#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 -0.82 0.15 1.61 2.88 -1.26 -5.01 113.62 111.18 1q56 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1q56 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1q56 n SER 2 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1q56 n GLU 3 N -0.82 0.00 -1.17 -1.46 2.13 -1.26 -5.16 120.64 112.91 1q56 n GLU 3 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1q56 n GLU 3 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1q56 n GLU 3 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1q56 n LYS 4 N -3.10 -3.35 -3.27 5.31 4.81 -1.26 -4.90 118.16 112.40 1q56 n LYS 4 Ca 0.00 2.49 -0.38 0.00 -0.87 0.00 0.00 58.31 59.55 1q56 n LYS 4 Cb 0.00 -2.80 -0.06 0.00 0.02 0.00 0.00 35.03 32.19 1q56 n LYS 4 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1q56 s VAL 5 N -2.97 4.74 -0.34 3.15 -7.23 -1.26 -5.05 120.40 111.44 1q56 s VAL 5 Ca 0.00 1.17 -0.01 0.00 -1.81 0.00 0.00 61.98 61.33 1q56 s VAL 5 Cb 0.00 -3.88 0.13 0.00 0.56 0.00 0.00 36.38 33.20 1q56 s VAL 5 CO 0.00 0.48 0.19 -0.51 -0.31 0.00 0.00 175.10 174.95 1q56 s ILE 6 N -1.20 0.19 -0.86 -0.62 1.10 -1.26 -5.06 121.20 113.49 1q56 s ILE 6 Ca 0.32 -1.57 -0.20 0.00 -0.51 0.00 0.00 60.65 58.69 1q56 s ILE 6 Cb -0.19 -1.15 -0.22 0.00 0.15 0.00 0.00 42.46 41.05 1q56 s ILE 6 CO 0.19 -0.93 2.33 -0.38 -2.11 0.00 0.00 174.94 174.04 1q56 n ILE 7 N 4.26 -0.01 -1.61 2.00 -0.00 -1.26 -4.81 119.36 117.93 1q56 n ILE 7 Ca 0.08 -0.49 -0.50 0.00 -0.00 0.00 0.00 62.75 61.83 1q56 n ILE 7 Cb 0.38 -1.19 -0.05 0.00 -0.00 0.00 0.00 39.64 38.77 1q56 n ILE 7 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1q56 n GLU 8 N 7.52 1.39 -4.52 0.38 2.13 -1.26 -4.96 120.64 121.31 1q56 n GLU 8 Ca 0.56 0.50 -0.32 0.00 0.66 0.00 0.00 57.16 58.56 1q56 n GLU 8 Cb 0.30 -2.16 -0.11 0.00 0.27 0.00 0.00 31.44 29.74 1q56 n GLU 8 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1q56 s LYS 9 N 0.52 2.47 -0.15 5.31 -2.85 -1.26 -5.11 119.74 118.67 1q56 s LYS 9 Ca 0.82 -0.76 -0.05 0.00 -1.00 0.00 0.00 55.97 54.98 1q56 s LYS 9 Cb -0.88 -2.44 -0.03 0.00 -2.06 0.00 0.00 37.83 32.41 1q56 s LYS 9 CO 0.45 0.59 0.01 0.00 0.10 0.00 0.00 175.35 176.50 1q56 s ALA 10 N -0.96 3.23 -0.66 0.59 0.00 -1.26 -5.00 121.76 117.69 1q56 s ALA 10 Ca 0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1q56 s ALA 10 Cb -0.11 -1.67 0.27 0.00 0.00 0.00 0.00 23.12 21.60 1q56 s ALA 10 CO 0.07 0.30 2.26 0.00 0.00 0.00 0.00 175.76 178.38 1q56 n ALA 11 N 3.17 6.36 0.00 0.00 0.00 -1.26 -4.77 120.51 124.01 1q56 n ALA 11 Ca -0.17 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 49.78 1q56 n ALA 11 Cb 0.53 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.09 2.37 0.03 0.00 0.00 -1.26 -5.08 105.19 101.16 1q56 n GLY 12 Ca 0.52 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1q56 n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q56 n ASP 13 N 0.00 3.72 -3.19 1.61 5.75 -1.26 -4.82 116.55 118.36 1q56 n ASP 13 Ca 0.00 -0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.59 1q56 n ASP 13 Cb 0.00 0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1q56 n ALA 14 N -2.23 2.01 -0.70 2.12 0.00 -1.26 -5.02 120.51 115.43 1q56 n ALA 14 Ca -0.09 -3.40 -0.40 0.00 0.00 0.00 0.00 53.44 49.56 1q56 n ALA 14 Cb 0.66 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 1q56 n ALA 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1q56 n GLU 15 N 0.32 0.06 -2.10 0.00 0.28 -1.26 -4.89 120.64 113.05 1q56 n GLU 15 Ca 0.25 -1.14 -0.31 0.00 -0.16 0.00 0.00 57.16 55.80 1q56 n GLU 15 Cb 0.66 -2.76 -0.00 0.00 1.43 0.00 0.00 31.44 30.77 1q56 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q56 s ALA 16 N 8.72 3.14 -0.21 -1.84 0.00 -1.26 -4.98 121.76 125.33 1q56 s ALA 16 Ca 0.71 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1q56 s ALA 16 Cb 0.12 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1q56 s ALA 16 CO 0.32 -0.54 -0.16 0.42 0.00 0.00 0.00 175.76 175.79 1q56 s ILE 17 N -3.00 2.13 -0.17 0.00 -1.09 -1.19 -3.06 121.20 114.82 1q56 s ILE 17 Ca 0.54 -1.18 -0.28 0.00 -2.23 0.00 0.00 60.65 57.51 1q56 s ILE 17 Cb -0.11 -2.03 -0.00 0.00 -1.58 0.00 0.00 42.46 38.74 1q56 s ILE 17 CO 0.48 0.33 0.98 0.00 -1.23 0.00 0.00 174.94 175.50 1q56 s ALA 18 N 1.23 3.55 0.63 9.38 0.00 0.45 -2.84 121.76 134.16 1q56 s ALA 18 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 1q56 s ALA 18 Cb -0.16 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.56 1q56 s ALA 18 CO -0.10 -0.80 0.94 -0.06 0.00 0.00 0.00 175.76 175.74 1q56 s PHE 19 N 2.53 3.11 0.00 0.00 0.40 0.66 -4.18 117.98 120.50 1q56 s PHE 19 Ca 0.44 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1q56 s PHE 19 Cb -0.17 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.45 1q56 s PHE 19 CO 0.12 -1.05 0.47 -0.40 0.70 0.00 0.00 175.22 175.05 1q56 n ASP 20 N -2.71 0.82 0.00 1.36 5.68 -1.19 -3.43 116.55 117.09 1q56 n ASP 20 Ca 0.06 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 1q56 n ASP 20 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 -0.10 3.10 0.31 6.12 0.00 0.18 -4.69 105.19 110.12 1q56 n GLY 21 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 1.53 -1.98 1.61 0.63 -1.26 -2.73 116.66 112.46 1q56 n ARG 22 Ca 0.00 -2.78 -0.29 0.00 -0.92 0.00 0.00 57.85 53.87 1q56 n ARG 22 Cb 0.00 -1.57 0.12 0.00 0.45 0.00 0.00 32.46 31.46 1q56 n ARG 22 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1q56 s THR 23 N -2.96 2.04 -0.40 5.15 -4.23 -1.26 -5.02 115.64 108.96 1q56 s THR 23 Ca 0.35 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1q56 s THR 23 Cb 0.31 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 71.36 1q56 s THR 23 CO 0.01 0.00 0.81 -0.47 -0.54 0.00 0.00 174.62 174.44 1q56 s TYR 24 N -3.62 -1.19 -0.61 3.99 5.04 -1.26 -4.10 117.35 115.60 1q56 s TYR 24 Ca 0.66 0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 55.09 1q56 s TYR 24 Cb -0.08 0.22 0.07 0.00 0.35 0.00 0.00 41.96 42.52 1q56 s TYR 24 CO 0.49 -0.84 0.85 -1.64 -1.34 0.00 0.00 175.55 173.07 1q56 s MET 25 N 1.62 3.12 -0.46 4.97 -1.94 -1.19 -4.84 119.30 120.58 1q56 s MET 25 Ca 0.19 -0.90 -0.27 0.00 -1.71 0.00 0.00 55.69 53.00 1q56 s MET 25 Cb 0.00 -4.20 0.03 0.00 2.01 0.00 0.00 34.83 32.67 1q56 s MET 25 CO -0.09 -1.63 1.00 -1.83 -0.01 0.00 0.00 175.02 172.46 1q56 s GLU 26 N 3.52 3.64 -0.55 2.03 -1.05 -1.26 -2.57 118.70 122.45 1q56 s GLU 26 Ca 0.19 0.36 -0.15 0.00 -0.15 0.00 0.00 54.97 55.23 1q56 s GLU 26 Cb -0.19 -3.90 0.14 0.00 -0.44 0.00 0.00 34.13 29.74 1q56 s GLU 26 CO 0.10 -1.25 0.50 0.71 0.95 0.00 0.00 175.26 176.27 1q56 s TYR 27 N 3.98 3.31 -0.55 4.83 2.02 -0.03 -4.62 117.35 126.29 1q56 s TYR 27 Ca 0.41 -1.42 -0.20 0.00 -0.37 0.00 0.00 57.07 55.49 1q56 s TYR 27 Cb -0.09 -3.76 0.07 0.00 -0.40 0.00 0.00 41.96 37.78 1q56 s TYR 27 CO 0.27 -1.01 0.71 -1.58 -1.57 0.00 0.00 175.55 172.37 1q56 s HIS 28 N 1.46 2.98 0.42 2.71 2.46 -1.26 -2.37 115.29 121.68 1q56 s HIS 28 Ca 0.04 -0.62 0.02 0.00 0.47 0.00 0.00 55.06 54.97 1q56 s HIS 28 Cb -0.28 -3.80 -0.00 0.00 -0.13 0.00 0.00 32.58 28.37 1q56 s HIS 28 CO 0.02 -1.20 0.62 -0.80 -2.47 0.00 0.00 174.74 170.91 1q56 s ASN 29 N 3.08 5.87 -0.80 9.88 0.01 -1.17 -5.03 114.94 126.78 1q56 s ASN 29 Ca 0.16 0.17 -0.20 0.00 -0.71 0.00 0.00 52.86 52.28 1q56 s ASN 29 Cb -0.20 -1.46 0.11 0.00 0.41 0.00 0.00 41.25 40.11 1q56 s ASN 29 CO 0.11 -0.63 1.00 0.00 -1.51 0.00 0.00 177.10 176.07 1q56 s ALA 30 N -2.46 3.33 0.16 0.60 0.00 -1.26 -4.81 121.76 117.32 1q56 s ALA 30 Ca 0.47 -2.45 0.00 0.00 0.00 0.00 0.00 51.96 49.99 1q56 s ALA 30 Cb -0.10 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1q56 s ALA 30 CO 0.36 -2.80 0.05 0.14 0.00 0.00 0.00 175.76 173.51 1q56 s VAL 31 N 2.98 0.33 -0.03 0.00 -7.23 -1.26 -5.16 120.40 110.03 1q56 s VAL 31 Ca 0.26 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1q56 s VAL 31 Cb -0.11 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1q56 s VAL 31 CO -0.02 -0.38 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.41 1q56 s THR 32 N -3.90 0.81 -0.64 5.32 2.01 -1.26 -4.91 115.64 113.07 1q56 s THR 32 Ca 0.27 -0.38 -0.34 0.00 0.31 0.00 0.00 61.69 61.55 1q56 s THR 32 Cb 0.07 -0.71 -0.16 0.00 0.01 0.00 0.00 72.50 71.71 1q56 s THR 32 CO 0.05 0.25 2.40 1.17 -0.69 0.00 0.00 174.62 177.80 1q56 n LYS 33 N 3.27 0.47 0.00 4.92 4.81 -1.26 -4.71 118.16 125.65 1q56 n LYS 33 Ca -0.18 0.08 0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1q56 n LYS 33 Cb 0.54 -2.10 0.28 0.00 0.02 0.00 0.00 35.03 33.77 1q56 n LYS 33 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1q56 n SER 34 N 10.69 0.00 0.00 3.14 3.41 -1.26 -4.82 113.62 124.79 1q56 n SER 34 Ca 0.52 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1q56 n SER 34 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1q56 n SER 34 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1q56 n GLU 35 N -0.67 -0.15 -2.84 4.33 4.07 -1.26 -4.98 120.64 119.15 1q56 n GLU 35 Ca 0.07 0.04 -0.32 0.00 -0.06 0.00 0.00 57.16 56.89 1q56 n GLU 35 Cb 0.03 -3.47 -0.05 0.00 -0.06 0.00 0.00 31.44 27.89 1q56 n GLU 35 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1q56 s LYS 36 N -0.52 3.96 0.00 5.31 -2.85 -1.26 -4.98 119.74 119.40 1q56 s LYS 36 Ca 0.00 0.74 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 1q56 s LYS 36 Cb 0.00 -2.31 0.00 0.00 -2.06 0.00 0.00 37.83 33.46 1q56 s LYS 36 CO 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 175.35 175.43 1q56 n ALA 37 N -0.96 1.45 -1.78 0.59 0.00 -1.25 -4.55 120.51 114.02 1q56 n ALA 37 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1q56 n ALA 37 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1q56 n ALA 37 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1q56 s LEU 38 N -2.49 4.21 0.00 0.00 -0.00 -1.26 -4.63 118.68 114.51 1q56 s LEU 38 Ca 0.00 2.11 0.00 0.00 -0.00 0.00 0.00 54.13 56.24 1q56 s LEU 38 Cb 0.00 -4.07 0.00 0.00 -0.00 0.00 0.00 46.19 42.12 1q56 s LEU 38 CO 0.00 -0.46 0.00 1.67 -0.00 0.00 0.00 176.35 177.56 1q56 n GLN 39 N 0.16 0.00 -3.54 1.48 7.27 -1.26 -5.00 117.38 116.49 1q56 n GLN 39 Ca 0.04 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.03 1q56 n GLN 39 Cb 0.48 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.11 1q56 n GLN 39 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1q56 s SER 40 N -4.00 -0.30 -0.01 1.69 0.01 -1.25 -0.86 113.70 108.97 1q56 s SER 40 Ca 0.00 0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.37 1q56 s SER 40 Cb 0.00 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 1q56 s SER 40 CO 0.00 -0.45 -0.13 0.54 0.41 0.00 0.00 173.24 173.61 1q56 s ASN 41 N -2.11 1.51 -0.18 2.44 4.22 -1.00 -4.95 114.94 114.87 1q56 s ASN 41 Ca 0.05 -0.23 -0.04 0.00 -2.14 0.00 0.00 52.86 50.50 1q56 s ASN 41 Cb -0.01 -0.21 -0.02 0.00 1.28 0.00 0.00 41.25 42.29 1q56 s ASN 41 CO -0.06 0.15 -0.04 -1.00 -2.04 0.00 0.00 177.10 174.11 1q56 s HIS 42 N -0.22 2.98 -0.05 1.54 3.76 -1.26 -2.89 115.29 119.14 1q56 s HIS 42 Ca 0.03 -0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 54.35 1q56 s HIS 42 Cb -0.06 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.65 1q56 s HIS 42 CO -0.00 -0.26 0.07 -0.06 -0.85 0.00 0.00 174.74 173.63 1q56 s PHE 43 N 0.85 0.06 0.11 1.40 0.40 -0.98 -2.17 117.98 117.64 1q56 s PHE 43 Ca -0.01 0.24 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 1q56 s PHE 43 Cb -0.15 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 1q56 s PHE 43 CO 0.01 -0.21 -0.17 -1.21 0.70 0.00 0.00 175.22 174.34 1q56 s GLU 44 N 2.17 1.04 0.00 0.44 2.02 -0.06 0.14 118.70 124.45 1q56 s GLU 44 Ca 0.05 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1q56 s GLU 44 Cb -0.12 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 32.98 1q56 s GLU 44 CO -0.04 0.25 0.00 1.47 0.02 0.00 0.00 175.26 176.96 1q56 n LEU 45 N 0.94 0.00 -4.55 1.80 -0.00 -0.97 -1.01 117.00 113.21 1q56 n LEU 45 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.53 1q56 n LEU 45 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.87 1q56 n LEU 45 CO 0.24 0.00 -0.44 -0.44 -0.00 0.00 0.00 177.39 176.74 1q56 s SER 46 N 0.00 4.23 0.03 1.45 0.01 -0.90 -1.42 113.70 117.10 1q56 s SER 46 Ca 0.00 -0.45 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 1q56 s SER 46 Cb 0.00 -0.74 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 1q56 s SER 46 CO 0.00 0.17 0.12 0.27 0.41 0.00 0.00 173.24 174.21 1q56 s ILE 47 N -1.22 0.11 -0.84 1.44 -4.36 -0.60 -1.66 121.20 114.07 1q56 s ILE 47 Ca 0.21 -0.94 -0.03 0.00 -0.26 0.00 0.00 60.65 59.62 1q56 s ILE 47 Cb -0.11 -0.75 0.21 0.00 1.25 0.00 0.00 42.46 43.07 1q56 s ILE 47 CO 0.13 -0.52 0.72 -0.75 0.24 0.00 0.00 174.94 174.76 1q56 s LYS 48 N -2.22 3.20 0.46 0.37 2.20 0.75 -2.09 119.74 122.40 1q56 s LYS 48 Ca -0.08 -3.07 -0.22 0.00 -0.36 0.00 0.00 55.97 52.24 1q56 s LYS 48 Cb -0.03 -3.97 -0.08 0.00 -1.51 0.00 0.00 37.83 32.24 1q56 s LYS 48 CO -0.03 -1.25 1.07 0.95 -0.36 0.00 0.00 175.35 175.74 1q56 s THR 49 N -0.99 3.59 0.00 3.43 -4.23 -1.25 -1.11 115.64 115.08 1q56 s THR 49 Ca 0.25 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 1q56 s THR 49 Cb -0.10 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1q56 s THR 49 CO -0.10 -0.11 0.00 -0.62 -0.54 0.00 0.00 174.62 173.25 1q56 n GLU 50 N -0.62 1.99 -4.58 3.99 -0.58 -1.26 -2.13 120.64 117.46 1q56 n GLU 50 Ca 0.08 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.57 1q56 n GLU 50 Cb 0.51 -0.81 -0.17 0.00 -0.57 0.00 0.00 31.44 30.40 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 -1.42 1.24 -1.19 0.62 0.00 -1.26 -4.99 121.76 114.76 1q56 s ALA 51 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1q56 s ALA 51 Cb 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1q56 s ALA 51 CO 0.00 0.12 0.95 0.25 0.00 0.00 0.00 175.76 177.08 1q56 n THR 52 N 3.78 1.54 -4.49 0.00 -2.24 -1.26 -4.52 114.28 107.10 1q56 n THR 52 Ca -0.23 0.39 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 1q56 n THR 52 Cb 0.52 -1.36 -0.16 0.00 -2.10 0.00 0.00 70.33 67.23 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 -2.81 1.23 0.00 -0.78 0.74 -1.26 -0.28 119.66 116.50 1q56 s GLN 53 Ca 0.01 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.06 1q56 s GLN 53 Cb 0.01 -1.10 0.00 0.00 1.10 0.00 0.00 33.01 33.02 1q56 s GLN 53 CO 0.02 0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.28 1q56 n GLY 54 N 3.42 3.55 3.69 2.59 0.00 -0.66 -4.80 105.19 112.98 1q56 n GLY 54 Ca -0.20 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 4.21 -0.09 0.99 0.05 0.04 0.21 118.68 124.08 1q56 s LEU 55 Ca 0.00 0.66 0.18 0.00 0.05 0.00 0.00 54.13 55.02 1q56 s LEU 55 Cb 0.00 -2.61 -0.24 0.00 -2.05 0.00 0.00 46.19 41.29 1q56 s LEU 55 CO 0.00 -0.05 0.39 -0.38 -0.55 0.00 0.00 176.35 175.76 1q56 n ILE 56 N 4.05 1.09 -3.86 1.48 -0.00 0.60 -2.40 119.36 120.33 1q56 n ILE 56 Ca -0.07 -0.74 -0.12 0.00 -0.00 0.00 0.00 62.75 61.82 1q56 n ILE 56 Cb 0.51 -0.50 -0.11 0.00 -0.00 0.00 0.00 39.64 39.55 1q56 n ILE 56 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1q56 s LEU 57 N -5.43 1.54 -0.30 1.39 0.20 0.20 0.28 118.68 116.56 1q56 s LEU 57 Ca -0.07 -0.03 -0.07 0.00 0.69 0.00 0.00 54.13 54.65 1q56 s LEU 57 Cb 0.08 0.59 0.15 0.00 -0.43 0.00 0.00 46.19 46.58 1q56 s LEU 57 CO 0.84 -0.25 0.62 0.86 -0.29 0.00 0.00 176.35 178.13 1q56 s TRP 58 N -0.83 -1.41 -0.19 5.38 -0.11 0.14 0.22 118.94 122.12 1q56 s TRP 58 Ca -0.09 2.07 -0.01 0.00 1.22 0.00 0.00 56.10 59.29 1q56 s TRP 58 Cb -0.05 0.70 0.01 0.00 -1.50 0.00 0.00 33.47 32.62 1q56 s TRP 58 CO 0.01 -0.74 -0.13 -1.12 -4.62 0.00 0.00 176.95 170.35 1q56 s SER 59 N 2.87 3.64 0.45 5.86 0.01 0.75 -2.14 113.70 125.15 1q56 s SER 59 Ca 0.04 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1q56 s SER 59 Cb -0.13 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.51 1q56 s SER 59 CO -0.19 -0.00 0.68 -0.83 0.41 0.00 0.00 173.24 173.30 1q56 s GLY 60 N 1.32 1.57 0.00 3.44 0.00 -1.26 -2.26 107.32 110.13 1q56 s GLY 60 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1q56 s GLY 60 CO -0.08 -0.88 0.00 0.28 0.00 0.00 0.00 173.10 172.42 1q56 n LYS 61 N -2.09 0.00 -3.70 2.90 4.01 -1.26 -4.23 118.16 113.79 1q56 n LYS 61 Ca 0.01 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.47 1q56 n LYS 61 Cb 0.58 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.04 1q56 n LYS 61 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1q56 s GLY 62 N -1.01 2.28 0.00 0.72 0.00 -1.26 -4.86 107.32 103.19 1q56 s GLY 62 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1q56 s GLY 62 CO 0.00 -0.32 0.00 -0.10 0.00 0.00 0.00 173.10 172.68 1q56 n LEU 63 N 1.00 0.00 -1.33 0.66 7.94 -1.26 -3.67 117.00 120.35 1q56 n LEU 63 Ca -0.10 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.76 1q56 n LEU 63 Cb 0.53 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.69 1q56 n LEU 63 CO 0.42 -0.44 0.81 -1.84 -1.11 0.00 0.00 177.39 175.23 1q56 n GLU 64 N -0.47 2.26 -2.69 1.96 0.28 -1.26 -4.65 120.64 116.07 1q56 n GLU 64 Ca 0.00 -3.08 -0.06 0.00 -0.16 0.00 0.00 57.16 53.86 1q56 n GLU 64 Cb 0.00 -1.91 0.10 0.00 1.43 0.00 0.00 31.44 31.06 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 -0.93 0.56 -3.36 3.44 1.85 -1.25 -4.97 116.66 112.00 1q56 n ARG 65 Ca 0.35 -1.26 -0.15 0.00 -1.00 0.00 0.00 57.85 55.79 1q56 n ARG 65 Cb 1.13 -0.48 -0.08 0.00 -1.05 0.00 0.00 32.46 31.99 1q56 n ARG 65 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1q56 s SER 66 N -0.68 1.07 0.46 2.89 0.15 -1.24 -5.08 113.70 111.27 1q56 s SER 66 Ca 0.20 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.61 1q56 s SER 66 Cb 0.28 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1q56 s SER 66 CO -0.12 -0.29 0.00 -0.67 1.20 0.00 0.00 173.24 173.36 1q56 n ASP 67 N 4.60 -6.58 0.00 5.45 2.03 -1.26 -4.14 116.55 116.65 1q56 n ASP 67 Ca 0.07 1.45 0.00 0.00 0.52 0.00 0.00 54.79 56.83 1q56 n ASP 67 Cb 0.46 -4.35 0.00 0.00 -0.72 0.00 0.00 41.12 36.52 1q56 n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q56 n TYR 68 N -2.57 0.00 -4.33 -0.67 0.18 -1.15 -4.01 117.16 104.61 1q56 n TYR 68 Ca -0.00 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 1q56 n TYR 68 Cb 0.39 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.24 1q56 n TYR 68 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1q56 s ILE 69 N -2.00 0.85 0.11 -3.48 1.01 -0.96 0.16 121.20 116.89 1q56 s ILE 69 Ca 0.00 -2.01 -0.25 0.00 0.00 0.00 0.00 60.65 58.39 1q56 s ILE 69 Cb 0.00 -2.47 0.08 0.00 0.01 0.00 0.00 42.46 40.08 1q56 s ILE 69 CO 0.00 -0.19 1.12 0.00 0.00 0.00 0.00 174.94 175.87 1q56 s ALA 70 N -3.55 -1.88 -0.11 9.38 0.00 -0.64 -0.18 121.76 124.78 1q56 s ALA 70 Ca 0.32 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1q56 s ALA 70 Cb 0.07 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.01 1q56 s ALA 70 CO 0.11 -1.09 0.25 -0.51 0.00 0.00 0.00 175.76 174.52 1q56 s LEU 71 N -3.47 0.39 0.18 0.00 1.43 0.59 -1.79 118.68 116.00 1q56 s LEU 71 Ca 0.23 0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 1q56 s LEU 71 Cb -0.02 0.75 0.01 0.00 0.03 0.00 0.00 46.19 46.96 1q56 s LEU 71 CO 0.03 -0.17 0.38 0.00 0.23 0.00 0.00 176.35 176.82 1q56 s ALA 72 N 1.28 -0.37 -0.11 4.21 0.00 -1.15 0.22 121.76 125.84 1q56 s ALA 72 Ca -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1q56 s ALA 72 Cb -0.10 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1q56 s ALA 72 CO -0.09 -0.71 0.05 0.42 0.00 0.00 0.00 175.76 175.43 1q56 s ILE 73 N -3.93 4.71 -0.06 0.00 1.01 0.56 0.66 121.20 124.15 1q56 s ILE 73 Ca 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 1q56 s ILE 73 Cb 0.02 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.49 1q56 s ILE 73 CO -0.01 0.58 0.06 0.54 0.00 0.00 0.00 174.94 176.11 1q56 s VAL 74 N -0.67 -0.09 0.00 2.92 0.11 -0.11 -1.66 120.40 120.90 1q56 s VAL 74 Ca 0.11 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1q56 s VAL 74 Cb -0.12 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1q56 s VAL 74 CO 0.02 0.12 0.00 0.47 -3.33 0.00 0.00 175.10 172.38 1q56 n ASP 75 N 5.29 -1.79 0.00 3.54 8.00 0.61 -2.06 116.55 130.14 1q56 n ASP 75 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1q56 n ASP 75 Cb 0.50 -1.89 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 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 -1.43 1.06 2.93 0.44 0.00 -0.57 -4.87 105.19 102.74 1q56 n GLY 76 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 1.15 0.47 1.61 0.40 -0.88 -2.61 117.98 116.13 1q56 s PHE 77 Ca 0.00 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.81 1q56 s PHE 77 Cb 0.00 -0.95 0.12 0.00 0.51 0.00 0.00 43.02 42.70 1q56 s PHE 77 CO 0.00 -0.31 0.27 1.55 0.70 0.00 0.00 175.22 177.44 1q56 n VAL 78 N 4.27 0.00 -3.15 -0.44 3.14 -1.26 -0.93 118.33 119.96 1q56 n VAL 78 Ca -0.20 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.24 1q56 n VAL 78 Cb 0.51 -0.31 -0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1q56 n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q56 s GLN 79 N -3.59 0.10 -0.07 1.45 -2.07 0.21 -1.76 119.66 113.93 1q56 s GLN 79 Ca 0.21 0.12 -0.30 0.00 -1.82 0.00 0.00 55.36 53.57 1q56 s GLN 79 Cb -0.04 0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 31.92 1q56 s GLN 79 CO 0.18 -0.18 1.07 0.00 -1.32 0.00 0.00 175.29 175.04 1q56 s MET 80 N 2.97 4.42 0.07 9.60 0.23 -1.16 -2.96 119.30 132.47 1q56 s MET 80 Ca 0.23 1.49 0.09 0.00 -1.03 0.00 0.00 55.69 56.46 1q56 s MET 80 Cb -0.03 -3.53 -0.03 0.00 -1.53 0.00 0.00 34.83 29.71 1q56 s MET 80 CO -0.20 -0.32 -0.23 0.00 -2.03 0.00 0.00 175.02 172.23 1q56 s MET 81 N 1.93 1.45 -0.11 3.16 0.00 -0.74 -1.97 119.30 123.01 1q56 s MET 81 Ca 0.51 -1.09 -0.00 0.00 0.00 0.00 0.00 55.69 55.11 1q56 s MET 81 Cb -0.21 -1.67 0.02 0.00 0.00 0.00 0.00 34.83 32.98 1q56 s MET 81 CO 0.21 0.42 -0.07 1.52 0.00 0.00 0.00 175.02 177.09 1q56 s TYR 82 N -0.91 1.44 -0.56 3.16 -0.85 -1.18 -1.63 117.35 116.82 1q56 s TYR 82 Ca 0.09 -0.70 -0.03 0.00 -0.52 0.00 0.00 57.07 55.91 1q56 s TYR 82 Cb -0.10 -1.20 0.20 0.00 0.38 0.00 0.00 41.96 41.25 1q56 s TYR 82 CO 0.03 -0.49 2.38 -3.47 -1.52 0.00 0.00 175.55 172.48 1q56 n ASP 83 N 4.89 6.90 0.03 -0.18 -0.08 0.42 -2.90 116.55 125.62 1q56 n ASP 83 Ca -0.13 -3.42 0.04 0.00 -1.51 0.00 0.00 54.79 49.77 1q56 n ASP 83 Cb 0.50 -1.14 0.17 0.00 2.34 0.00 0.00 41.12 42.99 1q56 n ASP 83 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q56 n LEU 84 N 0.22 0.10 -2.78 -2.67 -0.00 -1.26 -2.71 117.00 107.89 1q56 n LEU 84 Ca 0.49 0.54 -0.02 0.00 -0.00 0.00 0.00 56.01 57.02 1q56 n LEU 84 Cb 0.48 -0.54 0.07 0.00 -0.00 0.00 0.00 43.42 43.42 1q56 n LEU 84 CO 0.44 -0.50 0.12 0.61 -0.00 0.00 0.00 177.39 178.06 1q56 n GLY 85 N -1.05 1.78 4.13 1.47 0.00 -1.26 -4.43 105.19 105.82 1q56 n GLY 85 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.71 0.00 -4.33 1.61 2.88 -1.10 -4.86 113.62 107.11 1q56 n SER 86 Ca 0.02 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.13 1q56 n SER 86 Cb 0.82 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.20 1q56 n SER 86 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1q56 s LYS 87 N 0.00 2.83 -0.24 -1.46 -0.14 -1.26 -4.92 119.74 114.55 1q56 s LYS 87 Ca 0.00 -1.47 -0.29 0.00 -1.36 0.00 0.00 55.97 52.85 1q56 s LYS 87 Cb 0.00 -4.04 -0.01 0.00 -1.68 0.00 0.00 37.83 32.10 1q56 s LYS 87 CO 0.00 -1.07 1.35 -1.25 -0.76 0.00 0.00 175.35 173.62 1q56 s PRO 88 N 1.55 4.01 1.02 -1.68 0.04 -1.25 -4.53 135.00 134.15 1q56 s PRO 88 Ca 0.04 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 1q56 s PRO 88 Cb -0.25 -3.87 0.20 0.00 0.04 0.00 0.00 34.50 30.62 1q56 s PRO 88 CO 0.04 -1.00 1.12 0.54 0.04 0.00 0.00 177.00 177.74 1q56 s VAL 89 N 4.20 1.92 -0.22 -0.36 0.11 -1.14 -4.66 120.40 120.23 1q56 s VAL 89 Ca 0.58 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.60 1q56 s VAL 89 Cb -0.20 -2.60 0.10 0.00 -1.53 0.00 0.00 36.38 32.15 1q56 s VAL 89 CO 0.21 0.00 0.21 -0.69 -3.33 0.00 0.00 175.10 171.50 1q56 s VAL 90 N -3.12 -0.28 -0.87 2.04 1.01 -1.26 -3.13 120.40 114.79 1q56 s VAL 90 Ca 0.67 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1q56 s VAL 90 Cb -0.15 -0.76 0.18 0.00 0.00 0.00 0.00 36.38 35.66 1q56 s VAL 90 CO 0.56 -0.32 0.93 -0.76 0.00 0.00 0.00 175.10 175.50 1q56 s LEU 91 N 2.28 5.98 0.59 3.92 2.01 -0.83 -4.88 118.68 127.76 1q56 s LEU 91 Ca 0.07 -2.39 -0.16 0.00 0.01 0.00 0.00 54.13 51.66 1q56 s LEU 91 Cb -0.15 -2.30 -0.03 0.00 0.01 0.00 0.00 46.19 43.71 1q56 s LEU 91 CO -0.18 -0.80 1.07 -0.13 1.01 0.00 0.00 176.35 177.32 1q56 s ARG 92 N 1.32 3.27 0.40 1.70 0.52 -1.26 -2.96 118.95 121.94 1q56 s ARG 92 Ca 0.25 1.27 -0.25 0.00 -0.52 0.00 0.00 55.73 56.48 1q56 s ARG 92 Cb -0.08 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 33.29 1q56 s ARG 92 CO -0.09 -0.86 1.22 0.45 0.02 0.00 0.00 175.30 176.04 1q56 s SER 93 N -2.63 6.42 -0.19 0.23 0.15 -0.72 -4.58 113.70 112.39 1q56 s SER 93 Ca 0.65 2.46 0.09 0.00 0.70 0.00 0.00 55.95 59.85 1q56 s SER 93 Cb -0.17 -2.62 0.58 0.00 -1.71 0.00 0.00 66.02 62.09 1q56 s SER 93 CO 0.36 -0.76 1.43 1.07 1.20 0.00 0.00 173.24 176.54 1q56 n THR 94 N 0.08 2.05 -4.09 6.45 5.66 -1.26 -4.71 114.28 118.46 1q56 n THR 94 Ca 0.04 -1.04 -0.14 0.00 -3.05 0.00 0.00 64.05 59.86 1q56 n THR 94 Cb 0.45 -0.37 -0.12 0.00 -1.55 0.00 0.00 70.33 68.74 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 -2.28 0.62 0.23 1.08 1.01 -1.26 -5.04 120.40 114.76 1q56 s VAL 95 Ca 0.39 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1q56 s VAL 95 Cb 0.30 -0.66 -0.10 0.00 0.00 0.00 0.00 36.38 35.93 1q56 s VAL 95 CO 0.11 -0.31 1.41 -2.16 0.00 0.00 0.00 175.10 174.15 1q56 s PRO 96 N -1.47 4.30 0.00 2.72 0.04 -1.26 -4.75 135.00 134.57 1q56 s PRO 96 Ca -0.08 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1q56 s PRO 96 Cb -0.09 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1q56 s PRO 96 CO 0.01 -0.39 0.00 1.51 0.04 0.00 0.00 177.00 178.17 1q56 n ILE 97 N 2.56 0.00 -0.68 0.56 3.06 -1.07 -4.82 119.36 118.96 1q56 n ILE 97 Ca 0.07 0.00 -0.19 0.00 -2.50 0.00 0.00 62.75 60.13 1q56 n ILE 97 Cb 0.41 -0.34 -0.03 0.00 0.54 0.00 0.00 39.64 40.23 1q56 n ILE 97 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1q56 n ASN 98 N -1.43 4.49 -0.49 9.51 0.23 -1.25 -3.92 115.26 122.41 1q56 n ASN 98 Ca 0.00 -2.27 0.05 0.00 -0.53 0.00 0.00 54.58 51.82 1q56 n ASN 98 Cb 0.24 -1.03 0.07 0.00 -2.08 0.00 0.00 39.78 36.98 1q56 n ASN 98 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1q56 n THR 99 N 4.06 0.89 -1.95 5.53 5.66 -1.24 -4.87 114.28 122.36 1q56 n THR 99 Ca 0.40 -1.26 -0.18 0.00 -3.05 0.00 0.00 64.05 59.96 1q56 n THR 99 Cb 0.17 0.23 -0.04 0.00 -1.55 0.00 0.00 70.33 69.13 1q56 n THR 99 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1q56 n ASN 100 N -0.56 -4.90 -4.59 1.09 4.13 -0.90 -4.95 115.26 104.57 1q56 n ASN 100 Ca 0.08 0.26 -0.28 0.00 1.68 0.00 0.00 54.58 56.32 1q56 n ASN 100 Cb 0.73 -4.26 -0.09 0.00 -1.54 0.00 0.00 39.78 34.63 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 -2.68 2.71 -0.75 3.10 3.76 -1.26 -4.91 115.29 115.25 1q56 s HIS 101 Ca 0.00 -0.18 -0.26 0.00 -0.15 0.00 0.00 55.06 54.47 1q56 s HIS 101 Cb 0.00 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1q56 s HIS 101 CO 0.00 0.48 1.63 -1.58 -0.85 0.00 0.00 174.74 174.42 1q56 s TRP 102 N -1.54 2.00 0.03 1.40 0.23 -1.26 -4.10 118.94 115.70 1q56 s TRP 102 Ca 0.24 0.27 -0.14 0.00 -2.03 0.00 0.00 56.10 54.44 1q56 s TRP 102 Cb -0.10 -4.34 -0.06 0.00 0.03 0.00 0.00 33.47 29.00 1q56 s TRP 102 CO 0.15 -2.10 0.42 0.99 0.96 0.00 0.00 176.95 177.38 1q56 s THR 103 N 7.58 5.02 -0.05 2.01 2.01 -0.89 -4.83 115.64 126.49 1q56 s THR 103 Ca 0.54 0.77 -0.07 0.00 0.31 0.00 0.00 61.69 63.25 1q56 s THR 103 Cb -0.09 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1q56 s THR 103 CO 0.12 0.49 0.22 -2.28 -0.69 0.00 0.00 174.62 172.48 1q56 s HIS 104 N -1.17 3.60 0.04 4.92 2.46 -1.26 -1.55 115.29 122.32 1q56 s HIS 104 Ca 0.27 0.56 -0.02 0.00 0.47 0.00 0.00 55.06 56.35 1q56 s HIS 104 Cb -0.16 -1.97 -0.03 0.00 -0.13 0.00 0.00 32.58 30.28 1q56 s HIS 104 CO 0.15 0.67 -0.00 0.42 -2.47 0.00 0.00 174.74 173.51 1q56 s ILE 105 N -1.17 0.18 -0.14 0.89 1.01 -0.51 0.22 121.20 121.67 1q56 s ILE 105 Ca 0.22 -1.47 -0.07 0.00 0.00 0.00 0.00 60.65 59.33 1q56 s ILE 105 Cb -0.13 -1.12 0.06 0.00 0.01 0.00 0.00 42.46 41.27 1q56 s ILE 105 CO 0.11 -0.81 0.33 -0.75 0.00 0.00 0.00 174.94 173.82 1q56 s LYS 106 N -3.15 0.29 -0.36 2.79 2.36 -0.78 -2.29 119.74 118.61 1q56 s LYS 106 Ca -0.00 0.70 -0.01 0.00 -2.55 0.00 0.00 55.97 54.11 1q56 s LYS 106 Cb 0.02 -0.04 0.09 0.00 -1.05 0.00 0.00 37.83 36.85 1q56 s LYS 106 CO -0.07 -0.18 0.11 0.00 1.55 0.00 0.00 175.35 176.77 1q56 s ALA 107 N 1.50 3.00 -0.28 3.13 0.00 0.12 -2.26 121.76 126.97 1q56 s ALA 107 Ca -0.08 -2.34 0.01 0.00 0.00 0.00 0.00 51.96 49.55 1q56 s ALA 107 Cb -0.10 -2.18 0.06 0.00 0.00 0.00 0.00 23.12 20.90 1q56 s ALA 107 CO -0.11 -1.64 -0.05 1.52 0.00 0.00 0.00 175.76 175.49 1q56 s TYR 108 N 1.11 3.29 -0.05 0.00 -0.85 -0.69 -2.32 117.35 117.83 1q56 s TYR 108 Ca 0.05 -2.14 -0.03 0.00 -0.52 0.00 0.00 57.07 54.43 1q56 s TYR 108 Cb -0.21 -2.08 -0.04 0.00 0.38 0.00 0.00 41.96 40.01 1q56 s TYR 108 CO -0.04 -0.85 0.09 0.50 -1.52 0.00 0.00 175.55 173.72 1q56 s ARG 109 N 1.16 3.17 -0.11 -3.49 3.00 -1.14 -2.05 118.95 119.49 1q56 s ARG 109 Ca -0.06 -0.36 0.00 0.00 -1.00 0.00 0.00 55.73 54.31 1q56 s ARG 109 Cb -0.20 -2.95 0.02 0.00 0.00 0.00 0.00 34.95 31.82 1q56 s ARG 109 CO -0.03 0.70 -0.11 0.08 0.00 0.00 0.00 175.30 175.94 1q56 s VAL 110 N -1.09 1.21 -0.10 7.11 1.01 0.34 -2.38 120.40 126.49 1q56 s VAL 110 Ca 0.19 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 1q56 s VAL 110 Cb -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1q56 s VAL 110 CO 0.09 0.39 0.15 0.00 0.00 0.00 0.00 175.10 175.74 1q56 n GLN 111 N 4.62 -0.60 0.00 2.72 6.02 -0.04 -1.56 117.38 128.53 1q56 n GLN 111 Ca -0.16 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1q56 n GLN 111 Cb 0.50 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1q56 n GLN 111 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1q56 n ARG 112 N 0.86 0.00 -1.98 -1.09 5.12 -1.26 -4.83 116.66 113.47 1q56 n ARG 112 Ca -0.02 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.47 1q56 n ARG 112 Cb 0.49 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.76 1q56 n ARG 112 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1q56 s GLU 113 N 0.00 3.73 0.23 5.56 -1.05 -0.60 -2.48 118.70 124.08 1q56 s GLU 113 Ca 0.00 1.83 0.05 0.00 -0.15 0.00 0.00 54.97 56.69 1q56 s GLU 113 Cb 0.00 -4.10 -0.03 0.00 -0.44 0.00 0.00 34.13 29.56 1q56 s GLU 113 CO 0.00 -1.38 0.34 0.20 0.95 0.00 0.00 175.26 175.37 1q56 s GLY 114 N 4.88 1.30 0.01 -3.83 0.00 0.48 0.13 107.32 110.29 1q56 s GLY 114 Ca 0.78 -1.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 1q56 s GLY 114 CO 0.32 -1.22 0.01 -0.45 0.00 0.00 0.00 173.10 171.75 1q56 s SER 115 N -3.86 0.17 -0.09 1.64 0.15 -0.87 -1.30 113.70 109.54 1q56 s SER 115 Ca 0.34 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.56 1q56 s SER 115 Cb -0.09 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1q56 s SER 115 CO 0.29 -0.28 0.22 -0.22 1.20 0.00 0.00 173.24 174.45 1q56 s LEU 116 N -1.28 0.57 0.02 3.45 1.98 0.22 -1.71 118.68 121.93 1q56 s LEU 116 Ca -0.14 0.46 0.02 0.00 -2.89 0.00 0.00 54.13 51.59 1q56 s LEU 116 Cb -0.08 0.65 -0.02 0.00 0.66 0.00 0.00 46.19 47.40 1q56 s LEU 116 CO -0.00 -0.15 -0.07 -1.10 -1.89 0.00 0.00 176.35 173.13 1q56 s GLN 117 N 1.11 0.53 -0.38 1.98 -0.21 -0.96 0.14 119.66 121.88 1q56 s GLN 117 Ca -0.08 -0.51 -0.21 0.00 0.02 0.00 0.00 55.36 54.57 1q56 s GLN 117 Cb -0.10 -0.41 0.01 0.00 1.00 0.00 0.00 33.01 33.51 1q56 s GLN 117 CO -0.07 0.10 0.69 0.54 -2.12 0.00 0.00 175.29 174.43 1q56 s VAL 118 N -0.79 4.82 -1.43 1.09 0.11 -1.26 -1.86 120.40 121.08 1q56 s VAL 118 Ca -0.04 0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 1q56 s VAL 118 Cb -0.06 -4.15 0.04 0.00 -1.53 0.00 0.00 36.38 30.68 1q56 s VAL 118 CO 0.00 -0.41 0.74 0.61 -3.33 0.00 0.00 175.10 172.71 1q56 n GLY 119 N 4.70 -0.35 2.94 6.54 0.00 0.58 -1.65 105.19 117.95 1q56 n GLY 119 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1q56 n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q56 n ASN 120 N -2.94 -4.12 -0.43 1.61 5.03 -1.26 -5.03 115.26 108.12 1q56 n ASN 120 Ca -0.17 -0.41 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1q56 n ASN 120 Cb 0.62 -3.83 0.00 0.00 -1.02 0.00 0.00 39.78 35.55 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1q56 n GLU 121 N -3.62 2.85 -1.59 3.52 1.02 -0.66 -4.98 120.64 117.18 1q56 n GLU 121 Ca -0.07 0.00 -0.54 0.00 -0.02 0.00 0.00 57.16 56.54 1q56 n GLU 121 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.92 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 0.48 -2.33 0.62 0.00 -1.26 -4.54 120.51 110.48 1q56 n ALA 122 Ca 0.00 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1q56 n ALA 122 Cb 0.00 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 1q56 n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q56 s PRO 123 N 4.75 4.16 -0.28 0.00 0.04 -1.26 -4.50 135.00 137.91 1q56 s PRO 123 Ca 1.03 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 63.53 1q56 s PRO 123 Cb -0.95 -3.83 -0.00 0.00 0.04 0.00 0.00 34.50 29.75 1q56 s PRO 123 CO 0.57 -0.82 0.79 0.42 0.04 0.00 0.00 177.00 178.00 1q56 s ILE 124 N 3.81 4.82 0.36 0.56 1.01 0.38 -4.68 121.20 127.47 1q56 s ILE 124 Ca 0.59 1.31 0.04 0.00 0.00 0.00 0.00 60.65 62.59 1q56 s ILE 124 Cb -0.23 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 1q56 s ILE 124 CO 0.19 -0.16 0.06 0.42 0.00 0.00 0.00 174.94 175.44 1q56 s THR 125 N 2.88 1.22 0.00 2.92 -4.23 -1.26 -0.61 115.64 116.56 1q56 s THR 125 Ca 0.33 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1q56 s THR 125 Cb -0.15 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1q56 s THR 125 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1q56 n GLY 126 N -0.79 2.19 3.53 3.99 0.00 -0.42 -4.94 105.19 108.75 1q56 n GLY 126 Ca -0.04 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 3.73 1.21 1.61 0.01 -1.26 0.18 113.70 119.18 1q56 s SER 127 Ca 0.00 -1.13 -0.15 0.00 1.31 0.00 0.00 55.95 55.98 1q56 s SER 127 Cb 0.00 -0.35 0.23 0.00 0.21 0.00 0.00 66.02 66.10 1q56 s SER 127 CO 0.00 -0.13 0.73 -0.24 0.41 0.00 0.00 173.24 174.01 1q56 n SER 128 N -0.75 -2.16 -1.76 2.44 2.88 -1.04 -4.78 113.62 108.45 1q56 n SER 128 Ca -0.05 -0.89 -0.02 0.00 -1.33 0.00 0.00 58.87 56.58 1q56 n SER 128 Cb 0.62 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 1q56 n SER 128 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1q56 n PRO 129 N -4.02 0.91 -2.35 -1.46 -0.04 -1.26 -4.68 135.00 122.09 1q56 n PRO 129 Ca 0.10 -0.18 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1q56 n PRO 129 Cb 0.41 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1q56 n PRO 129 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q56 n LEU 130 N 1.88 -0.13 -3.78 1.53 4.77 -1.26 -4.81 117.00 115.20 1q56 n LEU 130 Ca 0.08 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.85 1q56 n LEU 130 Cb 0.44 -0.83 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 1q56 n LEU 130 CO 0.04 0.02 -0.37 -0.83 -1.33 0.00 0.00 177.39 174.92 1q56 s GLY 131 N -1.72 0.94 0.00 -0.72 0.00 -1.26 -4.88 107.32 99.68 1q56 s GLY 131 Ca 0.13 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1q56 s GLY 131 CO 0.17 1.39 0.00 0.00 0.00 0.00 0.00 173.10 174.65 1q56 n ALA 132 N 4.91 0.00 -2.37 3.20 0.00 -1.26 -4.33 120.51 120.65 1q56 n ALA 132 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1q56 n ALA 132 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1q56 n ALA 132 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1q56 n THR 133 N 0.00 0.00 -3.24 0.00 5.66 -1.26 -4.81 114.28 110.63 1q56 n THR 133 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1q56 n THR 133 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1q56 n THR 133 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1q56 s GLN 134 N -4.73 0.53 -0.28 1.09 -0.21 -1.26 -5.00 119.66 109.79 1q56 s GLN 134 Ca 0.00 1.01 -0.21 0.00 0.02 0.00 0.00 55.36 56.18 1q56 s GLN 134 Cb 0.00 0.57 0.12 0.00 1.00 0.00 0.00 33.01 34.70 1q56 s GLN 134 CO 0.00 -0.50 0.94 -1.17 -2.12 0.00 0.00 175.29 172.45 1q56 s LEU 135 N 2.86 -0.56 0.34 2.90 2.96 -1.26 -4.66 118.68 121.26 1q56 s LEU 135 Ca 0.14 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 55.10 1q56 s LEU 135 Cb -0.14 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.47 1q56 s LEU 135 CO -0.20 -0.16 0.30 -1.81 -1.32 0.00 0.00 176.35 173.16 1q56 s ASP 136 N 0.80 1.69 -0.10 3.68 1.01 -1.26 -3.82 116.67 118.66 1q56 s ASP 136 Ca -0.03 -1.76 0.02 0.00 0.71 0.00 0.00 52.55 51.49 1q56 s ASP 136 Cb -0.05 0.57 -0.01 0.00 1.01 0.00 0.00 42.92 44.44 1q56 s ASP 136 CO -0.10 -1.09 -0.16 0.28 0.21 0.00 0.00 175.17 174.31 1q56 s THR 137 N -3.39 2.83 -1.67 -1.27 -1.32 -1.26 -4.91 115.64 104.65 1q56 s THR 137 Ca 0.40 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 1q56 s THR 137 Cb 0.02 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 1q56 s THR 137 CO 0.28 0.55 0.78 -0.90 -2.21 0.00 0.00 174.62 173.12 1q56 n ASP 138 N 3.21 0.31 -1.21 8.08 5.75 -1.26 -4.77 116.55 126.66 1q56 n ASP 138 Ca -0.18 -1.88 -0.13 0.00 -0.01 0.00 0.00 54.79 52.59 1q56 n ASP 138 Cb 0.53 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.30 1.23 3.28 6.12 0.00 -1.26 -4.88 105.19 109.98 1q56 n GLY 139 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.05 1.55 0.05 4.61 0.00 -1.26 -3.06 121.76 121.59 1q56 s ALA 140 Ca 0.00 -1.81 -0.27 0.00 0.00 0.00 0.00 51.96 49.89 1q56 s ALA 140 Cb 0.00 1.18 0.07 0.00 0.00 0.00 0.00 23.12 24.37 1q56 s ALA 140 CO 0.00 -0.51 0.67 -1.17 0.00 0.00 0.00 175.76 174.75 1q56 s LEU 141 N -3.26 -0.58 -0.02 0.00 2.96 -1.00 -4.79 118.68 111.98 1q56 s LEU 141 Ca 0.38 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1q56 s LEU 141 Cb 0.07 2.51 -0.00 0.00 0.50 0.00 0.00 46.19 49.27 1q56 s LEU 141 CO 0.13 -0.77 -0.10 0.26 -1.32 0.00 0.00 176.35 174.54 1q56 s TRP 142 N -2.56 1.05 -0.05 5.38 0.52 -0.91 -0.86 118.94 121.52 1q56 s TRP 142 Ca -0.04 -0.25 -0.02 0.00 0.02 0.00 0.00 56.10 55.81 1q56 s TRP 142 Cb -0.01 -0.72 0.03 0.00 -1.15 0.00 0.00 33.47 31.62 1q56 s TRP 142 CO -0.03 -0.09 0.08 -1.17 0.02 0.00 0.00 176.95 175.76 1q56 s LEU 143 N 0.07 0.41 0.00 2.99 2.96 -1.06 0.25 118.68 124.30 1q56 s LEU 143 Ca -0.01 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1q56 s LEU 143 Cb -0.08 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.62 1q56 s LEU 143 CO 0.00 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 1q56 n GLY 144 N 4.89 1.02 0.00 7.98 0.00 0.80 -3.16 105.19 116.72 1q56 n GLY 144 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1q56 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q56 n GLY 145 N 0.00 0.37 3.55 -0.02 0.00 -1.01 -3.00 105.19 105.08 1q56 n GLY 145 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.29 0.17 1.61 -1.94 -1.26 -4.69 119.30 113.49 1q56 s MET 146 Ca 0.00 0.57 0.14 0.00 -1.71 0.00 0.00 55.69 54.70 1q56 s MET 146 Cb 0.00 0.17 0.71 0.00 2.01 0.00 0.00 34.83 37.72 1q56 s MET 146 CO 0.00 -0.07 1.44 -1.91 -0.01 0.00 0.00 175.02 174.47 1q56 n GLU 147 N 4.03 0.09 -2.90 2.03 2.13 -1.26 -2.96 120.64 121.80 1q56 n GLU 147 Ca -0.15 0.51 -0.13 0.00 0.66 0.00 0.00 57.16 58.05 1q56 n GLU 147 Cb 0.56 -1.75 0.04 0.00 0.27 0.00 0.00 31.44 30.56 1q56 n GLU 147 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1q56 n ARG 148 N -1.93 0.96 -0.16 5.31 0.00 -1.26 -5.00 116.66 114.59 1q56 n ARG 148 Ca 0.00 -2.43 -0.01 0.00 -0.00 0.00 0.00 57.85 55.41 1q56 n ARG 148 Cb 0.07 -1.29 -0.02 0.00 -0.00 0.00 0.00 32.46 31.23 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 0.53 1.17 0.05 2.89 7.94 -1.15 -4.14 117.00 124.28 1q56 n LEU 149 Ca 0.13 -0.77 0.19 0.00 -1.11 0.00 0.00 56.01 54.45 1q56 n LEU 149 Cb 0.67 -0.28 0.71 0.00 0.53 0.00 0.00 43.42 45.06 1q56 n LEU 149 CO 0.10 0.12 1.17 0.77 -1.11 0.00 0.00 177.39 178.44 1q56 h SER 150 N 4.21 0.00 0.00 1.96 4.64 -1.94 -3.36 113.55 119.06 1q56 h SER 150 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1q56 h SER 150 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1q56 h SER 150 CO 0.19 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.70 1q56 n VAL 151 N -4.22 0.00 -1.31 0.95 3.14 -1.26 -4.41 118.33 111.22 1q56 n VAL 151 Ca 0.08 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.33 1q56 n VAL 151 Cb 0.55 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.27 1q56 n VAL 151 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q56 n ALA 152 N -3.00 -0.19 -0.96 1.55 0.00 -1.26 -4.86 120.51 111.80 1q56 n ALA 152 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1q56 n ALA 152 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1q56 n ALA 152 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1q56 n HIS 153 N -1.90 0.00 0.14 0.00 8.25 -1.26 -4.21 115.22 116.23 1q56 n HIS 153 Ca -0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.39 1q56 n HIS 153 Cb 0.48 -0.02 0.30 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.69 0.08 -3.11 -0.41 -0.00 -1.26 -4.56 118.16 108.21 1q56 n LYS 154 Ca 0.00 0.52 -0.18 0.00 -0.00 0.00 0.00 58.31 58.66 1q56 n LYS 154 Cb 0.00 -2.02 0.01 0.00 -0.00 0.00 0.00 35.03 33.01 1q56 n LYS 154 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1q56 s LEU 155 N -3.85 3.72 0.00 -5.58 0.05 -1.26 -5.11 118.68 106.66 1q56 s LEU 155 Ca -0.01 -0.33 -0.15 0.00 0.05 0.00 0.00 54.13 53.69 1q56 s LEU 155 Cb 0.03 -2.70 0.22 0.00 -2.05 0.00 0.00 46.19 41.69 1q56 s LEU 155 CO 0.10 -0.70 0.73 -0.81 -0.55 0.00 0.00 176.35 175.12 1q56 n PRO 156 N -1.82 -2.71 0.13 1.48 -0.04 -1.26 -4.88 135.00 125.90 1q56 n PRO 156 Ca 0.06 -1.17 0.10 0.00 -0.04 0.00 0.00 63.50 62.44 1q56 n PRO 156 Cb 0.59 -1.15 0.48 0.00 -0.04 0.00 0.00 33.50 33.38 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 -3.92 0.13 -0.49 0.54 4.01 -1.26 -3.14 118.16 114.02 1q56 n LYS 157 Ca 0.10 0.57 0.40 0.00 -0.51 0.00 0.00 58.31 58.88 1q56 n LYS 157 Cb 0.41 -1.87 0.69 0.00 -0.51 0.00 0.00 35.03 33.75 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q56 h ALA 158 N 2.06 2.94 0.00 7.82 0.00 -1.89 2.26 119.26 132.45 1q56 h ALA 158 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1q56 h ALA 158 Cb 0.07 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1q56 h ALA 158 CO 0.00 -1.58 -1.28 1.88 0.00 0.00 0.00 179.25 178.27 1q56 h TYR 159 N 0.04 0.01 0.00 0.00 -1.99 -1.86 0.19 116.97 113.36 1q56 h TYR 159 Ca 0.86 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.58 1q56 h TYR 159 Cb 2.84 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.57 1q56 h TYR 159 CO -0.00 1.01 0.00 0.43 -0.00 0.00 0.00 178.16 179.59 1q56 n SER 160 N -3.24 0.00 -3.71 3.88 7.64 0.75 -3.82 113.62 115.12 1q56 n SER 160 Ca -0.07 0.40 -0.29 0.00 1.01 0.00 0.00 58.87 59.92 1q56 n SER 160 Cb 0.98 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1q56 s THR 161 N -2.89 1.60 0.98 0.44 2.01 -0.31 -5.10 115.64 112.37 1q56 s THR 161 Ca 0.08 -2.96 -0.21 0.00 0.31 0.00 0.00 61.69 58.91 1q56 s THR 161 Cb 0.08 -2.10 -0.17 0.00 0.01 0.00 0.00 72.50 70.32 1q56 s THR 161 CO 0.22 -0.96 -1.12 0.61 -0.69 0.00 0.00 174.62 172.68 1q56 n GLY 162 N 3.10 -3.88 3.78 4.40 0.00 -1.11 -3.86 105.19 107.61 1q56 n GLY 162 Ca 0.14 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1q56 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q56 s PHE 163 N -1.96 3.66 -0.52 1.61 5.36 -1.16 -4.29 117.98 120.67 1q56 s PHE 163 Ca 0.38 1.77 0.07 0.00 -0.96 0.00 0.00 56.93 58.19 1q56 s PHE 163 Cb -0.05 -2.97 0.27 0.00 -0.34 0.00 0.00 43.02 39.92 1q56 s PHE 163 CO 0.74 0.09 0.69 -0.89 -1.46 0.00 0.00 175.22 174.39 1q56 n ILE 164 N 0.58 1.12 -2.82 3.12 5.41 -1.26 0.51 119.36 126.02 1q56 n ILE 164 Ca 0.02 -4.77 0.00 0.00 1.00 0.00 0.00 62.75 59.00 1q56 n ILE 164 Cb 0.50 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 1q56 n ILE 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q56 n GLY 165 N 0.87 3.94 3.40 7.39 0.00 -1.22 -4.04 105.19 115.53 1q56 n GLY 165 Ca 0.26 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.99 0.99 -0.04 0.00 1.01 -1.13 0.26 121.20 121.31 1q56 s ILE 167 Ca 0.14 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.15 1q56 s ILE 167 Cb -0.10 -1.06 0.08 0.00 0.01 0.00 0.00 42.46 41.39 1q56 s ILE 167 CO 0.06 -0.32 0.72 -0.60 0.00 0.00 0.00 174.94 174.80 1q56 s ARG 168 N -1.94 1.01 -0.56 2.79 6.06 -0.67 -3.20 118.95 122.45 1q56 s ARG 168 Ca -0.02 0.12 -0.12 0.00 -2.50 0.00 0.00 55.73 53.21 1q56 s ARG 168 Cb -0.09 0.47 0.02 0.00 0.06 0.00 0.00 34.95 35.42 1q56 s ARG 168 CO 0.02 -0.34 0.64 -0.25 -2.50 0.00 0.00 175.30 172.87 1q56 n ASP 169 N 0.66 -7.42 -3.96 -2.12 8.00 -1.26 -2.11 116.55 108.34 1q56 n ASP 169 Ca -0.17 0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.21 1q56 n ASP 169 Cb 0.58 -4.70 -0.17 0.00 -0.02 0.00 0.00 41.12 36.82 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q56 s VAL 170 N -2.65 1.16 0.11 2.53 -7.23 -1.26 -3.51 120.40 109.55 1q56 s VAL 170 Ca 0.16 -0.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.97 1q56 s VAL 170 Cb -0.04 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 1q56 s VAL 170 CO 0.78 0.38 -0.10 -0.63 -0.31 0.00 0.00 175.10 175.23 1q56 s ILE 171 N 1.41 0.99 -0.25 -0.62 1.01 -0.18 -3.13 121.20 120.43 1q56 s ILE 171 Ca 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 60.65 58.88 1q56 s ILE 171 Cb -0.13 -1.49 0.08 0.00 0.01 0.00 0.00 42.46 40.92 1q56 s ILE 171 CO -0.06 -0.61 0.07 -0.69 0.00 0.00 0.00 174.94 173.65 1q56 s VAL 172 N -2.69 0.57 -1.60 2.92 1.01 -1.17 -0.88 120.40 118.56 1q56 s VAL 172 Ca 0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1q56 s VAL 172 Cb -0.01 -1.27 0.11 0.00 0.00 0.00 0.00 36.38 35.21 1q56 s VAL 172 CO -0.00 -0.47 0.88 0.47 0.00 0.00 0.00 175.10 175.98 1q56 n ASP 173 N 5.00 -3.95 -0.81 3.32 9.92 -0.92 0.53 116.55 129.64 1q56 n ASP 173 Ca -0.06 -0.89 -0.08 0.00 -0.53 0.00 0.00 54.79 53.24 1q56 n ASP 173 Cb 0.44 -3.38 -0.01 0.00 -0.64 0.00 0.00 41.12 37.54 1q56 n ASP 173 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1q56 n ARG 174 N -4.54 -0.59 -3.30 -1.24 3.00 -1.26 -5.04 116.66 103.69 1q56 n ARG 174 Ca 0.04 0.46 -0.21 0.00 -0.01 0.00 0.00 57.85 58.13 1q56 n ARG 174 Cb 0.52 -4.37 0.04 0.00 0.00 0.00 0.00 32.46 28.65 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 -3.98 2.33 5.07 5.56 -0.21 0.19 -4.89 119.66 123.73 1q56 s GLN 175 Ca 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 53.66 1q56 s GLN 175 Cb 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1q56 s GLN 175 CO 0.00 -0.73 0.00 -1.91 -2.12 0.00 0.00 175.29 170.53 1q56 n GLU 176 N -2.05 0.00 0.00 2.91 2.13 -1.26 -3.04 120.64 119.33 1q56 n GLU 176 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1q56 n GLU 176 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 1q56 n GLU 176 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1q56 n LEU 177 N 0.00 0.00 -4.05 4.31 4.77 -1.18 -4.66 117.00 116.19 1q56 n LEU 177 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1q56 n LEU 177 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1q56 n LEU 177 CO 0.00 0.00 2.40 1.41 -1.33 0.00 0.00 177.39 179.87 1q56 n HIS 178 N 0.00 3.95 0.03 -1.77 8.25 -1.26 -4.78 115.22 119.64 1q56 n HIS 178 Ca 0.00 -2.93 -0.14 0.00 -0.26 0.00 0.00 57.72 54.39 1q56 n HIS 178 Cb 0.00 -2.57 -0.08 0.00 1.12 0.00 0.00 29.99 28.46 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 10.87 -1.54 -0.80 2.41 3.38 -1.94 -2.37 115.31 125.33 1q56 h LEU 179 Ca 0.52 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.67 1q56 h LEU 179 Cb 0.73 0.60 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1q56 h LEU 179 CO 1.72 -0.48 0.00 0.58 0.09 0.00 0.00 178.44 180.35 1q56 h VAL 180 N -0.59 0.00 0.49 1.22 2.07 -1.94 -2.23 116.25 115.27 1q56 h VAL 180 Ca 0.04 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1q56 h VAL 180 Cb 0.68 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1q56 h VAL 180 CO -0.38 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 176.64 1q56 h GLU 181 N 0.00 -0.64 0.00 1.57 5.08 -1.81 -2.30 114.58 116.49 1q56 h GLU 181 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1q56 h GLU 181 Cb 0.70 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1q56 h GLU 181 CO 0.00 -0.42 0.00 -0.44 -1.00 0.00 0.00 179.01 177.15 1q56 h ASP 182 N -0.95 0.00 0.53 1.42 5.19 -1.65 -2.38 116.42 118.57 1q56 h ASP 182 Ca -0.07 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 1q56 h ASP 182 Cb 0.51 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1q56 h ASP 182 CO 0.11 0.00 -0.31 0.00 -3.12 0.00 0.00 179.24 175.92 1q56 h ALA 183 N 2.02 1.23 0.00 3.45 0.00 -1.36 -1.93 119.26 122.67 1q56 h ALA 183 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1q56 h ALA 183 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1q56 h ALA 183 CO 0.00 0.39 0.10 -0.07 0.00 0.00 0.00 179.25 179.67 1q56 h LEU 184 N 0.00 0.00 -1.24 0.00 3.38 -0.86 -0.46 115.31 116.13 1q56 h LEU 184 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q56 h LEU 184 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1q56 h LEU 184 CO 0.04 0.00 0.07 -3.20 0.09 0.00 0.00 178.44 175.44 1q56 n ASN 185 N -2.46 0.48 -4.23 -0.43 4.05 -0.73 -4.47 115.26 107.48 1q56 n ASN 185 Ca -0.02 0.70 -0.22 0.00 0.45 0.00 0.00 54.58 55.49 1q56 n ASN 185 Cb 0.14 -0.74 -0.13 0.00 1.23 0.00 0.00 39.78 40.28 1q56 n ASN 185 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1q56 s ASN 186 N -3.84 2.15 0.02 1.20 2.47 -0.18 -5.04 114.94 111.72 1q56 s ASN 186 Ca -0.02 -0.62 -0.20 0.00 0.42 0.00 0.00 52.86 52.45 1q56 s ASN 186 Cb 0.05 -0.11 -0.19 0.00 -1.45 0.00 0.00 41.25 39.55 1q56 s ASN 186 CO 0.17 0.02 1.19 1.55 -3.72 0.00 0.00 177.10 176.32 1q56 h PRO 187 N 4.34 0.41 -5.91 0.43 0.13 -1.84 -3.42 132.00 126.14 1q56 h PRO 187 Ca -0.43 -0.35 -0.51 0.00 -0.87 0.00 0.00 66.00 63.84 1q56 h PRO 187 Cb 1.18 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1q56 h PRO 187 CO 0.41 0.99 1.45 0.99 -0.23 0.00 0.00 178.00 181.60 1q56 s THR 188 N -3.61 3.22 -0.30 1.56 2.01 -1.26 -4.88 115.64 112.38 1q56 s THR 188 Ca -0.14 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1q56 s THR 188 Cb 0.04 -3.46 0.13 0.00 0.01 0.00 0.00 72.50 69.22 1q56 s THR 188 CO 0.80 -0.41 0.24 -0.63 -0.69 0.00 0.00 174.62 173.94 1q56 s ILE 189 N 9.63 -0.26 0.14 1.82 1.01 -1.26 -4.92 121.20 127.37 1q56 s ILE 189 Ca 0.84 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.87 1q56 s ILE 189 Cb -0.18 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1q56 s ILE 189 CO 0.27 -0.59 -0.05 -0.76 0.00 0.00 0.00 174.94 173.80 1q56 s LEU 190 N 2.13 3.18 0.00 2.97 1.43 -1.26 -5.01 118.68 122.12 1q56 s LEU 190 Ca 0.10 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1q56 s LEU 190 Cb -0.15 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.23 1q56 s LEU 190 CO -0.30 0.13 0.43 1.41 0.23 0.00 0.00 176.35 178.25 1q56 n HIS 191 N 0.24 -2.94 -3.99 0.29 8.25 -1.26 0.17 115.22 115.98 1q56 n HIS 191 Ca -0.11 -0.92 -0.27 0.00 -0.26 0.00 0.00 57.72 56.16 1q56 n HIS 191 Cb 0.54 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 1q56 n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q56 s SER 193 N -2.98 2.20 -0.30 0.00 0.01 -1.26 -4.95 113.70 106.42 1q56 s SER 193 Ca 0.33 -1.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 1q56 s SER 193 Cb -0.11 -0.06 0.19 0.00 0.21 0.00 0.00 66.02 66.25 1q56 s SER 193 CO 0.26 -0.50 0.92 0.00 0.41 0.00 0.00 173.24 174.33 1q56 s ALA 194 N -3.29 -3.61 0.00 1.44 0.00 -1.26 -5.17 121.76 109.86 1q56 s ALA 194 Ca 0.31 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1q56 s ALA 194 Cb 0.06 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1q56 s ALA 194 CO 0.12 -2.08 0.00 0.36 0.00 0.00 0.00 175.76 174.15