -0.11 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 1q56 s ALA 72 CO -0.07 -0.87 -0.17 0.42 0.00 0.00 0.00 175.76 175.06 1q56 s ILE 73 N -3.67 1.39 -0.05 0.00 1.01 -0.59 0.25 121.20 119.53 1q56 s ILE 73 Ca 0.22 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1q56 s ILE 73 Cb -0.02 -1.24 0.04 0.00 0.01 0.00 0.00 42.46 41.26 1q56 s ILE 73 CO 0.11 0.07 0.10 -0.69 0.00 0.00 0.00 174.94 174.52 1q56 s VAL 74 N -0.88 -0.14 0.00 2.92 1.01 -0.16 -2.22 120.40 120.93 1q56 s VAL 74 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1q56 s VAL 74 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1q56 s VAL 74 CO 0.02 0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.73 1q56 n ASP 75 N 5.01 0.00 0.00 3.32 8.00 0.53 -3.08 116.55 130.33 1q56 n ASP 75 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1q56 n ASP 75 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.00 0.32 2.95 0.44 0.00 -0.48 -4.96 105.19 101.45 1q56 n GLY 76 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.26 0.76 0.00 1.61 0.40 -1.18 -3.06 117.98 115.25 1q56 s PHE 77 Ca 0.00 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1q56 s PHE 77 Cb 0.00 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.94 1q56 s PHE 77 CO 0.00 -0.12 0.00 1.55 0.70 0.00 0.00 175.22 177.35 1q56 n VAL 78 N 3.53 0.00 -3.06 -0.44 3.14 -1.26 -0.98 118.33 119.26 1q56 n VAL 78 Ca -0.20 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.22 1q56 n VAL 78 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1q56 n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q56 s GLN 79 N -2.16 0.16 -0.79 1.45 -2.07 0.68 -2.70 119.66 114.24 1q56 s GLN 79 Ca 0.00 0.09 -0.26 0.00 -1.82 0.00 0.00 55.36 53.37 1q56 s GLN 79 Cb 0.00 0.06 -0.11 0.00 -1.09 0.00 0.00 33.01 31.86 1q56 s GLN 79 CO 0.00 -0.29 2.31 1.41 -1.32 0.00 0.00 175.29 177.41 1q56 s MET 80 N 2.69 1.83 -0.45 9.60 -2.45 -1.19 -3.05 119.30 126.29 1q56 s MET 80 Ca 0.24 0.40 -0.19 0.00 -1.25 0.00 0.00 55.69 54.90 1q56 s MET 80 Cb -0.01 -4.82 0.03 0.00 1.25 0.00 0.00 34.83 31.29 1q56 s MET 80 CO -0.21 -4.14 0.53 1.41 1.05 0.00 0.00 175.02 173.66 1q56 s MET 81 N 8.46 3.14 -0.02 4.11 0.00 -0.75 -2.96 119.30 131.28 1q56 s MET 81 Ca 0.88 -0.71 0.05 0.00 0.00 0.00 0.00 55.69 55.91 1q56 s MET 81 Cb -0.12 -4.00 -0.01 0.00 0.00 0.00 0.00 34.83 30.70 1q56 s MET 81 CO 0.08 -0.99 -0.18 1.52 0.00 0.00 0.00 175.02 175.45 1q56 s TYR 82 N 2.41 1.69 -0.34 4.11 -0.85 -1.15 -0.14 117.35 123.08 1q56 s TYR 82 Ca 0.15 -0.37 -0.01 0.00 -0.52 0.00 0.00 57.07 56.32 1q56 s TYR 82 Cb -0.17 -1.10 0.12 0.00 0.38 0.00 0.00 41.96 41.19 1q56 s TYR 82 CO 0.14 -0.07 0.17 0.34 -1.52 0.00 0.00 175.55 174.61 1q56 s ASP 83 N -0.29 3.47 0.00 -0.18 -1.08 -0.76 -1.92 116.67 115.89 1q56 s ASP 83 Ca 0.04 -1.89 0.21 0.00 -0.52 0.00 0.00 52.55 50.39 1q56 s ASP 83 Cb -0.08 -0.59 0.30 0.00 -1.46 0.00 0.00 42.92 41.09 1q56 s ASP 83 CO 0.00 -0.36 1.27 0.00 0.52 0.00 0.00 175.17 176.60 1q56 n LEU 84 N 4.48 3.07 0.00 -1.34 -0.00 -1.24 0.14 117.00 122.10 1q56 n LEU 84 Ca 0.03 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.72 1q56 n LEU 84 Cb 0.39 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1q56 n LEU 84 CO 0.12 0.62 -0.09 0.61 -0.00 0.00 0.00 177.39 178.66 1q56 n GLY 85 N 1.26 0.00 0.00 1.47 0.00 -1.26 -4.79 105.19 101.86 1q56 n GLY 85 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.95 0.00 -4.15 1.61 2.88 -1.26 -5.10 113.62 105.64 1q56 n SER 86 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1q56 n SER 86 Cb 0.09 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.00 3.05 0.38 -1.46 1.02 -1.26 -5.07 119.74 116.40 1q56 s LYS 87 Ca 0.00 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 54.95 1q56 s LYS 87 Cb 0.00 -2.63 -0.10 0.00 -0.52 0.00 0.00 37.83 34.59 1q56 s LYS 87 CO 0.00 -0.19 0.98 -1.25 -0.92 0.00 0.00 175.35 173.97 1q56 s PRO 88 N 1.28 4.33 -0.20 -1.68 0.04 -1.26 -4.54 135.00 132.97 1q56 s PRO 88 Ca 0.04 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 1q56 s PRO 88 Cb -0.13 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1q56 s PRO 88 CO -0.11 0.04 -0.07 0.54 0.04 0.00 0.00 177.00 177.44 1q56 s VAL 89 N -1.80 3.21 -0.38 -0.36 0.11 -0.81 -4.84 120.40 115.54 1q56 s VAL 89 Ca 0.56 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 1q56 s VAL 89 Cb -0.17 -2.43 0.02 0.00 -1.53 0.00 0.00 36.38 32.26 1q56 s VAL 89 CO 0.22 0.45 0.23 0.54 -3.33 0.00 0.00 175.10 173.22 1q56 s VAL 90 N 1.25 4.88 -0.96 2.04 0.11 -1.26 -2.93 120.40 123.53 1q56 s VAL 90 Ca 0.03 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1q56 s VAL 90 Cb -0.14 -3.67 0.29 0.00 -1.53 0.00 0.00 36.38 31.33 1q56 s VAL 90 CO -0.03 -0.20 1.28 0.18 -3.33 0.00 0.00 175.10 173.00 1q56 n LEU 91 N 5.06 5.70 -4.74 2.54 4.77 -1.16 -4.84 117.00 124.33 1q56 n LEU 91 Ca -0.12 -5.28 -0.37 0.00 -0.03 0.00 0.00 56.01 50.20 1q56 n LEU 91 Cb 0.47 -1.10 0.06 0.00 -2.33 0.00 0.00 43.42 40.52 1q56 n LEU 91 CO 0.38 1.80 0.93 -0.13 -1.33 0.00 0.00 177.39 179.03 1q56 s ARG 92 N -2.72 2.73 0.58 3.23 0.52 -1.26 -3.14 118.95 118.90 1q56 s ARG 92 Ca 0.34 2.11 -0.19 0.00 -0.52 0.00 0.00 55.73 57.47 1q56 s ARG 92 Cb 0.08 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1q56 s ARG 92 CO 0.08 -1.47 1.16 0.45 0.02 0.00 0.00 175.30 175.54 1q56 s SER 93 N -1.27 5.38 -0.31 0.23 0.15 -1.10 -4.77 113.70 112.01 1q56 s SER 93 Ca 0.79 2.26 0.10 0.00 0.70 0.00 0.00 55.95 59.80 1q56 s SER 93 Cb -0.38 -2.59 0.59 0.00 -1.71 0.00 0.00 66.02 61.93 1q56 s SER 93 CO 0.42 -1.46 1.61 1.07 1.20 0.00 0.00 173.24 176.08 1q56 n THR 94 N -1.59 2.71 -4.02 6.45 5.66 -1.26 -4.73 114.28 117.50 1q56 n THR 94 Ca 0.12 -2.20 -0.08 0.00 -3.05 0.00 0.00 64.05 58.84 1q56 n THR 94 Cb 0.50 -0.34 -0.11 0.00 -1.55 0.00 0.00 70.33 68.83 1q56 n THR 94 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1q56 s VAL 95 N -3.13 0.16 0.05 1.08 1.01 -1.26 -5.05 120.40 113.26 1q56 s VAL 95 Ca 0.49 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 1q56 s VAL 95 Cb 0.42 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 1q56 s VAL 95 CO 0.06 -0.66 1.61 -2.16 0.00 0.00 0.00 175.10 173.96 1q56 s PRO 96 N -2.27 4.21 0.00 2.72 0.04 -1.26 -4.77 135.00 133.66 1q56 s PRO 96 Ca -0.08 2.26 0.11 0.00 0.04 0.00 0.00 61.00 63.33 1q56 s PRO 96 Cb -0.04 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.79 1q56 s PRO 96 CO -0.04 -0.72 0.54 1.51 0.04 0.00 0.00 177.00 178.33 1q56 n ILE 97 N 4.77 0.00 -2.04 0.56 0.13 -1.17 -4.65 119.36 116.96 1q56 n ILE 97 Ca 0.16 -0.28 -0.38 0.00 -1.10 0.00 0.00 62.75 61.15 1q56 n ILE 97 Cb 0.41 1.04 -0.00 0.00 -0.84 0.00 0.00 39.64 40.25 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 -0.95 7.51 -0.34 9.51 6.94 -1.14 -4.43 115.26 132.35 1q56 n ASN 98 Ca 0.03 -3.36 0.03 0.00 -0.02 0.00 0.00 54.58 51.26 1q56 n ASN 98 Cb 0.19 -1.26 0.07 0.00 -2.36 0.00 0.00 39.78 36.43 1q56 n ASN 98 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1q56 n THR 99 N 0.87 0.70 -1.06 5.53 -1.04 -1.14 -4.75 114.28 113.39 1q56 n THR 99 Ca 0.55 -0.85 -0.02 0.00 -2.04 0.00 0.00 64.05 61.69 1q56 n THR 99 Cb 0.31 0.69 -0.01 0.00 -1.82 0.00 0.00 70.33 69.50 1q56 n THR 99 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1q56 n ASN 100 N 0.17 -5.88 -4.88 8.00 4.13 0.31 -4.82 115.26 112.29 1q56 n ASN 100 Ca 0.06 0.05 -0.21 0.00 1.68 0.00 0.00 54.58 56.16 1q56 n ASN 100 Cb 0.30 -3.55 -0.03 0.00 -1.54 0.00 0.00 39.78 34.96 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 -1.19 3.05 -0.95 3.10 3.76 -1.26 -4.28 115.29 117.53 1q56 s HIS 101 Ca 0.00 -0.20 -0.24 0.00 -0.15 0.00 0.00 55.06 54.47 1q56 s HIS 101 Cb 0.00 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 32.03 1q56 s HIS 101 CO 0.00 0.28 1.51 -1.58 -0.85 0.00 0.00 174.74 174.10 1q56 s TRP 102 N -2.20 2.35 0.63 1.40 0.23 -1.24 -3.65 118.94 116.46 1q56 s TRP 102 Ca 0.39 -0.44 -0.05 0.00 -2.03 0.00 0.00 56.10 53.96 1q56 s TRP 102 Cb -0.07 -4.57 0.03 0.00 0.03 0.00 0.00 33.47 28.89 1q56 s TRP 102 CO 0.27 -1.94 0.94 0.99 0.96 0.00 0.00 176.95 178.16 1q56 s THR 103 N 6.02 2.97 -0.07 2.01 2.01 -0.47 -4.87 115.64 123.25 1q56 s THR 103 Ca 0.49 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1q56 s THR 103 Cb -0.03 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1q56 s THR 103 CO -0.04 -0.22 -0.19 -2.28 -0.69 0.00 0.00 174.62 171.20 1q56 s HIS 104 N -3.07 2.01 0.02 4.92 2.46 -1.26 -2.73 115.29 117.63 1q56 s HIS 104 Ca 0.57 -0.70 0.06 0.00 0.47 0.00 0.00 55.06 55.45 1q56 s HIS 104 Cb -0.11 -1.36 -0.02 0.00 -0.13 0.00 0.00 32.58 30.96 1q56 s HIS 104 CO 0.44 -0.28 -0.18 0.42 -2.47 0.00 0.00 174.74 172.68 1q56 s ILE 105 N 0.25 1.41 0.36 0.89 1.01 0.52 0.22 121.20 125.85 1q56 s ILE 105 Ca -0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1q56 s ILE 105 Cb -0.15 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1q56 s ILE 105 CO 0.05 0.24 0.50 -0.75 0.00 0.00 0.00 174.94 174.97 1q56 s LYS 106 N -0.83 1.99 0.01 2.79 2.20 -0.58 -1.50 119.74 123.81 1q56 s LYS 106 Ca 0.06 -1.80 -0.28 0.00 -0.36 0.00 0.00 55.97 53.58 1q56 s LYS 106 Cb -0.08 0.45 0.10 0.00 -1.51 0.00 0.00 37.83 36.79 1q56 s LYS 106 CO 0.01 -0.83 0.82 0.00 -0.36 0.00 0.00 175.35 174.98 1q56 s ALA 107 N -2.89 -1.78 -0.25 3.13 0.00 -0.42 0.24 121.76 119.79 1q56 s ALA 107 Ca 0.30 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.24 1q56 s ALA 107 Cb -0.01 0.32 0.08 0.00 0.00 0.00 0.00 23.12 23.52 1q56 s ALA 107 CO 0.21 -0.62 0.09 0.71 0.00 0.00 0.00 175.76 176.15 1q56 s TYR 108 N -2.79 0.89 -0.15 0.00 2.02 -0.79 -2.99 117.35 113.54 1q56 s TYR 108 Ca 0.02 -1.02 -0.06 0.00 -0.37 0.00 0.00 57.07 55.63 1q56 s TYR 108 Cb -0.01 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1q56 s TYR 108 CO -0.07 -0.73 0.08 0.50 -1.57 0.00 0.00 175.55 173.76 1q56 s ARG 109 N 1.90 3.65 -0.50 -0.62 3.00 -1.17 -1.78 118.95 123.44 1q56 s ARG 109 Ca 0.05 -0.29 0.03 0.00 -1.00 0.00 0.00 55.73 54.53 1q56 s ARG 109 Cb -0.17 -3.14 0.15 0.00 0.00 0.00 0.00 34.95 31.80 1q56 s ARG 109 CO -0.21 0.50 0.33 0.08 0.00 0.00 0.00 175.30 176.00 1q56 s VAL 110 N -0.27 1.43 0.00 7.11 1.01 -0.37 -1.66 120.40 127.65 1q56 s VAL 110 Ca 0.09 -3.00 0.00 0.00 0.00 0.00 0.00 61.98 59.07 1q56 s VAL 110 Cb -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1q56 s VAL 110 CO 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 175.10 174.09 1q56 n GLN 111 N 2.95 0.00 0.00 2.72 6.02 -0.10 -3.21 117.38 125.77 1q56 n GLN 111 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1q56 n GLN 111 Cb 0.39 -3.28 0.00 0.00 1.02 0.00 0.00 30.24 28.37 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 -1.15 0.00 -3.83 -1.09 0.00 -1.26 -4.58 116.66 104.75 1q56 n ARG 112 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1q56 n ARG 112 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 32.33 1q56 n ARG 112 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1q56 s GLU 113 N -0.02 3.10 0.07 2.89 -1.05 -1.20 0.20 118.70 122.69 1q56 s GLU 113 Ca 0.00 -0.83 0.02 0.00 -0.15 0.00 0.00 54.97 54.01 1q56 s GLU 113 Cb 0.00 -3.23 -0.04 0.00 -0.44 0.00 0.00 34.13 30.42 1q56 s GLU 113 CO 0.00 -0.38 0.12 0.20 0.95 0.00 0.00 175.26 176.15 1q56 s GLY 114 N 1.46 2.08 0.10 -3.83 0.00 0.22 -1.24 107.32 106.12 1q56 s GLY 114 Ca 0.03 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.84 1q56 s GLY 114 CO 0.00 -0.93 -0.11 -0.45 0.00 0.00 0.00 173.10 171.62 1q56 s SER 115 N -2.41 1.56 0.05 1.64 0.15 -0.73 -0.22 113.70 113.73 1q56 s SER 115 Ca 0.31 -0.83 0.08 0.00 0.70 0.00 0.00 55.95 56.21 1q56 s SER 115 Cb -0.12 -0.00 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 1q56 s SER 115 CO 0.24 -0.25 -0.22 -0.22 1.20 0.00 0.00 173.24 173.99 1q56 s LEU 116 N -2.50 2.17 -0.67 3.45 1.98 -0.44 -1.88 118.68 120.79 1q56 s LEU 116 Ca 0.07 -0.54 0.05 0.00 -2.89 0.00 0.00 54.13 50.82 1q56 s LEU 116 Cb -0.03 -1.04 0.16 0.00 0.66 0.00 0.00 46.19 45.95 1q56 s LEU 116 CO 0.00 0.18 0.46 -1.58 -1.89 0.00 0.00 176.35 173.52 1q56 s GLN 117 N -1.21 2.33 -1.20 1.98 2.00 0.67 -2.56 119.66 121.68 1q56 s GLN 117 Ca 0.08 -3.20 -0.22 0.00 -2.00 0.00 0.00 55.36 50.02 1q56 s GLN 117 Cb -0.09 -3.31 -0.08 0.00 0.80 0.00 0.00 33.01 30.33 1q56 s GLN 117 CO 0.02 -1.27 1.92 0.08 -0.50 0.00 0.00 175.29 175.54 1q56 s VAL 118 N -1.25 3.58 -0.68 1.34 1.01 -1.26 -1.52 120.40 121.62 1q56 s VAL 118 Ca 0.24 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1q56 s VAL 118 Cb -0.07 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 1q56 s VAL 118 CO -0.15 -1.04 0.59 0.61 0.00 0.00 0.00 175.10 175.11 1q56 n GLY 119 N 5.76 -0.42 1.98 4.51 0.00 0.59 -2.90 105.19 114.71 1q56 n GLY 119 Ca 0.45 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1q56 n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q56 n ASN 120 N -2.61 -0.71 -0.28 1.61 4.13 -1.24 -4.84 115.26 111.32 1q56 n ASN 120 Ca -0.05 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.57 1q56 n ASN 120 Cb 0.58 -0.77 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1q56 n GLU 121 N -1.91 2.88 -1.49 3.52 1.02 -1.14 -4.89 120.64 118.63 1q56 n GLU 121 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1q56 n GLU 121 Cb 0.36 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.34 -2.27 0.62 0.00 -1.26 -4.66 120.51 110.28 1q56 n ALA 122 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1q56 n ALA 122 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 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 8.80 4.36 -0.50 0.00 0.04 -1.26 -4.64 135.00 141.80 1q56 s PRO 123 Ca 1.35 1.95 -0.14 0.00 0.04 0.00 0.00 61.00 64.19 1q56 s PRO 123 Cb -1.22 -3.29 0.10 0.00 0.04 0.00 0.00 34.50 30.13 1q56 s PRO 123 CO 0.49 -0.37 0.42 0.42 0.04 0.00 0.00 177.00 178.01 1q56 s ILE 124 N 1.12 5.01 0.46 0.56 1.01 -1.06 -4.87 121.20 123.43 1q56 s ILE 124 Ca 0.62 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.95 1q56 s ILE 124 Cb -0.34 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 1q56 s ILE 124 CO 0.30 -0.73 0.20 0.42 0.00 0.00 0.00 174.94 175.13 1q56 s THR 125 N 1.57 1.95 -0.01 2.92 -4.23 -1.26 -1.33 115.64 115.26 1q56 s THR 125 Ca 0.04 -1.70 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1q56 s THR 125 Cb -0.27 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 70.93 1q56 s THR 125 CO 0.04 0.00 0.18 0.61 -0.54 0.00 0.00 174.62 174.91 1q56 n GLY 126 N -1.36 0.49 3.84 3.99 0.00 0.69 -4.96 105.19 107.88 1q56 n GLY 126 Ca -0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 1q56 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q56 s SER 127 N -1.39 -0.22 0.45 1.61 0.01 -1.26 0.68 113.70 113.59 1q56 s SER 127 Ca 0.04 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 56.66 1q56 s SER 127 Cb -0.00 0.74 0.05 0.00 0.21 0.00 0.00 66.02 67.01 1q56 s SER 127 CO -0.00 -1.38 0.39 -1.54 0.41 0.00 0.00 173.24 171.13 1q56 n SER 128 N -0.56 2.29 -4.56 2.44 3.41 0.53 -4.92 113.62 112.25 1q56 n SER 128 Ca -0.04 -2.48 -0.32 0.00 -0.26 0.00 0.00 58.87 55.76 1q56 n SER 128 Cb 0.59 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1q56 n SER 128 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1q56 s PRO 129 N -3.89 2.56 0.46 4.33 0.04 -1.26 -4.87 135.00 132.37 1q56 s PRO 129 Ca 0.30 0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.39 1q56 s PRO 129 Cb -0.02 -4.73 -0.11 0.00 0.04 0.00 0.00 34.50 29.68 1q56 s PRO 129 CO 0.19 -3.10 -0.23 1.28 0.04 0.00 0.00 177.00 175.18 1q56 n LEU 130 N 13.54 -3.13 0.00 -3.56 4.32 -1.26 -4.56 117.00 122.35 1q56 n LEU 130 Ca 0.31 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.67 1q56 n LEU 130 Cb 0.49 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1q56 n LEU 130 CO 0.65 -3.69 0.00 0.61 -1.22 0.00 0.00 177.39 173.74 1q56 n GLY 131 N 2.00 1.00 3.77 -0.72 0.00 -1.26 -5.12 105.19 104.86 1q56 n GLY 131 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.54 -0.01 4.61 0.00 -1.26 -4.95 121.76 123.69 1q56 s ALA 132 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 51.96 51.97 1q56 s ALA 132 Cb 0.00 -2.63 0.16 0.00 0.00 0.00 0.00 23.12 20.66 1q56 s ALA 132 CO 0.00 0.22 1.07 2.41 0.00 0.00 0.00 175.76 179.46 1q56 n THR 133 N 2.66 0.16 0.00 0.00 -1.04 -1.26 -4.82 114.28 109.98 1q56 n THR 133 Ca -0.09 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 1q56 n THR 133 Cb 0.51 0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 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 0.05 0.00 -3.54 -2.82 10.64 -1.26 -4.94 117.38 115.51 1q56 n GLN 134 Ca 0.03 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.05 1q56 n GLN 134 Cb 0.84 -0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.22 1q56 n GLN 134 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1q56 n LEU 135 N -2.42 -0.31 -4.53 2.61 -0.00 -1.26 -3.82 117.00 107.26 1q56 n LEU 135 Ca 0.00 -0.48 -0.31 0.00 -0.00 0.00 0.00 56.01 55.22 1q56 n LEU 135 Cb 0.00 -0.64 -0.09 0.00 -0.00 0.00 0.00 43.42 42.68 1q56 n LEU 135 CO 0.00 0.27 1.92 0.47 -0.00 0.00 0.00 177.39 180.05 1q56 n ASP 136 N -0.50 1.25 -1.52 1.45 8.00 -1.26 -4.76 116.55 119.21 1q56 n ASP 136 Ca -0.08 -0.55 -0.03 0.00 0.71 0.00 0.00 54.79 54.84 1q56 n ASP 136 Cb 0.25 -1.31 0.01 0.00 -0.02 0.00 0.00 41.12 40.05 1q56 n ASP 136 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1q56 n THR 137 N 7.74 0.00 0.00 -3.53 5.66 -1.26 -4.68 114.28 118.21 1q56 n THR 137 Ca 0.50 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1q56 n THR 137 Cb 0.35 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1q56 n THR 137 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1q56 n ASP 138 N -1.18 0.00 0.23 1.09 5.68 0.11 -4.74 116.55 117.75 1q56 n ASP 138 Ca -0.03 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.33 1q56 n ASP 138 Cb 0.17 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.50 1q56 n ASP 138 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1q56 h GLY 139 N 0.00 0.00 -2.17 6.12 0.00 -1.82 -3.41 103.07 101.80 1q56 h GLY 139 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1q56 h GLY 139 CO 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 176.54 175.91 1q56 s ALA 140 N -3.56 2.20 -0.10 3.60 0.00 -1.26 -1.69 121.76 120.96 1q56 s ALA 140 Ca -0.01 -1.97 -0.21 0.00 0.00 0.00 0.00 51.96 49.77 1q56 s ALA 140 Cb 0.04 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.79 1q56 s ALA 140 CO 0.11 -0.27 0.51 -1.17 0.00 0.00 0.00 175.76 174.94 1q56 s LEU 141 N -3.43 0.03 -0.33 0.00 2.96 -0.70 -4.14 118.68 113.07 1q56 s LEU 141 Ca 0.34 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1q56 s LEU 141 Cb 0.07 1.88 0.11 0.00 0.50 0.00 0.00 46.19 48.76 1q56 s LEU 141 CO 0.13 -0.39 0.15 0.26 -1.32 0.00 0.00 176.35 175.19 1q56 s TRP 142 N -0.64 0.98 -0.14 5.38 0.52 -0.29 -1.74 118.94 123.02 1q56 s TRP 142 Ca -0.07 -1.47 -0.01 0.00 0.02 0.00 0.00 56.10 54.57 1q56 s TRP 142 Cb -0.03 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 1q56 s TRP 142 CO 0.05 -0.84 -0.10 -1.17 0.02 0.00 0.00 176.95 174.91 1q56 s LEU 143 N 1.53 2.90 0.00 2.99 2.96 -0.59 -0.60 118.68 127.87 1q56 s LEU 143 Ca 0.12 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1q56 s LEU 143 Cb -0.19 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1q56 s LEU 143 CO -0.20 0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 1q56 n GLY 144 N 3.51 1.18 0.00 7.98 0.00 0.77 -3.09 105.19 115.54 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 -1.30 0.64 3.71 -0.02 0.00 -0.53 -2.78 105.19 104.91 1q56 n GLY 145 Ca 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 46.02 43.80 1q56 n GLY 145 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q56 s MET 146 N -0.49 0.99 -0.03 1.61 -1.94 -1.25 -4.68 119.30 113.51 1q56 s MET 146 Ca 0.00 -0.54 0.20 0.00 -1.71 0.00 0.00 55.69 53.64 1q56 s MET 146 Cb 0.00 0.34 0.62 0.00 2.01 0.00 0.00 34.83 37.80 1q56 s MET 146 CO 0.00 -0.45 1.52 -1.91 -0.01 0.00 0.00 175.02 174.17 1q56 n GLU 147 N -0.46 3.00 -0.23 2.03 0.00 -1.26 -4.45 120.64 119.27 1q56 n GLU 147 Ca -0.07 -2.65 0.00 0.00 0.00 0.00 0.00 57.16 54.44 1q56 n GLU 147 Cb 0.61 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 30.44 1q56 n GLU 147 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1q56 n ARG 148 N 1.34 0.00 -0.47 5.31 -4.01 -1.26 -4.99 116.66 112.58 1q56 n ARG 148 Ca 0.23 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.95 1q56 n ARG 148 Cb 0.67 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 30.04 1q56 n ARG 148 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1q56 n LEU 149 N 0.00 2.80 0.20 2.89 4.77 -1.26 -4.29 117.00 122.11 1q56 n LEU 149 Ca 0.00 -1.94 0.18 0.00 -0.03 0.00 0.00 56.01 54.22 1q56 n LEU 149 Cb 0.36 -0.74 0.83 0.00 -2.33 0.00 0.00 43.42 41.55 1q56 n LEU 149 CO 0.00 0.32 1.16 0.77 -1.33 0.00 0.00 177.39 178.30 1q56 h SER 150 N 5.53 0.00 0.00 -1.43 4.64 -1.94 -3.35 113.55 117.00 1q56 h SER 150 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1q56 h SER 150 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1q56 h SER 150 CO 0.76 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 177.27 1q56 n VAL 151 N -3.57 0.00 0.00 0.95 3.14 -1.26 -4.70 118.33 112.90 1q56 n VAL 151 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1q56 n VAL 151 Cb 0.41 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 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 -0.22 1.55 0.00 -1.26 -4.75 120.51 112.83 1q56 n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.34 0.00 -3.02 0.00 -0.00 -1.26 -4.18 115.22 105.42 1q56 n HIS 153 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 1q56 n HIS 153 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 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 0.00 0.56 -4.22 1.57 0.00 -1.26 -5.13 118.16 109.68 1q56 n LYS 154 Ca 0.00 -2.54 -0.17 0.00 -0.00 0.00 0.00 58.31 55.60 1q56 n LYS 154 Cb 0.00 -1.45 -0.07 0.00 -0.00 0.00 0.00 35.03 33.51 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1q56 s LEU 155 N -0.25 1.49 0.00 -5.58 2.34 -1.26 -5.17 118.68 110.25 1q56 s LEU 155 Ca 0.33 -1.65 0.00 0.00 0.06 0.00 0.00 54.13 52.86 1q56 s LEU 155 Cb 0.11 0.82 0.00 0.00 -0.56 0.00 0.00 46.19 46.57 1q56 s LEU 155 CO -0.15 -1.12 0.00 -0.81 -1.06 0.00 0.00 176.35 173.21 1q56 n PRO 156 N -0.58 0.44 0.02 1.48 -0.04 -1.26 -4.80 135.00 130.26 1q56 n PRO 156 Ca 0.05 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1q56 n PRO 156 Cb 0.62 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.49 0.01 -0.22 0.54 5.02 -1.26 -3.22 118.16 118.54 1q56 n LYS 157 Ca 0.00 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.70 1q56 n LYS 157 Cb 0.00 -1.77 0.19 0.00 -0.02 0.00 0.00 35.03 33.43 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q56 n ALA 158 N -1.31 0.33 0.05 7.82 0.00 -1.26 0.30 120.51 126.44 1q56 n ALA 158 Ca -0.00 0.68 -0.14 0.00 0.00 0.00 0.00 53.44 53.98 1q56 n ALA 158 Cb 0.23 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 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 0.32 0.00 0.00 -1.99 -1.90 -0.88 116.97 112.52 1q56 h TYR 159 Ca 0.39 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1q56 h TYR 159 Cb 0.80 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1q56 h TYR 159 CO -0.32 1.26 0.00 0.43 -0.00 0.00 0.00 178.16 179.53 1q56 n SER 160 N -3.39 0.00 -3.39 3.88 7.64 0.79 -4.12 113.62 115.03 1q56 n SER 160 Ca -0.13 -0.58 -0.27 0.00 1.01 0.00 0.00 58.87 58.90 1q56 n SER 160 Cb 1.02 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 64.04 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 -2.17 0.22 1.02 0.44 2.01 0.87 -5.01 115.64 113.01 1q56 s THR 161 Ca 0.34 -2.28 -0.21 0.00 0.31 0.00 0.00 61.69 59.84 1q56 s THR 161 Cb 0.17 -1.16 -0.10 0.00 0.01 0.00 0.00 72.50 71.42 1q56 s THR 161 CO 0.32 -1.12 -0.84 0.61 -0.69 0.00 0.00 174.62 172.90 1q56 n GLY 162 N 3.24 -3.31 3.77 4.40 0.00 -0.32 -3.88 105.19 109.10 1q56 n GLY 162 Ca 0.24 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.09 3.16 -0.71 1.61 5.36 -1.12 -4.09 117.98 120.10 1q56 s PHE 163 Ca 0.43 1.56 0.05 0.00 -0.96 0.00 0.00 56.93 58.01 1q56 s PHE 163 Cb -0.05 -3.42 0.17 0.00 -0.34 0.00 0.00 43.02 39.38 1q56 s PHE 163 CO 0.71 -1.27 0.51 -0.89 -1.46 0.00 0.00 175.22 172.83 1q56 n ILE 164 N 0.40 1.69 -2.59 3.12 5.41 -1.26 -2.05 119.36 124.08 1q56 n ILE 164 Ca 0.03 -4.89 0.00 0.00 1.00 0.00 0.00 62.75 58.89 1q56 n ILE 164 Cb 0.45 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.19 1q56 n ILE 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q56 n GLY 165 N 1.94 2.12 3.52 7.39 0.00 -1.26 -4.32 105.19 114.58 1q56 n GLY 165 Ca 0.20 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.04 0.53 0.13 0.00 1.01 -1.11 0.12 121.20 120.83 1q56 s ILE 167 Ca 0.17 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 1q56 s ILE 167 Cb -0.11 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 41.57 1q56 s ILE 167 CO 0.09 -0.53 0.56 -0.60 0.00 0.00 0.00 174.94 174.46 1q56 s ARG 168 N -2.16 1.21 -0.46 2.79 3.52 0.18 -3.12 118.95 120.91 1q56 s ARG 168 Ca -0.05 -0.46 -0.22 0.00 -0.13 0.00 0.00 55.73 54.87 1q56 s ARG 168 Cb -0.06 0.56 0.03 0.00 -1.56 0.00 0.00 34.95 33.92 1q56 s ARG 168 CO -0.01 -0.51 0.63 -0.25 -0.81 0.00 0.00 175.30 174.35 1q56 n ASP 169 N -0.23 -7.08 -4.04 -2.12 9.92 -1.26 -1.72 116.55 110.02 1q56 n ASP 169 Ca -0.17 0.24 -0.24 0.00 -0.53 0.00 0.00 54.79 54.09 1q56 n ASP 169 Cb 0.64 -4.09 -0.16 0.00 -0.64 0.00 0.00 41.12 36.86 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1q56 s VAL 170 N -2.28 1.14 -0.03 2.53 -7.23 -1.26 -3.39 120.40 109.88 1q56 s VAL 170 Ca 0.27 -0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 59.77 1q56 s VAL 170 Cb -0.05 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.89 1q56 s VAL 170 CO 0.81 0.35 0.36 -0.63 -0.31 0.00 0.00 175.10 175.68 1q56 s ILE 171 N 0.49 0.05 -0.21 -0.62 1.01 -0.38 -3.03 121.20 118.52 1q56 s ILE 171 Ca -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 1q56 s ILE 171 Cb -0.14 -0.65 0.07 0.00 0.01 0.00 0.00 42.46 41.74 1q56 s ILE 171 CO 0.03 -0.21 0.05 -0.69 0.00 0.00 0.00 174.94 174.12 1q56 s VAL 172 N -1.20 0.45 -1.54 2.92 1.01 -1.18 -1.19 120.40 119.67 1q56 s VAL 172 Ca -0.12 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1q56 s VAL 172 Cb -0.04 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.39 1q56 s VAL 172 CO 0.05 -0.28 0.80 0.47 0.00 0.00 0.00 175.10 176.13 1q56 n ASP 173 N 5.07 -3.17 -1.00 3.32 9.92 -0.89 0.40 116.55 130.20 1q56 n ASP 173 Ca -0.08 -0.89 -0.09 0.00 -0.53 0.00 0.00 54.79 53.20 1q56 n ASP 173 Cb 0.47 -3.42 -0.01 0.00 -0.64 0.00 0.00 41.12 37.51 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 -4.50 -0.72 -2.74 -1.24 3.00 -1.26 -5.03 116.66 104.17 1q56 n ARG 174 Ca -0.05 0.49 -0.17 0.00 -0.01 0.00 0.00 57.85 58.12 1q56 n ARG 174 Cb 0.56 -4.49 0.05 0.00 0.00 0.00 0.00 32.46 28.59 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 -1.99 0.68 0.00 5.56 6.02 0.16 -4.83 117.38 122.99 1q56 n GLN 175 Ca -0.11 -2.65 0.00 0.00 -0.01 0.00 0.00 57.00 54.23 1q56 n GLN 175 Cb 0.55 -0.15 0.00 0.00 1.02 0.00 0.00 30.24 31.65 1q56 n GLN 175 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1q56 n GLU 176 N -2.02 0.00 0.00 -1.09 -0.58 -1.26 -3.12 120.64 112.57 1q56 n GLU 176 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1q56 n GLU 176 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 1q56 n GLU 176 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1q56 n LEU 177 N 0.00 0.00 -4.38 -4.62 7.99 -1.17 -4.59 117.00 110.23 1q56 n LEU 177 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 56.01 55.55 1q56 n LEU 177 Cb 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.25 1q56 n LEU 177 CO 0.00 0.00 0.21 -1.00 -1.51 0.00 0.00 177.39 175.09 1q56 s HIS 178 N 0.00 3.14 0.00 -1.77 3.76 -1.26 -4.82 115.29 114.35 1q56 s HIS 178 Ca 0.00 -0.91 -0.25 0.00 -0.15 0.00 0.00 55.06 53.76 1q56 s HIS 178 Cb 0.00 -3.56 -0.17 0.00 1.11 0.00 0.00 32.58 29.96 1q56 s HIS 178 CO 0.00 -1.00 1.24 -0.07 -0.85 0.00 0.00 174.74 174.06 1q56 h LEU 179 N 9.28 -0.26 -1.81 0.89 4.07 -1.94 -2.71 115.31 122.83 1q56 h LEU 179 Ca -0.29 -0.23 0.08 0.00 0.08 0.00 0.00 57.88 57.52 1q56 h LEU 179 Cb 1.10 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1q56 h LEU 179 CO 0.98 0.12 0.48 0.58 -1.08 0.00 0.00 178.44 179.52 1q56 h VAL 180 N -0.68 0.17 0.36 1.22 2.07 -1.93 2.13 116.25 119.60 1q56 h VAL 180 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1q56 h VAL 180 Cb 0.47 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1q56 h VAL 180 CO 0.05 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.14 1q56 h GLU 181 N 0.00 -0.46 0.00 1.57 5.08 -1.89 -2.96 114.58 115.92 1q56 h GLU 181 Ca 0.12 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1q56 h GLU 181 Cb 1.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1q56 h GLU 181 CO -0.00 -0.22 -0.55 -3.47 -1.00 0.00 0.00 179.01 173.77 1q56 n ASP 182 N -5.10 0.70 0.04 1.42 -0.08 -0.73 -3.65 116.55 109.15 1q56 n ASP 182 Ca -0.07 0.16 -0.05 0.00 -1.51 0.00 0.00 54.79 53.31 1q56 n ASP 182 Cb 0.24 0.06 0.15 0.00 2.34 0.00 0.00 41.12 43.90 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q56 h ALA 183 N 2.54 0.94 -0.48 -1.67 0.00 0.34 -2.37 119.26 118.56 1q56 h ALA 183 Ca 0.00 -0.44 0.14 0.00 0.00 0.00 0.00 54.91 54.60 1q56 h ALA 183 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1q56 h ALA 183 CO 0.00 0.64 0.67 -0.07 0.00 0.00 0.00 179.25 180.49 1q56 h LEU 184 N 0.33 0.00 -2.58 0.00 3.38 -1.59 1.31 115.31 116.16 1q56 h LEU 184 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1q56 h LEU 184 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1q56 h LEU 184 CO 0.08 0.00 0.14 -1.13 0.09 0.00 0.00 178.44 177.62 1q56 h ASN 185 N 0.00 0.00 -3.47 -0.43 -0.73 -1.66 -3.40 115.58 105.89 1q56 h ASN 185 Ca 0.23 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.88 1q56 h ASN 185 Cb 1.57 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.14 1q56 h ASN 185 CO -0.00 0.00 -0.05 0.21 -0.37 0.00 0.00 177.43 177.22 1q56 s ASN 186 N -4.87 6.59 0.00 1.15 2.47 0.45 -5.06 114.94 115.66 1q56 s ASN 186 Ca -0.04 0.96 0.00 0.00 0.42 0.00 0.00 52.86 54.20 1q56 s ASN 186 Cb 0.11 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1q56 s ASN 186 CO 0.36 -0.18 0.00 -0.81 -3.72 0.00 0.00 177.10 172.75 1q56 n PRO 187 N -0.57 2.18 -0.93 0.43 -0.04 -1.26 -4.73 135.00 130.07 1q56 n PRO 187 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 1q56 n PRO 187 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1q56 n PRO 187 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1q56 n THR 188 N 0.00 0.89 -4.26 0.52 -1.04 -1.26 -4.95 114.28 104.18 1q56 n THR 188 Ca 0.00 -0.22 -0.20 0.00 -2.04 0.00 0.00 64.05 61.59 1q56 n THR 188 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1q56 n THR 188 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1q56 s ILE 189 N -0.45 1.48 0.11 12.58 1.01 -1.26 -5.11 121.20 129.56 1q56 s ILE 189 Ca 0.47 -1.68 0.05 0.00 0.00 0.00 0.00 60.65 59.50 1q56 s ILE 189 Cb -0.68 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1q56 s ILE 189 CO 0.37 -0.30 -0.12 -0.76 0.00 0.00 0.00 174.94 174.13 1q56 s LEU 190 N -2.31 2.41 0.00 2.97 1.43 -1.26 -5.04 118.68 116.89 1q56 s LEU 190 Ca 0.08 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1q56 s LEU 190 Cb -0.07 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1q56 s LEU 190 CO 0.04 -0.21 0.00 1.41 0.23 0.00 0.00 176.35 177.82 1q56 n HIS 191 N 0.50 0.00 -3.59 0.29 8.25 -1.26 -0.95 115.22 118.46 1q56 n HIS 191 Ca -0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.32 1q56 n HIS 191 Cb 0.58 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 1q56 n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q56 s SER 193 N -2.76 2.32 -0.20 0.00 0.01 -1.26 -5.02 113.70 106.79 1q56 s SER 193 Ca 0.14 -1.15 -0.02 0.00 1.31 0.00 0.00 55.95 56.23 1q56 s SER 193 Cb 0.05 -0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.25 1q56 s SER 193 CO -0.05 -0.37 -0.00 0.00 0.41 0.00 0.00 173.24 173.23 1q56 s ALA 194 N -3.17 1.31 0.00 1.44 0.00 -1.26 -5.12 121.76 114.96 1q56 s ALA 194 Ca 0.27 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1q56 s ALA 194 Cb 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1q56 s ALA 194 CO 0.09 -1.11 0.00 0.36 0.00 0.00 0.00 175.76 175.10