#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tp8 s LYS 2 N 0.00 3.61 0.33 1.61 2.47 0.39 -4.76 119.74 123.39 1tp8 s LYS 2 Ca 0.00 -0.31 -0.28 0.00 -1.56 0.00 0.00 55.97 53.82 1tp8 s LYS 2 Cb 0.00 -3.79 -0.10 0.00 -1.46 0.00 0.00 37.83 32.48 1tp8 s LYS 2 CO 0.00 -0.53 1.21 0.00 0.16 0.00 0.00 175.35 176.18 1tp8 s ALA 3 N 2.12 3.38 0.15 3.13 0.00 -1.26 -2.32 121.76 126.95 1tp8 s ALA 3 Ca 0.14 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1tp8 s ALA 3 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1tp8 s ALA 3 CO 0.12 -0.46 -0.01 -0.59 0.00 0.00 0.00 175.76 174.82 1tp8 s PHE 4 N -1.21 1.07 -0.28 0.00 -0.12 -0.73 -4.98 117.98 111.74 1tp8 s PHE 4 Ca 0.49 -1.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.36 1tp8 s PHE 4 Cb -0.35 -0.62 0.17 0.00 -0.63 0.00 0.00 43.02 41.59 1tp8 s PHE 4 CO 0.46 -0.24 0.48 0.34 -0.05 0.00 0.00 175.22 176.21 1tp8 s ASP 5 N -3.12 -0.43 0.18 1.98 -1.08 -1.26 -1.60 116.67 111.34 1tp8 s ASP 5 Ca 0.21 0.22 0.01 0.00 -0.52 0.00 0.00 52.55 52.47 1tp8 s ASP 5 Cb 0.06 1.53 0.05 0.00 -1.46 0.00 0.00 42.92 43.10 1tp8 s ASP 5 CO 0.01 -0.30 1.42 0.44 0.52 0.00 0.00 175.17 177.26 1tp8 h ASP 6 N 8.10 0.34 -3.85 -0.34 3.32 -1.74 -3.49 116.42 118.75 1tp8 h ASP 6 Ca -0.14 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1tp8 h ASP 6 Cb 1.15 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1tp8 h ASP 6 CO 0.25 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.38 1tp8 n GLY 7 N 0.67 -1.74 3.49 2.75 0.00 -1.26 -4.95 105.19 104.15 1tp8 n GLY 7 Ca -0.04 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1tp8 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tp8 s ALA 8 N -1.96 2.78 0.00 4.61 0.00 -1.26 -4.09 121.76 121.83 1tp8 s ALA 8 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1tp8 s ALA 8 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1tp8 s ALA 8 CO 0.00 0.47 0.00 1.19 0.00 0.00 0.00 175.76 177.42 1tp8 n PHE 9 N 2.65 0.00 -0.26 0.00 3.01 0.54 -5.02 117.46 118.38 1tp8 n PHE 9 Ca -0.18 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.33 1tp8 n PHE 9 Cb 0.53 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.11 1tp8 n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1tp8 n THR 10 N 0.00 1.19 -1.01 4.37 -2.24 -0.70 -4.89 114.28 111.00 1tp8 n THR 10 Ca 0.00 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1tp8 n THR 10 Cb 0.00 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1tp8 n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tp8 n GLY 11 N -0.08 -2.00 3.00 3.38 0.00 -1.20 -4.89 105.19 103.40 1tp8 n GLY 11 Ca 0.09 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 1tp8 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tp8 s ILE 12 N -2.15 0.87 -0.13 -0.61 1.01 -1.26 -1.70 121.20 117.22 1tp8 s ILE 12 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1tp8 s ILE 12 Cb 0.00 -0.79 -0.08 0.00 0.01 0.00 0.00 42.46 41.60 1tp8 s ILE 12 CO 0.00 0.28 -0.12 0.54 0.00 0.00 0.00 174.94 175.63 1tp8 n ARG 13 N 3.50 0.33 -3.70 2.79 1.74 -0.37 -4.78 116.66 116.17 1tp8 n ARG 13 Ca -0.20 0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 56.83 1tp8 n ARG 13 Cb 0.53 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.65 1tp8 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1tp8 s GLU 14 N -2.26 0.59 -0.12 5.56 2.12 -1.05 -0.80 118.70 122.73 1tp8 s GLU 14 Ca -0.18 0.71 0.01 0.00 0.36 0.00 0.00 54.97 55.88 1tp8 s GLU 14 Cb 0.05 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 1tp8 s GLU 14 CO 0.30 -0.07 -0.16 0.42 -0.54 0.00 0.00 175.26 175.20 1tp8 s ILE 15 N 0.33 2.74 -0.31 -3.70 1.01 0.18 -0.25 121.20 121.19 1tp8 s ILE 15 Ca -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1tp8 s ILE 15 Cb -0.04 -2.12 0.08 0.00 0.01 0.00 0.00 42.46 40.39 1tp8 s ILE 15 CO -0.00 0.54 0.00 0.20 0.00 0.00 0.00 174.94 175.68 1tp8 s ASN 16 N 0.32 4.72 0.22 3.58 0.01 0.11 0.51 114.94 124.42 1tp8 s ASN 16 Ca -0.13 -1.79 0.06 0.00 -0.71 0.00 0.00 52.86 50.29 1tp8 s ASN 16 Cb -0.16 -1.63 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 1tp8 s ASN 16 CO 0.07 -0.32 -0.07 -1.48 -1.51 0.00 0.00 177.10 173.78 1tp8 s LEU 17 N 1.03 2.44 0.14 0.60 0.05 -0.69 -0.50 118.68 121.74 1tp8 s LEU 17 Ca 0.02 -1.12 0.07 0.00 0.05 0.00 0.00 54.13 53.15 1tp8 s LEU 17 Cb -0.20 -0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 43.40 1tp8 s LEU 17 CO -0.06 -0.34 -0.16 -0.94 -0.55 0.00 0.00 176.35 174.30 1tp8 s SER 18 N -3.33 2.29 0.33 1.48 1.04 -0.68 0.06 113.70 114.90 1tp8 s SER 18 Ca 0.25 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.89 1tp8 s SER 18 Cb 0.03 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1tp8 s SER 18 CO 0.08 -0.08 0.38 0.00 0.98 0.00 0.00 173.24 174.59 1tp8 n TYR 19 N 0.51 -1.11 -3.79 5.02 4.11 -0.30 -0.34 117.16 121.26 1tp8 n TYR 19 Ca -0.15 -2.49 -0.17 0.00 -0.00 0.00 0.00 57.90 55.09 1tp8 n TYR 19 Cb 0.57 0.41 -0.17 0.00 -0.00 0.00 0.00 39.34 40.15 1tp8 n TYR 19 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1tp8 s ASN 20 N -3.18 0.46 0.61 9.48 3.84 -1.09 0.21 114.94 125.28 1tp8 s ASN 20 Ca 0.33 0.03 0.37 0.00 0.21 0.00 0.00 52.86 53.79 1tp8 s ASN 20 Cb 0.00 -0.14 2.01 0.00 -0.55 0.00 0.00 41.25 42.57 1tp8 s ASN 20 CO 0.24 -0.15 2.26 0.50 -2.79 0.00 0.00 177.10 177.16 1tp8 h LYS 21 N 7.58 0.00 0.00 0.43 3.64 -1.90 -2.93 116.57 123.39 1tp8 h LYS 21 Ca -0.37 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.73 1tp8 h LYS 21 Cb 1.12 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1tp8 h LYS 21 CO 0.40 0.02 -2.25 0.39 -2.27 0.00 0.00 179.45 175.73 1tp8 n GLU 22 N -3.40 0.68 0.00 1.90 1.02 -1.26 -4.61 120.64 114.97 1tp8 n GLU 22 Ca -0.03 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1tp8 n GLU 22 Cb 0.12 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1tp8 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1tp8 n THR 23 N -2.66 0.00 -2.75 2.62 -2.24 -1.11 -5.00 114.28 103.15 1tp8 n THR 23 Ca -0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1tp8 n THR 23 Cb 1.02 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1tp8 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tp8 n ALA 24 N -3.00 0.00 -1.76 6.98 0.00 -1.25 -4.59 120.51 116.89 1tp8 n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1tp8 n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1tp8 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1tp8 s ILE 25 N -2.88 3.72 0.00 0.00 -1.09 -1.04 -2.65 121.20 117.25 1tp8 s ILE 25 Ca 0.00 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1tp8 s ILE 25 Cb 0.00 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1tp8 s ILE 25 CO 0.00 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1tp8 n GLY 26 N 1.32 0.26 3.86 6.18 0.00 0.54 -1.28 105.19 116.07 1tp8 n GLY 26 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1tp8 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tp8 s ASP 27 N -0.40 6.15 -0.15 1.61 1.01 -1.25 -4.31 116.67 119.33 1tp8 s ASP 27 Ca 0.00 1.44 -0.09 0.00 0.71 0.00 0.00 52.55 54.62 1tp8 s ASP 27 Cb 0.00 -2.47 0.05 0.00 1.01 0.00 0.00 42.92 41.51 1tp8 s ASP 27 CO 0.00 -0.92 0.36 0.12 0.21 0.00 0.00 175.17 174.94 1tp8 s PHE 28 N -3.15 -0.50 -0.23 4.23 5.36 -0.65 -1.68 117.98 121.36 1tp8 s PHE 28 Ca 0.55 1.11 -0.17 0.00 -0.96 0.00 0.00 56.93 57.46 1tp8 s PHE 28 Cb -0.11 0.19 0.07 0.00 -0.34 0.00 0.00 43.02 42.82 1tp8 s PHE 28 CO 0.54 -0.29 0.59 -1.14 -1.46 0.00 0.00 175.22 173.46 1tp8 s GLN 29 N 1.17 0.65 -0.01 10.12 -0.44 0.35 -1.97 119.66 129.53 1tp8 s GLN 29 Ca -0.08 0.95 0.03 0.00 -2.50 0.00 0.00 55.36 53.77 1tp8 s GLN 29 Cb -0.08 0.21 -0.01 0.00 -1.64 0.00 0.00 33.01 31.49 1tp8 s GLN 29 CO -0.10 -0.12 -0.11 0.54 0.50 0.00 0.00 175.29 176.00 1tp8 s VAL 30 N 0.95 0.88 -0.41 1.34 0.11 -1.26 0.04 120.40 122.04 1tp8 s VAL 30 Ca -0.05 -0.48 -0.15 0.00 -2.93 0.00 0.00 61.98 58.36 1tp8 s VAL 30 Cb -0.05 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.08 1tp8 s VAL 30 CO -0.08 0.24 0.32 -0.69 -3.33 0.00 0.00 175.10 171.56 1tp8 s VAL 31 N -0.27 5.23 0.73 2.04 1.01 0.65 -2.08 120.40 127.71 1tp8 s VAL 31 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1tp8 s VAL 31 Cb -0.04 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1tp8 s VAL 31 CO -0.00 -0.33 1.05 -0.31 0.00 0.00 0.00 175.10 175.50 1tp8 s TYR 32 N 1.75 2.87 -0.19 5.22 2.02 0.17 -1.24 117.35 127.96 1tp8 s TYR 32 Ca 0.06 0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 57.18 1tp8 s TYR 32 Cb -0.19 -3.27 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 1tp8 s TYR 32 CO 0.11 -1.51 0.03 0.34 -1.57 0.00 0.00 175.55 172.95 1tp8 s ASP 33 N -4.54 5.21 -0.53 2.29 2.15 -0.69 -0.52 116.67 120.04 1tp8 s ASP 33 Ca 0.61 -0.07 0.04 0.00 0.43 0.00 0.00 52.55 53.56 1tp8 s ASP 33 Cb -0.11 -1.89 0.13 0.00 -0.30 0.00 0.00 42.92 40.76 1tp8 s ASP 33 CO 0.46 0.12 0.27 -0.22 -0.17 0.00 0.00 175.17 175.63 1tp8 s LEU 34 N 0.67 4.29 -1.21 -1.34 2.96 0.17 -1.72 118.68 122.50 1tp8 s LEU 34 Ca 0.01 -3.05 -0.00 0.00 -0.22 0.00 0.00 54.13 50.87 1tp8 s LEU 34 Cb -0.14 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1tp8 s LEU 34 CO 0.02 -0.22 0.97 0.59 -1.32 0.00 0.00 176.35 176.38 1tp8 n ASN 35 N 3.06 -1.99 0.00 3.68 3.02 -1.26 -2.51 115.26 119.26 1tp8 n ASN 35 Ca 0.06 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1tp8 n ASN 35 Cb 0.32 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.48 1tp8 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tp8 n GLY 36 N -1.19 1.01 3.12 7.41 0.00 -1.26 -5.04 105.19 109.24 1tp8 n GLY 36 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1tp8 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tp8 s SER 37 N -2.95 1.81 0.32 1.61 0.01 -1.04 -5.12 113.70 108.34 1tp8 s SER 37 Ca 0.00 -0.28 -0.28 0.00 1.31 0.00 0.00 55.95 56.70 1tp8 s SER 37 Cb 0.00 -0.29 -0.13 0.00 0.21 0.00 0.00 66.02 65.81 1tp8 s SER 37 CO 0.00 0.17 1.13 -2.65 0.41 0.00 0.00 173.24 172.29 1tp8 n PRO 38 N 2.85 1.68 -3.77 12.44 -0.02 -1.26 0.46 135.00 147.38 1tp8 n PRO 38 Ca -0.16 0.59 -0.26 0.00 -2.02 0.00 0.00 63.50 61.66 1tp8 n PRO 38 Cb 0.54 -2.06 -0.17 0.00 -0.02 0.00 0.00 33.50 31.80 1tp8 n PRO 38 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1tp8 s TYR 39 N -1.09 0.97 -0.50 6.00 5.04 0.32 -4.74 117.35 123.36 1tp8 s TYR 39 Ca 0.57 -0.59 -0.28 0.00 -2.44 0.00 0.00 57.07 54.33 1tp8 s TYR 39 Cb -0.64 -0.98 0.03 0.00 0.35 0.00 0.00 41.96 40.73 1tp8 s TYR 39 CO 0.61 -0.49 1.13 0.08 -1.34 0.00 0.00 175.55 175.53 1tp8 s VAL 40 N 1.87 4.19 0.77 3.14 1.01 -1.26 -0.66 120.40 129.47 1tp8 s VAL 40 Ca 0.02 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1tp8 s VAL 40 Cb -0.15 -4.62 0.06 0.00 0.00 0.00 0.00 36.38 31.68 1tp8 s VAL 40 CO -0.07 -1.07 1.10 -0.83 0.00 0.00 0.00 175.10 174.23 1tp8 s GLY 41 N 2.56 1.73 0.64 4.51 0.00 -0.88 -4.99 107.32 110.90 1tp8 s GLY 41 Ca 0.45 0.34 -0.18 0.00 0.00 0.00 0.00 44.72 45.33 1tp8 s GLY 41 CO 0.30 0.69 1.29 1.62 0.00 0.00 0.00 173.10 177.00 1tp8 s GLN 42 N -4.78 2.59 -0.21 2.90 0.74 -1.26 -4.74 119.66 114.89 1tp8 s GLN 42 Ca 0.62 2.06 -0.16 0.00 0.05 0.00 0.00 55.36 57.93 1tp8 s GLN 42 Cb -0.18 -1.86 -0.04 0.00 1.10 0.00 0.00 33.01 32.03 1tp8 s GLN 42 CO 0.55 -1.56 0.41 1.21 -0.55 0.00 0.00 175.29 175.34 1tp8 s ASN 43 N -1.39 6.43 -0.54 6.67 3.04 -1.26 -4.59 114.94 123.31 1tp8 s ASN 43 Ca 0.82 0.51 -0.13 0.00 0.04 0.00 0.00 52.86 54.09 1tp8 s ASN 43 Cb -0.37 -2.24 0.13 0.00 -1.54 0.00 0.00 41.25 37.23 1tp8 s ASN 43 CO 0.39 -0.11 0.46 -1.00 -3.04 0.00 0.00 177.10 173.81 1tp8 s HIS 44 N 1.46 3.34 0.27 0.43 3.76 -0.83 -5.03 115.29 118.69 1tp8 s HIS 44 Ca 0.19 -1.55 0.01 0.00 -0.15 0.00 0.00 55.06 53.56 1tp8 s HIS 44 Cb -0.15 -3.69 -0.04 0.00 1.11 0.00 0.00 32.58 29.81 1tp8 s HIS 44 CO 0.08 -1.01 0.45 -1.54 -0.85 0.00 0.00 174.74 171.88 1tp8 s SER 45 N 3.16 6.33 0.50 1.40 1.04 -1.26 -1.63 113.70 123.24 1tp8 s SER 45 Ca 0.05 0.35 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 1tp8 s SER 45 Cb -0.27 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 63.79 1tp8 s SER 45 CO 0.01 -0.16 0.94 -0.55 0.98 0.00 0.00 173.24 174.46 1tp8 s SER 46 N -3.72 6.54 0.03 7.02 0.15 -1.26 -4.85 113.70 117.61 1tp8 s SER 46 Ca 0.38 1.44 0.16 0.00 0.70 0.00 0.00 55.95 58.63 1tp8 s SER 46 Cb -0.10 -2.46 0.69 0.00 -1.71 0.00 0.00 66.02 62.44 1tp8 s SER 46 CO 0.32 -0.58 1.51 0.49 1.20 0.00 0.00 173.24 176.18 1tp8 n PHE 47 N -1.69 0.09 -4.60 3.44 3.72 -0.24 -4.80 117.46 113.37 1tp8 n PHE 47 Ca 0.05 0.03 -0.28 0.00 -0.05 0.00 0.00 57.45 57.20 1tp8 n PHE 47 Cb 0.54 -0.56 -0.07 0.00 -0.94 0.00 0.00 39.48 38.45 1tp8 n PHE 47 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1tp8 n ILE 48 N -1.58 0.00 -4.74 4.37 -5.35 -1.26 -5.01 119.36 105.78 1tp8 n ILE 48 Ca 0.04 -2.43 -0.33 0.00 -0.27 0.00 0.00 62.75 59.76 1tp8 n ILE 48 Cb 0.19 0.73 -0.07 0.00 -1.74 0.00 0.00 39.64 38.74 1tp8 n ILE 48 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1tp8 s SER 49 N -3.65 3.97 0.00 7.28 0.01 -1.26 -4.92 113.70 115.12 1tp8 s SER 49 Ca 0.13 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 55.69 1tp8 s SER 49 Cb 0.01 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1tp8 s SER 49 CO 0.09 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1tp8 n GLY 50 N -1.25 1.23 3.96 3.44 0.00 -1.26 -5.12 105.19 106.19 1tp8 n GLY 50 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1tp8 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tp8 s PHE 51 N -2.00 3.30 -0.16 1.61 0.08 -1.26 -4.88 117.98 114.67 1tp8 s PHE 51 Ca 0.00 0.10 -0.13 0.00 0.12 0.00 0.00 56.93 57.03 1tp8 s PHE 51 Cb 0.00 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1tp8 s PHE 51 CO 0.00 -0.01 0.26 0.99 -0.10 0.00 0.00 175.22 176.35 1tp8 s THR 52 N -2.30 5.33 0.21 0.64 2.01 0.13 -4.85 115.64 116.81 1tp8 s THR 52 Ca 0.43 0.47 -0.19 0.00 0.31 0.00 0.00 61.69 62.71 1tp8 s THR 52 Cb -0.10 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 1tp8 s THR 52 CO 0.34 0.42 0.71 -2.16 -0.69 0.00 0.00 174.62 173.24 1tp8 s PRO 53 N 0.28 4.23 -0.02 4.92 0.04 -1.26 -1.15 135.00 142.04 1tp8 s PRO 53 Ca 0.15 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.05 1tp8 s PRO 53 Cb -0.13 -2.89 -0.00 0.00 0.04 0.00 0.00 34.50 31.52 1tp8 s PRO 53 CO 0.03 0.41 -0.08 0.08 0.04 0.00 0.00 177.00 177.48 1tp8 s VAL 54 N -1.51 0.69 -0.17 -0.36 1.01 0.11 -4.96 120.40 115.20 1tp8 s VAL 54 Ca 0.42 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1tp8 s VAL 54 Cb -0.17 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1tp8 s VAL 54 CO 0.21 0.21 -0.16 -0.75 0.00 0.00 0.00 175.10 174.61 1tp8 s LYS 55 N 0.04 2.54 -0.25 2.72 2.20 -1.26 -1.71 119.74 124.02 1tp8 s LYS 55 Ca -0.00 -0.73 -0.08 0.00 -0.36 0.00 0.00 55.97 54.80 1tp8 s LYS 55 Cb -0.06 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1tp8 s LYS 55 CO -0.00 -0.26 0.08 0.42 -0.36 0.00 0.00 175.35 175.23 1tp8 s ILE 56 N 1.39 4.47 -0.33 5.43 1.01 0.18 -5.00 121.20 128.35 1tp8 s ILE 56 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1tp8 s ILE 56 Cb -0.13 -3.09 0.09 0.00 0.01 0.00 0.00 42.46 39.33 1tp8 s ILE 56 CO -0.11 0.34 0.05 -0.44 0.00 0.00 0.00 174.94 174.78 1tp8 s SER 57 N 1.52 4.85 0.50 3.58 0.01 -1.26 -0.65 113.70 122.26 1tp8 s SER 57 Ca 0.06 -1.82 -0.19 0.00 1.31 0.00 0.00 55.95 55.32 1tp8 s SER 57 Cb -0.15 -1.68 -0.08 0.00 0.21 0.00 0.00 66.02 64.32 1tp8 s SER 57 CO 0.04 -0.36 1.01 -0.76 0.41 0.00 0.00 173.24 173.58 1tp8 s LEU 58 N 1.06 3.75 -1.28 2.44 2.01 0.02 -4.95 118.68 121.73 1tp8 s LEU 58 Ca 0.03 1.77 -0.08 0.00 0.01 0.00 0.00 54.13 55.86 1tp8 s LEU 58 Cb -0.20 -4.54 0.17 0.00 0.01 0.00 0.00 46.19 41.63 1tp8 s LEU 58 CO -0.05 -0.72 1.96 -0.67 1.01 0.00 0.00 176.35 177.87 1tp8 n ASP 59 N -1.25 5.76 -4.77 2.29 2.03 -1.26 -4.82 116.55 114.53 1tp8 n ASP 59 Ca 0.08 -3.14 -0.40 0.00 0.52 0.00 0.00 54.79 51.85 1tp8 n ASP 59 Cb 0.53 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.47 1tp8 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1tp8 s PHE 60 N -0.14 3.12 -2.17 -0.67 2.19 -1.26 -1.52 117.98 117.53 1tp8 s PHE 60 Ca 0.42 1.49 0.22 0.00 0.33 0.00 0.00 56.93 59.39 1tp8 s PHE 60 Cb 0.11 -3.55 0.49 0.00 -1.31 0.00 0.00 43.02 38.76 1tp8 s PHE 60 CO -0.01 -1.54 1.43 -0.35 1.83 0.00 0.00 175.22 176.59 1tp8 n PRO 61 N 0.66 2.57 0.00 10.12 -0.04 -1.26 -4.89 135.00 142.16 1tp8 n PRO 61 Ca 0.01 -2.40 0.13 0.00 -0.04 0.00 0.00 63.50 61.20 1tp8 n PRO 61 Cb 0.43 -1.52 0.64 0.00 -0.04 0.00 0.00 33.50 33.02 1tp8 n PRO 61 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1tp8 n SER 62 N 1.49 0.00 -4.03 3.54 3.41 -0.71 -4.63 113.62 112.69 1tp8 n SER 62 Ca 0.21 0.20 -0.30 0.00 -0.26 0.00 0.00 58.87 58.71 1tp8 n SER 62 Cb 0.60 -0.40 -0.16 0.00 -0.26 0.00 0.00 64.21 63.99 1tp8 n SER 62 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1tp8 s GLU 63 N -2.79 2.34 0.04 4.33 2.12 -0.58 -4.98 118.70 119.17 1tp8 s GLU 63 Ca 0.20 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1tp8 s GLU 63 Cb 0.18 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1tp8 s GLU 63 CO 0.46 -0.25 -0.04 1.52 -0.54 0.00 0.00 175.26 176.42 1tp8 s TYR 64 N 1.46 0.42 0.29 5.30 -0.85 -1.26 -4.27 117.35 118.43 1tp8 s TYR 64 Ca 0.05 -0.71 -0.30 0.00 -0.52 0.00 0.00 57.07 55.58 1tp8 s TYR 64 Cb -0.13 -0.29 -0.12 0.00 0.38 0.00 0.00 41.96 41.80 1tp8 s TYR 64 CO -0.11 -0.23 1.50 -0.89 -1.52 0.00 0.00 175.55 174.30 1tp8 n ILE 65 N 1.05 1.15 -0.01 -3.49 5.41 -1.26 -2.84 119.36 119.36 1tp8 n ILE 65 Ca -0.20 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1tp8 n ILE 65 Cb 0.57 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1tp8 n ILE 65 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1tp8 n THR 66 N 1.80 0.00 -3.63 1.39 -2.24 0.95 -4.76 114.28 107.79 1tp8 n THR 66 Ca 0.09 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1tp8 n THR 66 Cb 0.35 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1tp8 n THR 66 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1tp8 s GLU 67 N -0.82 0.56 -0.07 -0.78 2.12 -0.97 -1.32 118.70 117.42 1tp8 s GLU 67 Ca 0.00 0.61 0.03 0.00 0.36 0.00 0.00 54.97 55.98 1tp8 s GLU 67 Cb 0.00 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1tp8 s GLU 67 CO 0.00 -0.08 -0.18 0.08 -0.54 0.00 0.00 175.26 174.55 1tp8 s VAL 68 N 0.13 1.53 0.07 3.70 1.01 -1.14 -1.27 120.40 124.43 1tp8 s VAL 68 Ca 0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1tp8 s VAL 68 Cb -0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1tp8 s VAL 68 CO -0.04 0.44 0.12 -0.94 0.00 0.00 0.00 175.10 174.68 1tp8 s SER 69 N 0.40 0.21 0.00 3.32 1.04 -0.64 -1.15 113.70 116.89 1tp8 s SER 69 Ca -0.13 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1tp8 s SER 69 Cb -0.16 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1tp8 s SER 69 CO 0.05 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1tp8 n GLY 70 N 0.20 1.87 3.06 7.32 0.00 -0.87 0.75 105.19 117.52 1tp8 n GLY 70 Ca -0.16 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1tp8 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tp8 s TYR 71 N -8.04 0.88 0.21 1.61 2.02 -1.20 -1.31 117.35 111.53 1tp8 s TYR 71 Ca 0.00 -0.26 0.10 0.00 -0.37 0.00 0.00 57.07 56.54 1tp8 s TYR 71 Cb 0.00 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 1tp8 s TYR 71 CO 0.00 -0.01 -0.20 0.95 -1.57 0.00 0.00 175.55 174.72 1tp8 s THR 72 N -0.58 2.13 0.00 -0.71 -4.23 -0.72 -0.47 115.64 111.07 1tp8 s THR 72 Ca 0.01 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1tp8 s THR 72 Cb -0.06 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1tp8 s THR 72 CO 0.00 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1tp8 n GLY 73 N -0.03 -0.12 3.69 3.99 0.00 -0.10 -1.58 105.19 111.05 1tp8 n GLY 73 Ca -0.10 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1tp8 n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1tp8 s ASN 74 N 0.00 7.10 -0.13 1.61 3.84 -1.26 -0.08 114.94 126.02 1tp8 s ASN 74 Ca 0.00 1.80 -0.02 0.00 0.21 0.00 0.00 52.86 54.84 1tp8 s ASN 74 Cb 0.00 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.18 1tp8 s ASN 74 CO 0.00 -0.53 0.03 -0.69 -2.79 0.00 0.00 177.10 173.12 1tp8 s VAL 75 N 1.95 0.34 -1.55 -5.21 1.01 0.97 -4.83 120.40 113.09 1tp8 s VAL 75 Ca 0.55 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 1tp8 s VAL 75 Cb -0.24 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.52 1tp8 s VAL 75 CO 0.23 0.00 0.87 -0.24 0.00 0.00 0.00 175.10 175.96 1tp8 n SER 76 N 5.14 -3.78 0.00 3.32 2.88 -1.26 -0.85 113.62 119.07 1tp8 n SER 76 Ca -0.08 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1tp8 n SER 76 Cb 0.49 -3.54 0.00 0.00 -0.75 0.00 0.00 64.21 60.41 1tp8 n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tp8 n GLY 77 N -1.63 1.72 3.65 0.46 0.00 -1.26 -5.04 105.19 103.09 1tp8 n GLY 77 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1tp8 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tp8 s TYR 78 N -2.57 3.07 -0.24 1.61 2.02 -0.03 -5.05 117.35 116.15 1tp8 s TYR 78 Ca 0.00 0.11 -0.25 0.00 -0.37 0.00 0.00 57.07 56.56 1tp8 s TYR 78 Cb 0.00 -1.73 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1tp8 s TYR 78 CO 0.00 0.42 0.84 0.08 -1.57 0.00 0.00 175.55 175.32 1tp8 s VAL 79 N -0.91 4.83 0.39 0.71 1.01 -1.26 -0.02 120.40 125.15 1tp8 s VAL 79 Ca 0.14 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.75 1tp8 s VAL 79 Cb -0.11 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1tp8 s VAL 79 CO 0.04 -0.08 0.13 0.68 0.00 0.00 0.00 175.10 175.87 1tp8 s VAL 80 N 2.86 0.59 -0.40 2.92 -7.23 0.88 -4.80 120.40 115.23 1tp8 s VAL 80 Ca 0.35 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.31 1tp8 s VAL 80 Cb -0.15 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1tp8 s VAL 80 CO 0.07 0.00 0.67 -0.69 -0.31 0.00 0.00 175.10 174.84 1tp8 s VAL 81 N -3.25 4.82 -0.16 1.32 1.01 -0.58 -0.92 120.40 122.64 1tp8 s VAL 81 Ca 0.26 0.43 0.19 0.00 0.00 0.00 0.00 61.98 62.87 1tp8 s VAL 81 Cb 0.03 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1tp8 s VAL 81 CO 0.15 -0.47 0.85 0.54 0.00 0.00 0.00 175.10 176.17 1tp8 n ARG 82 N 6.24 0.62 -4.06 2.72 1.74 0.38 -2.51 116.66 121.80 1tp8 n ARG 82 Ca -0.01 0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 57.14 1tp8 n ARG 82 Cb 0.48 -1.79 -0.09 0.00 -1.02 0.00 0.00 32.46 30.05 1tp8 n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1tp8 s SER 83 N -5.53 0.31 -0.16 0.55 0.15 -1.09 -1.46 113.70 106.47 1tp8 s SER 83 Ca -0.03 -1.00 -0.20 0.00 0.70 0.00 0.00 55.95 55.42 1tp8 s SER 83 Cb 0.09 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1tp8 s SER 83 CO 0.81 -0.70 0.54 -0.22 1.20 0.00 0.00 173.24 174.87 1tp8 s LEU 84 N -2.96 -0.07 -0.03 3.45 2.96 -0.60 -3.23 118.68 118.20 1tp8 s LEU 84 Ca 0.14 0.94 -0.00 0.00 -0.22 0.00 0.00 54.13 54.99 1tp8 s LEU 84 Cb 0.07 1.90 0.03 0.00 0.50 0.00 0.00 46.19 48.69 1tp8 s LEU 84 CO -0.05 -0.28 0.02 -0.89 -1.32 0.00 0.00 176.35 173.83 1tp8 s THR 85 N -0.09 0.07 -0.20 3.68 2.01 0.23 -1.57 115.64 119.77 1tp8 s THR 85 Ca -0.03 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1tp8 s THR 85 Cb -0.03 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1tp8 s THR 85 CO 0.02 0.14 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.68 1tp8 s PHE 86 N 1.27 2.94 -0.14 4.92 0.08 -0.60 -1.62 117.98 124.83 1tp8 s PHE 86 Ca -0.06 -0.80 0.01 0.00 0.12 0.00 0.00 56.93 56.20 1tp8 s PHE 86 Cb -0.13 -2.04 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 1tp8 s PHE 86 CO -0.03 -0.42 -0.16 0.21 -0.10 0.00 0.00 175.22 174.73 1tp8 s LYS 87 N 1.13 3.23 0.10 0.44 2.20 -0.39 -0.29 119.74 126.17 1tp8 s LYS 87 Ca 0.02 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1tp8 s LYS 87 Cb -0.15 -2.59 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1tp8 s LYS 87 CO -0.01 0.08 0.08 0.25 -0.36 0.00 0.00 175.35 175.39 1tp8 n THR 88 N 3.89 0.00 0.69 3.43 -2.24 -0.10 -0.03 114.28 119.92 1tp8 n THR 88 Ca -0.19 -0.41 0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1tp8 n THR 88 Cb 0.52 -0.46 0.47 0.00 -2.10 0.00 0.00 70.33 68.75 1tp8 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1tp8 n ASN 89 N -2.07 0.27 -0.03 3.42 6.94 -1.13 -3.81 115.26 118.84 1tp8 n ASN 89 Ca -0.00 0.54 -0.04 0.00 -0.02 0.00 0.00 54.58 55.06 1tp8 n ASN 89 Cb 0.12 -0.61 -0.04 0.00 -2.36 0.00 0.00 39.78 36.89 1tp8 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1tp8 n LYS 90 N -1.77 1.44 -4.10 -3.83 5.02 -1.26 -5.07 118.16 108.59 1tp8 n LYS 90 Ca 0.05 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.23 1tp8 n LYS 90 Cb 0.29 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 1tp8 n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1tp8 s LYS 91 N -2.15 1.76 -0.09 1.97 2.20 -1.25 -5.15 119.74 117.03 1tp8 s LYS 91 Ca -0.07 -1.67 0.04 0.00 -0.36 0.00 0.00 55.97 53.90 1tp8 s LYS 91 Cb 0.02 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1tp8 s LYS 91 CO 0.20 -0.71 -0.22 0.99 -0.36 0.00 0.00 175.35 175.26 1tp8 s THR 92 N -3.37 1.87 -0.30 3.43 2.01 -1.26 -0.92 115.64 117.09 1tp8 s THR 92 Ca 0.31 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 1tp8 s THR 92 Cb 0.01 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.93 1tp8 s THR 92 CO 0.18 0.52 0.02 -0.31 -0.69 0.00 0.00 174.62 174.34 1tp8 s TYR 93 N 0.40 3.23 -0.70 4.92 1.51 0.61 -5.01 117.35 122.30 1tp8 s TYR 93 Ca -0.18 -1.66 0.00 0.00 -1.01 0.00 0.00 57.07 54.22 1tp8 s TYR 93 Cb -0.18 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 1tp8 s TYR 93 CO 0.08 -0.76 0.00 0.41 -1.11 0.00 0.00 175.55 174.17 1tp8 n GLY 94 N 4.69 0.63 3.83 0.71 0.00 -1.26 -1.56 105.19 112.22 1tp8 n GLY 94 Ca -0.14 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.30 1tp8 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tp8 s PRO 95 N -0.66 3.26 -0.11 1.61 0.04 -1.26 -5.01 135.00 132.88 1tp8 s PRO 95 Ca 0.00 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.01 1tp8 s PRO 95 Cb 0.00 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1tp8 s PRO 95 CO 0.00 -0.84 -0.14 0.71 0.04 0.00 0.00 177.00 176.77 1tp8 s TYR 96 N -2.92 2.77 0.00 0.56 2.02 -0.61 -4.96 117.35 114.22 1tp8 s TYR 96 Ca 0.58 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1tp8 s TYR 96 Cb -0.13 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 1tp8 s TYR 96 CO 0.49 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.78 1tp8 n GLY 97 N 3.18 -0.65 3.62 0.71 0.00 -1.26 -1.56 105.19 109.23 1tp8 n GLY 97 Ca -0.18 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1tp8 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tp8 s VAL 98 N 0.00 5.07 -1.19 1.61 1.01 -0.53 -4.87 120.40 121.50 1tp8 s VAL 98 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 1tp8 s VAL 98 Cb 0.00 -3.35 0.19 0.00 0.00 0.00 0.00 36.38 33.22 1tp8 s VAL 98 CO 0.00 0.37 1.38 0.42 0.00 0.00 0.00 175.10 177.27 1tp8 s THR 99 N 0.95 5.21 -0.17 3.92 -4.23 -1.26 -3.83 115.64 116.23 1tp8 s THR 99 Ca 0.06 -2.78 -0.14 0.00 -1.18 0.00 0.00 61.69 57.65 1tp8 s THR 99 Cb -0.13 -4.86 0.05 0.00 1.34 0.00 0.00 72.50 68.90 1tp8 s THR 99 CO 0.03 -1.54 0.45 -0.55 -0.54 0.00 0.00 174.62 172.47 1tp8 s SER 100 N 2.56 -0.49 0.00 3.99 0.15 -1.26 -5.10 113.70 113.54 1tp8 s SER 100 Ca 0.41 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.97 1tp8 s SER 100 Cb -0.04 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1tp8 s SER 100 CO -0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1tp8 n GLY 101 N 3.16 0.12 3.46 9.45 0.00 -1.26 -4.51 105.19 115.62 1tp8 n GLY 101 Ca -0.15 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1tp8 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tp8 s THR 102 N -0.13 4.36 1.03 2.61 2.01 -0.62 -4.89 115.64 120.01 1tp8 s THR 102 Ca 0.00 -0.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 1tp8 s THR 102 Cb 0.00 -3.03 0.21 0.00 0.01 0.00 0.00 72.50 69.69 1tp8 s THR 102 CO 0.00 0.35 1.07 -2.16 -0.69 0.00 0.00 174.62 173.19 1tp8 s PRO 103 N 1.52 0.16 -0.11 4.92 0.04 -1.26 -1.75 135.00 138.51 1tp8 s PRO 103 Ca 0.06 0.86 -0.23 0.00 0.04 0.00 0.00 61.00 61.74 1tp8 s PRO 103 Cb -0.15 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.77 1tp8 s PRO 103 CO 0.04 -3.01 0.55 -0.59 0.04 0.00 0.00 177.00 174.03 1tp8 s PHE 104 N -2.71 -0.54 -0.07 0.56 -0.12 -0.43 -4.87 117.98 109.80 1tp8 s PHE 104 Ca 0.66 1.12 -0.14 0.00 -0.05 0.00 0.00 56.93 58.53 1tp8 s PHE 104 Cb -0.22 0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1tp8 s PHE 104 CO 0.60 -0.43 0.33 0.54 -0.05 0.00 0.00 175.22 176.21 1tp8 s ASN 105 N -0.57 -0.27 -0.44 1.98 4.22 -1.26 -2.05 114.94 116.55 1tp8 s ASN 105 Ca -0.07 0.38 0.04 0.00 -2.14 0.00 0.00 52.86 51.07 1tp8 s ASN 105 Cb -0.03 0.50 0.17 0.00 1.28 0.00 0.00 41.25 43.17 1tp8 s ASN 105 CO 0.05 -0.29 0.35 -0.22 -2.04 0.00 0.00 177.10 174.95 1tp8 s LEU 106 N -0.60 1.74 0.11 3.54 1.98 -0.30 -5.01 118.68 120.14 1tp8 s LEU 106 Ca -0.07 -3.11 -0.30 0.00 -2.89 0.00 0.00 54.13 47.76 1tp8 s LEU 106 Cb -0.04 -0.56 -0.06 0.00 0.66 0.00 0.00 46.19 46.19 1tp8 s LEU 106 CO 0.02 -0.17 1.09 -2.16 -1.89 0.00 0.00 176.35 173.25 1tp8 s PRO 107 N -0.05 4.56 -0.33 0.98 0.04 -1.26 -2.86 135.00 136.07 1tp8 s PRO 107 Ca 0.31 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 1tp8 s PRO 107 Cb 0.02 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.24 1tp8 s PRO 107 CO -0.19 -0.01 0.14 0.42 0.04 0.00 0.00 177.00 177.40 1tp8 s ILE 108 N 0.32 4.20 0.09 0.56 1.01 -0.43 -4.97 121.20 121.97 1tp8 s ILE 108 Ca 0.52 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 1tp8 s ILE 108 Cb -0.27 -3.27 -0.24 0.00 0.01 0.00 0.00 42.46 38.68 1tp8 s ILE 108 CO 0.32 -0.08 1.20 -0.08 0.00 0.00 0.00 174.94 176.29 1tp8 h GLU 109 N 8.31 0.52 -1.87 2.79 4.81 -1.96 -3.45 114.58 123.73 1tp8 h GLU 109 Ca -0.28 -0.64 -0.11 0.00 -0.13 0.00 0.00 59.36 58.20 1tp8 h GLU 109 Cb 1.11 0.20 -0.28 0.00 0.63 0.00 0.00 28.75 30.41 1tp8 h GLU 109 CO 0.62 1.26 -0.44 1.21 -0.73 0.00 0.00 179.01 180.93 1tp8 s ASN 110 N -7.25 -0.02 0.00 1.04 3.04 -1.26 -5.15 114.94 105.35 1tp8 s ASN 110 Ca -0.08 0.41 0.00 0.00 0.04 0.00 0.00 52.86 53.24 1tp8 s ASN 110 Cb 0.07 1.27 0.00 0.00 -1.54 0.00 0.00 41.25 41.06 1tp8 s ASN 110 CO 0.90 -0.29 0.00 0.61 -3.04 0.00 0.00 177.10 175.29 1tp8 n GLY 111 N 5.38 0.37 3.17 1.21 0.00 -1.26 -4.98 105.19 109.08 1tp8 n GLY 111 Ca -0.04 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 1tp8 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tp8 s LEU 112 N 0.00 2.40 -0.10 0.99 1.43 0.21 -4.96 118.68 118.65 1tp8 s LEU 112 Ca 0.00 -0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 52.08 1tp8 s LEU 112 Cb 0.00 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.89 1tp8 s LEU 112 CO 0.00 -0.26 0.68 -0.63 0.23 0.00 0.00 176.35 176.37 1tp8 s ILE 113 N -2.38 5.04 -0.06 -0.59 1.01 -1.26 -1.09 121.20 121.86 1tp8 s ILE 113 Ca 0.05 1.37 0.09 0.00 0.00 0.00 0.00 60.65 62.16 1tp8 s ILE 113 Cb -0.03 -4.01 0.14 0.00 0.01 0.00 0.00 42.46 38.57 1tp8 s ILE 113 CO -0.00 0.21 1.07 1.33 0.00 0.00 0.00 174.94 177.55 1tp8 n VAL 114 N 4.01 0.94 0.00 2.92 0.24 -0.27 -4.57 118.33 121.60 1tp8 n VAL 114 Ca -0.01 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.16 1tp8 n VAL 114 Cb 0.51 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1tp8 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tp8 n GLY 115 N -0.71 2.15 3.12 7.63 0.00 -1.25 -0.34 105.19 115.79 1tp8 n GLY 115 Ca 0.08 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 1tp8 n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tp8 s PHE 116 N -2.00 0.68 -0.07 1.61 0.08 -1.26 -1.10 117.98 115.92 1tp8 s PHE 116 Ca 0.00 -1.03 -0.30 0.00 0.12 0.00 0.00 56.93 55.72 1tp8 s PHE 116 Cb 0.00 -0.45 0.07 0.00 -0.57 0.00 0.00 43.02 42.07 1tp8 s PHE 116 CO 0.00 -0.31 0.67 -1.59 -0.10 0.00 0.00 175.22 173.89 1tp8 s LYS 117 N -3.90 1.03 0.00 0.44 -2.85 -0.97 -1.73 119.74 111.75 1tp8 s LYS 117 Ca 0.10 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.40 1tp8 s LYS 117 Cb 0.07 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 1tp8 s LYS 117 CO -0.07 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.49 1tp8 n GLY 118 N 1.11 1.67 3.52 0.59 0.00 -0.63 -0.31 105.19 111.14 1tp8 n GLY 118 Ca -0.19 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1tp8 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tp8 s SER 119 N 2.00 -0.63 -0.01 1.61 0.15 -0.92 -1.77 113.70 114.14 1tp8 s SER 119 Ca 0.00 0.99 0.01 0.00 0.70 0.00 0.00 55.95 57.64 1tp8 s SER 119 Cb 0.00 0.95 0.01 0.00 -1.71 0.00 0.00 66.02 65.27 1tp8 s SER 119 CO 0.00 -0.39 -0.02 -0.63 1.20 0.00 0.00 173.24 173.41 1tp8 s ILE 120 N -0.36 0.18 0.00 6.45 1.01 -0.98 -0.40 121.20 127.09 1tp8 s ILE 120 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1tp8 s ILE 120 Cb -0.03 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.24 1tp8 s ILE 120 CO 0.05 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1tp8 n GLY 121 N 3.40 2.18 0.16 6.18 0.00 -1.26 0.15 105.19 115.99 1tp8 n GLY 121 Ca -0.17 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1tp8 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1tp8 h TYR 122 N 0.00 -0.27 -1.73 1.61 -1.99 -1.95 -0.63 116.97 112.01 1tp8 h TYR 122 Ca 0.00 -0.01 -0.62 0.00 2.00 0.00 0.00 58.73 60.11 1tp8 h TYR 122 Cb 0.00 0.09 -0.12 0.00 2.00 0.00 0.00 36.73 38.70 1tp8 h TYR 122 CO 0.00 0.10 -0.60 -1.58 -0.00 0.00 0.00 178.16 176.08 1tp8 s TRP 123 N -4.32 2.51 -0.05 4.88 0.51 -1.26 -4.40 118.94 116.81 1tp8 s TRP 123 Ca -0.14 -0.61 -0.30 0.00 -2.12 0.00 0.00 56.10 52.94 1tp8 s TRP 123 Cb 0.02 -1.71 -0.06 0.00 -0.81 0.00 0.00 33.47 30.91 1tp8 s TRP 123 CO 0.55 0.44 1.78 1.41 -0.51 0.00 0.00 176.95 180.62 1tp8 s MET 124 N -3.72 4.08 0.07 4.98 -2.45 -0.40 -4.50 119.30 117.36 1tp8 s MET 124 Ca 0.35 2.27 -0.12 0.00 -1.25 0.00 0.00 55.69 56.94 1tp8 s MET 124 Cb 0.07 -4.07 -0.25 0.00 1.25 0.00 0.00 34.83 31.84 1tp8 s MET 124 CO 0.18 -0.98 1.16 -0.44 1.05 0.00 0.00 175.02 175.99 1tp8 h ASP 125 N 10.26 0.82 -5.43 1.11 3.32 -1.04 -1.53 116.42 123.92 1tp8 h ASP 125 Ca -0.42 -0.72 0.21 0.00 0.02 0.00 0.00 57.03 56.12 1tp8 h ASP 125 Cb 1.20 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 40.41 1tp8 h ASP 125 CO 0.95 1.53 0.56 -0.72 -1.72 0.00 0.00 179.24 179.84 1tp8 s TYR 126 N -3.09 -0.10 -0.03 4.55 -0.85 -1.24 -4.32 117.35 112.26 1tp8 s TYR 126 Ca -0.09 -0.16 -0.29 0.00 -0.52 0.00 0.00 57.07 56.01 1tp8 s TYR 126 Cb 0.06 0.62 0.11 0.00 0.38 0.00 0.00 41.96 43.13 1tp8 s TYR 126 CO 0.92 -0.71 0.90 -0.59 -1.52 0.00 0.00 175.55 174.55 1tp8 s PHE 127 N -3.06 -0.36 0.16 -3.49 -0.71 -1.26 -2.16 117.98 107.10 1tp8 s PHE 127 Ca 0.13 0.31 0.02 0.00 -1.04 0.00 0.00 56.93 56.36 1tp8 s PHE 127 Cb -0.00 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.28 1tp8 s PHE 127 CO 0.01 -0.51 -0.03 -1.12 -1.34 0.00 0.00 175.22 172.23 1tp8 s SER 128 N -2.20 1.36 0.09 1.98 0.01 0.58 -4.98 113.70 110.55 1tp8 s SER 128 Ca 0.03 -1.12 0.08 0.00 1.31 0.00 0.00 55.95 56.26 1tp8 s SER 128 Cb -0.01 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1tp8 s SER 128 CO -0.07 -0.50 -0.21 -0.04 0.41 0.00 0.00 173.24 172.84 1tp8 s MET 129 N -3.86 1.15 -0.14 12.44 -1.94 -1.26 -2.29 119.30 123.38 1tp8 s MET 129 Ca 0.21 -1.13 -0.16 0.00 -1.71 0.00 0.00 55.69 52.90 1tp8 s MET 129 Cb 0.05 -1.39 -0.04 0.00 2.01 0.00 0.00 34.83 35.46 1tp8 s MET 129 CO 0.02 0.33 0.37 0.71 -0.01 0.00 0.00 175.02 176.44 1tp8 s TYR 130 N -1.12 3.48 0.02 -0.03 1.51 -0.26 -4.98 117.35 115.98 1tp8 s TYR 130 Ca 0.06 0.72 0.07 0.00 -1.01 0.00 0.00 57.07 56.91 1tp8 s TYR 130 Cb -0.10 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.30 1tp8 s TYR 130 CO 0.04 0.22 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.98 1tp8 s LEU 131 N 0.51 2.46 0.24 -1.29 1.02 -1.26 -1.12 118.68 119.24 1tp8 s LEU 131 Ca 0.20 -0.43 -0.18 0.00 0.02 0.00 0.00 54.13 53.74 1tp8 s LEU 131 Cb -0.14 -1.45 0.02 0.00 0.02 0.00 0.00 46.19 44.64 1tp8 s LEU 131 CO 0.06 0.28 0.59 -0.55 0.02 0.00 0.00 176.35 176.75 1tp8 s SER 132 N -1.19 -0.24 0.00 2.29 0.15 -0.25 -4.94 113.70 109.51 1tp8 s SER 132 Ca 0.13 -0.59 0.28 0.00 0.70 0.00 0.00 55.95 56.46 1tp8 s SER 132 Cb -0.10 0.64 0.97 0.00 -1.71 0.00 0.00 66.02 65.81 1tp8 s SER 132 CO 0.03 -1.18 1.70 0.18 1.20 0.00 0.00 173.24 175.17