#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 -4.44 1.61 2.88 -1.26 -4.75 113.62 107.66 1q56 n SER 2 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 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 0.00 0.48 -3.62 -1.46 4.07 -1.26 -4.96 120.64 113.89 1q56 n GLU 3 Ca 0.00 0.17 -0.03 0.00 -0.06 0.00 0.00 57.16 57.24 1q56 n GLU 3 Cb 0.00 -1.38 -0.02 0.00 -0.06 0.00 0.00 31.44 29.97 1q56 n GLU 3 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1q56 s LYS 4 N -1.39 0.18 0.09 5.31 -2.85 -1.26 -5.17 119.74 114.65 1q56 s LYS 4 Ca 0.62 -0.06 0.05 0.00 -1.00 0.00 0.00 55.97 55.58 1q56 s LYS 4 Cb -0.67 0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.14 1q56 s LYS 4 CO 0.59 -0.08 -0.02 0.14 0.10 0.00 0.00 175.35 176.08 1q56 s VAL 5 N -2.15 3.91 0.33 1.79 -7.23 -1.26 -5.10 120.40 110.69 1q56 s VAL 5 Ca 0.10 -1.02 -0.25 0.00 -1.81 0.00 0.00 61.98 59.00 1q56 s VAL 5 Cb -0.01 -2.85 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 1q56 s VAL 5 CO -0.04 0.13 0.93 0.27 -0.31 0.00 0.00 175.10 176.08 1q56 s ILE 6 N -1.28 4.25 -0.31 -0.62 -4.36 -1.26 -5.04 121.20 112.58 1q56 s ILE 6 Ca 0.25 1.76 0.03 0.00 -0.26 0.00 0.00 60.65 62.42 1q56 s ILE 6 Cb -0.12 -3.96 0.09 0.00 1.25 0.00 0.00 42.46 39.72 1q56 s ILE 6 CO 0.17 0.10 0.01 -0.51 0.24 0.00 0.00 174.94 174.95 1q56 s ILE 7 N -1.67 1.95 -0.18 8.37 2.07 -1.26 -5.08 121.20 125.40 1q56 s ILE 7 Ca 0.51 -1.92 0.01 0.00 -1.41 0.00 0.00 60.65 57.84 1q56 s ILE 7 Cb -0.17 -2.34 0.02 0.00 0.13 0.00 0.00 42.46 40.09 1q56 s ILE 7 CO 0.22 -0.43 -0.19 -0.70 -1.91 0.00 0.00 174.94 171.93 1q56 s GLU 8 N 1.11 2.92 0.64 3.50 2.12 -1.26 -5.12 118.70 122.61 1q56 s GLU 8 Ca 0.05 -0.80 -0.14 0.00 0.36 0.00 0.00 54.97 54.44 1q56 s GLU 8 Cb -0.19 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 1q56 s GLU 8 CO -0.10 -0.21 1.06 0.15 -0.54 0.00 0.00 175.26 175.63 1q56 s LYS 9 N 1.29 3.13 -0.39 4.30 1.02 -1.26 -4.99 119.74 122.84 1q56 s LYS 9 Ca 0.05 1.14 -0.24 0.00 0.02 0.00 0.00 55.97 56.94 1q56 s LYS 9 Cb -0.13 -2.01 0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1q56 s LYS 9 CO -0.12 -0.96 0.81 0.00 -0.92 0.00 0.00 175.35 174.16 1q56 s ALA 10 N -2.65 3.37 -0.79 5.17 0.00 -1.26 -4.94 121.76 120.67 1q56 s ALA 10 Ca 0.62 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 51.58 1q56 s ALA 10 Cb -0.16 -3.44 -0.26 0.00 0.00 0.00 0.00 23.12 19.27 1q56 s ALA 10 CO 0.43 -1.66 1.95 0.00 0.00 0.00 0.00 175.76 176.48 1q56 n ALA 11 N 6.61 0.69 0.00 0.00 0.00 -1.26 -4.62 120.51 121.93 1q56 n ALA 11 Ca 0.04 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1q56 n ALA 11 Cb 0.48 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 5.71 3.61 0.00 0.00 0.00 -1.26 -5.09 105.19 108.15 1q56 n GLY 12 Ca 0.43 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 -2.04 1.61 2.03 -1.26 -5.11 116.55 111.78 1q56 n ASP 13 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1q56 n ASP 13 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1q56 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q56 n ALA 14 N -1.04 -3.20 -3.15 -1.67 0.00 -1.26 -5.08 120.51 105.12 1q56 n ALA 14 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1q56 n ALA 14 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 0.23 2.59 -4.07 0.00 0.28 -1.26 -4.94 120.64 113.47 1q56 n GLU 15 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.83 1q56 n GLU 15 Cb 0.02 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.73 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 -2.00 0.48 -0.15 -1.84 0.00 -1.26 -4.51 121.76 112.48 1q56 s ALA 16 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1q56 s ALA 16 Cb 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1q56 s ALA 16 CO 0.00 -0.01 -0.09 0.42 0.00 0.00 0.00 175.76 176.08 1q56 s ILE 17 N 0.75 1.31 0.14 0.00 -1.09 -1.15 -3.43 121.20 117.72 1q56 s ILE 17 Ca -0.09 -0.59 -0.24 0.00 -2.23 0.00 0.00 60.65 57.50 1q56 s ILE 17 Cb -0.12 -1.34 -0.08 0.00 -1.58 0.00 0.00 42.46 39.34 1q56 s ILE 17 CO -0.01 0.30 0.73 0.00 -1.23 0.00 0.00 174.94 174.73 1q56 s ALA 18 N 1.57 3.48 0.25 9.38 0.00 -0.85 -2.46 121.76 133.14 1q56 s ALA 18 Ca 0.03 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.35 1q56 s ALA 18 Cb -0.14 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1q56 s ALA 18 CO -0.09 0.32 0.13 -0.06 0.00 0.00 0.00 175.76 176.06 1q56 s PHE 19 N -1.13 2.98 -0.49 0.00 0.40 0.23 -4.45 117.98 115.53 1q56 s PHE 19 Ca 0.34 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.57 1q56 s PHE 19 Cb -0.22 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 41.98 1q56 s PHE 19 CO 0.24 0.55 0.50 -0.40 0.70 0.00 0.00 175.22 176.82 1q56 n ASP 20 N -1.08 1.02 0.00 1.36 5.75 -1.25 -3.74 116.55 118.61 1q56 n ASP 20 Ca -0.07 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 1q56 n ASP 20 Cb 0.58 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1q56 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q56 n GLY 21 N 0.56 2.52 0.73 6.12 0.00 -0.19 -4.80 105.19 110.14 1q56 n GLY 21 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.05 1.70 -1.14 1.61 3.00 -1.26 -0.92 116.66 118.59 1q56 n ARG 22 Ca 0.00 -3.33 -0.29 0.00 -0.00 0.00 0.00 57.85 54.23 1q56 n ARG 22 Cb 0.00 -1.67 0.20 0.00 0.00 0.00 0.00 32.46 30.99 1q56 n ARG 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1q56 s THR 23 N -3.30 1.86 -0.43 5.15 2.01 -1.26 -5.00 115.64 114.68 1q56 s THR 23 Ca 0.39 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1q56 s THR 23 Cb 0.38 -2.49 0.23 0.00 0.01 0.00 0.00 72.50 70.62 1q56 s THR 23 CO -0.06 0.00 0.98 0.00 -0.69 0.00 0.00 174.62 174.86 1q56 n TYR 24 N -4.40 -2.20 -2.81 4.92 9.36 -1.26 -4.09 117.16 116.67 1q56 n TYR 24 Ca 0.08 -1.16 -0.43 0.00 3.32 0.00 0.00 57.90 59.71 1q56 n TYR 24 Cb 0.58 1.33 -0.04 0.00 -0.63 0.00 0.00 39.34 40.58 1q56 n TYR 24 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1q56 s MET 25 N 0.66 3.15 -0.05 2.98 -1.94 -1.15 -4.85 119.30 118.09 1q56 s MET 25 Ca 0.28 -0.80 -0.15 0.00 -1.71 0.00 0.00 55.69 53.31 1q56 s MET 25 Cb 0.15 -4.27 -0.05 0.00 2.01 0.00 0.00 34.83 32.67 1q56 s MET 25 CO -0.13 -1.87 0.39 -1.83 -0.01 0.00 0.00 175.02 171.58 1q56 s GLU 26 N 4.24 4.03 -0.27 2.03 -1.05 -1.26 -0.97 118.70 125.46 1q56 s GLU 26 Ca 0.25 0.34 -0.01 0.00 -0.15 0.00 0.00 54.97 55.40 1q56 s GLU 26 Cb -0.15 -3.30 0.08 0.00 -0.44 0.00 0.00 34.13 30.33 1q56 s GLU 26 CO 0.10 0.52 0.05 0.71 0.95 0.00 0.00 175.26 177.58 1q56 s TYR 27 N -0.49 1.75 -0.24 4.83 2.02 0.45 -4.66 117.35 121.02 1q56 s TYR 27 Ca 0.23 -1.57 -0.06 0.00 -0.37 0.00 0.00 57.07 55.30 1q56 s TYR 27 Cb -0.16 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1q56 s TYR 27 CO 0.11 -0.79 0.03 -1.01 -1.57 0.00 0.00 175.55 172.32 1q56 s HIS 28 N 1.61 3.04 0.27 2.71 3.76 -1.26 -0.83 115.29 124.58 1q56 s HIS 28 Ca 0.04 -0.59 -0.16 0.00 -0.15 0.00 0.00 55.06 54.20 1q56 s HIS 28 Cb -0.18 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.33 1q56 s HIS 28 CO -0.16 -0.42 0.59 -0.80 -0.85 0.00 0.00 174.74 173.10 1q56 s ASN 29 N 1.54 -0.12 0.20 1.40 0.01 -1.13 -5.06 114.94 111.79 1q56 s ASN 29 Ca 0.06 -0.83 -0.02 0.00 -0.71 0.00 0.00 52.86 51.36 1q56 s ASN 29 Cb -0.15 0.66 -0.05 0.00 0.41 0.00 0.00 41.25 42.13 1q56 s ASN 29 CO 0.01 -1.26 0.41 0.00 -1.51 0.00 0.00 177.10 174.75 1q56 s ALA 30 N -3.87 3.80 0.00 0.60 0.00 -1.26 -4.58 121.76 116.45 1q56 s ALA 30 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1q56 s ALA 30 Cb -0.03 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1q56 s ALA 30 CO 0.09 0.45 0.73 1.55 0.00 0.00 0.00 175.76 178.57 1q56 n VAL 31 N -0.58 0.00 -3.49 0.00 3.14 -1.26 -5.05 118.33 111.09 1q56 n VAL 31 Ca -0.04 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.21 1q56 n VAL 31 Cb 0.53 0.29 -0.04 0.00 -1.06 0.00 0.00 33.84 33.57 1q56 n VAL 31 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1q56 s THR 32 N 0.00 0.00 -1.02 1.55 -1.32 -1.26 -5.03 115.64 108.56 1q56 s THR 32 Ca 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 1q56 s THR 32 Cb 0.00 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 1q56 s THR 32 CO 0.00 0.00 1.02 1.17 -2.21 0.00 0.00 174.62 174.60 1q56 n LYS 33 N 0.21 3.28 0.00 7.08 4.81 -1.26 -4.80 118.16 127.48 1q56 n LYS 33 Ca -0.15 -4.48 0.00 0.00 -0.87 0.00 0.00 58.31 52.81 1q56 n LYS 33 Cb 0.61 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.17 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 2.34 0.00 -4.74 3.14 3.41 -1.26 -4.92 113.62 111.59 1q56 n SER 34 Ca 0.24 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.53 1q56 n SER 34 Cb 0.38 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1q56 n SER 34 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1q56 s GLU 35 N 0.00 1.99 0.00 4.33 2.12 -1.26 -5.04 118.70 120.85 1q56 s GLU 35 Ca 0.00 1.40 0.00 0.00 0.36 0.00 0.00 54.97 56.73 1q56 s GLU 35 Cb 0.00 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.54 1q56 s GLU 35 CO 0.00 -1.88 0.00 0.36 -0.54 0.00 0.00 175.26 173.20 1q56 n LYS 36 N -3.40 0.00 -2.30 4.30 0.00 -1.26 -4.85 118.16 110.65 1q56 n LYS 36 Ca 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.38 1q56 n LYS 36 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.52 1q56 n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q56 n ALA 37 N -3.00 -3.50 -2.00 0.58 0.00 -1.26 -4.99 120.51 106.33 1q56 n ALA 37 Ca 0.00 1.53 -0.22 0.00 0.00 0.00 0.00 53.44 54.75 1q56 n ALA 37 Cb 0.00 -2.99 0.09 0.00 0.00 0.00 0.00 19.45 16.55 1q56 n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q56 s LEU 38 N -0.60 3.04 -0.02 0.00 2.01 -1.26 -4.98 118.68 116.87 1q56 s LEU 38 Ca -0.17 -0.48 0.17 0.00 0.01 0.00 0.00 54.13 53.66 1q56 s LEU 38 Cb 0.01 -1.95 -0.20 0.00 0.01 0.00 0.00 46.19 44.07 1q56 s LEU 38 CO 0.57 -1.66 0.60 0.00 1.01 0.00 0.00 176.35 176.87 1q56 n GLN 39 N -2.62 0.64 -3.64 1.70 10.64 -1.26 -4.87 117.38 117.97 1q56 n GLN 39 Ca 0.15 0.12 -0.08 0.00 -1.83 0.00 0.00 57.00 55.37 1q56 n GLN 39 Cb 0.61 -1.71 -0.07 0.00 -0.86 0.00 0.00 30.24 28.21 1q56 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1q56 s SER 40 N -5.58 -0.72 0.11 2.61 1.04 -1.26 -2.54 113.70 107.36 1q56 s SER 40 Ca -0.05 1.23 0.02 0.00 0.48 0.00 0.00 55.95 57.62 1q56 s SER 40 Cb 0.09 1.28 -0.04 0.00 0.10 0.00 0.00 66.02 67.45 1q56 s SER 40 CO 0.83 -0.20 0.22 0.20 0.98 0.00 0.00 173.24 175.27 1q56 s ASN 41 N 1.09 6.21 -0.03 7.02 0.02 -0.86 -4.86 114.94 123.54 1q56 s ASN 41 Ca -0.06 0.17 0.06 0.00 -1.02 0.00 0.00 52.86 52.02 1q56 s ASN 41 Cb -0.05 -1.86 -0.01 0.00 0.02 0.00 0.00 41.25 39.35 1q56 s ASN 41 CO -0.12 0.11 -0.21 -1.00 0.02 0.00 0.00 177.10 175.90 1q56 s HIS 42 N -1.61 1.91 -0.05 2.20 3.76 -1.26 -0.93 115.29 119.31 1q56 s HIS 42 Ca 0.34 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1q56 s HIS 42 Cb -0.12 -1.25 0.02 0.00 1.11 0.00 0.00 32.58 32.35 1q56 s HIS 42 CO 0.27 -0.09 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.98 1q56 s PHE 43 N -0.31 0.71 0.05 1.40 0.08 0.22 -2.45 117.98 117.67 1q56 s PHE 43 Ca 0.03 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.92 1q56 s PHE 43 Cb -0.10 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 1q56 s PHE 43 CO 0.01 -0.21 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.60 1q56 s GLU 44 N 1.09 0.65 0.00 0.44 2.02 0.58 -0.56 118.70 122.91 1q56 s GLU 44 Ca -0.08 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1q56 s GLU 44 Cb -0.14 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.57 1q56 s GLU 44 CO -0.01 0.11 0.00 1.47 0.02 0.00 0.00 175.26 176.85 1q56 n LEU 45 N 1.55 0.00 -4.42 1.80 -0.00 -1.11 0.35 117.00 115.17 1q56 n LEU 45 Ca -0.21 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.53 1q56 n LEU 45 Cb 0.55 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.85 1q56 n LEU 45 CO 0.21 0.00 -0.53 -0.44 -0.00 0.00 0.00 177.39 176.63 1q56 s SER 46 N 0.00 3.42 0.29 1.45 0.01 -0.13 -0.42 113.70 118.31 1q56 s SER 46 Ca 0.00 -0.86 -0.09 0.00 1.31 0.00 0.00 55.95 56.30 1q56 s SER 46 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1q56 s SER 46 CO 0.00 0.12 0.49 0.27 0.41 0.00 0.00 173.24 174.53 1q56 s ILE 47 N -1.66 0.00 -0.56 1.44 -4.36 -0.98 -0.54 121.20 114.54 1q56 s ILE 47 Ca 0.20 -1.46 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1q56 s ILE 47 Cb -0.08 -2.41 0.16 0.00 1.25 0.00 0.00 42.46 41.38 1q56 s ILE 47 CO 0.10 0.00 0.38 -0.75 0.24 0.00 0.00 174.94 174.91 1q56 s LYS 48 N -3.59 1.77 0.85 0.37 2.20 0.71 -1.43 119.74 120.63 1q56 s LYS 48 Ca 0.25 -2.69 -0.11 0.00 -0.36 0.00 0.00 55.97 53.07 1q56 s LYS 48 Cb -0.01 -2.66 0.10 0.00 -1.51 0.00 0.00 37.83 33.76 1q56 s LYS 48 CO 0.13 -1.27 1.10 0.95 -0.36 0.00 0.00 175.35 175.90 1q56 s THR 49 N -0.59 2.82 0.00 3.43 -4.23 -1.26 -1.57 115.64 114.24 1q56 s THR 49 Ca 0.25 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1q56 s THR 49 Cb -0.08 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1q56 s THR 49 CO -0.13 -0.35 0.38 -0.62 -0.54 0.00 0.00 174.62 173.37 1q56 n GLU 50 N -3.84 0.00 0.00 3.99 -0.58 -1.11 -2.04 120.64 117.06 1q56 n GLU 50 Ca 0.09 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1q56 n GLU 50 Cb 0.53 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 1q56 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q56 n ALA 51 N 0.00 1.33 0.00 0.62 0.00 -1.26 -5.02 120.51 116.19 1q56 n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q56 n ALA 51 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1q56 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q56 n THR 52 N -0.33 0.00 -4.88 0.00 -2.24 -1.26 -4.78 114.28 100.78 1q56 n THR 52 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1q56 n THR 52 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1q56 n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1q56 s GLN 53 N 0.00 2.11 0.00 -0.78 0.74 -1.25 -1.73 119.66 118.74 1q56 s GLN 53 Ca 0.00 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 54.78 1q56 s GLN 53 Cb 0.00 -1.72 0.00 0.00 1.10 0.00 0.00 33.01 32.39 1q56 s GLN 53 CO 0.00 0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 1q56 n GLY 54 N 3.42 3.41 3.72 2.59 0.00 -0.65 -4.77 105.19 112.92 1q56 n GLY 54 Ca -0.20 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1q56 n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q56 s LEU 55 N 0.00 4.32 -0.10 0.99 2.96 -0.04 0.53 118.68 127.34 1q56 s LEU 55 Ca 0.00 1.23 0.19 0.00 -0.22 0.00 0.00 54.13 55.33 1q56 s LEU 55 Cb 0.00 -3.12 -0.26 0.00 0.50 0.00 0.00 46.19 43.31 1q56 s LEU 55 CO 0.00 -0.12 0.32 -0.38 -1.32 0.00 0.00 176.35 174.85 1q56 n ILE 56 N 3.76 0.94 -3.56 6.68 5.41 0.57 -2.70 119.36 130.46 1q56 n ILE 56 Ca -0.01 -0.72 -0.14 0.00 1.00 0.00 0.00 62.75 62.88 1q56 n ILE 56 Cb 0.51 -0.37 -0.05 0.00 -0.71 0.00 0.00 39.64 39.02 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 -5.25 -0.15 -0.26 1.39 0.20 -0.39 0.19 118.68 114.41 1q56 s LEU 57 Ca -0.08 0.16 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 1q56 s LEU 57 Cb 0.09 2.20 0.14 0.00 -0.43 0.00 0.00 46.19 48.19 1q56 s LEU 57 CO 0.85 -0.75 0.52 0.86 -0.29 0.00 0.00 176.35 177.54 1q56 s TRP 58 N -2.61 -1.19 0.40 5.38 -0.11 -0.59 0.87 118.94 121.09 1q56 s TRP 58 Ca -0.04 1.60 0.06 0.00 1.22 0.00 0.00 56.10 58.93 1q56 s TRP 58 Cb -0.00 0.43 -0.02 0.00 -1.50 0.00 0.00 33.47 32.38 1q56 s TRP 58 CO -0.03 -0.71 0.20 -1.12 -4.62 0.00 0.00 176.95 170.67 1q56 s SER 59 N 2.74 2.52 0.00 5.86 0.01 0.63 -1.63 113.70 123.83 1q56 s SER 59 Ca 0.08 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.58 1q56 s SER 59 Cb -0.14 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1q56 s SER 59 CO -0.18 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1q56 n GLY 60 N -0.85 -0.61 0.00 3.44 0.00 -1.25 -2.59 105.19 103.33 1q56 n GLY 60 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1q56 n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q56 n LYS 61 N 0.00 0.00 0.00 1.61 3.00 -1.25 -1.30 118.16 120.22 1q56 n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1q56 n LYS 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 -0.25 1.16 3.14 0.00 -1.26 -4.81 105.19 103.18 1q56 n GLY 62 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 -2.31 0.99 7.94 -1.26 -5.02 117.00 117.33 1q56 n LEU 63 Ca 0.00 -1.02 -0.27 0.00 -1.11 0.00 0.00 56.01 53.62 1q56 n LEU 63 Cb 0.00 0.11 0.01 0.00 0.53 0.00 0.00 43.42 44.08 1q56 n LEU 63 CO 0.00 -0.15 1.43 -1.84 -1.11 0.00 0.00 177.39 175.73 1q56 n GLU 64 N -0.41 2.30 -1.17 1.96 0.28 -1.26 -4.03 120.64 118.31 1q56 n GLU 64 Ca -0.07 -2.41 -0.01 0.00 -0.16 0.00 0.00 57.16 54.52 1q56 n GLU 64 Cb 0.21 -2.01 0.01 0.00 1.43 0.00 0.00 31.44 31.07 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 0.18 0.10 -4.72 3.44 1.85 -1.26 -4.93 116.66 111.31 1q56 n ARG 65 Ca 0.46 -0.14 -0.23 0.00 -1.00 0.00 0.00 57.85 56.94 1q56 n ARG 65 Cb 0.54 0.25 -0.15 0.00 -1.05 0.00 0.00 32.46 32.04 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 -0.13 1.82 0.32 2.89 0.15 -1.26 -5.04 113.70 112.45 1q56 s SER 66 Ca 0.01 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1q56 s SER 66 Cb 0.03 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1q56 s SER 66 CO -0.01 0.19 0.00 -0.67 1.20 0.00 0.00 173.24 173.95 1q56 n ASP 67 N 2.69 -7.53 -4.14 5.45 2.03 -1.26 -4.57 116.55 109.22 1q56 n ASP 67 Ca -0.14 1.29 -0.40 0.00 0.52 0.00 0.00 54.79 56.06 1q56 n ASP 67 Cb 0.55 -4.45 -0.03 0.00 -0.72 0.00 0.00 41.12 36.47 1q56 n ASP 67 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1q56 n TYR 68 N 0.42 4.31 -3.20 -0.67 4.02 0.56 -4.73 117.16 117.88 1q56 n TYR 68 Ca 0.00 -3.81 -0.44 0.00 -0.01 0.00 0.00 57.90 53.63 1q56 n TYR 68 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 39.34 37.97 1q56 n TYR 68 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1q56 n ILE 69 N 2.21 4.67 -4.76 -0.72 2.08 -1.07 -2.12 119.36 119.65 1q56 n ILE 69 Ca 0.24 -5.37 -0.33 0.00 0.56 0.00 0.00 62.75 57.85 1q56 n ILE 69 Cb 0.37 -2.48 -0.07 0.00 -0.75 0.00 0.00 39.64 36.71 1q56 n ILE 69 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1q56 s ALA 70 N -1.15 4.12 -0.34 -1.39 0.00 -0.73 0.23 121.76 122.50 1q56 s ALA 70 Ca 0.33 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1q56 s ALA 70 Cb -0.06 0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.29 1q56 s ALA 70 CO -0.03 -0.04 0.37 -0.51 0.00 0.00 0.00 175.76 175.55 1q56 s LEU 71 N -3.87 -0.32 0.53 0.00 1.43 0.25 -2.17 118.68 114.54 1q56 s LEU 71 Ca 0.04 -1.09 0.04 0.00 -1.03 0.00 0.00 54.13 52.09 1q56 s LEU 71 Cb 0.01 0.72 0.03 0.00 0.03 0.00 0.00 46.19 46.97 1q56 s LEU 71 CO 0.02 -0.31 0.31 0.00 0.23 0.00 0.00 176.35 176.61 1q56 s ALA 72 N 1.91 4.35 -0.01 4.21 0.00 -1.08 0.21 121.76 131.35 1q56 s ALA 72 Ca 0.13 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1q56 s ALA 72 Cb -0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1q56 s ALA 72 CO -0.17 -0.34 -0.13 0.42 0.00 0.00 0.00 175.76 175.53 1q56 s ILE 73 N -2.79 1.06 -0.01 0.00 1.01 0.19 0.41 121.20 121.07 1q56 s ILE 73 Ca 0.28 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1q56 s ILE 73 Cb -0.01 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1q56 s ILE 73 CO 0.17 0.30 0.02 0.54 0.00 0.00 0.00 174.94 175.97 1q56 s VAL 74 N -0.27 -0.01 -2.11 2.92 0.11 0.23 -1.64 120.40 119.63 1q56 s VAL 74 Ca 0.04 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1q56 s VAL 74 Cb -0.06 -0.04 0.00 0.00 -1.53 0.00 0.00 36.38 34.76 1q56 s VAL 74 CO -0.00 0.01 0.00 0.47 -3.33 0.00 0.00 175.10 172.24 1q56 n ASP 75 N 3.17 -5.31 0.00 3.54 8.00 -1.17 -0.78 116.55 124.00 1q56 n ASP 75 Ca -0.13 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1q56 n ASP 75 Cb 0.59 -4.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 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 -0.40 0.66 2.96 0.44 0.00 -0.71 -5.02 105.19 103.12 1q56 n GLY 76 Ca -0.20 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 0.74 1.05 1.61 0.40 0.04 -2.81 117.98 117.01 1q56 s PHE 77 Ca 0.00 -0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 55.99 1q56 s PHE 77 Cb 0.00 -0.55 0.23 0.00 0.51 0.00 0.00 43.02 43.21 1q56 s PHE 77 CO 0.00 -0.09 1.24 0.08 0.70 0.00 0.00 175.22 177.15 1q56 s VAL 78 N 0.26 1.85 -0.29 -0.44 1.01 -1.26 0.78 120.40 122.31 1q56 s VAL 78 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1q56 s VAL 78 Cb -0.08 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.60 1q56 s VAL 78 CO 0.00 0.00 0.79 0.00 0.00 0.00 0.00 175.10 175.89 1q56 s GLN 79 N -5.71 0.56 -0.87 2.72 -2.07 0.17 -1.28 119.66 113.18 1q56 s GLN 79 Ca 0.73 1.06 -0.24 0.00 -1.82 0.00 0.00 55.36 55.09 1q56 s GLN 79 Cb -0.06 0.26 0.06 0.00 -1.09 0.00 0.00 33.01 32.18 1q56 s GLN 79 CO 0.54 -0.13 1.29 1.41 -1.32 0.00 0.00 175.29 177.07 1q56 s MET 80 N 1.81 3.40 -0.13 9.60 -2.45 -1.08 -2.64 119.30 127.81 1q56 s MET 80 Ca -0.09 -0.89 -0.29 0.00 -1.25 0.00 0.00 55.69 53.17 1q56 s MET 80 Cb -0.06 -4.77 -0.02 0.00 1.25 0.00 0.00 34.83 31.23 1q56 s MET 80 CO -0.18 -2.08 1.32 1.41 1.05 0.00 0.00 175.02 176.54 1q56 s MET 81 N 4.78 4.23 -0.35 4.11 1.75 -0.92 -3.13 119.30 129.78 1q56 s MET 81 Ca 0.37 1.76 0.01 0.00 -1.25 0.00 0.00 55.69 56.58 1q56 s MET 81 Cb -0.05 -3.78 0.14 0.00 2.84 0.00 0.00 34.83 33.98 1q56 s MET 81 CO 0.01 -0.71 0.27 -0.47 -0.65 0.00 0.00 175.02 173.47 1q56 s TYR 82 N 3.45 0.23 0.14 4.11 5.04 -0.79 -1.78 117.35 127.76 1q56 s TYR 82 Ca 0.58 -1.17 0.07 0.00 -2.44 0.00 0.00 57.07 54.12 1q56 s TYR 82 Cb -0.24 -0.70 -0.04 0.00 0.35 0.00 0.00 41.96 41.33 1q56 s TYR 82 CO 0.18 -0.89 -0.07 0.16 -1.34 0.00 0.00 175.55 173.59 1q56 s ASP 83 N 1.38 4.48 0.00 4.32 -4.77 -0.90 -2.87 116.67 118.31 1q56 s ASP 83 Ca 0.16 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 1q56 s ASP 83 Cb -0.19 -0.87 0.00 0.00 -1.09 0.00 0.00 42.92 40.77 1q56 s ASP 83 CO -0.06 0.14 0.00 0.00 0.70 0.00 0.00 175.17 175.95 1q56 n LEU 84 N 0.35 0.73 -0.09 2.11 -0.00 -1.26 0.21 117.00 119.04 1q56 n LEU 84 Ca -0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.79 1q56 n LEU 84 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.83 1q56 n LEU 84 CO 0.35 0.12 -1.10 0.61 -0.00 0.00 0.00 177.39 177.38 1q56 n GLY 85 N 2.03 -0.66 0.00 1.47 0.00 -1.26 -4.36 105.19 102.40 1q56 n GLY 85 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1q56 n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q56 n SER 86 N -2.78 0.00 -4.27 1.61 7.64 -1.26 -5.05 113.62 109.51 1q56 n SER 86 Ca -0.31 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.13 1q56 n SER 86 Cb 1.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.15 1q56 n SER 86 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1q56 s LYS 87 N 0.00 3.02 -0.02 1.43 1.02 -1.26 -5.02 119.74 118.92 1q56 s LYS 87 Ca 0.00 -2.02 -0.30 0.00 0.02 0.00 0.00 55.97 53.67 1q56 s LYS 87 Cb 0.00 -4.20 -0.05 0.00 -0.52 0.00 0.00 37.83 33.05 1q56 s LYS 87 CO 0.00 -1.27 1.43 -1.25 -0.92 0.00 0.00 175.35 173.34 1q56 s PRO 88 N 0.96 4.26 -0.26 -1.68 0.04 -1.26 -4.22 135.00 132.84 1q56 s PRO 88 Ca 0.09 1.98 -0.21 0.00 0.04 0.00 0.00 61.00 62.90 1q56 s PRO 88 Cb -0.22 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.66 1q56 s PRO 88 CO -0.02 -0.63 0.67 0.54 0.04 0.00 0.00 177.00 177.60 1q56 s VAL 89 N 2.73 4.95 -1.07 -0.36 0.11 -1.14 -4.70 120.40 120.92 1q56 s VAL 89 Ca 0.65 1.18 -0.10 0.00 -2.93 0.00 0.00 61.98 60.77 1q56 s VAL 89 Cb -0.31 -3.97 0.26 0.00 -1.53 0.00 0.00 36.38 30.83 1q56 s VAL 89 CO 0.26 -0.01 1.07 0.54 -3.33 0.00 0.00 175.10 173.63 1q56 s VAL 90 N 2.58 5.88 -1.22 2.04 0.11 -1.26 -1.88 120.40 126.65 1q56 s VAL 90 Ca 0.28 -3.20 -0.20 0.00 -2.93 0.00 0.00 61.98 55.92 1q56 s VAL 90 Cb -0.15 -4.60 0.04 0.00 -1.53 0.00 0.00 36.38 30.13 1q56 s VAL 90 CO 0.09 -1.19 1.73 -0.76 -3.33 0.00 0.00 175.10 171.63 1q56 s LEU 91 N -0.82 3.64 1.32 2.54 1.43 -1.18 -4.76 118.68 120.85 1q56 s LEU 91 Ca 0.29 -2.10 -0.20 0.00 -1.03 0.00 0.00 54.13 51.09 1q56 s LEU 91 Cb -0.10 -2.58 0.32 0.00 0.03 0.00 0.00 46.19 43.86 1q56 s LEU 91 CO -0.08 -1.56 0.77 0.54 0.23 0.00 0.00 176.35 176.25 1q56 n ARG 92 N 8.48 -3.77 -3.49 1.70 1.74 -1.26 -2.64 116.66 117.42 1q56 n ARG 92 Ca 0.45 -1.11 -0.24 0.00 -0.77 0.00 0.00 57.85 56.18 1q56 n ARG 92 Cb 0.47 -1.90 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.66 6.32 0.00 0.55 0.15 -0.40 -4.61 113.70 113.04 1q56 s SER 93 Ca 0.62 0.41 0.21 0.00 0.70 0.00 0.00 55.95 57.89 1q56 s SER 93 Cb -0.15 -2.01 0.53 0.00 -1.71 0.00 0.00 66.02 62.68 1q56 s SER 93 CO 0.56 -0.23 1.45 0.41 1.20 0.00 0.00 173.24 176.63 1q56 n THR 94 N -1.55 0.86 -4.31 6.45 -1.04 -1.26 -4.84 114.28 108.59 1q56 n THR 94 Ca -0.05 -0.93 -0.20 0.00 -2.04 0.00 0.00 64.05 60.83 1q56 n THR 94 Cb 0.56 0.64 -0.13 0.00 -1.82 0.00 0.00 70.33 69.57 1q56 n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1q56 s VAL 95 N -1.11 1.12 0.61 12.58 1.01 -1.26 -5.13 120.40 128.22 1q56 s VAL 95 Ca 0.42 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1q56 s VAL 95 Cb 0.23 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1q56 s VAL 95 CO 0.30 -0.05 1.12 -2.16 0.00 0.00 0.00 175.10 174.31 1q56 s PRO 96 N -1.29 3.02 0.00 2.72 0.04 -1.26 -4.76 135.00 133.48 1q56 s PRO 96 Ca 0.01 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1q56 s PRO 96 Cb -0.08 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1q56 s PRO 96 CO 0.01 -1.09 0.00 1.51 0.04 0.00 0.00 177.00 177.48 1q56 n ILE 97 N -1.97 0.00 -1.02 0.56 3.06 -1.12 -4.90 119.36 113.96 1q56 n ILE 97 Ca 0.11 0.00 -0.33 0.00 -2.50 0.00 0.00 62.75 60.02 1q56 n ILE 97 Cb 0.52 -0.22 -0.03 0.00 0.54 0.00 0.00 39.64 40.45 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 -0.89 4.04 -0.34 9.51 0.23 -1.26 -3.98 115.26 122.58 1q56 n ASN 98 Ca 0.00 -2.53 0.02 0.00 -0.53 0.00 0.00 54.58 51.54 1q56 n ASN 98 Cb 0.13 -1.18 0.02 0.00 -2.08 0.00 0.00 39.78 36.68 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 4.99 0.36 -1.85 5.53 5.66 -1.26 -4.84 114.28 122.88 1q56 n THR 99 Ca 0.49 -0.43 -0.18 0.00 -3.05 0.00 0.00 64.05 60.88 1q56 n THR 99 Cb 0.27 0.44 -0.05 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.27 -4.97 -4.59 1.09 5.03 -0.87 -4.96 115.26 105.73 1q56 n ASN 100 Ca 0.03 0.30 -0.31 0.00 0.87 0.00 0.00 54.58 55.48 1q56 n ASN 100 Cb 0.65 -4.34 -0.10 0.00 -1.02 0.00 0.00 39.78 34.97 1q56 n ASN 100 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1q56 s HIS 101 N -2.67 2.80 -0.47 3.10 3.76 -1.26 -4.89 115.29 115.66 1q56 s HIS 101 Ca 0.00 -0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 54.53 1q56 s HIS 101 Cb 0.00 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.16 1q56 s HIS 101 CO 0.00 0.40 1.87 -1.58 -0.85 0.00 0.00 174.74 174.58 1q56 s TRP 102 N -1.13 1.69 0.49 1.40 0.52 -1.25 -4.30 118.94 116.35 1q56 s TRP 102 Ca 0.20 0.78 0.07 0.00 0.02 0.00 0.00 56.10 57.17 1q56 s TRP 102 Cb -0.11 -4.07 0.04 0.00 -1.15 0.00 0.00 33.47 28.18 1q56 s TRP 102 CO 0.12 -2.62 0.67 0.99 0.02 0.00 0.00 176.95 176.12 1q56 s THR 103 N 8.28 2.71 -0.02 2.01 2.01 -0.51 -4.85 115.64 125.27 1q56 s THR 103 Ca 0.75 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.88 1q56 s THR 103 Cb -0.18 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 1q56 s THR 103 CO 0.27 0.00 -0.20 -2.28 -0.69 0.00 0.00 174.62 171.72 1q56 s HIS 104 N -2.52 1.80 0.15 4.92 2.46 -1.26 -2.32 115.29 118.52 1q56 s HIS 104 Ca 0.57 -0.35 0.06 0.00 0.47 0.00 0.00 55.06 55.81 1q56 s HIS 104 Cb -0.09 -1.16 -0.04 0.00 -0.13 0.00 0.00 32.58 31.16 1q56 s HIS 104 CO 0.36 -0.04 -0.13 0.42 -2.47 0.00 0.00 174.74 172.87 1q56 s ILE 105 N -0.44 1.39 0.05 0.89 1.01 0.44 0.24 121.20 124.78 1q56 s ILE 105 Ca 0.07 -1.93 -0.09 0.00 0.00 0.00 0.00 60.65 58.70 1q56 s ILE 105 Cb -0.08 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1q56 s ILE 105 CO -0.01 -0.55 0.18 -0.75 0.00 0.00 0.00 174.94 173.82 1q56 s LYS 106 N -3.19 0.73 -0.28 2.79 2.47 0.60 -2.76 119.74 120.10 1q56 s LYS 106 Ca 0.14 -0.75 -0.09 0.00 -1.56 0.00 0.00 55.97 53.71 1q56 s LYS 106 Cb -0.02 0.30 0.12 0.00 -1.46 0.00 0.00 37.83 36.77 1q56 s LYS 106 CO 0.03 -0.22 0.60 0.00 0.16 0.00 0.00 175.35 175.92 1q56 s ALA 107 N -2.99 -1.86 -0.24 3.13 0.00 0.27 0.10 121.76 120.17 1q56 s ALA 107 Ca -0.02 2.13 -0.00 0.00 0.00 0.00 0.00 51.96 54.07 1q56 s ALA 107 Cb 0.01 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.50 1q56 s ALA 107 CO -0.06 -0.91 0.01 1.52 0.00 0.00 0.00 175.76 176.31 1q56 s TYR 108 N 2.83 1.93 0.17 0.00 1.13 -0.96 0.70 117.35 123.15 1q56 s TYR 108 Ca -0.04 -1.56 -0.26 0.00 -1.41 0.00 0.00 57.07 53.80 1q56 s TYR 108 Cb -0.12 -1.53 -0.08 0.00 -1.10 0.00 0.00 41.96 39.13 1q56 s TYR 108 CO -0.18 -0.76 0.79 0.50 -2.51 0.00 0.00 175.55 173.40 1q56 s ARG 109 N 1.55 4.60 -0.42 -3.49 3.00 -0.11 -2.48 118.95 121.59 1q56 s ARG 109 Ca -0.00 1.19 0.02 0.00 -1.00 0.00 0.00 55.73 55.94 1q56 s ARG 109 Cb -0.18 -3.26 0.14 0.00 0.00 0.00 0.00 34.95 31.65 1q56 s ARG 109 CO -0.11 0.57 0.25 0.08 0.00 0.00 0.00 175.30 176.08 1q56 s VAL 110 N -1.15 1.07 -0.03 7.11 1.01 0.27 -2.02 120.40 126.66 1q56 s VAL 110 Ca 0.36 -2.40 -0.02 0.00 0.00 0.00 0.00 61.98 59.92 1q56 s VAL 110 Cb -0.23 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1q56 s VAL 110 CO 0.27 -0.94 0.04 0.00 0.00 0.00 0.00 175.10 174.47 1q56 n GLN 111 N 3.58 -1.83 0.00 2.72 6.02 -1.05 -2.62 117.38 124.19 1q56 n GLN 111 Ca 0.11 1.51 0.00 0.00 -0.01 0.00 0.00 57.00 58.61 1q56 n GLN 111 Cb 0.36 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.90 1q56 n GLN 111 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1q56 n ARG 112 N 2.25 0.00 -2.74 -1.09 0.63 -1.26 -4.81 116.66 109.63 1q56 n ARG 112 Ca -0.07 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.43 1q56 n ARG 112 Cb 0.11 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.99 1q56 n ARG 112 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1q56 s GLU 113 N 0.00 4.11 0.12 -0.14 -1.05 -1.08 -1.37 118.70 119.30 1q56 s GLU 113 Ca 0.00 1.02 0.04 0.00 -0.15 0.00 0.00 54.97 55.89 1q56 s GLU 113 Cb 0.00 -3.70 -0.04 0.00 -0.44 0.00 0.00 34.13 29.95 1q56 s GLU 113 CO 0.00 -0.73 0.10 0.20 0.95 0.00 0.00 175.26 175.78 1q56 s GLY 114 N 1.49 1.86 0.15 -3.83 0.00 -0.83 0.96 107.32 107.10 1q56 s GLY 114 Ca 0.41 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 44.03 1q56 s GLY 114 CO 0.11 -1.13 -0.05 -0.45 0.00 0.00 0.00 173.10 171.59 1q56 s SER 115 N -2.75 1.42 0.04 1.64 0.15 -1.04 -0.88 113.70 112.29 1q56 s SER 115 Ca 0.30 -1.08 -0.06 0.00 0.70 0.00 0.00 55.95 55.81 1q56 s SER 115 Cb -0.11 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 1q56 s SER 115 CO 0.22 -0.46 0.11 -0.22 1.20 0.00 0.00 173.24 174.09 1q56 s LEU 116 N -3.14 1.74 -0.29 3.45 1.98 -0.51 -2.28 118.68 119.63 1q56 s LEU 116 Ca 0.19 -0.54 -0.13 0.00 -2.89 0.00 0.00 54.13 50.76 1q56 s LEU 116 Cb 0.05 0.67 0.13 0.00 0.66 0.00 0.00 46.19 47.69 1q56 s LEU 116 CO 0.01 -0.54 0.76 -1.58 -1.89 0.00 0.00 176.35 173.11 1q56 s GLN 117 N -2.75 0.53 -0.46 1.98 0.74 0.28 0.37 119.66 120.35 1q56 s GLN 117 Ca -0.04 1.18 -0.28 0.00 0.05 0.00 0.00 55.36 56.27 1q56 s GLN 117 Cb -0.00 0.55 -0.01 0.00 1.10 0.00 0.00 33.01 34.65 1q56 s GLN 117 CO -0.05 -0.16 1.66 0.14 -0.55 0.00 0.00 175.29 176.34 1q56 s VAL 118 N 2.38 3.59 0.00 1.34 -7.23 -1.26 0.22 120.40 119.44 1q56 s VAL 118 Ca -0.06 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1q56 s VAL 118 Cb -0.08 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1q56 s VAL 118 CO -0.18 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 1q56 n GLY 119 N 5.39 1.75 0.00 2.32 0.00 0.65 -3.06 105.19 112.24 1q56 n GLY 119 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1q56 n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q56 n ASN 120 N 3.48 0.00 -0.45 1.61 2.85 -1.26 -4.70 115.26 116.79 1q56 n ASN 120 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1q56 n ASN 120 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1q56 n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1q56 n GLU 121 N 0.00 2.84 -1.41 1.20 4.71 -1.17 -4.88 120.64 121.93 1q56 n GLU 121 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 57.16 56.67 1q56 n GLU 121 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 31.44 30.29 1q56 n GLU 121 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1q56 n ALA 122 N -3.00 0.27 -2.26 0.62 0.00 -1.26 -4.76 120.51 110.12 1q56 n ALA 122 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1q56 n ALA 122 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 7.91 4.31 -0.73 0.00 0.04 -1.26 -4.73 135.00 140.55 1q56 s PRO 123 Ca 1.30 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 64.01 1q56 s PRO 123 Cb -1.34 -3.50 0.04 0.00 0.04 0.00 0.00 34.50 29.75 1q56 s PRO 123 CO 0.55 -0.51 1.19 0.42 0.04 0.00 0.00 177.00 178.70 1q56 s ILE 124 N 2.03 3.91 0.58 0.56 1.09 0.16 -4.75 121.20 124.79 1q56 s ILE 124 Ca 0.63 0.12 0.07 0.00 -1.10 0.00 0.00 60.65 60.37 1q56 s ILE 124 Cb -0.31 -4.86 0.08 0.00 -1.06 0.00 0.00 42.46 36.32 1q56 s ILE 124 CO 0.27 -1.74 0.80 0.42 -0.10 0.00 0.00 174.94 174.59 1q56 s THR 125 N 5.19 2.27 0.00 2.92 -4.23 -1.26 -1.42 115.64 119.11 1q56 s THR 125 Ca 0.32 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1q56 s THR 125 Cb -0.10 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1q56 s THR 125 CO 0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1q56 n GLY 126 N -2.32 0.67 3.60 3.99 0.00 -0.05 -4.88 105.19 106.20 1q56 n GLY 126 Ca 0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1q56 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q56 s SER 127 N 1.44 -0.17 0.99 1.61 0.01 -1.26 -1.97 113.70 114.36 1q56 s SER 127 Ca 0.00 0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.26 1q56 s SER 127 Cb 0.00 0.15 0.16 0.00 0.21 0.00 0.00 66.02 66.54 1q56 s SER 127 CO 0.00 -0.20 0.93 -1.54 0.41 0.00 0.00 173.24 172.84 1q56 n SER 128 N 0.32 0.09 0.44 2.44 3.41 -0.47 -4.90 113.62 114.96 1q56 n SER 128 Ca -0.03 -1.35 -0.18 0.00 -0.26 0.00 0.00 58.87 57.06 1q56 n SER 128 Cb 0.58 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1q56 n SER 128 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1q56 h PRO 129 N 0.00 -1.11 0.00 4.33 0.13 -1.92 -3.47 132.00 129.96 1q56 h PRO 129 Ca -0.30 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1q56 h PRO 129 Cb 0.83 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1q56 h PRO 129 CO 0.21 -0.74 0.00 1.47 -0.23 0.00 0.00 178.00 178.72 1q56 n LEU 130 N -5.53 0.00 0.00 1.56 -0.00 -1.26 -5.06 117.00 106.71 1q56 n LEU 130 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1q56 n LEU 130 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1q56 n LEU 130 CO 0.34 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.34 1q56 n GLY 131 N 0.00 1.97 3.47 1.47 0.00 -1.26 -4.75 105.19 106.10 1q56 n GLY 131 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1q56 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q56 n ALA 132 N 0.04 1.35 0.09 4.61 0.00 -1.26 -4.53 120.51 120.81 1q56 n ALA 132 Ca 0.00 -2.75 0.04 0.00 0.00 0.00 0.00 53.44 50.73 1q56 n ALA 132 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 19.45 15.89 1q56 n ALA 132 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1q56 h THR 133 N 5.71 0.43 -3.79 0.00 2.02 -2.00 -3.44 112.91 111.83 1q56 h THR 133 Ca 0.20 -1.74 -0.63 0.00 0.77 0.00 0.00 66.41 65.01 1q56 h THR 133 Cb 0.85 2.00 -0.17 0.00 -1.74 0.00 0.00 68.15 69.08 1q56 h THR 133 CO 1.51 0.24 -0.52 0.00 0.37 0.00 0.00 175.52 177.12 1q56 s GLN 134 N -3.06 3.96 -0.28 6.66 -2.07 -1.26 -4.82 119.66 118.79 1q56 s GLN 134 Ca 0.00 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 1q56 s GLN 134 Cb 0.08 -3.60 0.17 0.00 -1.09 0.00 0.00 33.01 28.57 1q56 s GLN 134 CO 0.78 -0.11 0.49 -1.17 -1.32 0.00 0.00 175.29 173.96 1q56 s LEU 135 N 1.54 -1.08 0.26 2.60 1.98 -1.26 -5.08 118.68 117.64 1q56 s LEU 135 Ca 0.07 0.34 -0.30 0.00 -2.89 0.00 0.00 54.13 51.35 1q56 s LEU 135 Cb -0.15 1.62 -0.10 0.00 0.66 0.00 0.00 46.19 48.22 1q56 s LEU 135 CO 0.09 -0.30 1.34 -1.81 -1.89 0.00 0.00 176.35 173.78 1q56 s ASP 136 N 2.70 6.80 -0.29 3.68 1.01 -1.26 -4.54 116.67 124.77 1q56 s ASP 136 Ca 0.15 2.57 0.01 0.00 0.71 0.00 0.00 52.55 55.99 1q56 s ASP 136 Cb -0.14 -2.63 0.18 0.00 1.01 0.00 0.00 42.92 41.34 1q56 s ASP 136 CO -0.22 -0.56 0.53 0.28 0.21 0.00 0.00 175.17 175.41 1q56 s THR 137 N -0.40 -0.88 0.00 -1.27 -1.32 -1.26 -3.87 115.64 106.63 1q56 s THR 137 Ca 0.54 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 1q56 s THR 137 Cb -0.39 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 1q56 s THR 137 CO 0.45 -0.06 0.00 -0.90 -2.21 0.00 0.00 174.62 171.90 1q56 n ASP 138 N 5.41 0.00 0.28 8.08 5.68 -0.42 -4.94 116.55 130.63 1q56 n ASP 138 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.46 1q56 n ASP 138 Cb 0.51 0.00 0.80 0.00 -1.14 0.00 0.00 41.12 41.29 1q56 n ASP 138 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1q56 h GLY 139 N 0.00 0.00 -2.85 6.12 0.00 -1.84 -3.42 103.07 101.08 1q56 h GLY 139 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1q56 h GLY 139 CO 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.05 1q56 s ALA 140 N -4.22 0.42 -0.22 3.60 0.00 -1.25 -2.83 121.76 117.27 1q56 s ALA 140 Ca -0.04 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.49 1q56 s ALA 140 Cb 0.10 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.12 1q56 s ALA 140 CO 0.34 -0.55 0.72 -1.17 0.00 0.00 0.00 175.76 175.09 1q56 s LEU 141 N -3.00 -0.72 0.04 0.00 2.96 -0.01 -3.86 118.68 114.08 1q56 s LEU 141 Ca 0.20 1.26 0.04 0.00 -0.22 0.00 0.00 54.13 55.41 1q56 s LEU 141 Cb 0.06 2.48 -0.02 0.00 0.50 0.00 0.00 46.19 49.20 1q56 s LEU 141 CO 0.00 -0.34 -0.12 0.26 -1.32 0.00 0.00 176.35 174.84 1q56 s TRP 142 N -0.01 1.02 -0.22 5.38 0.52 -0.64 0.17 118.94 125.15 1q56 s TRP 142 Ca -0.03 -0.39 -0.06 0.00 0.02 0.00 0.00 56.10 55.64 1q56 s TRP 142 Cb -0.04 -0.60 0.11 0.00 -1.15 0.00 0.00 33.47 31.79 1q56 s TRP 142 CO 0.03 0.01 0.44 -1.17 0.02 0.00 0.00 176.95 176.28 1q56 s LEU 143 N -1.30 -0.72 0.00 2.99 1.98 -0.14 -1.54 118.68 119.94 1q56 s LEU 143 Ca -0.02 0.90 0.00 0.00 -2.89 0.00 0.00 54.13 52.12 1q56 s LEU 143 Cb -0.08 1.44 0.00 0.00 0.66 0.00 0.00 46.19 48.20 1q56 s LEU 143 CO 0.01 -0.24 0.00 0.61 -1.89 0.00 0.00 176.35 174.84 1q56 n GLY 144 N 5.39 1.24 0.00 7.98 0.00 0.50 -2.94 105.19 117.37 1q56 n GLY 144 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.06 0.55 3.63 -0.02 0.00 -1.10 -3.05 105.19 105.14 1q56 n GLY 145 Ca 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.66 0.49 0.36 1.61 -1.94 -1.26 -4.72 119.30 113.18 1q56 s MET 146 Ca 0.00 0.46 0.17 0.00 -1.71 0.00 0.00 55.69 54.61 1q56 s MET 146 Cb 0.00 0.24 0.65 0.00 2.01 0.00 0.00 34.83 37.72 1q56 s MET 146 CO 0.00 -0.08 1.73 1.49 -0.01 0.00 0.00 175.02 178.14 1q56 h GLU 147 N 3.76 0.00 -2.17 2.03 4.22 -1.94 -3.34 114.58 117.14 1q56 h GLU 147 Ca -0.26 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.65 1q56 h GLU 147 Cb 1.17 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.08 1q56 h GLU 147 CO 0.16 0.41 -0.91 -0.98 -2.18 0.00 0.00 179.01 175.51 1q56 s ARG 148 N -3.66 0.91 0.00 1.92 1.70 -1.26 -5.01 118.95 113.55 1q56 s ARG 148 Ca -0.00 -1.93 0.00 0.00 -0.47 0.00 0.00 55.73 53.32 1q56 s ARG 148 Cb 0.12 -1.21 0.00 0.00 -0.57 0.00 0.00 34.95 33.28 1q56 s ARG 148 CO 0.70 -1.38 0.81 -0.11 -1.08 0.00 0.00 175.30 174.24 1q56 n LEU 149 N 2.90 2.22 0.03 -1.89 7.94 -1.26 -3.79 117.00 123.16 1q56 n LEU 149 Ca 0.28 -1.03 0.09 0.00 -1.11 0.00 0.00 56.01 54.24 1q56 n LEU 149 Cb 0.49 -0.45 0.38 0.00 0.53 0.00 0.00 43.42 44.37 1q56 n LEU 149 CO 0.07 0.41 0.78 -1.54 -1.11 0.00 0.00 177.39 176.00 1q56 n SER 150 N 1.40 0.17 0.00 1.96 3.41 -1.26 -1.57 113.62 117.72 1q56 n SER 150 Ca 0.00 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 1q56 n SER 150 Cb 0.25 -0.57 0.62 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.68 0.03 -0.54 -3.33 3.14 -1.25 -4.28 118.33 110.43 1q56 n VAL 151 Ca 0.04 0.01 -0.09 0.00 -2.96 0.00 0.00 64.34 61.33 1q56 n VAL 151 Cb 0.21 -0.51 -0.07 0.00 -1.06 0.00 0.00 33.84 32.40 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 -1.48 3.84 0.00 1.55 0.00 -0.61 -4.84 120.51 118.97 1q56 n ALA 152 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1q56 n ALA 152 Cb 0.33 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 -3.15 0.00 1.44 -1.26 -3.90 115.22 111.40 1q56 n HIS 153 Ca 0.25 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.00 1q56 n HIS 153 Cb 0.40 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.51 1q56 n HIS 153 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1q56 s LYS 154 N 0.00 0.54 0.33 -1.40 0.00 -1.26 -5.15 119.74 112.80 1q56 s LYS 154 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 55.97 56.40 1q56 s LYS 154 Cb 0.00 0.25 0.02 0.00 0.00 0.00 0.00 37.83 38.10 1q56 s LYS 154 CO 0.00 -1.00 0.60 -0.48 0.00 0.00 0.00 175.35 174.47 1q56 s LEU 155 N 2.84 0.39 0.00 2.77 -0.00 -1.25 -5.16 118.68 118.26 1q56 s LEU 155 Ca 0.11 -1.15 -0.20 0.00 -0.00 0.00 0.00 54.13 52.89 1q56 s LEU 155 Cb -0.10 2.11 0.31 0.00 -0.00 0.00 0.00 46.19 48.51 1q56 s LEU 155 CO -0.26 -1.39 0.74 -0.81 -0.00 0.00 0.00 176.35 174.64 1q56 n PRO 156 N -0.50 -4.21 0.05 1.48 -0.04 -1.26 -4.77 135.00 125.76 1q56 n PRO 156 Ca -0.03 -1.24 0.03 0.00 -0.04 0.00 0.00 63.50 62.22 1q56 n PRO 156 Cb 0.61 -1.54 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 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 -5.06 0.04 -0.27 0.54 5.02 -1.26 -3.10 118.16 114.07 1q56 n LYS 157 Ca 0.12 0.46 0.18 0.00 -2.02 0.00 0.00 58.31 57.04 1q56 n LYS 157 Cb 0.50 -1.74 0.34 0.00 -0.02 0.00 0.00 35.03 34.10 1q56 n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q56 n ALA 158 N -1.48 0.59 0.04 7.82 0.00 -1.26 0.28 120.51 126.51 1q56 n ALA 158 Ca -0.00 0.85 -0.03 0.00 0.00 0.00 0.00 53.44 54.25 1q56 n ALA 158 Cb 0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 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 0.00 0.00 0.00 -1.99 -1.87 -0.04 116.97 113.07 1q56 h TYR 159 Ca 0.58 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.31 1q56 h TYR 159 Cb 1.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.09 1q56 h TYR 159 CO -0.24 0.77 0.00 0.45 -0.00 0.00 0.00 178.16 179.14 1q56 n SER 160 N -3.08 0.00 -3.59 3.88 2.88 0.79 -4.19 113.62 110.32 1q56 n SER 160 Ca -0.08 -0.34 -0.29 0.00 -1.33 0.00 0.00 58.87 56.83 1q56 n SER 160 Cb 0.90 -0.17 -0.13 0.00 -0.75 0.00 0.00 64.21 64.06 1q56 n SER 160 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q56 s THR 161 N -2.35 0.67 1.02 2.46 2.01 0.33 -5.04 115.64 114.74 1q56 s THR 161 Ca 0.29 -1.93 -0.23 0.00 0.31 0.00 0.00 61.69 60.12 1q56 s THR 161 Cb 0.17 -1.48 -0.08 0.00 0.01 0.00 0.00 72.50 71.11 1q56 s THR 161 CO 0.34 -0.91 -0.93 0.61 -0.69 0.00 0.00 174.62 173.04 1q56 n GLY 162 N 4.01 -2.74 3.78 4.40 0.00 -0.10 -4.01 105.19 110.54 1q56 n GLY 162 Ca 0.08 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.08 3.12 -0.53 1.61 5.36 -1.17 -4.47 117.98 119.83 1q56 s PHE 163 Ca 0.41 1.61 0.04 0.00 -0.96 0.00 0.00 56.93 58.02 1q56 s PHE 163 Cb 0.03 -3.15 0.14 0.00 -0.34 0.00 0.00 43.02 39.69 1q56 s PHE 163 CO 0.62 -0.84 0.31 0.42 -1.46 0.00 0.00 175.22 174.27 1q56 s ILE 164 N -1.72 2.14 0.00 3.12 1.01 -1.26 -1.02 121.20 123.47 1q56 s ILE 164 Ca 0.61 -3.25 0.00 0.00 0.00 0.00 0.00 60.65 58.02 1q56 s ILE 164 Cb -0.22 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1q56 s ILE 164 CO 0.27 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.92 1q56 n GLY 165 N 2.99 1.74 3.14 6.18 0.00 -1.24 -2.74 105.19 115.25 1q56 n GLY 165 Ca 0.11 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.91 1.23 0.26 0.00 1.01 -1.03 0.26 121.20 122.02 1q56 s ILE 167 Ca 0.01 -1.37 -0.21 0.00 0.00 0.00 0.00 60.65 59.08 1q56 s ILE 167 Cb -0.08 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.23 1q56 s ILE 167 CO 0.01 -0.21 0.69 -0.60 0.00 0.00 0.00 174.94 174.83 1q56 s ARG 168 N -1.82 1.70 -1.21 2.79 3.52 0.30 -2.96 118.95 121.26 1q56 s ARG 168 Ca 0.00 -0.93 -0.26 0.00 -0.13 0.00 0.00 55.73 54.42 1q56 s ARG 168 Cb -0.10 0.60 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 1q56 s ARG 168 CO 0.03 -0.77 0.68 -0.25 -0.81 0.00 0.00 175.30 174.18 1q56 n ASP 169 N -0.44 -4.12 -4.28 -2.12 9.92 -1.26 -0.96 116.55 113.29 1q56 n ASP 169 Ca -0.06 -1.17 -0.34 0.00 -0.53 0.00 0.00 54.79 52.69 1q56 n ASP 169 Cb 0.60 -2.42 -0.15 0.00 -0.64 0.00 0.00 41.12 38.51 1q56 n ASP 169 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1q56 s VAL 170 N -3.57 3.01 0.09 2.53 -7.23 -1.26 -3.39 120.40 110.58 1q56 s VAL 170 Ca 0.44 -0.63 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 1q56 s VAL 170 Cb -0.20 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1q56 s VAL 170 CO 0.93 0.47 -0.09 -0.63 -0.31 0.00 0.00 175.10 175.47 1q56 s ILE 171 N 1.24 0.78 -0.23 -0.62 1.01 0.16 -3.14 121.20 120.40 1q56 s ILE 171 Ca 0.03 -1.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.03 1q56 s ILE 171 Cb -0.14 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 41.09 1q56 s ILE 171 CO -0.04 -0.62 0.06 -0.69 0.00 0.00 0.00 174.94 173.65 1q56 s VAL 172 N -2.60 0.52 -1.38 2.92 1.01 -1.16 -0.31 120.40 119.41 1q56 s VAL 172 Ca 0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1q56 s VAL 172 Cb -0.02 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.28 1q56 s VAL 172 CO -0.01 -0.38 0.59 0.47 0.00 0.00 0.00 175.10 175.76 1q56 n ASP 173 N 5.03 -3.88 -0.33 3.32 9.92 -1.03 0.15 116.55 129.74 1q56 n ASP 173 Ca -0.07 -0.51 -0.04 0.00 -0.53 0.00 0.00 54.79 53.64 1q56 n ASP 173 Cb 0.45 -3.19 -0.01 0.00 -0.64 0.00 0.00 41.12 37.73 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 -3.93 -0.28 -1.36 -1.24 3.00 -1.26 -5.04 116.66 106.55 1q56 n ARG 174 Ca 0.00 0.53 -0.04 0.00 -0.00 0.00 0.00 57.85 58.34 1q56 n ARG 174 Cb 0.54 -4.21 0.01 0.00 0.00 0.00 0.00 32.46 28.80 1q56 n ARG 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1q56 n GLN 175 N -2.53 0.88 0.00 -0.14 6.02 0.40 -4.86 117.38 117.14 1q56 n GLN 175 Ca -0.04 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 1q56 n GLN 175 Cb 0.22 -0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.43 1q56 n GLN 175 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1q56 n GLU 176 N -1.26 0.00 0.00 -1.09 2.13 -1.26 -2.96 120.64 116.19 1q56 n GLU 176 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1q56 n GLU 176 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 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 -4.47 4.31 4.77 -1.19 -4.65 117.00 115.77 1q56 n LEU 177 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1q56 n LEU 177 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1q56 n LEU 177 CO 0.00 0.00 0.61 -1.00 -1.33 0.00 0.00 177.39 175.67 1q56 s HIS 178 N 0.00 2.85 0.01 -1.77 3.76 -1.26 -4.86 115.29 114.02 1q56 s HIS 178 Ca 0.00 -0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.32 1q56 s HIS 178 Cb 0.00 -3.98 -0.17 0.00 1.11 0.00 0.00 32.58 29.54 1q56 s HIS 178 CO 0.00 -1.33 1.35 -0.07 -0.85 0.00 0.00 174.74 173.83 1q56 h LEU 179 N 10.65 0.13 -1.68 0.89 4.07 -1.98 -2.48 115.31 124.91 1q56 h LEU 179 Ca -0.27 -0.43 0.23 0.00 0.08 0.00 0.00 57.88 57.48 1q56 h LEU 179 Cb 1.08 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 1q56 h LEU 179 CO 1.08 0.54 0.80 0.58 -1.08 0.00 0.00 178.44 180.35 1q56 h VAL 180 N -0.27 0.24 0.38 1.22 2.07 -1.94 2.67 116.25 120.61 1q56 h VAL 180 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1q56 h VAL 180 Cb 0.49 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1q56 h VAL 180 CO 0.01 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 177.09 1q56 h GLU 181 N 0.00 -0.49 0.00 1.57 4.39 -1.85 -3.03 114.58 115.17 1q56 h GLU 181 Ca 0.38 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1q56 h GLU 181 Cb 1.97 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 1q56 h GLU 181 CO -0.00 -0.32 -1.02 -0.25 -1.16 0.00 0.00 179.01 176.25 1q56 n ASP 182 N -4.93 0.62 0.04 1.42 8.00 -0.67 -3.90 116.55 117.12 1q56 n ASP 182 Ca -0.06 -0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.30 1q56 n ASP 182 Cb 0.20 0.72 0.08 0.00 -0.02 0.00 0.00 41.12 42.09 1q56 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q56 h ALA 183 N 2.42 0.74 -0.10 2.24 0.00 0.45 -2.44 119.26 122.56 1q56 h ALA 183 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1q56 h ALA 183 Cb 0.79 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1q56 h ALA 183 CO 0.00 0.71 0.47 -0.07 0.00 0.00 0.00 179.25 180.36 1q56 h LEU 184 N 0.32 0.00 -1.65 0.00 3.38 -1.61 0.13 115.31 115.89 1q56 h LEU 184 Ca -0.00 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.36 1q56 h LEU 184 Cb 1.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1q56 h LEU 184 CO 0.10 0.00 1.16 -1.13 0.09 0.00 0.00 178.44 178.66 1q56 h ASN 185 N 0.00 0.00 -4.37 -0.43 -0.73 -1.66 -3.36 115.58 105.04 1q56 h ASN 185 Ca 0.05 0.00 -0.41 0.00 1.87 0.00 0.00 56.30 57.81 1q56 h ASN 185 Cb 0.99 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 39.34 1q56 h ASN 185 CO -0.00 0.00 -0.78 0.21 -0.37 0.00 0.00 177.43 176.49 1q56 s ASN 186 N -4.07 1.50 0.00 1.15 2.47 0.03 -5.12 114.94 110.90 1q56 s ASN 186 Ca -0.04 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 52.78 1q56 s ASN 186 Cb 0.20 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.92 1q56 s ASN 186 CO 0.69 -0.00 0.00 -0.81 -3.72 0.00 0.00 177.10 173.26 1q56 n PRO 187 N 1.85 1.38 -1.00 0.43 -0.04 -1.26 -4.27 135.00 132.08 1q56 n PRO 187 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1q56 n PRO 187 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1q56 n PRO 187 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1q56 n THR 188 N -0.44 0.00 -1.98 0.52 5.66 -1.26 -4.88 114.28 111.91 1q56 n THR 188 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1q56 n THR 188 Cb 0.00 -0.82 -0.04 0.00 -1.55 0.00 0.00 70.33 67.92 1q56 n THR 188 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1q56 s ILE 189 N -1.18 3.35 0.32 1.09 -1.09 -1.26 -4.94 121.20 117.50 1q56 s ILE 189 Ca 0.00 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.40 1q56 s ILE 189 Cb 0.00 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1q56 s ILE 189 CO 0.00 -0.81 0.17 -0.76 -1.23 0.00 0.00 174.94 172.31 1q56 s LEU 190 N 10.16 3.38 0.16 2.97 1.43 -1.26 -5.06 118.68 130.46 1q56 s LEU 190 Ca 0.72 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1q56 s LEU 190 Cb -0.10 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1q56 s LEU 190 CO 0.10 -0.26 0.06 -1.00 0.23 0.00 0.00 176.35 175.48 1q56 s HIS 191 N -2.36 3.01 0.25 0.29 3.76 -1.26 -2.01 115.29 116.96 1q56 s HIS 191 Ca 0.37 -0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 54.93 1q56 s HIS 191 Cb -0.04 -1.46 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 1q56 s HIS 191 CO 0.23 0.52 0.93 0.00 -0.85 0.00 0.00 174.74 175.57 1q56 s SER 193 N -1.27 5.98 0.00 0.00 0.01 -1.26 -4.95 113.70 112.21 1q56 s SER 193 Ca 0.43 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1q56 s SER 193 Cb -0.24 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1q56 s SER 193 CO 0.30 -0.09 0.00 0.00 0.41 0.00 0.00 173.24 173.86 1q56 n ALA 194 N -1.34 0.00 -0.35 1.44 0.00 -1.26 -5.18 120.51 113.82 1q56 n ALA 194 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1q56 n ALA 194 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1q56 n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86