#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 0.40 0.00 1.61 7.64 -1.26 -5.05 113.62 116.97 1q56 n SER 2 Ca 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1q56 n SER 2 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1q56 n SER 2 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1q56 n GLU 3 N -0.92 1.18 -2.46 1.43 0.00 -1.26 -5.04 120.64 113.56 1q56 n GLU 3 Ca 0.01 -0.88 -0.42 0.00 0.00 0.00 0.00 57.16 55.86 1q56 n GLU 3 Cb 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 31.44 30.71 1q56 n GLU 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1q56 s LYS 4 N -0.41 4.34 -0.31 3.44 0.00 -1.26 -5.00 119.74 120.53 1q56 s LYS 4 Ca 0.00 1.66 -0.09 0.00 0.00 0.00 0.00 55.97 57.54 1q56 s LYS 4 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 37.83 34.25 1q56 s LYS 4 CO 0.00 -0.48 0.14 0.08 0.00 0.00 0.00 175.35 175.09 1q56 s VAL 5 N 2.39 4.46 -0.62 1.79 1.01 -1.26 -5.03 120.40 123.14 1q56 s VAL 5 Ca 0.55 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1q56 s VAL 5 Cb -0.24 -3.30 0.15 0.00 0.00 0.00 0.00 36.38 32.99 1q56 s VAL 5 CO 0.21 0.04 0.40 0.27 0.00 0.00 0.00 175.10 176.01 1q56 s ILE 6 N 1.58 2.63 0.01 2.22 -4.36 -1.26 -5.08 121.20 116.94 1q56 s ILE 6 Ca 0.04 -3.83 -0.24 0.00 -0.26 0.00 0.00 60.65 56.36 1q56 s ILE 6 Cb -0.17 -2.77 -0.05 0.00 1.25 0.00 0.00 42.46 40.72 1q56 s ILE 6 CO 0.05 -0.94 0.73 0.27 0.24 0.00 0.00 174.94 175.29 1q56 s ILE 7 N -0.94 4.83 -0.56 8.37 -4.36 -1.26 -5.02 121.20 122.26 1q56 s ILE 7 Ca 0.22 1.53 0.00 0.00 -0.26 0.00 0.00 60.65 62.15 1q56 s ILE 7 Cb -0.12 -4.07 0.14 0.00 1.25 0.00 0.00 42.46 39.66 1q56 s ILE 7 CO -0.11 0.35 0.34 -1.61 0.24 0.00 0.00 174.94 174.15 1q56 s GLU 8 N 0.12 2.25 -0.37 0.37 2.02 -1.26 -5.02 118.70 116.81 1q56 s GLU 8 Ca 0.37 -2.51 0.02 0.00 0.02 0.00 0.00 54.97 52.87 1q56 s GLU 8 Cb -0.20 -3.53 0.11 0.00 0.10 0.00 0.00 34.13 30.61 1q56 s GLU 8 CO 0.21 -1.13 0.13 0.15 0.02 0.00 0.00 175.26 174.64 1q56 s LYS 9 N -0.06 1.18 -0.20 1.61 -0.14 -1.26 -5.09 119.74 115.77 1q56 s LYS 9 Ca 0.16 -1.65 -0.03 0.00 -1.36 0.00 0.00 55.97 53.09 1q56 s LYS 9 Cb -0.23 -2.55 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1q56 s LYS 9 CO -0.02 -1.02 -0.06 0.00 -0.76 0.00 0.00 175.35 173.48 1q56 s ALA 10 N 0.96 2.77 0.47 5.17 0.00 -1.26 -4.96 121.76 124.91 1q56 s ALA 10 Ca 0.12 -1.12 0.29 0.00 0.00 0.00 0.00 51.96 51.25 1q56 s ALA 10 Cb -0.20 -1.60 1.58 0.00 0.00 0.00 0.00 23.12 22.89 1q56 s ALA 10 CO -0.12 -0.32 1.87 0.00 0.00 0.00 0.00 175.76 177.19 1q56 h ALA 11 N 7.87 1.22 -0.56 0.00 0.00 -2.07 -3.47 119.26 122.26 1q56 h ALA 11 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1q56 h ALA 11 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1q56 h ALA 11 CO 0.60 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1q56 n GLY 12 N -1.21 -0.07 0.00 0.00 0.00 -1.26 -4.96 105.19 97.69 1q56 n GLY 12 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1q56 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q56 n ASP 13 N -1.63 0.00 -1.69 1.61 9.92 -1.26 -4.94 116.55 118.56 1q56 n ASP 13 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1q56 n ASP 13 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q56 n ALA 14 N -3.00 -0.44 -1.79 2.24 0.00 -1.26 -4.72 120.51 111.54 1q56 n ALA 14 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1q56 n ALA 14 Cb 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 1q56 n ALA 14 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1q56 s GLU 15 N -3.43 1.96 -0.05 0.00 2.12 -1.26 -4.90 118.70 113.14 1q56 s GLU 15 Ca 0.00 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.31 1q56 s GLU 15 Cb 0.00 -4.95 -0.02 0.00 0.26 0.00 0.00 34.13 29.42 1q56 s GLU 15 CO 0.00 -4.18 -0.19 0.00 -0.54 0.00 0.00 175.26 170.35 1q56 s ALA 16 N 13.11 2.46 0.07 6.30 0.00 -1.26 -4.47 121.76 137.97 1q56 s ALA 16 Ca 0.81 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.84 1q56 s ALA 16 Cb -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1q56 s ALA 16 CO 0.07 0.50 -0.23 0.42 0.00 0.00 0.00 175.76 176.52 1q56 s ILE 17 N -0.51 1.85 -0.19 0.00 -1.09 -1.18 -2.86 121.20 117.22 1q56 s ILE 17 Ca 0.07 -1.38 -0.02 0.00 -2.23 0.00 0.00 60.65 57.08 1q56 s ILE 17 Cb -0.11 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.14 1q56 s ILE 17 CO 0.01 0.17 -0.09 0.00 -1.23 0.00 0.00 174.94 173.80 1q56 s ALA 18 N -0.91 2.70 0.25 9.38 0.00 -1.18 -2.46 121.76 129.54 1q56 s ALA 18 Ca 0.09 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1q56 s ALA 18 Cb -0.09 -1.50 -0.08 0.00 0.00 0.00 0.00 23.12 21.44 1q56 s ALA 18 CO 0.03 -0.23 0.65 -0.06 0.00 0.00 0.00 175.76 176.15 1q56 s PHE 19 N 1.14 3.48 -2.28 0.00 0.40 0.19 -4.83 117.98 116.08 1q56 s PHE 19 Ca 0.01 1.13 0.20 0.00 -0.60 0.00 0.00 56.93 57.67 1q56 s PHE 19 Cb -0.14 -2.45 0.25 0.00 0.51 0.00 0.00 43.02 41.19 1q56 s PHE 19 CO -0.02 0.25 1.21 -0.40 0.70 0.00 0.00 175.22 176.95 1q56 n ASP 20 N 0.11 2.91 0.00 1.36 5.75 -1.25 -3.01 116.55 122.41 1q56 n ASP 20 Ca 0.00 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1q56 n ASP 20 Cb 0.52 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 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 1.17 0.49 0.58 6.12 0.00 -0.30 -4.79 105.19 108.47 1q56 n GLY 21 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 0.59 -4.07 1.61 0.63 -1.26 -3.46 116.66 108.70 1q56 n ARG 22 Ca 0.00 -1.97 -0.22 0.00 -0.92 0.00 0.00 57.85 54.74 1q56 n ARG 22 Cb 0.00 -0.85 -0.05 0.00 0.45 0.00 0.00 32.46 32.01 1q56 n ARG 22 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1q56 s THR 23 N -1.28 3.47 -0.13 5.15 -1.32 -1.26 -4.89 115.64 115.39 1q56 s THR 23 Ca 0.21 -1.61 -0.05 0.00 -1.21 0.00 0.00 61.69 59.03 1q56 s THR 23 Cb 0.21 -3.08 0.06 0.00 -1.51 0.00 0.00 72.50 68.18 1q56 s THR 23 CO -0.03 -0.24 0.27 -0.72 -2.21 0.00 0.00 174.62 171.68 1q56 s TYR 24 N -2.33 -0.41 -0.56 9.09 1.13 -1.26 -4.05 117.35 118.96 1q56 s TYR 24 Ca 0.36 0.94 -0.17 0.00 -1.41 0.00 0.00 57.07 56.80 1q56 s TYR 24 Cb -0.05 0.00 0.12 0.00 -1.10 0.00 0.00 41.96 40.94 1q56 s TYR 24 CO 0.23 -0.32 0.56 -1.64 -2.51 0.00 0.00 175.55 171.87 1q56 s MET 25 N 2.06 3.01 -0.69 -3.49 -1.94 -1.17 -4.89 119.30 112.18 1q56 s MET 25 Ca -0.02 -1.60 -0.22 0.00 -1.71 0.00 0.00 55.69 52.14 1q56 s MET 25 Cb -0.11 -4.29 0.08 0.00 2.01 0.00 0.00 34.83 32.52 1q56 s MET 25 CO -0.09 -1.39 0.97 -2.00 -0.01 0.00 0.00 175.02 172.50 1q56 s GLU 26 N 1.91 3.18 -0.40 2.03 2.12 -1.26 -1.95 118.70 124.33 1q56 s GLU 26 Ca 0.06 -1.02 -0.17 0.00 0.36 0.00 0.00 54.97 54.20 1q56 s GLU 26 Cb -0.28 -4.34 0.01 0.00 0.26 0.00 0.00 34.13 29.78 1q56 s GLU 26 CO 0.04 -1.79 0.43 0.71 -0.54 0.00 0.00 175.26 174.11 1q56 s TYR 27 N 3.74 3.18 -0.28 5.30 2.02 0.06 -4.80 117.35 126.58 1q56 s TYR 27 Ca 0.23 -0.25 -0.09 0.00 -0.37 0.00 0.00 57.07 56.59 1q56 s TYR 27 Cb -0.16 -2.84 -0.02 0.00 -0.40 0.00 0.00 41.96 38.54 1q56 s TYR 27 CO 0.07 -0.62 0.13 -1.58 -1.57 0.00 0.00 175.55 171.97 1q56 s HIS 28 N 2.13 3.15 -0.03 2.71 2.46 -1.26 -1.75 115.29 122.70 1q56 s HIS 28 Ca 0.13 -0.39 -0.01 0.00 0.47 0.00 0.00 55.06 55.26 1q56 s HIS 28 Cb -0.17 -2.32 0.03 0.00 -0.13 0.00 0.00 32.58 30.00 1q56 s HIS 28 CO 0.13 -0.37 0.05 -0.80 -2.47 0.00 0.00 174.74 171.28 1q56 s ASN 29 N 1.64 0.21 0.28 9.88 0.01 -0.20 -5.02 114.94 121.74 1q56 s ASN 29 Ca 0.06 0.08 -0.28 0.00 -0.71 0.00 0.00 52.86 52.00 1q56 s ASN 29 Cb -0.16 -0.05 -0.09 0.00 0.41 0.00 0.00 41.25 41.36 1q56 s ASN 29 CO 0.06 -0.15 0.99 0.00 -1.51 0.00 0.00 177.10 176.49 1q56 s ALA 30 N 1.26 3.30 -0.28 0.60 0.00 -1.26 -4.27 121.76 121.11 1q56 s ALA 30 Ca -0.07 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 1q56 s ALA 30 Cb -0.13 -3.24 0.12 0.00 0.00 0.00 0.00 23.12 19.87 1q56 s ALA 30 CO -0.03 0.07 0.91 0.54 0.00 0.00 0.00 175.76 177.26 1q56 s VAL 31 N -1.32 0.00 -0.29 0.00 0.11 -1.26 -5.06 120.40 112.58 1q56 s VAL 31 Ca 0.45 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1q56 s VAL 31 Cb -0.25 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.79 1q56 s VAL 31 CO 0.32 0.00 0.75 0.28 -3.33 0.00 0.00 175.10 173.12 1q56 s THR 32 N 0.99 -0.75 -1.21 5.04 -1.32 -1.26 -4.79 115.64 112.35 1q56 s THR 32 Ca -0.05 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.31 1q56 s THR 32 Cb -0.04 -0.76 0.19 0.00 -1.51 0.00 0.00 72.50 70.38 1q56 s THR 32 CO -0.12 0.00 1.49 0.29 -2.21 0.00 0.00 174.62 174.07 1q56 n LYS 33 N 5.32 3.49 -2.74 7.08 5.02 -1.26 -4.72 118.16 130.36 1q56 n LYS 33 Ca 0.06 -3.90 -0.02 0.00 -2.02 0.00 0.00 58.31 52.43 1q56 n LYS 33 Cb 0.55 -2.93 -0.02 0.00 -0.02 0.00 0.00 35.03 32.61 1q56 n LYS 33 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1q56 n SER 34 N 4.70 -5.06 -1.70 4.39 7.64 -1.26 -4.77 113.62 117.56 1q56 n SER 34 Ca 0.35 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.53 1q56 n SER 34 Cb 0.40 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 1q56 n SER 34 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1q56 n GLU 35 N 1.24 -3.70 -2.16 1.43 0.00 -1.26 -4.86 120.64 111.34 1q56 n GLU 35 Ca -0.16 2.80 -0.37 0.00 0.00 0.00 0.00 57.16 59.43 1q56 n GLU 35 Cb 0.29 -3.08 0.03 0.00 0.00 0.00 0.00 31.44 28.68 1q56 n GLU 35 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1q56 n LYS 36 N 1.27 3.24 -2.53 5.31 2.85 -1.26 -4.61 118.16 122.43 1q56 n LYS 36 Ca 0.00 -3.91 -0.13 0.00 -1.05 0.00 0.00 58.31 53.22 1q56 n LYS 36 Cb 0.00 -2.29 0.03 0.00 -0.65 0.00 0.00 35.03 32.12 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1q56 n ALA 37 N -0.46 3.85 -0.95 0.58 0.00 -1.26 -4.14 120.51 118.13 1q56 n ALA 37 Ca 0.49 -3.40 -0.01 0.00 0.00 0.00 0.00 53.44 50.53 1q56 n ALA 37 Cb 0.33 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.09 1q56 n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1q56 n LEU 38 N -0.46 0.00 -0.11 0.00 4.32 -1.26 -4.71 117.00 114.78 1q56 n LEU 38 Ca 0.22 -0.05 0.05 0.00 -0.02 0.00 0.00 56.01 56.21 1q56 n LEU 38 Cb 0.82 -0.07 0.07 0.00 -1.62 0.00 0.00 43.42 42.61 1q56 n LEU 38 CO 0.25 -1.41 0.47 0.00 -1.22 0.00 0.00 177.39 175.49 1q56 n GLN 39 N -1.30 1.45 -3.53 3.23 10.64 -1.26 -4.44 117.38 122.18 1q56 n GLN 39 Ca 0.01 -1.86 -0.14 0.00 -1.83 0.00 0.00 57.00 53.17 1q56 n GLN 39 Cb 0.03 -1.12 -0.05 0.00 -0.86 0.00 0.00 30.24 28.24 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 -1.83 -0.51 0.15 2.61 1.04 -1.26 -0.59 113.70 113.32 1q56 s SER 40 Ca 0.16 0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.84 1q56 s SER 40 Cb 0.14 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1q56 s SER 40 CO 0.01 -0.77 -0.10 0.20 0.98 0.00 0.00 173.24 173.57 1q56 s ASN 41 N -2.05 1.78 -0.15 7.02 0.01 -1.09 -4.93 114.94 115.53 1q56 s ASN 41 Ca -0.04 -1.02 -0.01 0.00 -0.71 0.00 0.00 52.86 51.08 1q56 s ASN 41 Cb -0.01 -0.01 0.04 0.00 0.41 0.00 0.00 41.25 41.69 1q56 s ASN 41 CO -0.03 -0.34 -0.04 -1.00 -1.51 0.00 0.00 177.10 174.18 1q56 s HIS 42 N -3.34 1.48 -0.22 2.20 3.76 -1.26 -2.66 115.29 115.25 1q56 s HIS 42 Ca 0.17 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.19 1q56 s HIS 42 Cb 0.03 -1.21 0.04 0.00 1.11 0.00 0.00 32.58 32.54 1q56 s HIS 42 CO 0.01 -0.57 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.13 1q56 s PHE 43 N 1.71 3.04 -0.01 1.40 0.08 -0.84 -2.17 117.98 121.19 1q56 s PHE 43 Ca 0.02 -1.96 0.06 0.00 0.12 0.00 0.00 56.93 55.17 1q56 s PHE 43 Cb -0.15 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1q56 s PHE 43 CO -0.08 -0.83 -0.19 -1.21 -0.10 0.00 0.00 175.22 172.81 1q56 s GLU 44 N 1.20 1.53 0.00 0.44 8.01 -0.30 -0.86 118.70 128.72 1q56 s GLU 44 Ca -0.02 -0.72 0.00 0.00 0.01 0.00 0.00 54.97 54.24 1q56 s GLU 44 Cb -0.17 -1.50 0.00 0.00 -4.31 0.00 0.00 34.13 28.15 1q56 s GLU 44 CO -0.08 0.41 0.00 1.47 0.01 0.00 0.00 175.26 177.06 1q56 n LEU 45 N 2.51 0.00 -4.48 1.80 -0.00 -1.04 -0.56 117.00 115.23 1q56 n LEU 45 Ca -0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.62 1q56 n LEU 45 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1q56 n LEU 45 CO 0.24 0.00 -0.45 -0.44 -0.00 0.00 0.00 177.39 176.73 1q56 s SER 46 N 0.00 3.52 0.25 1.45 0.01 -0.75 -0.73 113.70 117.45 1q56 s SER 46 Ca 0.00 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.08 1q56 s SER 46 Cb 0.00 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1q56 s SER 46 CO 0.00 -0.04 0.44 0.27 0.41 0.00 0.00 173.24 174.33 1q56 s ILE 47 N -2.58 0.00 -0.47 1.44 -4.36 -0.74 -1.57 121.20 112.92 1q56 s ILE 47 Ca 0.30 -1.49 0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1q56 s ILE 47 Cb -0.03 -2.29 0.15 0.00 1.25 0.00 0.00 42.46 41.55 1q56 s ILE 47 CO 0.15 0.00 0.31 -0.75 0.24 0.00 0.00 174.94 174.89 1q56 s LYS 48 N -3.92 1.32 0.66 0.37 2.20 0.71 -2.37 119.74 118.72 1q56 s LYS 48 Ca 0.25 -2.21 -0.14 0.00 -0.36 0.00 0.00 55.97 53.51 1q56 s LYS 48 Cb 0.00 -2.17 -0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1q56 s LYS 48 CO 0.10 -1.25 1.08 0.95 -0.36 0.00 0.00 175.35 175.87 1q56 s THR 49 N 0.01 3.56 0.00 3.43 -4.23 -1.26 -0.66 115.64 116.49 1q56 s THR 49 Ca 0.23 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1q56 s THR 49 Cb -0.13 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1q56 s THR 49 CO -0.08 -0.51 0.04 -0.62 -0.54 0.00 0.00 174.62 172.90 1q56 n GLU 50 N -2.57 0.44 0.00 3.99 -0.58 -1.15 -2.30 120.64 118.48 1q56 n GLU 50 Ca 0.09 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1q56 n GLU 50 Cb 0.53 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 n ALA 51 N -0.07 1.75 0.00 0.62 0.00 -1.26 -5.01 120.51 116.53 1q56 n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 51 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1q56 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q56 n THR 52 N -0.75 0.00 -4.32 0.00 -2.24 -1.26 -4.80 114.28 100.91 1q56 n THR 52 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1q56 n THR 52 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 1q56 n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1q56 s GLN 53 N 0.00 0.91 0.00 -0.78 0.74 -1.26 -0.44 119.66 118.83 1q56 s GLN 53 Ca 0.00 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1q56 s GLN 53 Cb 0.00 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 33.19 1q56 s GLN 53 CO 0.00 0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 1q56 n GLY 54 N 1.79 4.17 3.73 2.59 0.00 -0.52 -4.65 105.19 112.30 1q56 n GLY 54 Ca -0.19 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 4.42 0.00 0.99 0.05 -0.44 0.11 118.68 123.81 1q56 s LEU 55 Ca 0.00 1.56 0.22 0.00 0.05 0.00 0.00 54.13 55.97 1q56 s LEU 55 Cb 0.00 -3.41 -0.02 0.00 -2.05 0.00 0.00 46.19 40.72 1q56 s LEU 55 CO 0.00 -0.11 1.05 -0.38 -0.55 0.00 0.00 176.35 176.36 1q56 n ILE 56 N 3.30 0.00 -3.60 1.48 -0.00 0.50 -1.98 119.36 119.05 1q56 n ILE 56 Ca 0.02 -0.05 -0.10 0.00 -0.00 0.00 0.00 62.75 62.62 1q56 n ILE 56 Cb 0.50 0.89 -0.06 0.00 -0.00 0.00 0.00 39.64 40.98 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 -2.88 -0.38 -0.19 1.39 0.20 0.08 -0.93 118.68 115.97 1q56 s LEU 57 Ca 0.11 0.56 -0.06 0.00 0.69 0.00 0.00 54.13 55.43 1q56 s LEU 57 Cb 0.17 1.84 0.09 0.00 -0.43 0.00 0.00 46.19 47.86 1q56 s LEU 57 CO 0.77 -0.26 0.38 0.86 -0.29 0.00 0.00 176.35 177.81 1q56 s TRP 58 N -0.59 -0.72 -0.10 5.38 -0.11 -1.13 -1.04 118.94 120.63 1q56 s TRP 58 Ca 0.00 1.28 0.00 0.00 1.22 0.00 0.00 56.10 58.61 1q56 s TRP 58 Cb -0.02 0.18 0.02 0.00 -1.50 0.00 0.00 33.47 32.15 1q56 s TRP 58 CO -0.02 -0.50 -0.08 -1.54 -4.62 0.00 0.00 176.95 170.19 1q56 s SER 59 N 2.56 1.97 0.24 5.86 1.04 -0.76 -2.32 113.70 122.30 1q56 s SER 59 Ca 0.01 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.19 1q56 s SER 59 Cb -0.13 -0.79 -0.05 0.00 0.10 0.00 0.00 66.02 65.15 1q56 s SER 59 CO -0.12 -0.08 0.05 -0.83 0.98 0.00 0.00 173.24 173.23 1q56 s GLY 60 N 1.43 1.63 0.00 7.32 0.00 -1.26 -2.97 107.32 113.46 1q56 s GLY 60 Ca -0.01 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1q56 s GLY 60 CO -0.05 -1.62 0.00 0.58 0.00 0.00 0.00 173.10 172.01 1q56 n LYS 61 N -0.43 3.98 -4.23 2.90 -0.00 -1.26 -4.44 118.16 114.68 1q56 n LYS 61 Ca -0.03 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.09 1q56 n LYS 61 Cb 0.65 -0.48 -0.16 0.00 -0.00 0.00 0.00 35.03 35.04 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 -0.31 0.44 0.11 2.58 0.00 -1.26 -4.97 107.32 103.90 1q56 s GLY 62 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1q56 s GLY 62 CO 0.00 0.22 0.00 1.04 0.00 0.00 0.00 173.10 174.36 1q56 n LEU 63 N 3.70 0.00 -0.93 0.66 4.77 -1.26 -4.31 117.00 119.63 1q56 n LEU 63 Ca -0.22 0.49 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1q56 n LEU 63 Cb 0.53 -1.67 0.17 0.00 -2.33 0.00 0.00 43.42 40.12 1q56 n LEU 63 CO 0.24 -0.95 0.38 -1.84 -1.33 0.00 0.00 177.39 173.89 1q56 n GLU 64 N -1.70 1.99 -0.76 3.23 0.28 -1.26 -4.59 120.64 117.83 1q56 n GLU 64 Ca 0.00 -3.45 -0.03 0.00 -0.16 0.00 0.00 57.16 53.52 1q56 n GLU 64 Cb 0.21 -1.77 -0.03 0.00 1.43 0.00 0.00 31.44 31.28 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 -1.05 0.00 -0.97 3.44 1.85 -1.26 -4.96 116.66 113.72 1q56 n ARG 65 Ca 0.26 -0.55 0.00 0.00 -1.00 0.00 0.00 57.85 56.56 1q56 n ARG 65 Cb 0.78 0.21 0.00 0.00 -1.05 0.00 0.00 32.46 32.40 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 0.01 1.66 -4.50 2.89 3.41 -1.26 -5.05 113.62 110.78 1q56 n SER 66 Ca -0.13 -0.53 -0.50 0.00 -0.26 0.00 0.00 58.87 57.45 1q56 n SER 66 Cb 0.62 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1q56 n SER 66 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1q56 n ASP 67 N -0.70 0.20 -3.76 4.04 2.03 -1.26 -4.93 116.55 112.17 1q56 n ASP 67 Ca 0.00 1.15 -0.09 0.00 0.52 0.00 0.00 54.79 56.37 1q56 n ASP 67 Cb 0.00 -1.07 -0.03 0.00 -0.72 0.00 0.00 41.12 39.30 1q56 n ASP 67 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1q56 s TYR 68 N -0.49 0.24 -0.13 -0.67 -0.85 -1.17 -4.68 117.35 109.60 1q56 s TYR 68 Ca 0.73 -0.66 -0.04 0.00 -0.52 0.00 0.00 57.07 56.58 1q56 s TYR 68 Cb -0.96 0.39 0.06 0.00 0.38 0.00 0.00 41.96 41.84 1q56 s TYR 68 CO 0.55 -1.15 0.24 0.42 -1.52 0.00 0.00 175.55 174.09 1q56 s ILE 69 N -3.69 -0.38 0.28 -3.49 1.01 -1.16 -1.77 121.20 112.00 1q56 s ILE 69 Ca 0.19 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.16 1q56 s ILE 69 Cb -0.03 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 1q56 s ILE 69 CO 0.10 0.10 0.25 0.00 0.00 0.00 0.00 174.94 175.39 1q56 n ALA 70 N 5.34 0.50 -3.56 9.38 0.00 -1.19 -1.83 120.51 129.16 1q56 n ALA 70 Ca -0.06 -1.58 -0.12 0.00 0.00 0.00 0.00 53.44 51.69 1q56 n ALA 70 Cb 0.50 1.28 -0.11 0.00 0.00 0.00 0.00 19.45 21.12 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 -0.46 0.43 0.00 1.02 -0.21 -2.23 118.68 117.23 1q56 s LEU 71 Ca 0.32 0.50 0.04 0.00 0.02 0.00 0.00 54.13 55.01 1q56 s LEU 71 Cb 0.01 0.95 -0.02 0.00 0.02 0.00 0.00 46.19 47.15 1q56 s LEU 71 CO 0.23 -0.26 0.13 0.00 0.02 0.00 0.00 176.35 176.46 1q56 s ALA 72 N 2.49 3.10 -0.06 4.21 0.00 -1.05 0.19 121.76 130.64 1q56 s ALA 72 Ca 0.04 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1q56 s ALA 72 Cb -0.13 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1q56 s ALA 72 CO -0.12 -0.31 -0.24 0.42 0.00 0.00 0.00 175.76 175.51 1q56 s ILE 73 N -3.16 2.01 -0.03 0.00 1.01 0.29 -1.25 121.20 120.08 1q56 s ILE 73 Ca 0.21 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1q56 s ILE 73 Cb 0.02 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.80 1q56 s ILE 73 CO 0.14 0.56 0.06 -0.69 0.00 0.00 0.00 174.94 175.00 1q56 s VAL 74 N -0.07 -0.03 -2.11 2.92 1.01 0.18 -1.44 120.40 120.87 1q56 s VAL 74 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1q56 s VAL 74 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1q56 s VAL 74 CO 0.04 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.67 1q56 n ASP 75 N 3.74 -5.53 -0.06 3.32 8.00 -1.12 -1.32 116.55 123.58 1q56 n ASP 75 Ca -0.21 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1q56 n ASP 75 Cb 0.54 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.82 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 -0.51 0.79 3.07 0.44 0.00 0.41 -5.01 105.19 104.38 1q56 n GLY 76 Ca -0.21 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.12 -0.35 0.74 1.61 0.40 -0.43 -2.92 117.98 114.90 1q56 s PHE 77 Ca 0.00 0.82 -0.13 0.00 -0.60 0.00 0.00 56.93 57.02 1q56 s PHE 77 Cb 0.00 0.06 0.17 0.00 0.51 0.00 0.00 43.02 43.77 1q56 s PHE 77 CO 0.00 -0.24 0.93 0.28 0.70 0.00 0.00 175.22 176.89 1q56 n VAL 78 N 4.20 0.00 0.00 -0.44 0.31 -1.26 0.48 118.33 121.62 1q56 n VAL 78 Ca -0.25 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 1q56 n VAL 78 Cb 0.53 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1q56 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q56 n GLN 79 N -3.19 0.00 -3.07 5.55 10.64 -0.38 -2.27 117.38 124.66 1q56 n GLN 79 Ca 0.12 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.86 1q56 n GLN 79 Cb 0.42 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.73 1q56 n GLN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1q56 s MET 80 N -0.38 3.29 -0.49 2.61 0.23 -1.18 -2.52 119.30 120.86 1q56 s MET 80 Ca 0.00 -0.36 -0.19 0.00 -1.03 0.00 0.00 55.69 54.11 1q56 s MET 80 Cb 0.00 -3.97 0.05 0.00 -1.53 0.00 0.00 34.83 29.39 1q56 s MET 80 CO 0.00 -1.07 0.62 0.00 -2.03 0.00 0.00 175.02 172.54 1q56 s MET 81 N 2.95 3.14 -0.16 3.16 0.23 -0.95 -1.86 119.30 125.80 1q56 s MET 81 Ca 0.24 -0.81 -0.17 0.00 -1.03 0.00 0.00 55.69 53.92 1q56 s MET 81 Cb -0.14 -4.07 -0.04 0.00 -1.53 0.00 0.00 34.83 29.05 1q56 s MET 81 CO 0.19 -1.17 0.42 0.71 -2.03 0.00 0.00 175.02 173.14 1q56 s TYR 82 N 2.63 3.44 -0.30 3.16 2.02 -0.85 -3.17 117.35 124.28 1q56 s TYR 82 Ca 0.16 0.73 0.15 0.00 -0.37 0.00 0.00 57.07 57.74 1q56 s TYR 82 Cb -0.18 -2.52 0.47 0.00 -0.40 0.00 0.00 41.96 39.33 1q56 s TYR 82 CO 0.13 0.09 1.10 -3.47 -1.57 0.00 0.00 175.55 171.83 1q56 n ASP 83 N 4.06 2.88 0.02 2.29 2.03 -0.73 -0.12 116.55 126.98 1q56 n ASP 83 Ca -0.08 -2.85 0.04 0.00 0.52 0.00 0.00 54.79 52.42 1q56 n ASP 83 Cb 0.51 -0.45 0.19 0.00 -0.72 0.00 0.00 41.12 40.65 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q56 n LEU 84 N -0.51 0.08 -2.73 -2.67 -0.00 -1.26 -2.83 117.00 107.08 1q56 n LEU 84 Ca 0.22 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.76 1q56 n LEU 84 Cb 0.83 -0.53 0.05 0.00 -0.00 0.00 0.00 43.42 43.77 1q56 n LEU 84 CO 0.23 -0.44 -0.00 0.61 -0.00 0.00 0.00 177.39 177.79 1q56 n GLY 85 N -0.83 1.77 3.61 1.47 0.00 -1.26 -4.45 105.19 105.50 1q56 n GLY 85 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.52 0.00 -4.21 1.61 2.88 -1.13 -4.87 113.62 107.38 1q56 n SER 86 Ca 0.07 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.22 1q56 n SER 86 Cb 0.83 -0.56 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.06 2.40 -0.52 -1.46 -0.14 -1.26 -5.02 119.74 113.68 1q56 s LYS 87 Ca 0.00 -1.61 -0.28 0.00 -1.36 0.00 0.00 55.97 52.73 1q56 s LYS 87 Cb 0.00 -3.71 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 1q56 s LYS 87 CO 0.00 -1.01 1.56 -1.25 -0.76 0.00 0.00 175.35 173.89 1q56 s PRO 88 N 1.32 3.21 -0.54 -1.68 0.04 -1.19 -4.02 135.00 132.14 1q56 s PRO 88 Ca 0.04 0.69 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 1q56 s PRO 88 Cb -0.23 -4.17 0.04 0.00 0.04 0.00 0.00 34.50 30.17 1q56 s PRO 88 CO -0.00 -2.03 0.97 0.54 0.04 0.00 0.00 177.00 176.51 1q56 s VAL 89 N 6.69 4.35 -1.19 -0.36 0.11 0.83 -4.70 120.40 126.14 1q56 s VAL 89 Ca 0.60 0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 59.94 1q56 s VAL 89 Cb -0.13 -4.55 0.13 0.00 -1.53 0.00 0.00 36.38 30.30 1q56 s VAL 89 CO 0.26 -1.10 1.49 0.54 -3.33 0.00 0.00 175.10 172.96 1q56 s VAL 90 N 4.06 4.68 -0.88 2.04 0.11 -1.26 -2.00 120.40 127.15 1q56 s VAL 90 Ca 0.33 -2.20 -0.21 0.00 -2.93 0.00 0.00 61.98 56.97 1q56 s VAL 90 Cb -0.11 -4.99 -0.13 0.00 -1.53 0.00 0.00 36.38 29.62 1q56 s VAL 90 CO 0.21 -1.74 1.97 0.18 -3.33 0.00 0.00 175.10 172.39 1q56 n LEU 91 N 6.71 4.50 -4.52 2.54 4.77 -0.78 -4.78 117.00 125.44 1q56 n LEU 91 Ca 0.38 -3.08 -0.29 0.00 -0.03 0.00 0.00 56.01 52.99 1q56 n LEU 91 Cb 0.45 -1.20 0.24 0.00 -2.33 0.00 0.00 43.42 40.58 1q56 n LEU 91 CO 0.65 -0.15 0.54 -0.13 -1.33 0.00 0.00 177.39 176.97 1q56 s ARG 92 N 4.74 -0.91 0.16 3.23 0.52 -1.26 -3.11 118.95 122.32 1q56 s ARG 92 Ca 0.56 0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 56.31 1q56 s ARG 92 Cb 0.14 -1.58 -0.05 0.00 0.52 0.00 0.00 34.95 33.99 1q56 s ARG 92 CO 0.09 -3.64 0.35 0.45 0.02 0.00 0.00 175.30 172.57 1q56 s SER 93 N -2.96 6.42 -0.36 0.23 0.15 -0.96 -4.50 113.70 111.71 1q56 s SER 93 Ca 0.68 0.44 0.08 0.00 0.70 0.00 0.00 55.95 57.85 1q56 s SER 93 Cb -0.21 -2.03 0.68 0.00 -1.71 0.00 0.00 66.02 62.76 1q56 s SER 93 CO 0.61 0.03 1.79 1.07 1.20 0.00 0.00 173.24 177.95 1q56 n THR 94 N -0.24 2.97 -4.33 6.45 5.66 -1.26 -4.81 114.28 118.72 1q56 n THR 94 Ca -0.04 -1.89 -0.21 0.00 -3.05 0.00 0.00 64.05 58.86 1q56 n THR 94 Cb 0.53 -0.39 -0.13 0.00 -1.55 0.00 0.00 70.33 68.79 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 1.33 0.17 1.08 1.01 -1.26 -5.08 120.40 114.51 1q56 s VAL 95 Ca 0.54 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1q56 s VAL 95 Cb 0.45 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 1q56 s VAL 95 CO 0.11 -0.04 1.39 -2.16 0.00 0.00 0.00 175.10 174.40 1q56 s PRO 96 N -1.47 4.32 -0.09 2.72 0.04 -1.26 -4.82 135.00 134.44 1q56 s PRO 96 Ca 0.03 2.14 0.08 0.00 0.04 0.00 0.00 61.00 63.28 1q56 s PRO 96 Cb -0.09 -3.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.14 1q56 s PRO 96 CO 0.02 -0.39 0.02 1.51 0.04 0.00 0.00 177.00 178.20 1q56 n ILE 97 N 3.24 0.63 -0.67 0.56 0.13 -1.15 -4.71 119.36 117.39 1q56 n ILE 97 Ca 0.09 -0.38 -0.22 0.00 -1.10 0.00 0.00 62.75 61.14 1q56 n ILE 97 Cb 0.42 -0.77 -0.02 0.00 -0.84 0.00 0.00 39.64 38.43 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 -2.38 3.72 -0.00 9.51 6.94 -1.26 -3.98 115.26 127.80 1q56 n ASN 98 Ca -0.15 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.08 1q56 n ASN 98 Cb 0.79 -0.99 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 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 4.65 0.90 -1.16 5.53 -1.04 -1.26 -4.93 114.28 116.97 1q56 n THR 99 Ca 0.38 -0.92 -0.09 0.00 -2.04 0.00 0.00 64.05 61.38 1q56 n THR 99 Cb 0.15 0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 69.16 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 -0.47 -4.37 -4.86 8.00 4.13 -0.97 -4.92 115.26 111.80 1q56 n ASN 100 Ca 0.00 0.22 -0.23 0.00 1.68 0.00 0.00 54.58 56.26 1q56 n ASN 100 Cb 0.29 -3.38 -0.03 0.00 -1.54 0.00 0.00 39.78 35.12 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 -1.66 2.34 -0.30 3.10 3.76 -1.26 -4.89 115.29 116.38 1q56 s HIS 101 Ca 0.00 -0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 54.13 1q56 s HIS 101 Cb 0.00 -2.06 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 1q56 s HIS 101 CO 0.00 -0.19 0.44 -1.58 -0.85 0.00 0.00 174.74 172.56 1q56 s TRP 102 N -2.59 3.23 0.15 1.40 0.52 -1.26 -4.11 118.94 116.28 1q56 s TRP 102 Ca 0.43 0.34 0.09 0.00 0.02 0.00 0.00 56.10 56.99 1q56 s TRP 102 Cb -0.01 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 1q56 s TRP 102 CO 0.25 -0.34 -0.17 0.99 0.02 0.00 0.00 176.95 177.70 1q56 s THR 103 N 2.19 2.84 0.19 2.01 2.01 -1.00 -4.90 115.64 118.99 1q56 s THR 103 Ca 0.17 -1.67 0.04 0.00 0.31 0.00 0.00 61.69 60.54 1q56 s THR 103 Cb -0.16 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1q56 s THR 103 CO 0.11 -0.02 0.26 -2.28 -0.69 0.00 0.00 174.62 172.01 1q56 s HIS 104 N -1.44 3.37 0.04 4.92 2.46 -1.26 -1.78 115.29 121.59 1q56 s HIS 104 Ca 0.21 0.03 -0.08 0.00 0.47 0.00 0.00 55.06 55.69 1q56 s HIS 104 Cb -0.09 -1.58 -0.00 0.00 -0.13 0.00 0.00 32.58 30.77 1q56 s HIS 104 CO 0.12 0.50 0.17 0.42 -2.47 0.00 0.00 174.74 173.47 1q56 s ILE 105 N -1.84 0.11 -0.03 0.89 1.01 0.09 0.12 121.20 121.54 1q56 s ILE 105 Ca 0.33 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 1q56 s ILE 105 Cb -0.10 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1q56 s ILE 105 CO 0.27 -0.52 0.27 -0.75 0.00 0.00 0.00 174.94 174.21 1q56 s LYS 106 N -2.54 0.55 -0.30 2.79 2.36 -0.89 -2.51 119.74 119.21 1q56 s LYS 106 Ca -0.05 -0.10 -0.04 0.00 -2.55 0.00 0.00 55.97 53.24 1q56 s LYS 106 Cb -0.01 0.25 0.10 0.00 -1.05 0.00 0.00 37.83 37.12 1q56 s LYS 106 CO -0.04 -0.14 0.14 0.00 1.55 0.00 0.00 175.35 176.86 1q56 s ALA 107 N -0.99 0.68 -0.37 3.13 0.00 -0.04 -2.61 121.76 121.56 1q56 s ALA 107 Ca -0.11 -1.17 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 1q56 s ALA 107 Cb -0.05 -1.41 0.06 0.00 0.00 0.00 0.00 23.12 21.72 1q56 s ALA 107 CO 0.03 -1.69 0.15 1.52 0.00 0.00 0.00 175.76 175.77 1q56 s TYR 108 N 2.00 3.34 0.07 0.00 1.13 -1.08 -2.00 117.35 120.81 1q56 s TYR 108 Ca 0.10 -1.68 -0.10 0.00 -1.41 0.00 0.00 57.07 53.98 1q56 s TYR 108 Cb -0.17 -2.61 -0.06 0.00 -1.10 0.00 0.00 41.96 38.03 1q56 s TYR 108 CO -0.34 -0.81 0.40 0.50 -2.51 0.00 0.00 175.55 172.79 1q56 s ARG 109 N 1.35 3.77 -0.15 -3.49 3.00 -1.09 -2.78 118.95 119.56 1q56 s ARG 109 Ca 0.01 0.19 -0.00 0.00 -1.00 0.00 0.00 55.73 54.93 1q56 s ARG 109 Cb -0.21 -3.01 0.04 0.00 0.00 0.00 0.00 34.95 31.76 1q56 s ARG 109 CO 0.01 0.57 -0.07 0.08 0.00 0.00 0.00 175.30 175.89 1q56 s VAL 110 N -1.37 1.15 0.00 7.11 1.01 -0.62 -2.68 120.40 124.99 1q56 s VAL 110 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1q56 s VAL 110 Cb -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1q56 s VAL 110 CO 0.18 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1q56 n GLN 111 N 4.87 0.00 0.00 2.72 1.13 0.24 -1.68 117.38 124.67 1q56 n GLN 111 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1q56 n GLN 111 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 1q56 n GLN 111 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1q56 n ARG 112 N 0.00 2.39 -2.74 -1.09 1.85 -1.26 -4.98 116.66 110.83 1q56 n ARG 112 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1q56 n ARG 112 Cb 0.00 -0.80 -0.03 0.00 -1.05 0.00 0.00 32.46 30.58 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1q56 s GLU 113 N -1.52 3.92 0.19 2.89 2.12 -0.67 -1.72 118.70 123.90 1q56 s GLU 113 Ca 0.00 0.75 0.04 0.00 0.36 0.00 0.00 54.97 56.12 1q56 s GLU 113 Cb 0.00 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1q56 s GLU 113 CO 0.00 -0.95 0.25 0.20 -0.54 0.00 0.00 175.26 174.22 1q56 s GLY 114 N 1.83 1.56 0.09 -1.50 0.00 0.64 -1.59 107.32 108.34 1q56 s GLY 114 Ca 0.41 -1.17 0.06 0.00 0.00 0.00 0.00 44.72 44.01 1q56 s GLY 114 CO 0.18 -1.19 -0.15 -0.45 0.00 0.00 0.00 173.10 171.50 1q56 s SER 115 N -3.45 1.84 -0.14 1.64 0.15 -1.12 -0.38 113.70 112.24 1q56 s SER 115 Ca 0.33 -0.67 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 1q56 s SER 115 Cb -0.10 -0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.21 1q56 s SER 115 CO 0.27 -0.08 0.32 -0.22 1.20 0.00 0.00 173.24 174.73 1q56 s LEU 116 N -1.93 -0.05 -0.02 3.45 1.98 -0.79 -2.63 118.68 118.68 1q56 s LEU 116 Ca 0.02 0.72 0.02 0.00 -2.89 0.00 0.00 54.13 51.99 1q56 s LEU 116 Cb -0.09 1.00 0.01 0.00 0.66 0.00 0.00 46.19 47.77 1q56 s LEU 116 CO 0.03 -0.20 -0.06 -1.10 -1.89 0.00 0.00 176.35 173.13 1q56 s GLN 117 N 1.76 0.66 -0.68 1.98 -0.21 -1.07 0.14 119.66 122.24 1q56 s GLN 117 Ca -0.06 -0.18 -0.26 0.00 0.02 0.00 0.00 55.36 54.88 1q56 s GLN 117 Cb -0.10 -0.66 0.04 0.00 1.00 0.00 0.00 33.01 33.29 1q56 s GLN 117 CO -0.10 0.05 1.19 0.08 -2.12 0.00 0.00 175.29 174.38 1q56 s VAL 118 N 0.30 3.93 -0.59 1.09 1.01 -1.26 -2.09 120.40 122.79 1q56 s VAL 118 Ca -0.04 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1q56 s VAL 118 Cb -0.08 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1q56 s VAL 118 CO -0.00 -1.63 0.51 0.61 0.00 0.00 0.00 175.10 174.59 1q56 n GLY 119 N 5.28 0.29 2.41 4.51 0.00 0.32 -2.83 105.19 115.17 1q56 n GLY 119 Ca 0.03 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.59 -5.50 -1.05 1.61 3.02 -1.22 -4.98 115.26 106.55 1q56 n ASN 120 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1q56 n ASN 120 Cb 0.53 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q56 n GLU 121 N -2.76 2.55 -1.27 3.52 1.02 -1.13 -4.88 120.64 117.69 1q56 n GLU 121 Ca -0.22 0.00 -0.59 0.00 -0.02 0.00 0.00 57.16 56.33 1q56 n GLU 121 Cb 0.66 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.97 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 0.31 -2.32 0.62 0.00 -1.26 -4.57 120.51 110.29 1q56 n ALA 122 Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1q56 n ALA 122 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 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 6.05 4.16 -0.59 0.00 0.04 -1.26 -4.49 135.00 138.91 1q56 s PRO 123 Ca 1.19 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 63.77 1q56 s PRO 123 Cb -1.43 -3.84 0.11 0.00 0.04 0.00 0.00 34.50 29.38 1q56 s PRO 123 CO 0.64 -0.82 0.69 0.42 0.04 0.00 0.00 177.00 177.97 1q56 s ILE 124 N 3.81 4.85 0.07 0.56 1.09 0.37 -4.75 121.20 127.22 1q56 s ILE 124 Ca 0.60 -1.03 0.04 0.00 -1.10 0.00 0.00 60.65 59.16 1q56 s ILE 124 Cb -0.24 -4.48 -0.04 0.00 -1.06 0.00 0.00 42.46 36.65 1q56 s ILE 124 CO 0.19 -1.10 -0.01 0.42 -0.10 0.00 0.00 174.94 174.34 1q56 s THR 125 N 2.59 3.97 0.13 2.92 -4.23 -1.26 -1.89 115.64 117.89 1q56 s THR 125 Ca 0.11 -0.95 -0.14 0.00 -1.18 0.00 0.00 61.69 59.53 1q56 s THR 125 Cb -0.25 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.75 1q56 s THR 125 CO 0.06 0.17 0.37 -0.83 -0.54 0.00 0.00 174.62 173.85 1q56 s GLY 126 N -2.16 -0.10 0.10 3.99 0.00 0.49 -4.94 107.32 104.70 1q56 s GLY 126 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.72 1q56 s GLY 126 CO 0.16 -0.44 -0.07 -0.56 0.00 0.00 0.00 173.10 172.19 1q56 s SER 127 N -2.84 1.16 0.60 1.64 0.01 -1.26 0.24 113.70 113.25 1q56 s SER 127 Ca 0.06 -0.96 0.02 0.00 1.31 0.00 0.00 55.95 56.38 1q56 s SER 127 Cb 0.02 0.08 0.10 0.00 0.21 0.00 0.00 66.02 66.44 1q56 s SER 127 CO -0.09 -0.43 0.74 -1.54 0.41 0.00 0.00 173.24 172.33 1q56 n SER 128 N 0.10 1.23 -4.56 2.44 3.41 -0.70 -4.87 113.62 110.66 1q56 n SER 128 Ca -0.13 -1.98 -0.38 0.00 -0.26 0.00 0.00 58.87 56.11 1q56 n SER 128 Cb 0.60 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -4.39 2.52 0.44 4.33 0.04 -1.26 -4.83 135.00 131.85 1q56 s PRO 129 Ca 0.51 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 1q56 s PRO 129 Cb -0.03 -4.46 -0.10 0.00 0.04 0.00 0.00 34.50 29.95 1q56 s PRO 129 CO 0.33 -2.82 -0.23 1.47 0.04 0.00 0.00 177.00 175.80 1q56 n LEU 130 N 13.81 -2.98 0.00 -3.56 -0.00 -1.26 -2.77 117.00 120.24 1q56 n LEU 130 Ca 0.29 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.64 1q56 n LEU 130 Cb 0.52 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1q56 n LEU 130 CO 0.70 -3.49 0.00 0.61 -0.00 0.00 0.00 177.39 175.21 1q56 n GLY 131 N 1.90 2.26 6.71 1.47 0.00 -1.26 -5.03 105.19 111.24 1q56 n GLY 131 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1q56 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 n ALA 132 N 0.00 0.00 -2.84 4.61 0.00 -1.12 -4.44 120.51 116.73 1q56 n ALA 132 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1q56 n ALA 132 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1q56 n ALA 132 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q56 n THR 133 N 0.00 -0.03 -1.47 0.00 -2.24 -1.26 -5.07 114.28 104.21 1q56 n THR 133 Ca 0.00 -2.28 0.05 0.00 -2.27 0.00 0.00 64.05 59.55 1q56 n THR 133 Cb 0.00 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1q56 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q56 n GLN 134 N 0.31 -3.40 -3.70 -0.78 6.02 -1.26 -4.92 117.38 109.65 1q56 n GLN 134 Ca 0.10 2.68 -0.27 0.00 -0.01 0.00 0.00 57.00 59.50 1q56 n GLN 134 Cb 0.70 -3.55 -0.17 0.00 1.02 0.00 0.00 30.24 28.24 1q56 n GLN 134 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1q56 s LEU 135 N -5.78 1.01 0.23 1.08 2.96 -1.26 -5.06 118.68 111.86 1q56 s LEU 135 Ca 0.00 -0.80 0.07 0.00 -0.22 0.00 0.00 54.13 53.18 1q56 s LEU 135 Cb 0.00 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 1q56 s LEU 135 CO 0.00 -0.32 0.15 -1.81 -1.32 0.00 0.00 176.35 173.05 1q56 s ASP 136 N 1.92 5.37 0.16 3.68 1.11 -1.26 -4.41 116.67 123.24 1q56 s ASP 136 Ca 0.00 -0.28 0.08 0.00 0.18 0.00 0.00 52.55 52.53 1q56 s ASP 136 Cb -0.17 -1.33 -0.04 0.00 1.07 0.00 0.00 42.92 42.46 1q56 s ASP 136 CO -0.09 -0.01 -0.09 0.28 1.18 0.00 0.00 175.17 176.45 1q56 s THR 137 N -2.06 3.29 -0.34 -1.27 -1.32 -1.26 -4.88 115.64 107.80 1q56 s THR 137 Ca 0.32 -1.53 0.04 0.00 -1.21 0.00 0.00 61.69 59.30 1q56 s THR 137 Cb -0.08 -2.61 0.39 0.00 -1.51 0.00 0.00 72.50 68.69 1q56 s THR 137 CO 0.24 -0.05 1.41 -0.90 -2.21 0.00 0.00 174.62 173.11 1q56 n ASP 138 N 0.19 3.47 -1.65 8.08 5.75 -1.26 -4.82 116.55 126.31 1q56 n ASP 138 Ca -0.11 -2.77 -0.05 0.00 -0.01 0.00 0.00 54.79 51.84 1q56 n ASP 138 Cb 0.55 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 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 -0.19 0.11 3.14 6.12 0.00 -1.26 -4.84 105.19 108.27 1q56 n GLY 139 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.73 0.95 0.17 4.61 0.00 -1.26 -1.03 121.76 123.46 1q56 s ALA 140 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1q56 s ALA 140 Cb 0.00 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.18 1q56 s ALA 140 CO 0.00 0.01 0.57 -1.17 0.00 0.00 0.00 175.76 175.18 1q56 s LEU 141 N -2.00 -0.33 0.19 0.00 2.96 -0.72 -4.63 118.68 114.15 1q56 s LEU 141 Ca -0.01 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1q56 s LEU 141 Cb -0.07 2.45 -0.05 0.00 0.50 0.00 0.00 46.19 49.03 1q56 s LEU 141 CO 0.01 -0.99 -0.14 0.26 -1.32 0.00 0.00 176.35 174.16 1q56 s TRP 142 N -3.79 1.62 -0.23 5.38 0.52 -0.98 -0.76 118.94 120.71 1q56 s TRP 142 Ca 0.03 -0.61 -0.07 0.00 0.02 0.00 0.00 56.10 55.48 1q56 s TRP 142 Cb -0.01 -0.77 0.11 0.00 -1.15 0.00 0.00 33.47 31.65 1q56 s TRP 142 CO -0.10 0.30 0.47 -1.17 0.02 0.00 0.00 176.95 176.46 1q56 s LEU 143 N -3.24 -0.77 0.00 2.99 1.98 -0.82 -2.83 118.68 115.99 1q56 s LEU 143 Ca 0.21 1.04 0.00 0.00 -2.89 0.00 0.00 54.13 52.49 1q56 s LEU 143 Cb -0.00 1.55 0.00 0.00 0.66 0.00 0.00 46.19 48.39 1q56 s LEU 143 CO 0.05 -0.24 0.00 0.61 -1.89 0.00 0.00 176.35 174.89 1q56 n GLY 144 N 5.40 1.06 0.00 7.98 0.00 -0.11 -3.06 105.19 116.47 1q56 n GLY 144 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.87 0.38 3.57 -0.02 0.00 -0.84 -3.01 105.19 104.41 1q56 n GLY 145 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.89 0.42 0.62 1.61 -1.94 -1.26 -4.76 119.30 113.11 1q56 s MET 146 Ca 0.00 0.84 0.39 0.00 -1.71 0.00 0.00 55.69 55.21 1q56 s MET 146 Cb 0.00 0.27 2.13 0.00 2.01 0.00 0.00 34.83 39.24 1q56 s MET 146 CO 0.00 -0.11 2.20 1.49 -0.01 0.00 0.00 175.02 178.59 1q56 h GLU 147 N 6.80 0.00 -1.40 2.03 4.57 -1.90 -2.95 114.58 121.73 1q56 h GLU 147 Ca -0.24 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.49 1q56 h GLU 147 Cb 1.17 0.00 -0.31 0.00 -0.16 0.00 0.00 28.75 29.44 1q56 h GLU 147 CO 0.15 0.00 -0.92 0.54 -1.18 0.00 0.00 179.01 177.59 1q56 n ARG 148 N -2.93 0.74 -0.33 1.92 3.00 -1.26 -5.01 116.66 112.79 1q56 n ARG 148 Ca -0.03 -2.78 -0.01 0.00 -0.01 0.00 0.00 57.85 55.03 1q56 n ARG 148 Cb 0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 32.46 31.28 1q56 n ARG 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1q56 n LEU 149 N 1.45 3.15 0.00 0.55 7.94 -1.12 -3.88 117.00 125.09 1q56 n LEU 149 Ca 0.17 -1.49 0.12 0.00 -1.11 0.00 0.00 56.01 53.70 1q56 n LEU 149 Cb 0.56 -0.69 0.53 0.00 0.53 0.00 0.00 43.42 44.36 1q56 n LEU 149 CO 0.14 0.62 0.89 -1.54 -1.11 0.00 0.00 177.39 176.39 1q56 n SER 150 N 1.81 0.00 0.18 1.96 3.41 -1.26 -2.73 113.62 117.00 1q56 n SER 150 Ca 0.03 0.44 0.05 0.00 -0.26 0.00 0.00 58.87 59.13 1q56 n SER 150 Cb 0.32 -0.48 0.30 0.00 -0.26 0.00 0.00 64.21 64.10 1q56 n SER 150 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1q56 h VAL 151 N 0.00 0.93 -1.49 -3.33 3.04 -1.95 -3.23 116.25 110.21 1q56 h VAL 151 Ca 0.00 -1.61 0.43 0.00 -1.01 0.00 0.00 66.70 64.51 1q56 h VAL 151 Cb 0.40 1.98 -0.06 0.00 -2.01 0.00 0.00 31.29 31.60 1q56 h VAL 151 CO 0.00 0.40 1.32 0.00 -1.01 0.00 0.00 177.57 178.27 1q56 h ALA 152 N 1.60 3.41 -0.46 3.17 0.00 -1.86 -3.44 119.26 121.68 1q56 h ALA 152 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1q56 h ALA 152 Cb 0.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1q56 h ALA 152 CO 0.05 -2.08 0.00 0.72 0.00 0.00 0.00 179.25 177.94 1q56 n HIS 153 N -3.58 0.00 -0.58 0.00 8.25 -1.22 -2.75 115.22 115.34 1q56 n HIS 153 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1q56 n HIS 153 Cb 1.76 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.87 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1q56 n LYS 154 N 0.00 0.05 -0.80 -0.41 2.85 -1.26 -5.10 118.16 113.48 1q56 n LYS 154 Ca 0.00 -0.01 -0.35 0.00 -1.05 0.00 0.00 58.31 56.90 1q56 n LYS 154 Cb 0.00 -0.30 0.12 0.00 -0.65 0.00 0.00 35.03 34.19 1q56 n LYS 154 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1q56 n LEU 155 N -0.01 -2.63 -4.29 -5.58 -0.00 -1.11 -4.90 117.00 98.48 1q56 n LEU 155 Ca 0.00 -0.08 -0.30 0.00 -0.00 0.00 0.00 56.01 55.62 1q56 n LEU 155 Cb 0.14 -0.76 0.29 0.00 -0.00 0.00 0.00 43.42 43.09 1q56 n LEU 155 CO 0.00 -2.83 0.40 -2.16 -0.00 0.00 0.00 177.39 172.80 1q56 s PRO 156 N -2.85 -2.97 0.00 1.47 0.04 -1.26 -4.80 135.00 124.63 1q56 s PRO 156 Ca 0.48 0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.69 1q56 s PRO 156 Cb -0.02 -1.37 0.03 0.00 0.04 0.00 0.00 34.50 33.18 1q56 s PRO 156 CO 0.66 -4.91 0.86 1.17 0.04 0.00 0.00 177.00 174.82 1q56 n LYS 157 N -5.66 0.01 -0.36 4.56 4.81 -1.26 -3.12 118.16 117.14 1q56 n LYS 157 Ca 0.12 0.33 0.31 0.00 -0.87 0.00 0.00 58.31 58.20 1q56 n LYS 157 Cb 0.60 -1.50 0.57 0.00 0.02 0.00 0.00 35.03 34.72 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q56 h ALA 158 N 2.03 2.25 0.09 3.14 0.00 -1.87 2.14 119.26 127.03 1q56 h ALA 158 Ca 0.00 0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 1q56 h ALA 158 Cb 0.01 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1q56 h ALA 158 CO 0.00 -0.94 -1.14 1.88 0.00 0.00 0.00 179.25 179.04 1q56 h TYR 159 N 0.12 0.40 0.00 0.00 -1.99 -1.88 -1.13 116.97 112.50 1q56 h TYR 159 Ca 0.81 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 61.26 1q56 h TYR 159 Cb 2.15 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.86 1q56 h TYR 159 CO -0.01 1.20 0.00 0.45 -0.00 0.00 0.00 178.16 179.80 1q56 n SER 160 N -3.53 0.23 -3.82 3.88 2.88 0.70 -3.68 113.62 110.29 1q56 n SER 160 Ca -0.06 0.58 -0.28 0.00 -1.33 0.00 0.00 58.87 57.77 1q56 n SER 160 Cb 0.97 -0.62 -0.12 0.00 -0.75 0.00 0.00 64.21 63.69 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q56 s THR 161 N -3.16 2.33 0.96 2.46 2.01 0.27 -5.09 115.64 115.42 1q56 s THR 161 Ca 0.03 -3.73 -0.17 0.00 0.31 0.00 0.00 61.69 58.13 1q56 s THR 161 Cb 0.06 -2.56 -0.14 0.00 0.01 0.00 0.00 72.50 69.88 1q56 s THR 161 CO 0.21 -1.00 -0.66 0.61 -0.69 0.00 0.00 174.62 173.10 1q56 n GLY 162 N 2.43 -4.34 3.76 4.40 0.00 -1.23 -3.48 105.19 106.73 1q56 n GLY 162 Ca 0.18 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.03 3.66 -0.60 1.61 5.36 -1.16 -4.54 117.98 120.28 1q56 s PHE 163 Ca 0.43 1.77 0.04 0.00 -0.96 0.00 0.00 56.93 58.21 1q56 s PHE 163 Cb -0.21 -3.12 0.15 0.00 -0.34 0.00 0.00 43.02 39.51 1q56 s PHE 163 CO 0.80 -0.16 0.38 0.42 -1.46 0.00 0.00 175.22 175.20 1q56 s ILE 164 N -1.32 2.59 0.00 3.12 1.01 -1.26 -1.14 121.20 124.20 1q56 s ILE 164 Ca 0.47 -3.74 0.00 0.00 0.00 0.00 0.00 60.65 57.38 1q56 s ILE 164 Cb -0.27 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1q56 s ILE 164 CO 0.34 -0.93 0.00 0.61 0.00 0.00 0.00 174.94 174.96 1q56 n GLY 165 N 2.55 1.98 3.22 6.18 0.00 -1.17 -2.95 105.19 114.99 1q56 n GLY 165 Ca 0.14 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.99 0.72 0.03 0.00 1.01 -1.03 0.26 121.20 120.20 1q56 s ILE 167 Ca 0.06 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 59.05 1q56 s ILE 167 Cb -0.06 -1.04 0.06 0.00 0.01 0.00 0.00 42.46 41.44 1q56 s ILE 167 CO 0.02 -0.50 0.61 -0.60 0.00 0.00 0.00 174.94 174.47 1q56 s ARG 168 N -2.32 1.10 -0.39 2.79 3.52 -0.61 -3.13 118.95 119.91 1q56 s ARG 168 Ca -0.01 -0.08 -0.23 0.00 -0.13 0.00 0.00 55.73 55.27 1q56 s ARG 168 Cb -0.05 0.51 0.03 0.00 -1.56 0.00 0.00 34.95 33.88 1q56 s ARG 168 CO -0.01 -0.40 0.53 -0.25 -0.81 0.00 0.00 175.30 174.36 1q56 n ASP 169 N 0.43 -6.85 -4.15 -2.12 9.92 -1.26 -1.82 116.55 110.71 1q56 n ASP 169 Ca -0.18 0.32 -0.29 0.00 -0.53 0.00 0.00 54.79 54.10 1q56 n ASP 169 Cb 0.60 -3.55 -0.17 0.00 -0.64 0.00 0.00 41.12 37.36 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 -1.93 1.71 0.01 2.53 -7.23 -1.26 -3.70 120.40 110.53 1q56 s VAL 170 Ca 0.27 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1q56 s VAL 170 Cb -0.05 -1.49 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 1q56 s VAL 170 CO 0.75 0.48 -0.03 -0.63 -0.31 0.00 0.00 175.10 175.37 1q56 s ILE 171 N 0.40 0.20 -0.44 -0.62 1.01 0.27 -3.14 121.20 118.90 1q56 s ILE 171 Ca -0.16 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1q56 s ILE 171 Cb -0.17 -0.25 0.13 0.00 0.01 0.00 0.00 42.46 42.19 1q56 s ILE 171 CO 0.07 -0.17 0.22 -0.69 0.00 0.00 0.00 174.94 174.36 1q56 s VAL 172 N -0.65 1.59 -1.22 2.92 1.01 -1.18 -1.15 120.40 121.71 1q56 s VAL 172 Ca -0.06 -2.57 -0.01 0.00 0.00 0.00 0.00 61.98 59.35 1q56 s VAL 172 Cb -0.05 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1q56 s VAL 172 CO -0.00 -0.85 0.90 0.47 0.00 0.00 0.00 175.10 175.62 1q56 n ASP 173 N 3.62 -2.14 -2.76 3.32 8.00 -0.92 -1.89 116.55 123.78 1q56 n ASP 173 Ca 0.07 -0.69 -0.21 0.00 0.71 0.00 0.00 54.79 54.67 1q56 n ASP 173 Cb 0.35 -4.78 0.03 0.00 -0.02 0.00 0.00 41.12 36.70 1q56 n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1q56 n ARG 174 N -4.11 -4.32 -4.16 -1.24 5.12 -1.26 -5.01 116.66 101.68 1q56 n ARG 174 Ca -0.27 0.86 -0.23 0.00 -1.93 0.00 0.00 57.85 56.27 1q56 n ARG 174 Cb 0.67 -5.57 -0.07 0.00 -1.16 0.00 0.00 32.46 26.33 1q56 n ARG 174 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1q56 s GLN 175 N -5.56 2.32 5.99 5.56 -1.52 -0.79 -4.94 119.66 120.72 1q56 s GLN 175 Ca 0.26 -1.57 0.00 0.00 -1.95 0.00 0.00 55.36 52.10 1q56 s GLN 175 Cb -0.11 -2.13 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 1q56 s GLN 175 CO 0.32 0.14 0.00 -1.91 -0.25 0.00 0.00 175.29 173.59 1q56 n GLU 176 N -1.09 0.00 -0.90 2.91 0.00 -1.26 -3.10 120.64 117.20 1q56 n GLU 176 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.09 1q56 n GLU 176 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.04 1q56 n GLU 176 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1q56 n LEU 177 N 0.00 0.38 -3.18 4.31 -0.00 -1.19 -4.80 117.00 112.53 1q56 n LEU 177 Ca 0.00 0.08 -0.21 0.00 -0.00 0.00 0.00 56.01 55.88 1q56 n LEU 177 Cb 0.00 -2.08 -0.06 0.00 -0.00 0.00 0.00 43.42 41.28 1q56 n LEU 177 CO 0.00 -0.78 -0.21 1.41 -0.00 0.00 0.00 177.39 177.82 1q56 n HIS 178 N -1.63 -1.34 0.11 1.47 8.25 -1.26 -5.00 115.22 115.82 1q56 n HIS 178 Ca -0.03 -3.00 -0.13 0.00 -0.26 0.00 0.00 57.72 54.30 1q56 n HIS 178 Cb 0.41 0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.79 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 4.82 -0.84 -1.63 2.41 4.07 -1.96 -1.07 115.31 121.10 1q56 h LEU 179 Ca 0.13 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1q56 h LEU 179 Cb 0.94 0.32 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1q56 h LEU 179 CO 0.35 -0.38 0.00 0.58 -1.08 0.00 0.00 178.44 177.91 1q56 h VAL 180 N -0.51 0.00 0.07 1.22 2.07 -1.95 0.90 116.25 118.04 1q56 h VAL 180 Ca 0.03 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1q56 h VAL 180 Cb 0.54 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1q56 h VAL 180 CO -0.18 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.05 1q56 h GLU 181 N 0.00 -0.09 0.00 1.57 5.08 -1.60 -3.08 114.58 116.47 1q56 h GLU 181 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1q56 h GLU 181 Cb 0.13 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1q56 h GLU 181 CO 0.00 0.43 -1.23 -0.25 -1.00 0.00 0.00 179.01 176.96 1q56 n ASP 182 N -4.87 0.56 -0.15 1.42 8.00 -1.08 -4.07 116.55 116.37 1q56 n ASP 182 Ca -0.08 -0.31 -0.06 0.00 0.71 0.00 0.00 54.79 55.04 1q56 n ASP 182 Cb 0.28 1.09 0.10 0.00 -0.02 0.00 0.00 41.12 42.58 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q56 h ALA 183 N 2.50 0.99 -0.83 2.24 0.00 0.73 -1.83 119.26 123.06 1q56 h ALA 183 Ca 0.00 -0.29 0.24 0.00 0.00 0.00 0.00 54.91 54.86 1q56 h ALA 183 Cb 0.75 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1q56 h ALA 183 CO 0.00 0.62 0.90 -0.07 0.00 0.00 0.00 179.25 180.70 1q56 h LEU 184 N 0.83 0.00 -1.97 0.00 3.38 -1.68 1.41 115.31 117.28 1q56 h LEU 184 Ca 0.15 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1q56 h LEU 184 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1q56 h LEU 184 CO 0.03 0.00 0.40 -1.13 0.09 0.00 0.00 178.44 177.82 1q56 h ASN 185 N 0.00 0.00 -2.28 -0.43 -0.00 -1.58 -3.39 115.58 107.90 1q56 h ASN 185 Ca 0.39 0.00 -0.46 0.00 -0.00 0.00 0.00 56.30 56.23 1q56 h ASN 185 Cb 2.19 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 40.51 1q56 h ASN 185 CO -0.00 0.00 -0.36 0.21 -0.00 0.00 0.00 177.43 177.27 1q56 s ASN 186 N -4.89 6.26 0.00 1.15 3.04 0.48 -5.09 114.94 115.89 1q56 s ASN 186 Ca -0.04 0.12 0.00 0.00 0.04 0.00 0.00 52.86 52.98 1q56 s ASN 186 Cb 0.12 -1.81 0.00 0.00 -1.54 0.00 0.00 41.25 38.03 1q56 s ASN 186 CO 0.42 -0.18 0.00 -0.81 -3.04 0.00 0.00 177.10 173.49 1q56 n PRO 187 N -1.53 1.26 -1.15 0.43 -0.04 -1.26 -4.79 135.00 127.92 1q56 n PRO 187 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 1q56 n PRO 187 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.66 1.20 -2.76 0.52 -1.04 -1.26 -4.89 114.28 105.38 1q56 n THR 188 Ca 0.00 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.05 61.42 1q56 n THR 188 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.60 4.83 0.12 12.58 -1.09 -1.26 -5.09 121.20 130.69 1q56 s ILE 189 Ca 0.57 0.48 0.07 0.00 -2.23 0.00 0.00 60.65 59.54 1q56 s ILE 189 Cb -0.82 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 1q56 s ILE 189 CO 0.45 -0.64 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.60 1q56 s LEU 190 N -4.17 2.37 0.21 2.97 1.43 -1.26 -5.10 118.68 115.13 1q56 s LEU 190 Ca 0.50 -0.76 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1q56 s LEU 190 Cb -0.10 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1q56 s LEU 190 CO 0.36 -0.06 0.12 -1.00 0.23 0.00 0.00 176.35 176.01 1q56 s HIS 191 N -1.74 3.04 0.33 0.29 3.76 -1.26 -3.08 115.29 116.63 1q56 s HIS 191 Ca 0.08 -0.10 -0.26 0.00 -0.15 0.00 0.00 55.06 54.63 1q56 s HIS 191 Cb -0.07 -1.41 -0.13 0.00 1.11 0.00 0.00 32.58 32.07 1q56 s HIS 191 CO 0.04 0.53 0.87 0.00 -0.85 0.00 0.00 174.74 175.33 1q56 s SER 193 N -0.71 0.90 -0.28 0.00 0.01 -1.26 -4.88 113.70 107.47 1q56 s SER 193 Ca 0.61 -0.34 -0.00 0.00 1.31 0.00 0.00 55.95 57.53 1q56 s SER 193 Cb -0.68 -0.03 0.09 0.00 0.21 0.00 0.00 66.02 65.60 1q56 s SER 193 CO 0.59 -0.05 0.06 0.00 0.41 0.00 0.00 173.24 174.25 1q56 s ALA 194 N -0.75 1.66 0.00 1.44 0.00 -1.26 -4.99 121.76 117.86 1q56 s ALA 194 Ca -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1q56 s ALA 194 Cb -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1q56 s ALA 194 CO 0.00 -1.50 0.00 0.36 0.00 0.00 0.00 175.76 174.62