#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8t s ALA 36 N 0.00 3.47 -0.06 4.31 0.00 -1.26 -4.57 121.76 123.65 3h8t s ALA 36 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.00 3h8t s ALA 36 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3h8t s ALA 36 CO 0.00 -0.44 -0.13 0.08 0.00 0.00 0.00 175.76 175.27 3h8t s VAL 37 N 0.09 3.17 -0.17 0.00 1.01 -0.47 -4.86 120.40 119.18 3h8t s VAL 37 Ca 0.55 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3h8t s VAL 37 Cb -0.34 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3h8t s VAL 37 CO 0.37 0.59 0.00 -0.89 0.00 0.00 0.00 175.10 175.16 3h8t s THR 38 N -0.65 4.23 0.06 3.92 2.01 -1.26 -1.18 115.64 122.77 3h8t s THR 38 Ca 0.10 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3h8t s THR 38 Cb -0.11 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 3h8t s THR 38 CO 0.01 0.48 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.82 3h8t s LYS 39 N 0.38 0.64 -0.00 4.92 1.02 -0.39 -5.00 119.74 121.31 3h8t s LYS 39 Ca -0.01 -1.03 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 3h8t s LYS 39 Cb -0.14 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.99 3h8t s LYS 39 CO 0.02 -0.01 0.10 -0.08 -0.92 0.00 0.00 175.35 174.46 3h8t s THR 40 N -2.62 4.87 -0.03 2.17 -1.32 -1.26 -0.63 115.64 116.82 3h8t s THR 40 Ca 0.00 -0.37 0.02 0.00 -1.21 0.00 0.00 61.69 60.13 3h8t s THR 40 Cb -0.02 -3.24 0.01 0.00 -1.51 0.00 0.00 72.50 67.74 3h8t s THR 40 CO -0.03 0.34 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.95 3h8t s VAL 41 N -1.23 0.66 -0.09 5.08 1.01 0.18 -5.00 120.40 121.01 3h8t s VAL 41 Ca 0.24 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.99 3h8t s VAL 41 Cb -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.65 3h8t s VAL 41 CO 0.15 0.22 -0.21 -0.89 0.00 0.00 0.00 175.10 174.37 3h8t s THR 42 N 0.37 1.81 -0.04 3.92 2.01 -1.26 -1.27 115.64 121.18 3h8t s THR 42 Ca -0.05 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3h8t s THR 42 Cb -0.10 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.85 3h8t s THR 42 CO 0.00 0.50 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.73 3h8t s ILE 43 N 0.41 0.75 -0.61 1.82 1.01 0.26 -4.96 121.20 119.89 3h8t s ILE 43 Ca -0.17 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 3h8t s ILE 43 Cb -0.17 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.63 3h8t s ILE 43 CO 0.07 0.25 1.08 -0.62 0.00 0.00 0.00 174.94 175.73 3h8t s ASP 44 N 0.50 6.32 -0.36 3.58 -1.08 -1.26 -0.49 116.67 123.88 3h8t s ASP 44 Ca -0.08 -0.30 0.06 0.00 -0.52 0.00 0.00 52.55 51.71 3h8t s ASP 44 Cb -0.12 -2.49 0.50 0.00 -1.46 0.00 0.00 42.92 39.35 3h8t s ASP 44 CO 0.01 -1.44 1.53 0.00 0.52 0.00 0.00 175.17 175.79 3h8t n ALA 45 N 8.13 4.89 0.22 3.66 0.00 0.10 -4.71 120.51 132.80 3h8t n ALA 45 Ca 0.03 -3.33 0.11 0.00 0.00 0.00 0.00 53.44 50.25 3h8t n ALA 45 Cb 0.48 -0.86 0.41 0.00 0.00 0.00 0.00 19.45 19.48 3h8t n ALA 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h8t h SER 46 N 1.41 0.00 -3.35 0.00 4.64 -1.72 0.12 113.55 114.65 3h8t h SER 46 Ca 0.34 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.14 3h8t h SER 46 Cb 1.58 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.70 3h8t h SER 46 CO 0.71 0.17 0.65 -0.75 -0.87 0.00 0.00 176.83 176.73 3h8t s LYS 47 N -3.49 4.39 0.21 4.77 2.20 -1.26 -4.85 119.74 121.71 3h8t s LYS 47 Ca 0.02 2.04 0.12 0.00 -0.36 0.00 0.00 55.97 57.79 3h8t s LYS 47 Cb 0.09 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 3h8t s LYS 47 CO 0.63 -0.26 1.36 1.88 -0.36 0.00 0.00 175.35 178.61 3h8t h TYR 48 N 5.52 0.00 0.00 4.03 -1.99 -1.86 -3.37 116.97 119.30 3h8t h TYR 48 Ca -0.44 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.27 3h8t h TYR 48 Cb 1.21 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.94 3h8t h TYR 48 CO 0.62 0.70 -0.08 0.93 -0.00 0.00 0.00 178.16 180.33 3h8t h GLU 49 N 0.00 0.00 -4.87 4.88 3.07 -1.84 -3.37 114.58 112.44 3h8t h GLU 49 Ca -0.01 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.50 3h8t h GLU 49 Cb 1.54 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.31 3h8t h GLU 49 CO 0.09 0.08 -0.61 0.95 -1.40 0.00 0.00 179.01 178.12 3h8t s THR 50 N -3.25 0.51 0.14 1.13 -4.23 -1.26 -5.03 115.64 103.66 3h8t s THR 50 Ca 0.06 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 3h8t s THR 50 Cb 0.06 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 3h8t s THR 50 CO 0.66 0.00 -0.12 0.26 -0.54 0.00 0.00 174.62 174.88 3h8t s TRP 51 N -3.77 2.64 -0.24 3.99 0.52 -1.26 -4.74 118.94 116.08 3h8t s TRP 51 Ca 0.38 -0.21 -0.10 0.00 0.02 0.00 0.00 56.10 56.18 3h8t s TRP 51 Cb 0.08 -1.34 -0.05 0.00 -1.15 0.00 0.00 33.47 31.00 3h8t s TRP 51 CO 0.14 0.46 0.16 -0.65 0.02 0.00 0.00 176.95 177.07 3h8t s GLN 52 N -2.48 4.04 -0.14 4.98 -1.52 0.80 -4.92 119.66 120.42 3h8t s GLN 52 Ca 0.22 -0.28 -0.05 0.00 -1.95 0.00 0.00 55.36 53.29 3h8t s GLN 52 Cb -0.10 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.12 3h8t s GLN 52 CO 0.13 0.03 0.06 0.71 -0.25 0.00 0.00 175.29 175.98 3h8t s TYR 53 N 1.13 3.30 0.01 0.91 2.02 -1.26 -0.36 117.35 123.10 3h8t s TYR 53 Ca 0.07 0.21 0.05 0.00 -0.37 0.00 0.00 57.07 57.03 3h8t s TYR 53 Cb -0.14 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 3h8t s TYR 53 CO 0.05 0.39 -0.16 0.12 -1.57 0.00 0.00 175.55 174.38 3h8t s PHE 54 N -0.36 1.40 -0.20 2.71 5.36 0.72 -0.43 117.98 127.18 3h8t s PHE 54 Ca 0.09 -0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 55.71 3h8t s PHE 54 Cb -0.12 -0.87 -0.02 0.00 -0.34 0.00 0.00 43.02 41.67 3h8t s PHE 54 CO 0.02 0.01 -0.01 0.45 -1.46 0.00 0.00 175.22 174.23 3h8t s SER 55 N -0.70 4.76 0.14 6.13 0.15 -0.69 -0.43 113.70 123.06 3h8t s SER 55 Ca 0.05 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.32 3h8t s SER 55 Cb -0.07 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 3h8t s SER 55 CO 0.00 0.06 1.67 -0.26 1.20 0.00 0.00 173.24 175.91 3h8t h PHE 56 N 7.54 0.67 -0.33 3.44 0.05 -1.91 -0.22 116.94 126.17 3h8t h PHE 56 Ca -0.36 -0.06 -0.17 0.00 3.82 0.00 0.00 57.97 61.20 3h8t h PHE 56 Cb 1.18 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 38.93 3h8t h PHE 56 CO 0.59 0.60 -0.45 0.66 -0.18 0.00 0.00 178.31 179.53 3h8t h SER 57 N 0.54 0.95 0.92 2.17 4.64 -1.96 -3.11 113.55 117.69 3h8t h SER 57 Ca 0.14 -0.46 -0.15 0.00 -0.47 0.00 0.00 61.79 60.85 3h8t h SER 57 Cb 0.23 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3h8t h SER 57 CO -0.01 1.25 -0.70 0.11 -0.87 0.00 0.00 176.83 176.61 3h8t h LYS 58 N 0.70 0.00 -1.34 4.77 1.57 -1.96 -3.47 116.57 116.84 3h8t h LYS 58 Ca 0.04 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.58 3h8t h LYS 58 Cb 1.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 3h8t h LYS 58 CO 0.10 0.70 -0.28 0.41 -0.57 0.00 0.00 179.45 179.81 3h8t n GLY 59 N 0.78 0.36 3.06 3.86 0.00 -0.10 -5.01 105.19 108.15 3h8t n GLY 59 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 3h8t n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h8t s GLU 60 N -4.07 0.54 0.28 1.61 2.02 -1.21 -5.00 118.70 112.87 3h8t s GLU 60 Ca 0.00 -1.04 -0.29 0.00 0.02 0.00 0.00 54.97 53.66 3h8t s GLU 60 Cb 0.00 0.13 -0.10 0.00 0.10 0.00 0.00 34.13 34.26 3h8t s GLU 60 CO 0.00 -0.08 1.35 0.08 0.02 0.00 0.00 175.26 176.63 3h8t s VAL 61 N -3.10 2.79 0.20 2.63 1.01 -1.26 -1.70 120.40 120.97 3h8t s VAL 61 Ca 0.00 0.72 0.10 0.00 0.00 0.00 0.00 61.98 62.80 3h8t s VAL 61 Cb 0.02 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3h8t s VAL 61 CO -0.07 0.14 -0.15 0.68 0.00 0.00 0.00 175.10 175.70 3h8t s VAL 62 N -0.52 2.83 -0.12 2.92 -7.23 0.43 -4.91 120.40 113.79 3h8t s VAL 62 Ca 0.54 -1.87 -0.21 0.00 -1.81 0.00 0.00 61.98 58.63 3h8t s VAL 62 Cb -0.40 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3h8t s VAL 62 CO 0.47 -0.14 0.62 0.21 -0.31 0.00 0.00 175.10 175.94 3h8t s ASN 63 N -2.85 6.81 -0.11 4.85 2.47 -1.26 -4.31 114.94 120.54 3h8t s ASN 63 Ca 0.24 0.97 -0.01 0.00 0.42 0.00 0.00 52.86 54.48 3h8t s ASN 63 Cb -0.08 -2.36 0.03 0.00 -1.45 0.00 0.00 41.25 37.39 3h8t s ASN 63 CO 0.13 -0.14 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.67 3h8t s VAL 64 N 1.11 0.63 -0.43 -5.21 1.01 -1.26 -5.01 120.40 111.24 3h8t s VAL 64 Ca 0.31 -0.13 0.14 0.00 0.00 0.00 0.00 61.98 62.30 3h8t s VAL 64 Cb -0.16 -0.79 -0.17 0.00 0.00 0.00 0.00 36.38 35.25 3h8t s VAL 64 CO 0.13 0.22 0.49 0.35 0.00 0.00 0.00 175.10 176.29 3h8t n THR 65 N 5.06 0.00 -3.26 3.92 -2.24 -1.26 -4.73 114.28 111.77 3h8t n THR 65 Ca -0.09 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 3h8t n THR 65 Cb 0.49 0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 3h8t n THR 65 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h8t n ASP 66 N -1.55 0.05 0.25 3.42 2.03 -1.26 -5.00 116.55 114.49 3h8t n ASP 66 Ca 0.01 -2.61 0.08 0.00 0.52 0.00 0.00 54.79 52.79 3h8t n ASP 66 Cb 0.26 -0.61 0.62 0.00 -0.72 0.00 0.00 41.12 40.67 3h8t n ASP 66 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3h8t h TYR 67 N 4.51 0.00 0.00 -0.67 -0.00 -1.92 -1.08 116.97 117.81 3h8t h TYR 67 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.86 3h8t h TYR 67 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.61 3h8t h TYR 67 CO 0.34 0.07 0.00 1.63 -0.00 0.00 0.00 178.16 180.21 3h8t n LYS 68 N -4.35 0.06 -2.90 0.10 5.02 -1.26 -3.71 118.16 111.13 3h8t n LYS 68 Ca -0.03 0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3h8t n LYS 68 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3h8t n LYS 68 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h8t n ASN 69 N -1.46 1.06 -3.46 4.39 5.15 -0.41 -3.16 115.26 117.38 3h8t n ASN 69 Ca 0.06 -2.85 -0.04 0.00 -0.60 0.00 0.00 54.58 51.15 3h8t n ASN 69 Cb 0.25 -0.51 -0.06 0.00 -0.53 0.00 0.00 39.78 38.93 3h8t n ASN 69 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3h8t s ASP 70 N -2.76 -0.55 0.00 1.20 3.68 -1.21 -4.92 116.67 112.12 3h8t s ASP 70 Ca 0.33 0.87 0.16 0.00 2.13 0.00 0.00 52.55 56.03 3h8t s ASP 70 Cb 0.41 1.66 0.55 0.00 -1.45 0.00 0.00 42.92 44.09 3h8t s ASP 70 CO -0.02 -0.25 1.41 0.18 0.13 0.00 0.00 175.17 176.62 3h8t n LEU 71 N 5.40 1.71 -0.18 -1.34 4.77 -1.26 -4.25 117.00 121.86 3h8t n LEU 71 Ca -0.06 -0.78 0.14 0.00 -0.03 0.00 0.00 56.01 55.27 3h8t n LEU 71 Cb 0.50 -0.16 0.51 0.00 -2.33 0.00 0.00 43.42 41.93 3h8t n LEU 71 CO 0.02 0.39 0.78 -3.20 -1.33 0.00 0.00 177.39 174.04 3h8t n ASN 72 N 0.38 0.73 -4.39 -1.43 5.15 -1.26 -4.77 115.26 109.67 3h8t n ASN 72 Ca 0.14 -0.72 -0.29 0.00 -0.60 0.00 0.00 54.58 53.11 3h8t n ASN 72 Cb 0.30 0.02 -0.13 0.00 -0.53 0.00 0.00 39.78 39.44 3h8t n ASN 72 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3h8t s TRP 73 N -2.48 2.32 -0.05 1.20 1.48 -1.26 -4.60 118.94 115.55 3h8t s TRP 73 Ca 0.27 -0.37 0.03 0.00 -1.06 0.00 0.00 56.10 54.96 3h8t s TRP 73 Cb 0.20 -1.25 -0.05 0.00 -1.16 0.00 0.00 33.47 31.20 3h8t s TRP 73 CO 0.49 0.34 -0.01 -0.25 -4.06 0.00 0.00 176.95 173.46 3h8t n ASP 74 N 0.91 3.74 -3.77 -2.66 8.00 0.43 -4.31 116.55 118.89 3h8t n ASP 74 Ca -0.18 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 3h8t n ASP 74 Cb 0.53 0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.85 3h8t n ASP 74 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3h8t s MET 75 N -2.11 0.33 0.04 -1.24 1.75 -0.96 -3.77 119.30 113.33 3h8t s MET 75 Ca -0.05 0.41 0.05 0.00 -1.25 0.00 0.00 55.69 54.86 3h8t s MET 75 Cb 0.02 0.14 -0.02 0.00 2.84 0.00 0.00 34.83 37.81 3h8t s MET 75 CO 0.17 -0.05 -0.15 0.00 -0.65 0.00 0.00 175.02 174.34 3h8t s ALA 76 N 0.24 1.26 -0.00 4.11 0.00 0.51 -0.20 121.76 127.67 3h8t s ALA 76 Ca -0.01 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.18 3h8t s ALA 76 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3h8t s ALA 76 CO -0.00 0.25 -0.22 -0.51 0.00 0.00 0.00 175.76 175.28 3h8t s LEU 77 N -1.08 2.08 -0.17 0.00 1.43 0.52 -0.54 118.68 120.91 3h8t s LEU 77 Ca 0.03 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3h8t s LEU 77 Cb -0.08 -1.12 0.08 0.00 0.03 0.00 0.00 46.19 45.10 3h8t s LEU 77 CO 0.01 0.25 0.24 -2.28 0.23 0.00 0.00 176.35 174.81 3h8t s HIS 78 N -0.59 -0.36 0.00 0.29 5.65 -0.68 -0.14 115.29 119.45 3h8t s HIS 78 Ca 0.09 0.56 0.00 0.00 0.25 0.00 0.00 55.06 55.96 3h8t s HIS 78 Cb -0.09 -0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.10 3h8t s HIS 78 CO -0.00 -0.50 0.00 0.54 -0.65 0.00 0.00 174.74 174.13 3h8t n ARG 79 N 5.33 0.00 -0.34 2.88 5.12 0.40 0.25 116.66 130.30 3h8t n ARG 79 Ca -0.05 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.97 3h8t n ARG 79 Cb 0.50 0.00 0.29 0.00 -1.16 0.00 0.00 32.46 32.08 3h8t n ARG 79 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3h8t n TYR 80 N 13.88 0.89 -3.12 -1.55 0.53 -1.26 -4.87 117.16 121.66 3h8t n TYR 80 Ca 0.00 -0.51 -0.35 0.00 -1.02 0.00 0.00 57.90 56.02 3h8t n TYR 80 Cb 0.00 -0.03 -0.06 0.00 -1.03 0.00 0.00 39.34 38.22 3h8t n TYR 80 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3h8t s ASP 81 N -1.00 6.93 -0.03 7.72 1.01 0.14 -4.79 116.67 126.64 3h8t s ASP 81 Ca 0.43 1.35 0.04 0.00 0.71 0.00 0.00 52.55 55.08 3h8t s ASP 81 Cb 0.23 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.76 3h8t s ASP 81 CO 0.28 -0.06 -0.14 -0.69 0.21 0.00 0.00 175.17 174.77 3h8t s VAL 82 N -1.71 1.14 0.02 -1.27 1.01 -1.26 -1.69 120.40 116.63 3h8t s VAL 82 Ca 0.47 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3h8t s VAL 82 Cb -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3h8t s VAL 82 CO 0.19 0.34 -0.19 -0.60 0.00 0.00 0.00 175.10 174.84 3h8t s ARG 83 N 0.08 1.38 0.31 2.72 3.52 0.30 -0.21 118.95 127.07 3h8t s ARG 83 Ca -0.03 -0.82 0.08 0.00 -0.13 0.00 0.00 55.73 54.83 3h8t s ARG 83 Cb -0.10 -1.43 -0.06 0.00 -1.56 0.00 0.00 34.95 31.80 3h8t s ARG 83 CO 0.01 0.37 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.28 3h8t s LEU 84 N -0.90 2.62 -1.20 -0.88 1.43 -1.26 -0.37 118.68 118.12 3h8t s LEU 84 Ca 0.07 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 51.86 3h8t s LEU 84 Cb -0.08 -0.85 0.19 0.00 0.03 0.00 0.00 46.19 45.48 3h8t s LEU 84 CO 0.01 -0.25 1.45 -3.20 0.23 0.00 0.00 176.35 174.59 3h8t n ASN 85 N -0.69 5.30 -3.63 2.29 2.85 -1.25 -4.38 115.26 115.74 3h8t n ASN 85 Ca -0.05 -3.02 0.02 0.00 -0.11 0.00 0.00 54.58 51.42 3h8t n ASN 85 Cb 0.63 -1.52 -0.00 0.00 1.24 0.00 0.00 39.78 40.13 3h8t n ASN 85 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h8t n GLY 87 N -0.55 3.14 0.00 0.00 0.00 -1.21 -1.08 105.19 105.49 3h8t n GLY 87 Ca -0.07 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3h8t n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h8t n GLU 88 N 14.00 0.40 -0.00 1.61 -0.58 -0.34 -3.51 120.64 132.21 3h8t n GLU 88 Ca 0.00 0.04 0.08 0.00 -0.42 0.00 0.00 57.16 56.87 3h8t n GLU 88 Cb 0.00 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.26 3h8t n GLU 88 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3h8t n SER 89 N -1.26 0.97 0.00 1.62 7.64 -0.24 -4.24 113.62 118.10 3h8t n SER 89 Ca 0.13 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3h8t n SER 89 Cb 0.19 1.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.80 3h8t n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h8t n GLY 90 N 1.47 -0.21 0.81 0.23 0.00 -0.89 -4.17 105.19 102.44 3h8t n GLY 90 Ca -0.00 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.20 3h8t n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h8t n LYS 91 N -0.10 2.08 -0.59 1.61 2.85 -1.19 -3.19 118.16 119.63 3h8t n LYS 91 Ca 0.00 -1.61 -0.11 0.00 -1.05 0.00 0.00 58.31 55.54 3h8t n LYS 91 Cb 0.00 -1.46 0.08 0.00 -0.65 0.00 0.00 35.03 33.00 3h8t n LYS 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3h8t n GLY 92 N 1.30 -1.76 1.93 2.58 0.00 -1.10 -4.93 105.19 103.21 3h8t n GLY 92 Ca 0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 3h8t n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h8t n LYS 93 N -2.31 3.65 -1.44 1.61 5.02 0.57 -4.34 118.16 120.91 3h8t n LYS 93 Ca 0.06 -2.86 -0.30 0.00 -2.02 0.00 0.00 58.31 53.19 3h8t n LYS 93 Cb 0.22 -2.17 0.20 0.00 -0.02 0.00 0.00 35.03 33.26 3h8t n LYS 93 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3h8t s GLY 94 N -0.87 1.64 0.00 0.72 0.00 -0.56 -4.35 107.32 103.89 3h8t s GLY 94 Ca 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3h8t s GLY 94 CO 0.13 -0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.71 3h8t n GLY 95 N -2.08 2.05 2.96 0.20 0.00 -1.17 -4.71 105.19 102.43 3h8t n GLY 95 Ca 0.12 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 3h8t n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8t s ALA 96 N -2.00 0.09 -0.01 4.61 0.00 -0.59 -0.82 121.76 123.04 3h8t s ALA 96 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3h8t s ALA 96 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3h8t s ALA 96 CO 0.00 -0.12 -0.01 0.54 0.00 0.00 0.00 175.76 176.17 3h8t s VAL 97 N -1.12 0.13 0.04 0.00 0.11 -0.25 -0.59 120.40 118.73 3h8t s VAL 97 Ca -0.12 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 3h8t s VAL 97 Cb -0.08 -0.16 -0.06 0.00 -1.53 0.00 0.00 36.38 34.56 3h8t s VAL 97 CO -0.01 0.07 1.25 0.12 -3.33 0.00 0.00 175.10 173.21 3h8t s PHE 98 N 0.32 3.29 -0.35 1.54 5.36 -1.26 -0.93 117.98 125.94 3h8t s PHE 98 Ca -0.03 1.17 0.27 0.00 -0.96 0.00 0.00 56.93 57.38 3h8t s PHE 98 Cb -0.05 -3.49 0.98 0.00 -0.34 0.00 0.00 43.02 40.12 3h8t s PHE 98 CO -0.01 -1.60 1.79 0.66 -1.46 0.00 0.00 175.22 174.60 3h8t h SER 99 N 7.05 0.00 0.00 6.13 4.64 -1.33 -3.47 113.55 126.57 3h8t h SER 99 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3h8t h SER 99 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3h8t h SER 99 CO 0.84 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 3h8t n GLY 100 N 0.41 1.38 3.65 -0.77 0.00 -1.26 -5.04 105.19 103.56 3h8t n GLY 100 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3h8t n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h8t s LYS 101 N -0.40 2.27 -0.04 1.61 -0.14 -1.26 -5.04 119.74 116.75 3h8t s LYS 101 Ca 0.00 -1.45 0.05 0.00 -1.36 0.00 0.00 55.97 53.21 3h8t s LYS 101 Cb 0.00 -2.14 0.08 0.00 -1.68 0.00 0.00 37.83 34.09 3h8t s LYS 101 CO 0.00 0.34 1.03 0.25 -0.76 0.00 0.00 175.35 176.21 3h8t n THR 102 N -0.91 1.22 -4.24 2.17 -2.24 -1.26 -1.20 114.28 107.82 3h8t n THR 102 Ca -0.06 -1.32 -0.24 0.00 -2.27 0.00 0.00 64.05 60.15 3h8t n THR 102 Cb 0.59 0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.96 3h8t n THR 102 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h8t s GLU 103 N -1.49 1.42 0.21 -0.78 2.02 -1.26 -4.76 118.70 114.06 3h8t s GLU 103 Ca 0.09 -0.27 -0.10 0.00 0.02 0.00 0.00 54.97 54.70 3h8t s GLU 103 Cb 0.08 -1.34 0.26 0.00 0.10 0.00 0.00 34.13 33.23 3h8t s GLU 103 CO 0.01 -0.11 1.76 0.52 0.02 0.00 0.00 175.26 177.46 3h8t h MET 104 N 7.48 0.45 0.00 1.61 2.86 -1.93 -1.42 114.93 123.97 3h8t h MET 104 Ca -0.31 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 3h8t h MET 104 Cb 1.16 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3h8t h MET 104 CO 0.44 0.29 0.00 -0.40 1.06 0.00 0.00 176.91 178.30 3h8t n ASP 105 N -4.95 0.00 0.06 1.22 5.75 -1.26 -2.27 116.55 115.09 3h8t n ASP 105 Ca 0.08 0.27 0.11 0.00 -0.01 0.00 0.00 54.79 55.25 3h8t n ASP 105 Cb 0.25 -0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 39.89 3h8t n ASP 105 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h8t n GLN 106 N -1.40 0.58 -2.98 0.11 1.13 -0.55 -4.64 117.38 109.63 3h8t n GLN 106 Ca 0.07 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.69 3h8t n GLN 106 Cb 0.18 -1.70 -0.01 0.00 0.11 0.00 0.00 30.24 28.83 3h8t n GLN 106 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h8t s ALA 107 N -3.39 3.82 -0.17 -1.58 0.00 -0.96 -4.77 121.76 114.71 3h8t s ALA 107 Ca -0.02 -3.18 0.17 0.00 0.00 0.00 0.00 51.96 48.93 3h8t s ALA 107 Cb 0.12 -4.04 -0.24 0.00 0.00 0.00 0.00 23.12 18.96 3h8t s ALA 107 CO 0.83 -2.79 0.09 0.25 0.00 0.00 0.00 175.76 174.14 3h8t n THR 108 N 4.79 1.18 -3.27 0.00 -2.24 -1.26 -4.89 114.28 108.60 3h8t n THR 108 Ca 0.30 -0.77 -0.39 0.00 -2.27 0.00 0.00 64.05 60.93 3h8t n THR 108 Cb 0.45 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 3h8t n THR 108 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h8t s THR 109 N -2.53 5.14 -0.29 4.28 2.01 -1.26 -5.04 115.64 117.94 3h8t s THR 109 Ca -0.09 0.97 -0.22 0.00 0.31 0.00 0.00 61.69 62.66 3h8t s THR 109 Cb 0.06 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 3h8t s THR 109 CO 0.77 0.24 0.70 -0.69 -0.69 0.00 0.00 174.62 174.95 3h8t s VAL 110 N 1.22 4.89 0.53 3.82 1.01 -1.26 -5.02 120.40 125.58 3h8t s VAL 110 Ca 0.25 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 63.08 3h8t s VAL 110 Cb -0.15 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3h8t s VAL 110 CO 0.10 -0.15 1.32 -2.84 0.00 0.00 0.00 175.10 173.53 3h8t s PRO 111 N 2.73 3.23 0.03 2.72 0.02 -1.26 -4.92 135.00 137.55 3h8t s PRO 111 Ca 0.28 2.14 0.22 0.00 0.02 0.00 0.00 61.00 63.66 3h8t s PRO 111 Cb -0.15 -2.26 -0.26 0.00 0.02 0.00 0.00 34.50 31.85 3h8t s PRO 111 CO 0.11 -1.09 0.62 0.25 -0.33 0.00 0.00 177.00 176.57 3h8t n THR 112 N -0.97 0.15 -4.15 0.99 -2.24 -1.26 -5.03 114.28 101.76 3h8t n THR 112 Ca 0.10 -0.51 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 3h8t n THR 112 Cb 0.46 -0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3h8t n THR 112 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3h8t s ASP 113 N -4.71 1.17 0.00 3.42 1.11 -1.26 -4.86 116.67 111.54 3h8t s ASP 113 Ca -0.06 -0.89 0.00 0.00 0.18 0.00 0.00 52.55 51.78 3h8t s ASP 113 Cb 0.13 0.06 0.00 0.00 1.07 0.00 0.00 42.92 44.18 3h8t s ASP 113 CO 0.88 -0.38 0.00 0.61 1.18 0.00 0.00 175.17 177.46 3h8t n GLY 114 N 0.34 0.92 3.76 0.21 0.00 -1.26 -5.05 105.19 104.11 3h8t n GLY 114 Ca -0.15 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3h8t n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8t s TYR 115 N -2.00 3.69 -0.07 1.61 1.51 -1.26 -4.63 117.35 116.21 3h8t s TYR 115 Ca 0.00 1.76 0.04 0.00 -1.01 0.00 0.00 57.07 57.86 3h8t s TYR 115 Cb 0.00 -3.19 -0.02 0.00 -0.11 0.00 0.00 41.96 38.64 3h8t s TYR 115 CO 0.00 -0.26 -0.19 0.99 -1.11 0.00 0.00 175.55 174.99 3h8t s THR 116 N -1.18 2.63 0.47 -0.71 2.01 0.24 -4.80 115.64 114.29 3h8t s THR 116 Ca 0.44 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 3h8t s THR 116 Cb -0.30 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 3h8t s THR 116 CO 0.38 0.57 0.70 0.68 -0.69 0.00 0.00 174.62 176.26 3h8t s VAL 117 N -0.32 4.07 0.43 3.82 -7.23 -1.26 -1.54 120.40 118.37 3h8t s VAL 117 Ca 0.02 -0.38 -0.26 0.00 -1.81 0.00 0.00 61.98 59.55 3h8t s VAL 117 Cb -0.13 -3.52 -0.09 0.00 0.56 0.00 0.00 36.38 33.21 3h8t s VAL 117 CO 0.02 -0.40 1.37 -1.81 -0.31 0.00 0.00 175.10 173.97 3h8t s ASP 118 N -4.21 6.10 0.40 4.85 -0.00 -1.26 -4.82 116.67 117.73 3h8t s ASP 118 Ca 0.49 2.79 0.07 0.00 -0.00 0.00 0.00 52.55 55.90 3h8t s ASP 118 Cb -0.10 -2.65 -0.08 0.00 -0.00 0.00 0.00 42.92 40.10 3h8t s ASP 118 CO 0.39 -1.01 0.00 0.68 -0.00 0.00 0.00 175.17 175.24 3h8t s VAL 119 N -1.23 2.04 0.22 -1.27 -7.23 -0.63 -1.20 120.40 111.10 3h8t s VAL 119 Ca 0.59 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 3h8t s VAL 119 Cb -0.41 -2.96 -0.08 0.00 0.56 0.00 0.00 36.38 33.48 3h8t s VAL 119 CO 0.53 -0.02 1.07 -0.76 -0.31 0.00 0.00 175.10 175.61 3h8t s LEU 120 N -3.71 4.53 0.27 1.32 1.43 -1.26 -1.05 118.68 120.21 3h8t s LEU 120 Ca 0.35 2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 3h8t s LEU 120 Cb 0.09 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.71 3h8t s LEU 120 CO 0.18 -0.14 0.62 -0.83 0.23 0.00 0.00 176.35 176.41 3h8t s GLY 121 N -0.54 0.18 0.04 -3.19 0.00 -0.17 -4.93 107.32 98.71 3h8t s GLY 121 Ca 0.46 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 3h8t s GLY 121 CO 0.37 -0.32 1.16 -1.60 0.00 0.00 0.00 173.10 172.71 3h8t s ARG 122 N -3.96 4.44 -0.10 2.90 3.52 -1.26 -1.08 118.95 123.41 3h8t s ARG 122 Ca 0.16 1.70 0.03 0.00 -0.13 0.00 0.00 55.73 57.49 3h8t s ARG 122 Cb -0.04 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3h8t s ARG 122 CO 0.08 -0.24 -0.21 0.42 -0.81 0.00 0.00 175.30 174.53 3h8t s ILE 123 N 1.18 1.87 -0.40 4.11 -1.09 0.12 -4.93 121.20 122.06 3h8t s ILE 123 Ca 0.57 -0.90 -0.28 0.00 -2.23 0.00 0.00 60.65 57.82 3h8t s ILE 123 Cb -0.27 -1.64 0.02 0.00 -1.58 0.00 0.00 42.46 38.99 3h8t s ILE 123 CO 0.28 0.52 1.04 -0.89 -1.23 0.00 0.00 174.94 174.66 3h8t s THR 124 N 0.52 4.43 -0.97 2.92 2.01 -1.26 -1.19 115.64 122.10 3h8t s THR 124 Ca -0.15 1.33 0.16 0.00 0.31 0.00 0.00 61.69 63.34 3h8t s THR 124 Cb -0.17 -4.46 -0.13 0.00 0.01 0.00 0.00 72.50 67.76 3h8t s THR 124 CO 0.06 -0.70 0.73 1.33 -0.69 0.00 0.00 174.62 175.35 3h8t n VAL 125 N 6.26 0.00 -3.73 3.82 0.24 0.38 -4.72 118.33 120.58 3h8t n VAL 125 Ca 0.10 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 3h8t n VAL 125 Cb 0.48 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.81 3h8t n VAL 125 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h8t s LYS 126 N -2.36 0.54 -0.15 7.34 2.20 -1.12 -3.46 119.74 122.72 3h8t s LYS 126 Ca 0.08 0.38 -0.07 0.00 -0.36 0.00 0.00 55.97 56.00 3h8t s LYS 126 Cb 0.12 0.26 0.06 0.00 -1.51 0.00 0.00 37.83 36.76 3h8t s LYS 126 CO 0.59 -0.10 0.35 -0.47 -0.36 0.00 0.00 175.35 175.37 3h8t s TYR 127 N -0.19 -0.54 -0.17 4.03 5.04 -1.26 -1.49 117.35 122.78 3h8t s TYR 127 Ca -0.03 1.15 -0.08 0.00 -2.44 0.00 0.00 57.07 55.67 3h8t s TYR 127 Cb -0.03 0.17 0.07 0.00 0.35 0.00 0.00 41.96 42.52 3h8t s TYR 127 CO 0.02 -0.34 0.38 -2.00 -1.34 0.00 0.00 175.55 172.27 3h8t s GLU 128 N 1.70 0.33 0.27 4.97 2.12 -0.36 -4.99 118.70 122.75 3h8t s GLU 128 Ca -0.07 0.82 -0.30 0.00 0.36 0.00 0.00 54.97 55.78 3h8t s GLU 128 Cb -0.10 0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.24 3h8t s GLU 128 CO -0.11 -0.19 1.04 -1.64 -0.54 0.00 0.00 175.26 173.82 3h8t s MET 129 N 1.76 4.71 0.00 4.30 -1.94 -1.26 -0.89 119.30 125.97 3h8t s MET 129 Ca -0.07 1.69 0.00 0.00 -1.71 0.00 0.00 55.69 55.61 3h8t s MET 129 Cb -0.10 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.54 3h8t s MET 129 CO -0.12 0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.61 3h8t n GLY 130 N 1.27 3.03 0.15 -0.03 0.00 -0.64 -4.95 105.19 104.02 3h8t n GLY 130 Ca -0.01 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.18 3h8t n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h8t h PRO 131 N 0.00 0.00 -0.24 1.61 0.13 -2.04 -2.31 132.00 129.15 3h8t h PRO 131 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 3h8t h PRO 131 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3h8t h PRO 131 CO 0.00 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 177.49 3h8t n ASP 132 N -2.30 3.22 0.00 1.44 8.00 -1.26 -5.09 116.55 120.56 3h8t n ASP 132 Ca 0.01 -3.25 0.00 0.00 0.71 0.00 0.00 54.79 52.26 3h8t n ASP 132 Cb 0.18 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3h8t n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h8t n GLY 133 N -0.84 -1.80 3.62 0.44 0.00 -0.87 -4.83 105.19 100.91 3h8t n GLY 133 Ca 0.24 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3h8t n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h8t s HIS 134 N 0.00 2.75 -0.10 1.61 -3.43 -1.26 -1.62 115.29 113.23 3h8t s HIS 134 Ca 0.00 0.86 -0.19 0.00 -0.80 0.00 0.00 55.06 54.93 3h8t s HIS 134 Cb 0.00 -4.07 -0.04 0.00 -1.43 0.00 0.00 32.58 27.04 3h8t s HIS 134 CO 0.00 -1.48 0.52 -0.65 -2.00 0.00 0.00 174.74 171.13 3h8t s GLN 135 N 4.28 4.35 0.15 -0.38 -1.52 -0.07 -4.90 119.66 121.58 3h8t s GLN 135 Ca 0.53 0.53 0.08 0.00 -1.95 0.00 0.00 55.36 54.56 3h8t s GLN 135 Cb -0.13 -3.43 -0.04 0.00 -0.22 0.00 0.00 33.01 29.19 3h8t s GLN 135 CO 0.25 0.15 -0.18 -1.64 -0.25 0.00 0.00 175.29 173.62 3h8t s MET 136 N 0.61 1.23 0.12 2.91 -1.94 -1.26 -1.23 119.30 119.75 3h8t s MET 136 Ca 0.28 -1.36 0.10 0.00 -1.71 0.00 0.00 55.69 53.00 3h8t s MET 136 Cb -0.16 -1.31 -0.04 0.00 2.01 0.00 0.00 34.83 35.34 3h8t s MET 136 CO 0.12 0.27 -0.23 -1.21 -0.01 0.00 0.00 175.02 173.96 3h8t s GLU 137 N -2.64 1.27 0.12 2.03 2.02 -0.56 -4.97 118.70 115.97 3h8t s GLU 137 Ca 0.14 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 53.89 3h8t s GLU 137 Cb -0.06 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 3h8t s GLU 137 CO 0.06 0.38 -0.10 0.71 0.02 0.00 0.00 175.26 176.32 3h8t s TYR 138 N -1.21 1.20 0.02 1.61 2.02 -1.26 -0.47 117.35 119.26 3h8t s TYR 138 Ca 0.11 -0.70 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 3h8t s TYR 138 Cb -0.10 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.82 3h8t s TYR 138 CO 0.05 0.05 -0.06 -1.21 -1.57 0.00 0.00 175.55 172.82 3h8t s GLU 139 N -3.27 0.45 -0.25 -0.62 2.02 -0.33 -4.88 118.70 111.81 3h8t s GLU 139 Ca 0.12 -0.53 -0.26 0.00 0.02 0.00 0.00 54.97 54.31 3h8t s GLU 139 Cb -0.00 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.95 3h8t s GLU 139 CO 0.00 0.06 0.91 -1.21 0.02 0.00 0.00 175.26 175.05 3h8t s GLU 140 N -1.03 4.19 0.17 1.61 0.41 -1.26 -0.70 118.70 122.08 3h8t s GLU 140 Ca -0.06 1.08 -0.01 0.00 -0.41 0.00 0.00 54.97 55.57 3h8t s GLU 140 Cb -0.07 -3.65 -0.04 0.00 -1.78 0.00 0.00 34.13 28.59 3h8t s GLU 140 CO 0.00 -0.59 0.09 -0.65 -0.49 0.00 0.00 175.26 173.63 3h8t s GLN 141 N 3.02 1.08 0.28 1.61 -0.21 -0.24 -4.88 119.66 120.31 3h8t s GLN 141 Ca 0.38 -1.54 -0.29 0.00 0.02 0.00 0.00 55.36 53.93 3h8t s GLN 141 Cb -0.15 0.24 -0.10 0.00 1.00 0.00 0.00 33.01 34.00 3h8t s GLN 141 CO 0.08 -0.33 1.23 0.20 -2.12 0.00 0.00 175.29 174.35 3h8t s GLY 142 N -3.11 2.90 0.19 3.09 0.00 -1.26 -1.00 107.32 108.13 3h8t s GLY 142 Ca 0.32 1.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.96 3h8t s GLY 142 CO 0.07 1.79 0.49 -0.11 0.00 0.00 0.00 173.10 175.35 3h8t s PHE 143 N -0.85 -0.04 -0.57 1.90 -0.12 -0.21 -4.81 117.98 113.28 3h8t s PHE 143 Ca 0.49 -0.31 -0.21 0.00 -0.05 0.00 0.00 56.93 56.84 3h8t s PHE 143 Cb -0.36 0.33 0.06 0.00 -0.63 0.00 0.00 43.02 42.43 3h8t s PHE 143 CO 0.45 -0.90 0.82 0.45 -0.05 0.00 0.00 175.22 175.99 3h8t s SER 144 N -2.89 6.24 0.34 1.98 0.15 0.71 -1.60 113.70 118.63 3h8t s SER 144 Ca 0.11 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 55.96 3h8t s SER 144 Cb -0.01 -2.37 0.62 0.00 -1.71 0.00 0.00 66.02 62.55 3h8t s SER 144 CO -0.02 -1.16 1.93 -0.08 1.20 0.00 0.00 173.24 175.11 3h8t h GLU 145 N 9.26 0.67 -0.28 5.44 4.81 -1.85 0.04 114.58 132.66 3h8t h GLU 145 Ca -0.28 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3h8t h GLU 145 Cb 1.08 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3h8t h GLU 145 CO 1.08 0.56 0.12 0.28 -0.73 0.00 0.00 179.01 180.31 3h8t h VAL 146 N 0.66 0.96 0.21 0.32 2.07 -1.91 0.12 116.25 118.68 3h8t h VAL 146 Ca 0.16 -0.09 -0.34 0.00 0.82 0.00 0.00 66.70 67.25 3h8t h VAL 146 Cb 0.14 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3h8t h VAL 146 CO -0.01 0.05 -1.59 0.40 0.02 0.00 0.00 177.57 176.43 3h8t h ILE 147 N 0.26 1.14 -0.11 4.57 2.04 -1.89 -3.37 117.51 120.16 3h8t h ILE 147 Ca 0.12 -2.65 -0.21 0.00 1.00 0.00 0.00 64.86 63.12 3h8t h ILE 147 Cb 0.07 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3h8t h ILE 147 CO -0.10 0.84 -0.78 0.74 0.00 0.00 0.00 178.15 178.84 3h8t h THR 148 N 0.12 1.32 0.00 -0.27 2.02 -1.03 0.84 112.91 115.91 3h8t h THR 148 Ca -0.29 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 64.83 3h8t h THR 148 Cb 2.12 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.60 3h8t h THR 148 CO 0.23 0.64 0.00 0.61 0.37 0.00 0.00 175.52 177.37 3h8t n GLY 149 N 0.67 1.64 3.79 2.16 0.00 0.41 -4.23 105.19 109.63 3h8t n GLY 149 Ca -0.06 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 3h8t n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h8t s LYS 150 N -2.40 4.08 -0.07 1.61 1.02 -0.55 -4.66 119.74 118.77 3h8t s LYS 150 Ca 0.00 0.42 -0.18 0.00 0.02 0.00 0.00 55.97 56.23 3h8t s LYS 150 Cb 0.00 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3h8t s LYS 150 CO 0.00 0.51 0.51 0.15 -0.92 0.00 0.00 175.35 175.59 3h8t s LYS 151 N -0.49 4.28 0.00 1.68 1.02 -1.26 -2.27 119.74 122.69 3h8t s LYS 151 Ca 0.24 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.77 3h8t s LYS 151 Cb -0.16 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3h8t s LYS 151 CO 0.12 0.29 0.00 0.27 -0.92 0.00 0.00 175.35 175.11 3h8t n ASN 152 N 3.16 0.00 0.00 2.83 0.23 -0.46 -4.86 115.26 116.17 3h8t n ASN 152 Ca -0.08 -0.77 0.09 0.00 -0.53 0.00 0.00 54.58 53.29 3h8t n ASN 152 Cb 0.52 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.72 3h8t n ASN 152 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h8t h ALA 153 N -1.12 1.93 -0.42 -2.53 0.00 -1.98 -1.18 119.26 113.95 3h8t h ALA 153 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h8t h ALA 153 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h8t h ALA 153 CO 0.00 -0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 3h8t n GLN 154 N -4.48 2.51 -0.36 0.00 3.00 -1.26 -4.96 117.38 111.84 3h8t n GLN 154 Ca 0.05 -2.29 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 3h8t n GLN 154 Cb 0.23 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.95 3h8t n GLN 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h8t n GLY 155 N 1.52 0.81 3.69 1.08 0.00 -0.45 -5.07 105.19 106.78 3h8t n GLY 155 Ca 0.20 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3h8t n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h8t s PHE 156 N -2.00 3.50 0.02 1.61 0.08 -1.26 -4.72 117.98 115.22 3h8t s PHE 156 Ca 0.00 1.22 -0.15 0.00 0.12 0.00 0.00 56.93 58.12 3h8t s PHE 156 Cb 0.00 -2.87 -0.06 0.00 -0.57 0.00 0.00 43.02 39.52 3h8t s PHE 156 CO 0.00 -0.05 0.43 0.00 -0.10 0.00 0.00 175.22 175.50 3h8t s ALA 157 N 1.36 3.69 0.13 5.36 0.00 -1.26 -1.35 121.76 129.69 3h8t s ALA 157 Ca 0.37 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.99 3h8t s ALA 157 Cb -0.17 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.56 3h8t s ALA 157 CO 0.16 0.48 0.36 -1.54 0.00 0.00 0.00 175.76 175.21 3h8t s SER 158 N -1.18 -0.12 0.00 0.00 1.04 -0.96 -2.50 113.70 109.97 3h8t s SER 158 Ca 0.26 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3h8t s SER 158 Cb -0.17 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3h8t s SER 158 CO 0.15 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.12 3h8t n GLY 159 N -0.20 0.58 0.00 7.32 0.00 -1.26 -1.49 105.19 110.14 3h8t n GLY 159 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3h8t n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8t n GLY 160 N -2.00 1.91 0.21 -0.02 0.00 -1.26 -4.74 105.19 99.28 3h8t n GLY 160 Ca 0.00 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.31 3h8t n GLY 160 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3h8t h TRP 161 N 0.00 0.00 -3.33 1.61 5.08 -1.02 -3.43 115.95 114.85 3h8t h TRP 161 Ca 0.00 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.62 3h8t h TRP 161 Cb 0.00 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 25.78 3h8t h TRP 161 CO 0.00 0.03 -0.73 -1.17 -1.28 0.00 0.00 178.44 175.29 3h8t s LEU 162 N -6.16 0.31 -0.51 0.11 2.96 -1.26 -1.84 118.68 112.30 3h8t s LEU 162 Ca 0.06 0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 53.83 3h8t s LEU 162 Cb 0.05 -0.09 0.04 0.00 0.50 0.00 0.00 46.19 46.69 3h8t s LEU 162 CO 0.68 -0.23 0.89 -1.61 -1.32 0.00 0.00 176.35 174.77 3h8t s GLU 163 N 1.95 3.39 -0.17 1.98 0.41 0.29 -4.49 118.70 122.07 3h8t s GLU 163 Ca 0.02 -0.15 -0.04 0.00 -0.41 0.00 0.00 54.97 54.39 3h8t s GLU 163 Cb -0.12 -4.00 -0.03 0.00 -1.78 0.00 0.00 34.13 28.20 3h8t s GLU 163 CO -0.03 -1.33 -0.02 0.12 -0.49 0.00 0.00 175.26 173.50 3h8t s PHE 164 N 3.71 3.05 0.00 1.61 5.36 -1.04 -1.21 117.98 129.46 3h8t s PHE 164 Ca 0.31 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 3h8t s PHE 164 Cb -0.12 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 3h8t s PHE 164 CO 0.21 -0.05 0.00 0.45 -1.46 0.00 0.00 175.22 174.37 3h8t n SER 165 N 3.67 0.00 -4.09 6.13 2.88 -0.71 -4.17 113.62 117.32 3h8t n SER 165 Ca -0.17 -0.49 -0.14 0.00 -1.33 0.00 0.00 58.87 56.74 3h8t n SER 165 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 3h8t n SER 165 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3h8t s HIS 166 N -2.43 0.77 0.00 0.66 3.76 -1.26 -1.12 115.29 115.67 3h8t s HIS 166 Ca 0.00 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 3h8t s HIS 166 Cb 0.00 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 33.24 3h8t s HIS 166 CO 0.00 -0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.23 3h8t n GLY 167 N 1.31 0.22 0.32 -2.22 0.00 0.17 -4.86 105.19 100.13 3h8t n GLY 167 Ca -0.22 -1.71 0.20 0.00 0.00 0.00 0.00 46.02 44.30 3h8t n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h8t h PRO 168 N 0.00 0.00 -0.03 1.61 0.11 -2.01 -3.31 132.00 128.36 3h8t h PRO 168 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3h8t h PRO 168 Cb 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 30.87 3h8t h PRO 168 CO 0.00 0.01 -0.61 0.00 -0.21 0.00 0.00 178.00 177.19 3h8t n ALA 169 N -2.13 3.11 0.00 -0.75 0.00 -1.26 -5.14 120.51 114.34 3h8t n ALA 169 Ca -0.02 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.98 3h8t n ALA 169 Cb 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3h8t n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8t n GLY 170 N -0.02 -1.59 3.78 0.00 0.00 -1.25 -5.15 105.19 100.97 3h8t n GLY 170 Ca -0.13 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3h8t n GLY 170 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h8t s PRO 171 N -1.92 4.12 0.10 1.61 0.04 -1.26 -0.65 135.00 137.04 3h8t s PRO 171 Ca 0.00 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.61 3h8t s PRO 171 Cb 0.00 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 3h8t s PRO 171 CO 0.00 -0.18 -0.16 0.95 0.04 0.00 0.00 177.00 177.65 3h8t s THR 172 N -1.69 1.40 -0.02 1.26 -4.23 -0.27 -4.73 115.64 107.36 3h8t s THR 172 Ca 0.59 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3h8t s THR 172 Cb -0.22 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.26 3h8t s THR 172 CO 0.27 -0.22 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.79 3h8t s TYR 173 N -1.49 0.38 -0.06 3.99 2.02 -1.26 -1.75 117.35 119.18 3h8t s TYR 173 Ca 0.04 -0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3h8t s TYR 173 Cb -0.09 -0.35 0.03 0.00 -0.40 0.00 0.00 41.96 41.16 3h8t s TYR 173 CO 0.03 -0.08 0.06 0.21 -1.57 0.00 0.00 175.55 174.20 3h8t s LYS 174 N 0.50 -0.00 0.12 -0.62 2.20 -0.35 -5.01 119.74 116.58 3h8t s LYS 174 Ca -0.05 0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.54 3h8t s LYS 174 Cb -0.08 -0.72 -0.08 0.00 -1.51 0.00 0.00 37.83 35.43 3h8t s LYS 174 CO -0.01 -0.37 1.39 -0.51 -0.36 0.00 0.00 175.35 175.49 3h8t s LEU 175 N 2.15 4.37 0.25 5.43 1.43 -1.26 -0.54 118.68 130.51 3h8t s LEU 175 Ca 0.05 2.33 0.16 0.00 -1.03 0.00 0.00 54.13 55.63 3h8t s LEU 175 Cb -0.13 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.56 3h8t s LEU 175 CO -0.04 -0.65 1.35 0.77 0.23 0.00 0.00 176.35 178.01 3h8t h SER 176 N 6.79 0.00 -0.30 2.29 4.64 -1.63 -3.47 113.55 121.86 3h8t h SER 176 Ca -0.42 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.77 3h8t h SER 176 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 3h8t h SER 176 CO 0.86 0.47 -0.12 0.29 -0.87 0.00 0.00 176.83 177.46 3h8t n LYS 177 N -3.15 -1.55 -1.70 4.77 4.76 -1.26 -4.95 118.16 115.08 3h8t n LYS 177 Ca 0.00 0.67 -0.43 0.00 -2.87 0.00 0.00 58.31 55.68 3h8t n LYS 177 Cb 0.73 -4.95 -0.02 0.00 -1.84 0.00 0.00 35.03 28.95 3h8t n LYS 177 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3h8t n ARG 178 N -0.59 2.38 -3.58 1.97 1.74 -1.26 -4.31 116.66 113.01 3h8t n ARG 178 Ca -0.06 0.85 -0.36 0.00 -0.77 0.00 0.00 57.85 57.50 3h8t n ARG 178 Cb 0.48 -2.58 -0.08 0.00 -1.02 0.00 0.00 32.46 29.26 3h8t n ARG 178 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h8t s VAL 179 N 0.19 5.32 0.08 1.55 1.01 -0.34 -4.44 120.40 123.77 3h8t s VAL 179 Ca 0.68 0.42 0.07 0.00 0.00 0.00 0.00 61.98 63.15 3h8t s VAL 179 Cb -0.58 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3h8t s VAL 179 CO 0.46 0.36 -0.12 -0.36 0.00 0.00 0.00 175.10 175.44 3h8t s PHE 180 N 0.75 2.69 -0.19 5.22 0.08 -0.05 -0.82 117.98 125.66 3h8t s PHE 180 Ca 0.13 -0.18 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 3h8t s PHE 180 Cb -0.13 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3h8t s PHE 180 CO 0.04 0.38 0.08 -0.06 -0.10 0.00 0.00 175.22 175.56 3h8t s PHE 181 N -1.13 3.29 -0.19 0.36 0.40 -0.11 -0.55 117.98 120.05 3h8t s PHE 181 Ca 0.19 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.65 3h8t s PHE 181 Cb -0.11 -2.10 0.05 0.00 0.51 0.00 0.00 43.02 41.38 3h8t s PHE 181 CO 0.11 0.19 -0.02 0.08 0.70 0.00 0.00 175.22 176.28 3h8t s VAL 182 N 0.36 0.96 0.08 -0.44 1.01 0.67 -1.08 120.40 121.96 3h8t s VAL 182 Ca 0.04 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 3h8t s VAL 182 Cb -0.12 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 3h8t s VAL 182 CO -0.00 -0.05 1.20 -0.13 0.00 0.00 0.00 175.10 176.12 3h8t s ARG 183 N 1.67 4.44 0.62 2.72 0.52 -0.00 -0.57 118.95 128.35 3h8t s ARG 183 Ca -0.01 1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 56.88 3h8t s ARG 183 Cb -0.17 -3.33 0.14 0.00 0.52 0.00 0.00 34.95 32.12 3h8t s ARG 183 CO -0.07 -0.23 0.84 0.41 0.02 0.00 0.00 175.30 176.27 3h8t n GLY 184 N 3.05 -1.39 0.32 -3.53 0.00 0.37 -3.02 105.19 100.99 3h8t n GLY 184 Ca 0.08 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.49 3h8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8t h ALA 185 N -1.88 1.89 -0.07 4.61 0.00 -1.83 -0.52 119.26 121.46 3h8t h ALA 185 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h8t h ALA 185 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3h8t h ALA 185 CO 0.19 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 3h8t n ASP 186 N -4.48 2.25 0.00 0.00 3.85 -1.26 -0.32 116.55 116.59 3h8t n ASP 186 Ca 0.04 -1.75 0.00 0.00 -0.71 0.00 0.00 54.79 52.37 3h8t n ASP 186 Cb 0.19 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3h8t n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h8t n GLY 187 N 1.26 2.27 3.77 6.12 0.00 -0.22 -4.92 105.19 113.46 3h8t n GLY 187 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3h8t n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8t s ASN 188 N -1.76 5.87 -0.13 1.61 0.01 -1.26 -4.50 114.94 114.79 3h8t s ASN 188 Ca 0.00 2.88 -0.05 0.00 -0.71 0.00 0.00 52.86 54.99 3h8t s ASN 188 Cb 0.00 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 3h8t s ASN 188 CO 0.00 -1.18 0.04 -0.63 -1.51 0.00 0.00 177.10 173.83 3h8t s ILE 189 N -1.22 4.65 0.01 0.60 1.01 -1.26 -0.48 121.20 124.52 3h8t s ILE 189 Ca 0.61 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.19 3h8t s ILE 189 Cb -0.43 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3h8t s ILE 189 CO 0.55 0.55 -0.05 0.00 0.00 0.00 0.00 174.94 175.99 3h8t s ALA 190 N -0.41 3.08 -0.18 9.38 0.00 0.26 -0.53 121.76 133.37 3h8t s ALA 190 Ca 0.09 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 3h8t s ALA 190 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 3h8t s ALA 190 CO 0.02 0.62 0.37 0.21 0.00 0.00 0.00 175.76 176.98 3h8t s LYS 191 N -1.51 4.23 -0.03 0.00 2.20 -0.23 -0.24 119.74 124.16 3h8t s LYS 191 Ca 0.18 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 3h8t s LYS 191 Cb -0.11 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3h8t s LYS 191 CO 0.09 0.09 -0.08 0.08 -0.36 0.00 0.00 175.35 175.17 3h8t s VAL 192 N 0.91 0.71 -0.02 4.02 1.01 0.28 -0.55 120.40 126.77 3h8t s VAL 192 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3h8t s VAL 192 Cb -0.14 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.61 3h8t s VAL 192 CO 0.07 0.23 0.00 -1.58 0.00 0.00 0.00 175.10 173.82 3h8t s GLN 193 N 0.26 0.17 -0.11 2.72 0.74 -0.61 -0.87 119.66 121.96 3h8t s GLN 193 Ca -0.04 0.07 -0.21 0.00 0.05 0.00 0.00 55.36 55.23 3h8t s GLN 193 Cb -0.09 -0.34 -0.04 0.00 1.10 0.00 0.00 33.01 33.65 3h8t s GLN 193 CO 0.00 -0.10 0.62 -0.06 -0.55 0.00 0.00 175.29 175.20 3h8t s PHE 194 N 0.79 3.51 -0.25 1.67 0.40 -1.26 -0.49 117.98 122.35 3h8t s PHE 194 Ca -0.07 1.07 0.09 0.00 -0.60 0.00 0.00 56.93 57.41 3h8t s PHE 194 Cb -0.10 -2.73 -0.11 0.00 0.51 0.00 0.00 43.02 40.59 3h8t s PHE 194 CO -0.02 0.05 0.30 0.25 0.70 0.00 0.00 175.22 176.51 3h8t n THR 195 N 3.95 0.00 -3.51 0.64 -2.24 0.68 -4.55 114.28 109.24 3h8t n THR 195 Ca -0.03 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.33 3h8t n THR 195 Cb 0.51 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 3h8t n THR 195 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h8t s ASP 196 N -2.30 -0.61 0.00 3.42 3.68 -1.06 -4.97 116.67 114.84 3h8t s ASP 196 Ca 0.01 0.50 0.03 0.00 2.13 0.00 0.00 52.55 55.22 3h8t s ASP 196 Cb 0.06 0.54 0.04 0.00 -1.45 0.00 0.00 42.92 42.11 3h8t s ASP 196 CO 0.36 -0.69 0.67 0.00 0.13 0.00 0.00 175.17 175.65 3h8t n TYR 197 N 0.61 0.02 -3.93 -5.34 0.18 -1.26 -1.42 117.16 106.02 3h8t n TYR 197 Ca -0.19 -0.07 -0.09 0.00 1.88 0.00 0.00 57.90 59.43 3h8t n TYR 197 Cb 0.59 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.46 3h8t n TYR 197 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 3h8t s GLN 198 N -0.38 0.70 0.30 -3.48 -2.07 -0.77 -1.46 119.66 112.50 3h8t s GLN 198 Ca 0.04 -0.94 -0.04 0.00 -1.82 0.00 0.00 55.36 52.60 3h8t s GLN 198 Cb 0.03 0.28 0.07 0.00 -1.09 0.00 0.00 33.01 32.29 3h8t s GLN 198 CO 0.04 -0.19 0.41 -0.40 -1.32 0.00 0.00 175.29 173.83 3h8t n ASP 199 N 0.27 0.16 0.00 12.60 5.68 -0.68 -4.85 116.55 129.72 3h8t n ASP 199 Ca -0.16 -1.22 0.11 0.00 -0.50 0.00 0.00 54.79 53.01 3h8t n ASP 199 Cb 0.61 -0.30 0.48 0.00 -1.14 0.00 0.00 41.12 40.76 3h8t n ASP 199 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h8t n ALA 200 N -3.19 2.02 -0.42 2.12 0.00 -1.26 -1.58 120.51 118.20 3h8t n ALA 200 Ca -0.07 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.40 3h8t n ALA 200 Cb 0.19 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 18.60 3h8t n ALA 200 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h8t n GLU 201 N -1.49 2.99 -1.51 0.00 1.02 -1.26 -4.97 120.64 115.43 3h8t n GLU 201 Ca 0.05 -2.67 -0.13 0.00 -0.02 0.00 0.00 57.16 54.40 3h8t n GLU 201 Cb 0.26 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 3h8t n GLU 201 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h8t n LEU 202 N 1.39 -1.03 -4.67 -4.62 4.77 -0.61 -5.00 117.00 107.24 3h8t n LEU 202 Ca 0.24 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 3h8t n LEU 202 Cb 0.67 -1.95 -0.03 0.00 -2.33 0.00 0.00 43.42 39.78 3h8t n LEU 202 CO 0.18 -0.59 1.26 -0.75 -1.33 0.00 0.00 177.39 176.16 3h8t s LYS 203 N -3.32 4.21 0.50 3.23 2.20 -1.26 -4.75 119.74 120.55 3h8t s LYS 203 Ca 0.00 2.05 -0.19 0.00 -0.36 0.00 0.00 55.97 57.47 3h8t s LYS 203 Cb 0.00 -3.84 -0.08 0.00 -1.51 0.00 0.00 37.83 32.40 3h8t s LYS 203 CO 0.00 -0.76 1.01 0.15 -0.36 0.00 0.00 175.35 175.39 3h8t s LYS 204 N 3.54 3.82 0.00 4.03 -0.14 -1.26 -1.69 119.74 128.04 3h8t s LYS 204 Ca 0.68 1.18 0.00 0.00 -1.36 0.00 0.00 55.97 56.47 3h8t s LYS 204 Cb -0.31 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 3h8t s LYS 204 CO 0.26 -0.39 0.00 0.41 -0.76 0.00 0.00 175.35 174.87 3h8t n GLY 205 N -0.79 0.66 3.57 -3.33 0.00 -0.54 -4.69 105.19 100.08 3h8t n GLY 205 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3h8t n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h8t s VAL 206 N -2.27 5.25 -0.14 1.61 1.01 -1.18 -0.72 120.40 123.96 3h8t s VAL 206 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 3h8t s VAL 206 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3h8t s VAL 206 CO 0.00 0.11 -0.05 -0.63 0.00 0.00 0.00 175.10 174.53 3h8t s ILE 207 N 1.87 3.83 -0.07 2.22 -1.09 0.36 -1.85 121.20 126.47 3h8t s ILE 207 Ca 0.10 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.17 3h8t s ILE 207 Cb -0.16 -2.65 -0.00 0.00 -1.58 0.00 0.00 42.46 38.06 3h8t s ILE 207 CO 0.11 0.52 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.21 3h8t s THR 208 N 0.10 1.96 0.03 2.92 2.01 -0.51 -0.57 115.64 121.58 3h8t s THR 208 Ca -0.01 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 3h8t s THR 208 Cb -0.14 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 3h8t s THR 208 CO 0.03 0.54 -0.02 0.72 -0.69 0.00 0.00 174.62 175.20 3h8t s PHE 209 N 0.09 0.33 -0.13 4.92 -0.12 -0.40 -0.23 117.98 122.45 3h8t s PHE 209 Ca -0.10 -0.69 -0.07 0.00 -0.05 0.00 0.00 56.93 56.02 3h8t s PHE 209 Cb -0.15 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 3h8t s PHE 209 CO 0.06 -0.26 0.13 0.99 -0.05 0.00 0.00 175.22 176.09 3h8t s THR 210 N -2.25 5.44 0.02 -4.49 2.01 0.36 -0.65 115.64 116.08 3h8t s THR 210 Ca -0.09 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.12 3h8t s THR 210 Cb -0.04 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 3h8t s THR 210 CO -0.04 0.60 -0.08 -0.72 -0.69 0.00 0.00 174.62 173.68 3h8t s TYR 211 N -0.83 0.72 -0.15 4.92 -0.85 0.20 -1.57 117.35 119.78 3h8t s TYR 211 Ca 0.14 -0.29 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 3h8t s TYR 211 Cb -0.12 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.78 3h8t s TYR 211 CO 0.03 -0.03 -0.17 0.99 -1.52 0.00 0.00 175.55 174.85 3h8t s THR 212 N -0.73 2.47 -0.20 -3.49 2.01 0.29 -1.26 115.64 114.72 3h8t s THR 212 Ca -0.02 -0.84 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 3h8t s THR 212 Cb -0.06 -2.02 0.06 0.00 0.01 0.00 0.00 72.50 70.49 3h8t s THR 212 CO 0.00 0.53 0.64 -0.47 -0.69 0.00 0.00 174.62 174.62 3h8t s TYR 213 N 0.81 -0.68 0.30 4.92 6.14 -0.33 -1.07 117.35 127.45 3h8t s TYR 213 Ca -0.06 1.57 -0.17 0.00 0.64 0.00 0.00 57.07 59.05 3h8t s TYR 213 Cb -0.15 0.26 -0.09 0.00 0.42 0.00 0.00 41.96 42.40 3h8t s TYR 213 CO -0.01 -0.39 0.76 -1.25 0.64 0.00 0.00 175.55 175.30 3h8t s PRO 214 N 0.02 4.12 0.11 4.97 0.04 -1.26 -1.37 135.00 141.62 3h8t s PRO 214 Ca -0.02 0.79 0.08 0.00 0.04 0.00 0.00 61.00 61.88 3h8t s PRO 214 Cb -0.04 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 3h8t s PRO 214 CO 0.03 0.22 -0.15 0.14 0.04 0.00 0.00 177.00 177.28 3h8t s VAL 215 N -1.85 3.05 0.00 -0.36 -7.23 0.31 -4.04 120.40 110.29 3h8t s VAL 215 Ca 0.51 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 3h8t s VAL 215 Cb -0.12 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3h8t s VAL 215 CO 0.18 0.12 0.00 1.17 -0.31 0.00 0.00 175.10 176.27