#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 0.00 -0.25 1.61 3.41 -1.26 -1.45 113.62 115.69 1q56 n SER 2 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1q56 n SER 2 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1q56 n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1q56 h GLU 3 N 0.00 -0.00 -3.02 4.33 5.08 -2.12 -3.47 114.58 115.37 1q56 h GLU 3 Ca 0.00 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 1q56 h GLU 3 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1q56 h GLU 3 CO 0.00 -0.00 -0.91 1.17 -1.00 0.00 0.00 179.01 178.26 1q56 n LYS 4 N -5.48 -2.66 -1.18 2.33 4.81 -0.53 -4.76 118.16 110.71 1q56 n LYS 4 Ca 0.09 2.10 -0.33 0.00 -0.87 0.00 0.00 58.31 59.30 1q56 n LYS 4 Cb 0.37 -3.24 0.12 0.00 0.02 0.00 0.00 35.03 32.30 1q56 n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1q56 s VAL 5 N -3.93 2.23 -0.21 3.15 1.01 -1.26 -5.01 120.40 116.38 1q56 s VAL 5 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1q56 s VAL 5 Cb 0.00 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1q56 s VAL 5 CO 0.00 -0.08 -0.15 -0.63 0.00 0.00 0.00 175.10 174.25 1q56 s ILE 6 N -2.22 2.01 0.54 2.22 1.01 -1.26 -5.11 121.20 118.39 1q56 s ILE 6 Ca 0.72 -1.21 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 1q56 s ILE 6 Cb -0.27 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1q56 s ILE 6 CO 0.50 0.25 1.18 0.27 0.00 0.00 0.00 174.94 177.14 1q56 s ILE 7 N 1.24 2.88 0.35 2.92 -0.00 -1.26 -5.02 121.20 122.31 1q56 s ILE 7 Ca -0.01 0.58 -0.03 0.00 -0.00 0.00 0.00 60.65 61.18 1q56 s ILE 7 Cb -0.16 -3.25 -0.04 0.00 -0.00 0.00 0.00 42.46 39.00 1q56 s ILE 7 CO -0.09 -0.09 0.61 -1.83 -0.00 0.00 0.00 174.94 173.54 1q56 s GLU 8 N -3.14 3.56 -0.03 0.37 -1.05 -1.26 -5.10 118.70 112.06 1q56 s GLU 8 Ca 0.72 -0.07 0.06 0.00 -0.15 0.00 0.00 54.97 55.53 1q56 s GLU 8 Cb -0.29 -2.59 -0.01 0.00 -0.44 0.00 0.00 34.13 30.81 1q56 s GLU 8 CO 0.32 0.10 -0.19 0.15 0.95 0.00 0.00 175.26 176.58 1q56 s LYS 9 N -4.09 1.74 -0.82 -4.83 1.02 -1.26 -5.08 119.74 106.42 1q56 s LYS 9 Ca 0.43 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.64 1q56 s LYS 9 Cb -0.10 -1.61 0.21 0.00 -0.52 0.00 0.00 37.83 35.82 1q56 s LYS 9 CO 0.35 0.37 0.73 0.00 -0.92 0.00 0.00 175.35 175.88 1q56 s ALA 10 N -0.29 4.07 -2.00 5.17 0.00 -1.26 -4.86 121.76 122.59 1q56 s ALA 10 Ca 0.03 -3.44 0.17 0.00 0.00 0.00 0.00 51.96 48.72 1q56 s ALA 10 Cb -0.09 -3.23 1.04 0.00 0.00 0.00 0.00 23.12 20.83 1q56 s ALA 10 CO 0.01 -2.21 1.49 0.00 0.00 0.00 0.00 175.76 175.04 1q56 n ALA 11 N 3.48 2.31 -0.95 0.00 0.00 -1.26 -4.88 120.51 119.21 1q56 n ALA 11 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1q56 n ALA 11 Cb 0.42 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1q56 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q56 n GLY 12 N 0.36 0.25 2.49 0.00 0.00 -1.26 -4.64 105.19 102.39 1q56 n GLY 12 Ca 0.13 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1q56 n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q56 n ASP 13 N 1.70 -4.31 -1.48 1.61 -0.08 -1.26 -4.65 116.55 108.08 1q56 n ASP 13 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1q56 n ASP 13 Cb 0.00 -1.89 0.02 0.00 2.34 0.00 0.00 41.12 41.59 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 1.00 -1.04 -1.81 -1.67 0.00 -1.26 -5.07 120.51 110.66 1q56 n ALA 14 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1q56 n ALA 14 Cb 0.23 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 0.02 2.05 0.17 0.00 2.12 -1.26 -4.91 118.70 116.88 1q56 s GLU 15 Ca 0.01 0.03 0.08 0.00 0.36 0.00 0.00 54.97 55.46 1q56 s GLU 15 Cb 0.06 -4.94 -0.04 0.00 0.26 0.00 0.00 34.13 29.47 1q56 s GLU 15 CO -0.02 -3.99 -0.07 0.00 -0.54 0.00 0.00 175.26 170.64 1q56 s ALA 16 N 12.61 3.02 0.03 6.30 0.00 -1.26 -4.81 121.76 137.66 1q56 s ALA 16 Ca 0.81 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1q56 s ALA 16 Cb -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1q56 s ALA 16 CO 0.04 0.49 -0.15 0.42 0.00 0.00 0.00 175.76 176.57 1q56 s ILE 17 N -1.65 3.00 -0.13 0.00 -1.09 -1.16 -4.06 121.20 116.11 1q56 s ILE 17 Ca 0.25 -1.07 -0.05 0.00 -2.23 0.00 0.00 60.65 57.55 1q56 s ILE 17 Cb -0.09 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 1q56 s ILE 17 CO 0.16 0.36 0.05 0.00 -1.23 0.00 0.00 174.94 174.28 1q56 s ALA 18 N -0.94 3.46 0.03 9.38 0.00 0.83 -2.65 121.76 131.87 1q56 s ALA 18 Ca 0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1q56 s ALA 18 Cb -0.11 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1q56 s ALA 18 CO 0.06 0.44 0.18 -0.06 0.00 0.00 0.00 175.76 176.38 1q56 s PHE 19 N -0.43 3.49 -0.88 0.00 0.40 0.14 -4.48 117.98 116.22 1q56 s PHE 19 Ca 0.09 0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.77 1q56 s PHE 19 Cb -0.12 -1.78 0.08 0.00 0.51 0.00 0.00 43.02 41.71 1q56 s PHE 19 CO 0.02 0.61 0.78 -0.40 0.70 0.00 0.00 175.22 176.93 1q56 n ASP 20 N 0.62 1.73 0.00 1.36 5.68 -1.23 -3.37 116.55 121.35 1q56 n ASP 20 Ca -0.08 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1q56 n ASP 20 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q56 n GLY 21 N 0.38 2.54 2.22 6.12 0.00 -0.64 -4.85 105.19 110.96 1q56 n GLY 21 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1q56 n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q56 n ARG 22 N -1.19 3.28 -4.48 1.61 0.63 -1.26 0.18 116.66 115.43 1q56 n ARG 22 Ca 0.00 -4.12 -0.34 0.00 -0.92 0.00 0.00 57.85 52.48 1q56 n ARG 22 Cb 0.00 -2.16 -0.14 0.00 0.45 0.00 0.00 32.46 30.61 1q56 n ARG 22 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1q56 s THR 23 N -4.62 3.24 -0.59 5.15 2.01 -1.20 -4.97 115.64 114.66 1q56 s THR 23 Ca 0.47 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1q56 s THR 23 Cb 0.40 -2.40 0.15 0.00 0.01 0.00 0.00 72.50 70.65 1q56 s THR 23 CO -0.01 0.49 0.35 -0.72 -0.69 0.00 0.00 174.62 174.05 1q56 s TYR 24 N 0.66 3.32 -0.67 4.92 -0.85 -1.26 -3.24 117.35 120.23 1q56 s TYR 24 Ca -0.05 -3.16 -0.27 0.00 -0.52 0.00 0.00 57.07 53.07 1q56 s TYR 24 Cb -0.15 -2.86 0.01 0.00 0.38 0.00 0.00 41.96 39.34 1q56 s TYR 24 CO 0.02 -0.71 1.50 -1.64 -1.52 0.00 0.00 175.55 173.20 1q56 s MET 25 N -0.57 3.01 -1.00 -3.49 -1.94 -1.07 -4.63 119.30 109.62 1q56 s MET 25 Ca 0.19 0.14 -0.23 0.00 -1.71 0.00 0.00 55.69 54.08 1q56 s MET 25 Cb -0.20 -4.24 0.04 0.00 2.01 0.00 0.00 34.83 32.44 1q56 s MET 25 CO -0.04 -2.32 1.47 -2.00 -0.01 0.00 0.00 175.02 172.12 1q56 s GLU 26 N 6.15 3.52 -0.40 2.03 2.12 -1.26 -2.75 118.70 128.12 1q56 s GLU 26 Ca 0.48 -1.05 -0.18 0.00 0.36 0.00 0.00 54.97 54.59 1q56 s GLU 26 Cb -0.10 -5.31 0.01 0.00 0.26 0.00 0.00 34.13 29.00 1q56 s GLU 26 CO 0.18 -2.27 0.48 0.71 -0.54 0.00 0.00 175.26 173.82 1q56 s TYR 27 N 5.29 3.16 0.08 5.30 1.51 -0.02 -4.78 117.35 127.88 1q56 s TYR 27 Ca 0.47 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.41 1q56 s TYR 27 Cb -0.01 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 1q56 s TYR 27 CO -0.09 -0.66 -0.10 -1.58 -1.11 0.00 0.00 175.55 172.01 1q56 s HIS 28 N 2.30 0.99 0.21 2.71 5.65 -1.26 -1.05 115.29 124.84 1q56 s HIS 28 Ca 0.15 -0.61 -0.12 0.00 0.25 0.00 0.00 55.06 54.74 1q56 s HIS 28 Cb -0.16 -0.56 -0.00 0.00 -1.18 0.00 0.00 32.58 30.68 1q56 s HIS 28 CO 0.14 -0.02 0.40 1.21 -0.65 0.00 0.00 174.74 175.83 1q56 s ASN 29 N -2.20 -0.07 -0.78 9.88 2.47 -1.12 -4.99 114.94 118.14 1q56 s ASN 29 Ca 0.01 -0.85 -0.24 0.00 0.42 0.00 0.00 52.86 52.21 1q56 s ASN 29 Cb -0.05 0.52 0.06 0.00 -1.45 0.00 0.00 41.25 40.34 1q56 s ASN 29 CO 0.00 -1.03 1.17 0.00 -3.72 0.00 0.00 177.10 173.52 1q56 s ALA 30 N -3.98 2.96 0.00 1.71 0.00 -1.26 -4.87 121.76 116.31 1q56 s ALA 30 Ca 0.19 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1q56 s ALA 30 Cb 0.01 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1q56 s ALA 30 CO 0.04 -3.11 0.00 0.28 0.00 0.00 0.00 175.76 172.97 1q56 n VAL 31 N 6.17 0.00 -4.38 0.00 0.31 -1.26 -5.07 118.33 114.10 1q56 n VAL 31 Ca 0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 1q56 n VAL 31 Cb 0.48 -0.07 -0.10 0.00 -0.91 0.00 0.00 33.84 33.24 1q56 n VAL 31 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1q56 s THR 32 N 0.00 0.70 -0.78 2.52 2.01 -1.26 -5.10 115.64 113.73 1q56 s THR 32 Ca 0.00 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.03 1q56 s THR 32 Cb 0.00 -2.62 0.20 0.00 0.01 0.00 0.00 72.50 70.09 1q56 s THR 32 CO 0.00 0.00 0.66 1.17 -0.69 0.00 0.00 174.62 175.76 1q56 n LYS 33 N -0.61 2.28 0.00 4.92 3.00 -1.26 -4.78 118.16 121.71 1q56 n LYS 33 Ca -0.01 -4.51 0.00 0.00 -0.00 0.00 0.00 58.31 53.78 1q56 n LYS 33 Cb 0.66 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 33.35 1q56 n LYS 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1q56 n SER 34 N 1.93 0.00 -4.57 3.14 3.41 -1.26 -5.05 113.62 111.22 1q56 n SER 34 Ca 0.22 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.65 1q56 n SER 34 Cb 0.36 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 1q56 n SER 34 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1q56 s GLU 35 N 0.00 1.59 0.38 4.33 -1.05 -1.26 -4.88 118.70 117.81 1q56 s GLU 35 Ca 0.00 -0.31 0.08 0.00 -0.15 0.00 0.00 54.97 54.58 1q56 s GLU 35 Cb 0.00 -4.98 -0.06 0.00 -0.44 0.00 0.00 34.13 28.65 1q56 s GLU 35 CO 0.00 -4.85 0.10 0.21 0.95 0.00 0.00 175.26 171.67 1q56 s LYS 36 N 8.14 2.15 -0.74 -4.83 2.47 -1.26 -4.82 119.74 120.85 1q56 s LYS 36 Ca 0.81 -1.82 -0.04 0.00 -1.56 0.00 0.00 55.97 53.36 1q56 s LYS 36 Cb -0.06 -1.93 0.01 0.00 -1.46 0.00 0.00 37.83 34.38 1q56 s LYS 36 CO 0.13 -0.01 0.64 0.00 0.16 0.00 0.00 175.35 176.28 1q56 n ALA 37 N -1.10 -2.67 -1.00 3.13 0.00 -1.26 -4.97 120.51 112.64 1q56 n ALA 37 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1q56 n ALA 37 Cb 0.64 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.99 0.00 -0.00 0.00 4.77 -1.26 -4.99 117.00 113.53 1q56 n LEU 38 Ca -0.16 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.89 1q56 n LEU 38 Cb 0.61 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 1q56 n LEU 38 CO 0.58 -0.62 -0.32 1.67 -1.33 0.00 0.00 177.39 177.37 1q56 n GLN 39 N -0.92 1.46 -3.75 3.23 0.00 -1.26 -4.96 117.38 111.19 1q56 n GLN 39 Ca 0.00 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.00 56.82 1q56 n GLN 39 Cb 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 30.24 28.91 1q56 n GLN 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1q56 s SER 40 N -2.95 -0.14 0.08 1.69 0.15 -1.26 -2.94 113.70 108.32 1q56 s SER 40 Ca 0.01 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1q56 s SER 40 Cb 0.10 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1q56 s SER 40 CO 0.60 -0.61 0.00 0.54 1.20 0.00 0.00 173.24 174.97 1q56 s ASN 41 N -2.02 5.06 -0.12 5.45 4.22 -1.09 -4.90 114.94 121.55 1q56 s ASN 41 Ca -0.05 -0.15 0.02 0.00 -2.14 0.00 0.00 52.86 50.54 1q56 s ASN 41 Cb -0.01 -1.23 0.01 0.00 1.28 0.00 0.00 41.25 41.31 1q56 s ASN 41 CO -0.03 0.19 -0.18 -1.00 -2.04 0.00 0.00 177.10 174.04 1q56 s HIS 42 N -1.29 2.21 -0.04 1.54 3.76 -1.26 -2.85 115.29 117.36 1q56 s HIS 42 Ca 0.25 -1.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 1q56 s HIS 42 Cb -0.12 -1.55 0.02 0.00 1.11 0.00 0.00 32.58 32.04 1q56 s HIS 42 CO 0.18 -0.51 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.43 1q56 s PHE 43 N 0.89 0.87 -0.00 1.40 0.08 -1.00 -2.14 117.98 118.08 1q56 s PHE 43 Ca -0.08 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.73 1q56 s PHE 43 Cb -0.15 -0.70 -0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1q56 s PHE 43 CO -0.01 -0.17 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.70 1q56 s GLU 44 N 0.66 0.23 0.00 0.44 2.02 0.84 -2.01 118.70 120.88 1q56 s GLU 44 Ca -0.10 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1q56 s GLU 44 Cb -0.13 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 33.89 1q56 s GLU 44 CO 0.01 0.06 0.00 1.47 0.02 0.00 0.00 175.26 176.81 1q56 n LEU 45 N 2.92 0.00 -4.50 1.80 -0.00 -0.94 0.79 117.00 117.07 1q56 n LEU 45 Ca -0.13 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.62 1q56 n LEU 45 Cb 0.59 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.91 1q56 n LEU 45 CO 0.25 0.00 -0.46 -0.44 -0.00 0.00 0.00 177.39 176.74 1q56 s SER 46 N 0.00 3.83 0.32 1.45 0.01 -1.07 -0.80 113.70 117.44 1q56 s SER 46 Ca 0.00 -0.78 -0.05 0.00 1.31 0.00 0.00 55.95 56.43 1q56 s SER 46 Cb 0.00 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1q56 s SER 46 CO 0.00 0.09 0.48 0.27 0.41 0.00 0.00 173.24 174.49 1q56 s ILE 47 N -1.87 0.00 -0.51 1.44 -4.36 -1.03 -2.04 121.20 112.83 1q56 s ILE 47 Ca 0.25 -1.54 0.04 0.00 -0.26 0.00 0.00 60.65 59.13 1q56 s ILE 47 Cb -0.08 -2.57 0.16 0.00 1.25 0.00 0.00 42.46 41.22 1q56 s ILE 47 CO 0.13 0.00 0.35 -0.75 0.24 0.00 0.00 174.94 174.92 1q56 s LYS 48 N -3.22 1.48 0.62 0.37 2.47 0.67 -1.79 119.74 120.35 1q56 s LYS 48 Ca 0.28 -2.43 -0.17 0.00 -1.56 0.00 0.00 55.97 52.09 1q56 s LYS 48 Cb -0.00 -2.29 -0.02 0.00 -1.46 0.00 0.00 37.83 34.06 1q56 s LYS 48 CO 0.17 -1.29 1.16 0.95 0.16 0.00 0.00 175.35 176.51 1q56 s THR 49 N -0.29 2.87 0.00 3.43 -4.23 -1.26 -1.50 115.64 114.65 1q56 s THR 49 Ca 0.26 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1q56 s THR 49 Cb -0.08 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1q56 s THR 49 CO -0.12 -0.18 0.05 -0.62 -0.54 0.00 0.00 174.62 173.21 1q56 n GLU 50 N -1.95 0.00 -3.69 3.99 -0.58 -0.63 -1.93 120.64 115.85 1q56 n GLU 50 Ca 0.12 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.70 1q56 n GLU 50 Cb 0.51 -0.45 -0.12 0.00 -0.57 0.00 0.00 31.44 30.80 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 s ALA 51 N 0.00 -0.72 -0.85 0.62 0.00 -1.26 -5.00 121.76 114.56 1q56 s ALA 51 Ca 0.00 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1q56 s ALA 51 Cb 0.00 -0.92 0.22 0.00 0.00 0.00 0.00 23.12 22.42 1q56 s ALA 51 CO 0.00 -0.45 1.12 0.25 0.00 0.00 0.00 175.76 176.68 1q56 n THR 52 N 4.82 1.82 -4.62 0.00 -2.24 -1.26 -4.47 114.28 108.33 1q56 n THR 52 Ca -0.15 0.55 -0.25 0.00 -2.27 0.00 0.00 64.05 61.92 1q56 n THR 52 Cb 0.52 -1.55 -0.17 0.00 -2.10 0.00 0.00 70.33 67.03 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 -3.10 1.75 0.00 -0.78 0.74 -1.24 -1.97 119.66 115.06 1q56 s GLN 53 Ca -0.00 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 54.97 1q56 s GLN 53 Cb 0.01 -1.44 0.00 0.00 1.10 0.00 0.00 33.01 32.68 1q56 s GLN 53 CO 0.04 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1q56 n GLY 54 N 3.79 3.79 3.70 2.59 0.00 -0.50 -4.71 105.19 113.84 1q56 n GLY 54 Ca -0.23 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 4.24 -0.13 0.99 0.05 0.15 0.19 118.68 124.16 1q56 s LEU 55 Ca 0.00 0.85 -0.06 0.00 0.05 0.00 0.00 54.13 54.97 1q56 s LEU 55 Cb 0.00 -2.80 -0.25 0.00 -2.05 0.00 0.00 46.19 41.09 1q56 s LEU 55 CO 0.00 -0.10 0.32 -0.38 -0.55 0.00 0.00 176.35 175.64 1q56 n ILE 56 N 4.04 1.76 -3.83 1.48 5.41 0.63 -1.94 119.36 126.90 1q56 n ILE 56 Ca -0.05 -0.65 -0.12 0.00 1.00 0.00 0.00 62.75 62.93 1q56 n ILE 56 Cb 0.51 -1.71 -0.13 0.00 -0.71 0.00 0.00 39.64 37.60 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 -7.01 1.54 -0.24 1.39 0.20 0.23 0.29 118.68 115.10 1q56 s LEU 57 Ca -0.23 0.21 -0.03 0.00 0.69 0.00 0.00 54.13 54.76 1q56 s LEU 57 Cb 0.07 0.34 0.11 0.00 -0.43 0.00 0.00 46.19 46.27 1q56 s LEU 57 CO 0.76 -0.04 0.24 0.86 -0.29 0.00 0.00 176.35 177.87 1q56 s TRP 58 N 0.15 -0.28 0.00 5.38 -0.11 0.41 0.30 118.94 124.79 1q56 s TRP 58 Ca -0.01 0.02 0.00 0.00 1.22 0.00 0.00 56.10 57.33 1q56 s TRP 58 Cb -0.02 -0.44 0.00 0.00 -1.50 0.00 0.00 33.47 31.52 1q56 s TRP 58 CO -0.00 -0.71 0.00 -1.13 -4.62 0.00 0.00 176.95 170.48 1q56 n SER 59 N 5.31 1.83 -0.13 5.86 3.41 -0.49 -2.35 113.62 127.06 1q56 n SER 59 Ca -0.05 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1q56 n SER 59 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1q56 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q56 n GLY 60 N 4.59 0.58 3.61 5.00 0.00 -1.26 -3.11 105.19 114.59 1q56 n GLY 60 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.13 -1.51 -1.49 1.61 0.00 -1.26 -4.67 118.16 110.70 1q56 n LYS 61 Ca 0.00 0.95 -0.55 0.00 0.00 0.00 0.00 58.31 58.71 1q56 n LYS 61 Cb 0.07 -3.09 -0.07 0.00 0.00 0.00 0.00 35.03 31.94 1q56 n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q56 n GLY 62 N -1.64 -0.48 0.00 3.14 0.00 -1.26 -4.92 105.19 100.03 1q56 n GLY 62 Ca -0.24 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1q56 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q56 n LEU 63 N 1.72 0.00 -0.82 0.99 0.00 -1.26 -5.05 117.00 112.59 1q56 n LEU 63 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.27 1q56 n LEU 63 Cb 0.14 0.00 0.21 0.00 0.00 0.00 0.00 43.42 43.77 1q56 n LEU 63 CO 0.60 0.00 0.68 -0.62 0.00 0.00 0.00 177.39 178.05 1q56 n GLU 64 N 0.00 2.97 0.00 1.96 1.02 -1.26 -4.76 120.64 120.58 1q56 n GLU 64 Ca 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 1q56 n GLU 64 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1q56 n GLU 64 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1q56 n ARG 65 N 0.20 0.00 -3.52 3.49 1.85 -1.26 -5.17 116.66 112.24 1q56 n ARG 65 Ca 0.16 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.89 1q56 n ARG 65 Cb 0.64 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.01 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 -0.82 -4.95 2.89 3.41 -1.26 -5.17 113.62 107.72 1q56 n SER 66 Ca 0.00 -2.53 -0.23 0.00 -0.26 0.00 0.00 58.87 55.85 1q56 n SER 66 Cb 0.00 1.65 -0.00 0.00 -0.26 0.00 0.00 64.21 65.59 1q56 n SER 66 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1q56 s ASP 67 N -2.69 6.08 0.00 4.04 1.01 -1.26 -4.96 116.67 118.88 1q56 s ASP 67 Ca 0.25 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.83 1q56 s ASP 67 Cb 0.00 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.18 1q56 s ASP 67 CO 0.18 -0.47 0.00 0.00 0.21 0.00 0.00 175.17 175.09 1q56 n TYR 68 N -1.88 0.00 -3.86 4.23 0.18 -1.13 -4.81 117.16 109.89 1q56 n TYR 68 Ca -0.02 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.66 1q56 n TYR 68 Cb 0.57 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.45 1q56 n TYR 68 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1q56 s ILE 69 N -3.00 0.12 0.21 -3.48 1.10 -1.18 -2.10 121.20 112.87 1q56 s ILE 69 Ca 0.00 -0.96 -0.01 0.00 -0.51 0.00 0.00 60.65 59.16 1q56 s ILE 69 Cb 0.00 -0.98 0.01 0.00 0.15 0.00 0.00 42.46 41.64 1q56 s ILE 69 CO 0.00 -0.53 0.30 0.00 -2.11 0.00 0.00 174.94 172.60 1q56 n ALA 70 N 0.58 -0.24 -3.55 1.50 0.00 0.27 -1.39 120.51 117.67 1q56 n ALA 70 Ca -0.18 -0.97 -0.09 0.00 0.00 0.00 0.00 53.44 52.20 1q56 n ALA 70 Cb 0.59 0.78 -0.09 0.00 0.00 0.00 0.00 19.45 20.73 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 -0.61 0.26 0.00 1.43 0.89 -1.44 118.68 119.21 1q56 s LEU 71 Ca 0.17 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1q56 s LEU 71 Cb -0.01 1.20 -0.04 0.00 0.03 0.00 0.00 46.19 47.37 1q56 s LEU 71 CO 0.12 -0.26 0.13 0.00 0.23 0.00 0.00 176.35 176.57 1q56 s ALA 72 N 2.57 1.65 -0.12 4.21 0.00 -1.13 0.23 121.76 129.18 1q56 s ALA 72 Ca 0.04 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1q56 s ALA 72 Cb -0.13 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 1q56 s ALA 72 CO -0.13 -0.51 -0.15 0.42 0.00 0.00 0.00 175.76 175.39 1q56 s ILE 73 N -3.81 2.92 0.00 0.00 1.01 0.50 -0.95 121.20 120.87 1q56 s ILE 73 Ca 0.38 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1q56 s ILE 73 Cb 0.07 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 1q56 s ILE 73 CO 0.15 0.53 0.01 -0.69 0.00 0.00 0.00 174.94 174.94 1q56 s VAL 74 N 0.29 0.04 -0.77 2.92 1.01 0.42 -1.42 120.40 122.89 1q56 s VAL 74 Ca -0.11 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1q56 s VAL 74 Cb -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1q56 s VAL 74 CO 0.06 -0.18 0.00 0.47 0.00 0.00 0.00 175.10 175.45 1q56 n ASP 75 N 2.52 -5.80 0.00 3.32 8.00 -1.07 -0.97 116.55 122.56 1q56 n ASP 75 Ca -0.16 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1q56 n ASP 75 Cb 0.58 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 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 0.47 0.83 3.03 0.44 0.00 -1.02 -4.99 105.19 103.94 1q56 n GLY 76 Ca -0.07 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 0.81 1.04 1.61 0.08 -0.14 -3.06 117.98 116.32 1q56 s PHE 77 Ca 0.00 -0.20 -0.17 0.00 0.12 0.00 0.00 56.93 56.67 1q56 s PHE 77 Cb 0.00 -0.51 0.23 0.00 -0.57 0.00 0.00 43.02 42.17 1q56 s PHE 77 CO 0.00 -0.01 1.27 0.08 -0.10 0.00 0.00 175.22 176.46 1q56 s VAL 78 N -0.40 1.88 -0.30 -0.44 1.01 -1.26 -0.43 120.40 120.46 1q56 s VAL 78 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1q56 s VAL 78 Cb -0.04 -2.86 0.18 0.00 0.00 0.00 0.00 36.38 33.66 1q56 s VAL 78 CO -0.00 0.00 1.12 0.00 0.00 0.00 0.00 175.10 176.22 1q56 s GLN 79 N -5.79 0.20 0.09 2.72 1.03 -0.13 -0.96 119.66 116.83 1q56 s GLN 79 Ca 0.74 0.40 -0.31 0.00 0.04 0.00 0.00 55.36 56.23 1q56 s GLN 79 Cb -0.05 0.14 -0.07 0.00 0.03 0.00 0.00 33.01 33.06 1q56 s GLN 79 CO 0.54 -0.05 1.39 1.41 -2.54 0.00 0.00 175.29 176.04 1q56 s MET 80 N 1.66 4.31 -0.21 9.60 -2.45 -1.12 -2.82 119.30 128.27 1q56 s MET 80 Ca -0.05 2.05 -0.02 0.00 -1.25 0.00 0.00 55.69 56.42 1q56 s MET 80 Cb -0.03 -3.32 0.06 0.00 1.25 0.00 0.00 34.83 32.79 1q56 s MET 80 CO -0.14 -0.46 0.02 1.41 1.05 0.00 0.00 175.02 176.89 1q56 s MET 81 N 1.37 0.90 -0.03 4.11 0.00 -0.52 -0.88 119.30 124.24 1q56 s MET 81 Ca 0.65 -0.62 0.02 0.00 0.00 0.00 0.00 55.69 55.73 1q56 s MET 81 Cb -0.36 -2.22 0.01 0.00 0.00 0.00 0.00 34.83 32.26 1q56 s MET 81 CO 0.30 -0.66 -0.06 1.52 0.00 0.00 0.00 175.02 176.11 1q56 s TYR 82 N 1.72 0.77 -0.58 4.11 -0.85 -1.18 0.96 117.35 122.29 1q56 s TYR 82 Ca -0.01 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 1q56 s TYR 82 Cb -0.18 -0.61 0.14 0.00 0.38 0.00 0.00 41.96 41.70 1q56 s TYR 82 CO -0.09 -0.13 0.35 0.16 -1.52 0.00 0.00 175.55 174.31 1q56 s ASP 83 N 0.53 4.60 0.00 -0.18 1.47 -0.89 -1.64 116.67 120.56 1q56 s ASP 83 Ca -0.07 -3.16 0.00 0.00 1.18 0.00 0.00 52.55 50.50 1q56 s ASP 83 Cb -0.11 -1.68 0.00 0.00 -0.34 0.00 0.00 42.92 40.79 1q56 s ASP 83 CO 0.00 -0.23 0.24 0.18 0.68 0.00 0.00 175.17 176.04 1q56 n LEU 84 N 2.95 1.22 -0.07 2.11 4.77 -1.25 -2.84 117.00 123.88 1q56 n LEU 84 Ca 0.08 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 1q56 n LEU 84 Cb 0.34 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1q56 n LEU 84 CO 0.33 -0.19 0.49 1.23 -1.33 0.00 0.00 177.39 177.91 1q56 h GLY 85 N 0.00 0.73 0.00 -0.72 0.00 -1.89 -3.38 103.07 97.82 1q56 h GLY 85 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1q56 h GLY 85 CO 0.00 0.75 0.00 -1.26 0.00 0.00 0.00 176.54 176.03 1q56 n SER 86 N -4.22 0.00 -1.21 0.19 2.88 -1.26 -5.02 113.62 104.98 1q56 n SER 86 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1q56 n SER 86 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1q56 n SER 86 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1q56 n LYS 87 N -0.96 0.00 -2.14 -1.46 4.76 -1.26 -4.51 118.16 112.59 1q56 n LYS 87 Ca 0.00 0.40 -0.37 0.00 -2.87 0.00 0.00 58.31 55.47 1q56 n LYS 87 Cb 0.00 -0.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 1q56 n LYS 87 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1q56 s PRO 88 N -0.30 3.60 -0.31 1.97 0.04 -1.26 -4.57 135.00 134.18 1q56 s PRO 88 Ca 0.00 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1q56 s PRO 88 Cb 0.00 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1q56 s PRO 88 CO 0.00 -0.71 0.20 0.54 0.04 0.00 0.00 177.00 177.07 1q56 s VAL 89 N -1.49 5.19 -0.60 -0.36 0.11 -0.65 -4.76 120.40 117.83 1q56 s VAL 89 Ca 0.66 -0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.47 1q56 s VAL 89 Cb -0.31 -3.57 0.14 0.00 -1.53 0.00 0.00 36.38 31.11 1q56 s VAL 89 CO 0.38 0.12 0.57 -0.69 -3.33 0.00 0.00 175.10 172.14 1q56 s VAL 90 N 1.72 5.25 -1.18 2.04 1.01 -1.23 -3.09 120.40 124.92 1q56 s VAL 90 Ca 0.06 -1.63 -0.10 0.00 0.00 0.00 0.00 61.98 60.31 1q56 s VAL 90 Cb -0.17 -4.38 0.22 0.00 0.00 0.00 0.00 36.38 32.06 1q56 s VAL 90 CO 0.10 -0.93 1.49 0.18 0.00 0.00 0.00 175.10 175.95 1q56 n LEU 91 N 5.12 5.91 -4.26 3.92 4.77 -0.06 -4.85 117.00 127.54 1q56 n LEU 91 Ca -0.08 -4.79 -0.28 0.00 -0.03 0.00 0.00 56.01 50.83 1q56 n LEU 91 Cb 0.42 -1.48 0.24 0.00 -2.33 0.00 0.00 43.42 40.26 1q56 n LEU 91 CO 0.51 1.23 0.18 0.54 -1.33 0.00 0.00 177.39 178.51 1q56 n ARG 92 N 3.66 -3.22 -3.20 3.23 1.74 -1.26 -2.81 116.66 114.79 1q56 n ARG 92 Ca 0.33 -0.94 -0.24 0.00 -0.77 0.00 0.00 57.85 56.22 1q56 n ARG 92 Cb 0.38 -1.87 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 1q56 n ARG 92 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q56 s SER 93 N -2.46 6.24 0.00 0.55 0.15 -0.13 -4.56 113.70 113.49 1q56 s SER 93 Ca 0.60 0.52 0.20 0.00 0.70 0.00 0.00 55.95 57.98 1q56 s SER 93 Cb -0.15 -2.02 0.49 0.00 -1.71 0.00 0.00 66.02 62.63 1q56 s SER 93 CO 0.57 -0.39 1.42 1.07 1.20 0.00 0.00 173.24 177.10 1q56 n THR 94 N -1.91 0.80 -4.20 6.45 5.66 -1.26 -4.86 114.28 114.96 1q56 n THR 94 Ca -0.03 -0.90 -0.19 0.00 -3.05 0.00 0.00 64.05 59.88 1q56 n THR 94 Cb 0.56 0.68 -0.12 0.00 -1.55 0.00 0.00 70.33 69.91 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 -1.14 1.21 0.22 1.08 1.01 -1.26 -5.07 120.40 116.45 1q56 s VAL 95 Ca 0.40 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 1q56 s VAL 95 Cb 0.22 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 1q56 s VAL 95 CO 0.29 -0.25 1.29 -2.16 0.00 0.00 0.00 175.10 174.28 1q56 s PRO 96 N -1.94 4.40 -0.04 2.72 0.04 -1.26 -4.77 135.00 134.15 1q56 s PRO 96 Ca 0.01 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.14 1q56 s PRO 96 Cb -0.09 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1q56 s PRO 96 CO 0.03 -0.21 0.01 1.51 0.04 0.00 0.00 177.00 178.37 1q56 n ILE 97 N 2.27 0.30 -0.64 0.56 0.13 -1.17 -4.75 119.36 116.05 1q56 n ILE 97 Ca 0.05 -0.17 -0.19 0.00 -1.10 0.00 0.00 62.75 61.33 1q56 n ILE 97 Cb 0.43 -0.86 -0.02 0.00 -0.84 0.00 0.00 39.64 38.35 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 -2.22 4.15 -0.10 9.51 6.94 -1.24 -4.03 115.26 128.27 1q56 n ASN 98 Ca -0.07 -2.28 0.05 0.00 -0.02 0.00 0.00 54.58 52.26 1q56 n ASN 98 Cb 0.63 -1.01 0.07 0.00 -2.36 0.00 0.00 39.78 37.12 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 4.37 1.27 -3.91 5.53 -1.04 -1.26 -4.88 114.28 114.36 1q56 n THR 99 Ca 0.38 -1.47 -0.31 0.00 -2.04 0.00 0.00 64.05 60.61 1q56 n THR 99 Cb 0.12 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1q56 n THR 99 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1q56 n ASN 100 N -0.90 -4.21 -4.06 8.00 5.15 -0.81 -4.95 115.26 113.48 1q56 n ASN 100 Ca 0.08 -0.78 -0.23 0.00 -0.60 0.00 0.00 54.58 53.06 1q56 n ASN 100 Cb 0.53 -3.40 -0.16 0.00 -0.53 0.00 0.00 39.78 36.22 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1q56 s HIS 101 N -3.22 1.26 -0.25 1.20 3.76 -1.26 -4.92 115.29 111.86 1q56 s HIS 101 Ca 0.65 -0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 1q56 s HIS 101 Cb -0.34 -0.87 -0.07 0.00 1.11 0.00 0.00 32.58 32.42 1q56 s HIS 101 CO 0.79 -0.12 2.21 0.91 -0.85 0.00 0.00 174.74 177.68 1q56 n TRP 102 N 3.22 1.87 -3.89 1.40 7.02 -1.24 -4.50 117.44 121.32 1q56 n TRP 102 Ca -0.18 -0.01 -0.24 0.00 -1.02 0.00 0.00 57.50 56.05 1q56 n TRP 102 Cb 0.54 -2.67 -0.04 0.00 -2.42 0.00 0.00 31.31 26.71 1q56 n TRP 102 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1q56 s THR 103 N 7.96 2.27 -0.12 -0.99 2.01 -0.74 -4.88 115.64 121.16 1q56 s THR 103 Ca 1.03 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1q56 s THR 103 Cb -0.49 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 1q56 s THR 103 CO 0.39 0.00 -0.19 -2.28 -0.69 0.00 0.00 174.62 171.85 1q56 s HIS 104 N -2.60 2.68 0.09 4.92 2.46 -1.26 -2.46 115.29 119.12 1q56 s HIS 104 Ca 0.41 -0.89 0.09 0.00 0.47 0.00 0.00 55.06 55.15 1q56 s HIS 104 Cb 0.00 -1.78 -0.03 0.00 -0.13 0.00 0.00 32.58 30.64 1q56 s HIS 104 CO 0.24 -0.34 -0.24 0.42 -2.47 0.00 0.00 174.74 172.34 1q56 s ILE 105 N 0.38 2.00 0.29 0.89 1.01 0.02 0.19 121.20 125.98 1q56 s ILE 105 Ca -0.15 -1.53 -0.11 0.00 0.00 0.00 0.00 60.65 58.86 1q56 s ILE 105 Cb -0.17 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1q56 s ILE 105 CO 0.07 0.13 0.53 -0.75 0.00 0.00 0.00 174.94 174.93 1q56 s LYS 106 N -1.69 1.74 -0.30 2.79 2.36 0.77 -2.21 119.74 123.19 1q56 s LYS 106 Ca 0.11 -1.38 -0.11 0.00 -2.55 0.00 0.00 55.97 52.04 1q56 s LYS 106 Cb -0.10 0.49 0.16 0.00 -1.05 0.00 0.00 37.83 37.34 1q56 s LYS 106 CO 0.04 -0.74 0.82 0.00 1.55 0.00 0.00 175.35 177.01 1q56 s ALA 107 N -3.56 -2.51 -0.27 3.13 0.00 -0.85 0.12 121.76 117.82 1q56 s ALA 107 Ca 0.23 2.03 0.02 0.00 0.00 0.00 0.00 51.96 54.24 1q56 s ALA 107 Cb -0.02 -2.04 0.06 0.00 0.00 0.00 0.00 23.12 21.12 1q56 s ALA 107 CO 0.12 -1.08 -0.09 1.52 0.00 0.00 0.00 175.76 176.22 1q56 s TYR 108 N 2.73 3.28 0.33 0.00 1.13 -0.94 -2.38 117.35 121.50 1q56 s TYR 108 Ca 0.01 -2.29 0.07 0.00 -1.41 0.00 0.00 57.07 53.45 1q56 s TYR 108 Cb -0.10 -1.97 -0.03 0.00 -1.10 0.00 0.00 41.96 38.76 1q56 s TYR 108 CO -0.18 -0.87 0.27 -0.98 -2.51 0.00 0.00 175.55 171.28 1q56 s ARG 109 N 1.11 2.72 -0.17 -3.49 1.04 -1.13 -2.51 118.95 116.53 1q56 s ARG 109 Ca -0.08 -1.28 -0.04 0.00 -1.04 0.00 0.00 55.73 53.29 1q56 s ARG 109 Cb -0.20 -2.47 0.08 0.00 -2.04 0.00 0.00 34.95 30.32 1q56 s ARG 109 CO -0.05 0.14 0.22 0.08 -0.04 0.00 0.00 175.30 175.65 1q56 s VAL 110 N -2.29 -0.33 0.00 4.99 1.01 0.38 -2.66 120.40 121.50 1q56 s VAL 110 Ca 0.40 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1q56 s VAL 110 Cb -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1q56 s VAL 110 CO 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1q56 n GLN 111 N 5.33 0.00 0.00 2.72 6.02 -1.15 -0.98 117.38 129.32 1q56 n GLN 111 Ca -0.05 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.08 1q56 n GLN 111 Cb 0.50 0.00 0.69 0.00 1.02 0.00 0.00 30.24 32.45 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 14.00 1.18 -3.82 -1.09 0.00 -1.26 -4.75 116.66 120.92 1q56 n ARG 112 Ca 0.00 -0.44 -0.36 0.00 -0.00 0.00 0.00 57.85 57.05 1q56 n ARG 112 Cb 0.00 -1.49 -0.13 0.00 -0.00 0.00 0.00 32.46 30.84 1q56 n ARG 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1q56 s GLU 113 N -2.12 3.62 0.24 2.89 2.12 -0.15 0.20 118.70 125.49 1q56 s GLU 113 Ca 0.39 -0.50 0.12 0.00 0.36 0.00 0.00 54.97 55.34 1q56 s GLU 113 Cb 0.21 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1q56 s GLU 113 CO 0.38 -0.16 -0.21 0.20 -0.54 0.00 0.00 175.26 174.94 1q56 s GLY 114 N 1.49 1.80 0.06 -1.50 0.00 0.24 0.14 107.32 109.57 1q56 s GLY 114 Ca 0.06 -1.76 0.04 0.00 0.00 0.00 0.00 44.72 43.05 1q56 s GLY 114 CO 0.02 -1.82 -0.11 -0.45 0.00 0.00 0.00 173.10 170.74 1q56 s SER 115 N -3.15 1.30 0.17 1.64 0.15 -1.04 -1.30 113.70 111.48 1q56 s SER 115 Ca 0.26 -0.62 0.09 0.00 0.70 0.00 0.00 55.95 56.37 1q56 s SER 115 Cb -0.06 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1q56 s SER 115 CO 0.13 -0.16 -0.08 -0.22 1.20 0.00 0.00 173.24 174.11 1q56 s LEU 116 N -1.80 3.02 -0.47 3.45 1.98 -0.23 -2.20 118.68 122.43 1q56 s LEU 116 Ca -0.04 -0.54 0.03 0.00 -2.89 0.00 0.00 54.13 50.69 1q56 s LEU 116 Cb -0.09 -1.71 0.14 0.00 0.66 0.00 0.00 46.19 45.20 1q56 s LEU 116 CO 0.01 0.11 0.29 -1.58 -1.89 0.00 0.00 176.35 173.28 1q56 s GLN 117 N -2.80 1.38 -1.22 1.98 2.00 0.31 -2.62 119.66 118.69 1q56 s GLN 117 Ca 0.25 -2.19 -0.19 0.00 -2.00 0.00 0.00 55.36 51.23 1q56 s GLN 117 Cb -0.09 -2.33 0.07 0.00 0.80 0.00 0.00 33.01 31.46 1q56 s GLN 117 CO 0.15 -1.21 1.64 0.08 -0.50 0.00 0.00 175.29 175.46 1q56 s VAL 118 N 0.08 4.12 -0.69 1.34 1.01 -1.26 -0.16 120.40 124.84 1q56 s VAL 118 Ca 0.21 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 1q56 s VAL 118 Cb -0.18 -5.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.01 1q56 s VAL 118 CO -0.05 -1.98 0.61 0.61 0.00 0.00 0.00 175.10 174.29 1q56 n GLY 119 N 5.73 -0.53 1.71 4.51 0.00 0.52 -2.88 105.19 114.25 1q56 n GLY 119 Ca 0.44 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1q56 n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q56 n ASN 120 N -2.57 -0.50 -3.08 1.61 0.23 -1.26 -4.86 115.26 104.83 1q56 n ASN 120 Ca -0.04 0.25 -0.13 0.00 -0.53 0.00 0.00 54.58 54.13 1q56 n ASN 120 Cb 0.57 -0.72 0.08 0.00 -2.08 0.00 0.00 39.78 37.63 1q56 n ASN 120 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1q56 n GLU 121 N -1.70 -0.20 -1.45 -3.83 0.00 -1.14 -4.83 120.64 107.49 1q56 n GLU 121 Ca 0.00 -1.16 -0.46 0.00 0.00 0.00 0.00 57.16 55.53 1q56 n GLU 121 Cb 0.25 -0.50 -0.10 0.00 0.00 0.00 0.00 31.44 31.09 1q56 n GLU 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1q56 n ALA 122 N -3.19 0.59 -1.97 -1.84 0.00 -1.26 -4.68 120.51 108.15 1q56 n ALA 122 Ca -0.09 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1q56 n ALA 122 Cb 0.29 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 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 7.54 4.23 -0.45 0.00 0.04 -1.26 -4.61 135.00 140.48 1q56 s PRO 123 Ca 1.19 2.31 -0.21 0.00 0.04 0.00 0.00 61.00 64.33 1q56 s PRO 123 Cb -1.00 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 30.40 1q56 s PRO 123 CO 0.48 -0.57 0.69 0.42 0.04 0.00 0.00 177.00 178.06 1q56 s ILE 124 N 1.08 4.77 0.41 0.56 1.09 -1.08 -4.81 121.20 123.22 1q56 s ILE 124 Ca 0.69 0.13 0.08 0.00 -1.10 0.00 0.00 60.65 60.44 1q56 s ILE 124 Cb -0.43 -4.26 -0.02 0.00 -1.06 0.00 0.00 42.46 36.69 1q56 s ILE 124 CO 0.32 -0.67 0.35 0.42 -0.10 0.00 0.00 174.94 175.25 1q56 s THR 125 N 2.97 2.73 0.00 2.92 -4.23 -1.26 -1.07 115.64 117.69 1q56 s THR 125 Ca 0.24 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1q56 s THR 125 Cb -0.14 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1q56 s THR 125 CO 0.19 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1q56 n GLY 126 N -1.49 1.89 3.33 3.99 0.00 -0.42 -4.92 105.19 107.57 1q56 n GLY 126 Ca 0.02 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 1.43 0.52 1.61 0.01 -1.25 0.82 113.70 116.84 1q56 s SER 127 Ca 0.00 -1.35 0.04 0.00 1.31 0.00 0.00 55.95 55.96 1q56 s SER 127 Cb 0.00 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.35 1q56 s SER 127 CO 0.00 -0.67 0.26 -0.44 0.41 0.00 0.00 173.24 172.79 1q56 s SER 128 N -3.32 4.46 -0.81 2.44 0.01 0.54 -4.90 113.70 112.12 1q56 s SER 128 Ca 0.35 -1.34 -0.25 0.00 1.31 0.00 0.00 55.95 56.02 1q56 s SER 128 Cb 0.08 0.34 -0.07 0.00 0.21 0.00 0.00 66.02 66.57 1q56 s SER 128 CO 0.12 -0.96 2.08 -2.16 0.41 0.00 0.00 173.24 172.73 1q56 s PRO 129 N -4.12 2.29 0.73 12.44 0.04 -1.26 -4.83 135.00 140.30 1q56 s PRO 129 Ca 0.26 0.12 -0.08 0.00 0.04 0.00 0.00 61.00 61.34 1q56 s PRO 129 Cb -0.00 -4.88 0.12 0.00 0.04 0.00 0.00 34.50 29.78 1q56 s PRO 129 CO 0.16 -3.57 0.28 1.47 0.04 0.00 0.00 177.00 175.38 1q56 n LEU 130 N 15.15 0.00 0.00 -3.56 -0.00 -1.26 -4.68 117.00 122.65 1q56 n LEU 130 Ca 0.39 -0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1q56 n LEU 130 Cb 0.47 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1q56 n LEU 130 CO 0.60 -2.14 0.00 0.61 -0.00 0.00 0.00 177.39 176.47 1q56 n GLY 131 N -0.33 0.44 3.23 1.47 0.00 -1.26 -4.94 105.19 103.80 1q56 n GLY 131 Ca 0.04 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 3.28 -0.19 4.61 0.00 -1.26 -4.95 121.76 123.25 1q56 s ALA 132 Ca 0.00 -2.31 -0.00 0.00 0.00 0.00 0.00 51.96 49.65 1q56 s ALA 132 Cb 0.00 -2.64 0.15 0.00 0.00 0.00 0.00 23.12 20.63 1q56 s ALA 132 CO 0.00 -1.73 1.86 -2.37 0.00 0.00 0.00 175.76 173.52 1q56 n THR 133 N 4.86 2.33 -3.18 0.00 5.66 -1.26 -4.37 114.28 118.32 1q56 n THR 133 Ca -0.08 -1.10 -0.21 0.00 -3.05 0.00 0.00 64.05 59.60 1q56 n THR 133 Cb 0.42 -1.28 -0.05 0.00 -1.55 0.00 0.00 70.33 67.87 1q56 n THR 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q56 n GLN 134 N 0.60 1.20 -3.66 1.09 10.64 -1.26 -5.09 117.38 120.91 1q56 n GLN 134 Ca 0.19 -3.55 -0.36 0.00 -1.83 0.00 0.00 57.00 51.45 1q56 n GLN 134 Cb 0.61 -1.63 -0.07 0.00 -0.86 0.00 0.00 30.24 28.29 1q56 n GLN 134 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1q56 s LEU 135 N -2.14 4.24 0.43 2.61 1.98 -1.26 -5.09 118.68 119.46 1q56 s LEU 135 Ca 0.39 0.38 0.03 0.00 -2.89 0.00 0.00 54.13 52.05 1q56 s LEU 135 Cb 0.27 -2.22 -0.04 0.00 0.66 0.00 0.00 46.19 44.87 1q56 s LEU 135 CO -0.09 0.17 0.05 -1.81 -1.89 0.00 0.00 176.35 172.78 1q56 s ASP 136 N 0.26 3.38 -0.00 3.68 1.11 -1.26 -4.48 116.67 119.36 1q56 s ASP 136 Ca 0.12 -1.57 0.02 0.00 0.18 0.00 0.00 52.55 51.31 1q56 s ASP 136 Cb -0.12 0.26 -0.01 0.00 1.07 0.00 0.00 42.92 44.12 1q56 s ASP 136 CO 0.01 -0.77 -0.06 0.42 1.18 0.00 0.00 175.17 175.96 1q56 s THR 137 N -3.02 0.46 -0.25 -1.27 -4.23 -1.26 -4.87 115.64 101.20 1q56 s THR 137 Ca 0.21 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1q56 s THR 137 Cb 0.05 -0.40 0.23 0.00 1.34 0.00 0.00 72.50 73.72 1q56 s THR 137 CO 0.11 0.09 1.75 -0.90 -0.54 0.00 0.00 174.62 175.13 1q56 n ASP 138 N 2.84 5.04 -1.85 3.99 5.75 -1.26 -4.79 116.55 126.27 1q56 n ASP 138 Ca -0.14 -2.86 -0.03 0.00 -0.01 0.00 0.00 54.79 51.75 1q56 n ASP 138 Cb 0.58 -0.88 -0.01 0.00 -1.03 0.00 0.00 41.12 39.78 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 0.18 -0.15 3.65 6.12 0.00 -1.26 -4.86 105.19 108.86 1q56 n GLY 139 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 3.26 -0.00 4.61 0.00 -1.26 -2.79 121.76 123.85 1q56 s ALA 140 Ca 0.00 -2.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.63 1q56 s ALA 140 Cb 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.91 1q56 s ALA 140 CO 0.00 -0.00 0.68 -1.17 0.00 0.00 0.00 175.76 175.27 1q56 s LEU 141 N -3.75 -0.61 -0.06 0.00 2.96 -0.21 -4.39 118.68 112.62 1q56 s LEU 141 Ca 0.36 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 1q56 s LEU 141 Cb 0.02 2.51 0.02 0.00 0.50 0.00 0.00 46.19 49.24 1q56 s LEU 141 CO 0.20 -0.69 -0.04 0.26 -1.32 0.00 0.00 176.35 174.76 1q56 s TRP 142 N -1.88 0.83 -0.05 5.38 0.52 -0.99 -0.84 118.94 121.90 1q56 s TRP 142 Ca -0.07 -0.26 -0.03 0.00 0.02 0.00 0.00 56.10 55.76 1q56 s TRP 142 Cb -0.00 -0.77 0.02 0.00 -1.15 0.00 0.00 33.47 31.56 1q56 s TRP 142 CO 0.03 -0.26 0.12 -1.17 0.02 0.00 0.00 176.95 175.69 1q56 s LEU 143 N 1.27 1.24 0.00 2.99 2.96 -1.11 0.15 118.68 126.18 1q56 s LEU 143 Ca -0.05 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1q56 s LEU 143 Cb -0.14 0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.90 1q56 s LEU 143 CO -0.02 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 1q56 n GLY 144 N 3.52 1.61 0.00 7.98 0.00 0.85 -2.59 105.19 116.56 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 -1.17 -0.17 3.79 -0.02 0.00 -0.82 -2.71 105.19 104.09 1q56 n GLY 145 Ca 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 0.92 0.00 1.61 -1.94 -1.26 -4.68 119.30 113.95 1q56 s MET 146 Ca 0.00 -0.55 0.23 0.00 -1.71 0.00 0.00 55.69 53.66 1q56 s MET 146 Cb 0.00 0.29 0.10 0.00 2.01 0.00 0.00 34.83 37.23 1q56 s MET 146 CO 0.00 -0.43 1.13 0.39 -0.01 0.00 0.00 175.02 176.11 1q56 n GLU 147 N -0.60 0.19 -0.98 2.03 1.02 -1.26 -4.44 120.64 116.59 1q56 n GLU 147 Ca -0.04 -0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 56.94 1q56 n GLU 147 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1q56 n GLU 147 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1q56 n ARG 148 N -1.29 0.00 -0.74 3.49 -4.01 -1.26 -4.98 116.66 107.88 1q56 n ARG 148 Ca 0.06 -1.08 -0.23 0.00 -1.04 0.00 0.00 57.85 55.56 1q56 n ARG 148 Cb 0.35 0.16 -0.02 0.00 -3.04 0.00 0.00 32.46 29.91 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 0.13 4.58 -3.55 2.89 4.77 -1.26 -4.65 117.00 119.91 1q56 n LEU 149 Ca -0.11 -2.79 -0.40 0.00 -0.03 0.00 0.00 56.01 52.68 1q56 n LEU 149 Cb 0.78 -1.06 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1q56 n LEU 149 CO -0.07 0.41 2.90 -1.54 -1.33 0.00 0.00 177.39 177.76 1q56 n SER 150 N 4.59 5.58 0.00 -1.43 3.41 -1.26 -4.04 113.62 120.48 1q56 n SER 150 Ca 0.42 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1q56 n SER 150 Cb 0.15 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.54 1q56 n SER 150 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1q56 n VAL 151 N 4.57 0.00 -2.64 -3.33 3.14 -1.26 -4.98 118.33 113.83 1q56 n VAL 151 Ca 0.61 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.90 1q56 n VAL 151 Cb 0.32 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.10 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 -1.39 -0.93 0.00 1.55 0.00 -1.26 -4.39 120.51 114.10 1q56 n ALA 152 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1q56 n ALA 152 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1q56 n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1q56 n HIS 153 N -3.05 0.00 -1.47 0.00 1.44 -1.26 -1.15 115.22 109.73 1q56 n HIS 153 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 1q56 n HIS 153 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 1q56 n HIS 153 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1q56 n LYS 154 N 0.00 0.00 -1.63 -1.40 2.85 -1.26 -5.12 118.16 111.60 1q56 n LYS 154 Ca 0.00 -0.31 -0.30 0.00 -1.05 0.00 0.00 58.31 56.65 1q56 n LYS 154 Cb 0.00 -0.29 0.22 0.00 -0.65 0.00 0.00 35.03 34.31 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1q56 s LEU 155 N 0.00 1.98 0.00 -5.58 2.34 -0.30 -5.07 118.68 112.05 1q56 s LEU 155 Ca 0.00 0.30 0.00 0.00 0.06 0.00 0.00 54.13 54.49 1q56 s LEU 155 Cb 0.00 -2.16 0.00 0.00 -0.56 0.00 0.00 46.19 43.47 1q56 s LEU 155 CO 0.00 -3.37 0.00 -0.81 -1.06 0.00 0.00 176.35 171.11 1q56 n PRO 156 N -4.20 0.77 0.00 1.48 -0.04 -1.26 -4.78 135.00 126.96 1q56 n PRO 156 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1q56 n PRO 156 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.19 0.00 -0.24 0.54 4.01 -1.26 -3.23 118.16 117.79 1q56 n LYS 157 Ca 0.00 0.27 0.18 0.00 -0.51 0.00 0.00 58.31 58.25 1q56 n LYS 157 Cb 0.00 -1.70 0.34 0.00 -0.51 0.00 0.00 35.03 33.15 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q56 n ALA 158 N -1.26 0.59 0.06 7.82 0.00 -1.26 0.28 120.51 126.74 1q56 n ALA 158 Ca 0.00 0.77 -0.13 0.00 0.00 0.00 0.00 53.44 54.08 1q56 n ALA 158 Cb 0.20 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 0.30 0.00 0.00 -1.99 -1.88 0.49 116.97 113.89 1q56 h TYR 159 Ca 0.55 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 61.06 1q56 h TYR 159 Cb 1.33 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.05 1q56 h TYR 159 CO -0.17 1.21 0.00 0.43 -0.00 0.00 0.00 178.16 179.63 1q56 n SER 160 N -3.40 0.20 -3.77 3.88 7.64 0.81 -3.98 113.62 115.01 1q56 n SER 160 Ca -0.10 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.04 1q56 n SER 160 Cb 1.01 -0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 63.47 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1q56 s THR 161 N -3.12 1.28 0.93 0.44 2.01 0.19 -5.03 115.64 112.34 1q56 s THR 161 Ca 0.04 -1.95 -0.12 0.00 0.31 0.00 0.00 61.69 59.97 1q56 s THR 161 Cb 0.07 -1.94 0.15 0.00 0.01 0.00 0.00 72.50 70.79 1q56 s THR 161 CO 0.24 -0.74 0.28 0.61 -0.69 0.00 0.00 174.62 174.31 1q56 n GLY 162 N 4.30 -2.28 3.77 4.40 0.00 0.48 -3.66 105.19 112.19 1q56 n GLY 162 Ca 0.02 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.06 2.87 -0.55 1.61 5.36 -1.10 -4.15 117.98 119.97 1q56 s PHE 163 Ca 0.30 1.51 0.04 0.00 -0.96 0.00 0.00 56.93 57.82 1q56 s PHE 163 Cb -0.05 -3.46 0.15 0.00 -0.34 0.00 0.00 43.02 39.32 1q56 s PHE 163 CO 0.28 -1.65 0.33 0.42 -1.46 0.00 0.00 175.22 173.15 1q56 s ILE 164 N -1.45 2.32 0.00 3.12 1.01 -1.26 -1.62 121.20 123.32 1q56 s ILE 164 Ca 0.61 -3.43 0.00 0.00 0.00 0.00 0.00 60.65 57.84 1q56 s ILE 164 Cb -0.31 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1q56 s ILE 164 CO 0.39 -0.91 0.00 0.61 0.00 0.00 0.00 174.94 175.03 1q56 n GLY 165 N 2.83 1.59 3.11 6.18 0.00 -1.22 -1.60 105.19 116.08 1q56 n GLY 165 Ca 0.12 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.66 1.44 -0.19 0.00 1.01 -1.09 0.24 121.20 121.95 1q56 s ILE 167 Ca 0.02 -1.96 -0.28 0.00 0.00 0.00 0.00 60.65 58.44 1q56 s ILE 167 Cb -0.07 -1.78 0.10 0.00 0.01 0.00 0.00 42.46 40.72 1q56 s ILE 167 CO 0.01 -0.54 0.86 -0.60 0.00 0.00 0.00 174.94 174.66 1q56 s ARG 168 N -3.22 0.74 -0.27 2.79 3.52 -0.86 -3.15 118.95 118.49 1q56 s ARG 168 Ca 0.15 0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 56.25 1q56 s ARG 168 Cb -0.02 0.36 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1q56 s ARG 168 CO 0.04 -0.16 0.03 -0.25 -0.81 0.00 0.00 175.30 174.15 1q56 n ASP 169 N 1.68 -6.93 -3.98 -2.12 8.00 -1.26 -2.61 116.55 109.33 1q56 n ASP 169 Ca -0.14 1.36 -0.20 0.00 0.71 0.00 0.00 54.79 56.53 1q56 n ASP 169 Cb 0.56 -5.07 -0.15 0.00 -0.02 0.00 0.00 41.12 36.44 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q56 s VAL 170 N -1.45 0.71 0.02 2.53 -7.23 -1.26 -3.07 120.40 110.65 1q56 s VAL 170 Ca -0.04 -0.31 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1q56 s VAL 170 Cb 0.00 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 1q56 s VAL 170 CO 0.73 0.23 0.03 -0.63 -0.31 0.00 0.00 175.10 175.15 1q56 s ILE 171 N 0.27 0.12 -0.15 -0.62 1.01 0.24 -3.20 121.20 118.86 1q56 s ILE 171 Ca -0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1q56 s ILE 171 Cb -0.09 -0.57 0.05 0.00 0.01 0.00 0.00 42.46 41.86 1q56 s ILE 171 CO 0.00 -0.56 0.01 -0.69 0.00 0.00 0.00 174.94 173.71 1q56 s VAL 172 N -1.98 0.56 -1.46 2.92 1.01 -1.12 -0.11 120.40 120.22 1q56 s VAL 172 Ca -0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1q56 s VAL 172 Cb -0.06 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.45 1q56 s VAL 172 CO -0.02 -0.02 0.87 0.47 0.00 0.00 0.00 175.10 176.40 1q56 n ASP 173 N 5.06 -5.50 -0.81 3.32 9.92 -0.91 -0.83 116.55 126.79 1q56 n ASP 173 Ca -0.09 -0.52 -0.07 0.00 -0.53 0.00 0.00 54.79 53.58 1q56 n ASP 173 Cb 0.48 -4.40 -0.00 0.00 -0.64 0.00 0.00 41.12 36.56 1q56 n ASP 173 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1q56 n ARG 174 N -4.47 -0.58 -3.39 -1.24 3.00 -1.26 -5.00 116.66 103.73 1q56 n ARG 174 Ca -0.02 0.34 -0.43 0.00 -0.00 0.00 0.00 57.85 57.75 1q56 n ARG 174 Cb 0.56 -4.23 -0.09 0.00 0.00 0.00 0.00 32.46 28.70 1q56 n ARG 174 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1q56 s GLN 175 N -4.36 3.13 -0.67 -0.14 -1.52 -0.01 -5.02 119.66 111.07 1q56 s GLN 175 Ca 0.00 -0.80 -0.26 0.00 -1.95 0.00 0.00 55.36 52.35 1q56 s GLN 175 Cb -0.00 -3.94 0.04 0.00 -0.22 0.00 0.00 33.01 28.88 1q56 s GLN 175 CO 0.00 -0.76 1.18 -1.21 -0.25 0.00 0.00 175.29 174.25 1q56 s GLU 176 N 1.95 3.28 -0.88 2.91 2.02 -1.26 -2.79 118.70 123.92 1q56 s GLU 176 Ca 0.09 -0.19 -0.21 0.00 0.02 0.00 0.00 54.97 54.68 1q56 s GLU 176 Cb -0.18 -4.13 0.09 0.00 0.10 0.00 0.00 34.13 30.01 1q56 s GLU 176 CO 0.12 -1.92 1.18 -0.51 0.02 0.00 0.00 175.26 174.15 1q56 s LEU 177 N 5.14 4.41 -0.49 1.80 2.01 -1.20 -4.95 118.68 125.40 1q56 s LEU 177 Ca 0.35 -1.57 -0.44 0.00 0.01 0.00 0.00 54.13 52.47 1q56 s LEU 177 Cb -0.09 -2.46 -0.19 0.00 0.01 0.00 0.00 46.19 43.46 1q56 s LEU 177 CO 0.17 -1.30 1.96 1.41 1.01 0.00 0.00 176.35 179.61 1q56 n HIS 178 N 7.55 1.39 -0.38 0.29 8.25 -1.26 -4.77 115.22 126.29 1q56 n HIS 178 Ca 0.19 0.86 -0.05 0.00 -0.26 0.00 0.00 57.72 58.46 1q56 n HIS 178 Cb 0.49 -2.29 -0.02 0.00 1.12 0.00 0.00 29.99 29.29 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 7.85 -1.72 0.00 2.41 3.38 -1.97 -1.87 115.31 123.39 1q56 h LEU 179 Ca -0.22 0.31 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1q56 h LEU 179 Cb 1.40 0.83 -0.01 0.00 0.09 0.00 0.00 40.66 42.97 1q56 h LEU 179 CO 1.05 -0.27 -0.67 0.58 0.09 0.00 0.00 178.44 179.21 1q56 h VAL 180 N -0.02 0.29 0.55 1.22 2.07 -1.97 -2.70 116.25 115.69 1q56 h VAL 180 Ca 0.26 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1q56 h VAL 180 Cb 0.53 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1q56 h VAL 180 CO -0.94 0.17 -0.26 -0.33 0.02 0.00 0.00 177.57 176.22 1q56 h GLU 181 N 0.00 -0.71 0.00 1.57 5.08 -1.70 -2.71 114.58 116.11 1q56 h GLU 181 Ca -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1q56 h GLU 181 Cb 1.20 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1q56 h GLU 181 CO 0.02 -0.43 -0.45 -0.44 -1.00 0.00 0.00 179.01 176.71 1q56 h ASP 182 N -0.84 0.00 -0.42 1.42 5.19 -1.70 -3.30 116.42 116.77 1q56 h ASP 182 Ca -0.08 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.26 1q56 h ASP 182 Cb 0.61 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1q56 h ASP 182 CO 0.12 0.01 0.07 0.00 -3.12 0.00 0.00 179.24 176.32 1q56 h ALA 183 N 2.05 1.19 -0.19 3.45 0.00 -1.42 -1.55 119.26 122.79 1q56 h ALA 183 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1q56 h ALA 183 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1q56 h ALA 183 CO 0.00 0.54 0.54 -0.07 0.00 0.00 0.00 179.25 180.26 1q56 h LEU 184 N 0.74 0.00 -2.23 0.00 3.38 -1.56 0.62 115.31 116.27 1q56 h LEU 184 Ca 0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1q56 h LEU 184 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1q56 h LEU 184 CO 0.01 0.00 0.26 -1.13 0.09 0.00 0.00 178.44 177.67 1q56 h ASN 185 N 0.00 0.00 -3.03 -0.43 -0.73 -1.51 -3.39 115.58 106.49 1q56 h ASN 185 Ca 0.09 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.70 1q56 h ASN 185 Cb 1.16 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.73 1q56 h ASN 185 CO -0.00 0.00 -0.31 0.21 -0.37 0.00 0.00 177.43 176.96 1q56 s ASN 186 N -4.74 6.44 0.00 1.15 2.47 0.22 -4.94 114.94 115.53 1q56 s ASN 186 Ca -0.04 0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.76 1q56 s ASN 186 Cb 0.11 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.85 1q56 s ASN 186 CO 0.34 -0.01 0.00 -0.81 -3.72 0.00 0.00 177.10 172.90 1q56 n PRO 187 N -0.33 0.00 -2.18 0.43 -0.04 -1.26 -4.74 135.00 126.88 1q56 n PRO 187 Ca -0.03 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 1q56 n PRO 187 Cb 0.53 -0.22 -0.03 0.00 -0.04 0.00 0.00 33.50 33.74 1q56 n PRO 187 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1q56 s THR 188 N 0.00 3.05 -0.11 0.52 2.01 -1.26 -5.01 115.64 114.84 1q56 s THR 188 Ca 0.00 0.91 0.03 0.00 0.31 0.00 0.00 61.69 62.94 1q56 s THR 188 Cb 0.00 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1q56 s THR 188 CO 0.00 0.16 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.27 1q56 s ILE 189 N -0.24 1.75 0.43 1.82 -1.09 -1.26 -5.11 121.20 117.50 1q56 s ILE 189 Ca 0.55 -0.81 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1q56 s ILE 189 Cb -0.38 -1.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.90 1q56 s ILE 189 CO 0.42 0.49 0.02 -0.76 -1.23 0.00 0.00 174.94 173.88 1q56 s LEU 190 N 0.69 2.57 0.00 2.97 1.43 -1.26 -5.03 118.68 120.05 1q56 s LEU 190 Ca -0.12 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1q56 s LEU 190 Cb -0.16 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1q56 s LEU 190 CO 0.02 -0.62 0.00 1.41 0.23 0.00 0.00 176.35 177.39 1q56 n HIS 191 N -1.04 0.00 -3.64 0.29 8.25 -1.26 -1.80 115.22 116.03 1q56 n HIS 191 Ca -0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 1q56 n HIS 191 Cb 0.67 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.71 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 0.85 4.41 0.00 0.00 0.01 -1.26 -4.93 113.70 112.77 1q56 s SER 193 Ca -0.04 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1q56 s SER 193 Cb -0.04 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.24 1q56 s SER 193 CO -0.12 0.27 0.00 0.00 0.41 0.00 0.00 173.24 173.80 1q56 n ALA 194 N 1.51 0.00 -0.20 1.44 0.00 -1.26 -5.14 120.51 116.86 1q56 n ALA 194 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1q56 n ALA 194 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86