#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 3.50 0.44 1.61 2.47 0.31 -4.79 119.74 123.27 1tp8 s LYS 2 Ca 0.00 -0.52 -0.24 0.00 -1.56 0.00 0.00 55.97 53.65 1tp8 s LYS 2 Cb 0.00 -3.82 -0.08 0.00 -1.46 0.00 0.00 37.83 32.47 1tp8 s LYS 2 CO 0.00 -0.53 1.18 0.00 0.16 0.00 0.00 175.35 176.16 1tp8 s ALA 3 N 1.94 3.05 0.12 3.13 0.00 -1.26 -2.57 121.76 126.18 1tp8 s ALA 3 Ca 0.10 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 1tp8 s ALA 3 Cb -0.17 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1tp8 s ALA 3 CO 0.11 -0.65 0.02 -0.59 0.00 0.00 0.00 175.76 174.65 1tp8 s PHE 4 N -1.47 0.89 -0.27 0.00 -0.71 0.57 -4.96 117.98 112.04 1tp8 s PHE 4 Ca 0.61 -1.13 -0.01 0.00 -1.04 0.00 0.00 56.93 55.36 1tp8 s PHE 4 Cb -0.30 -0.52 0.16 0.00 -1.21 0.00 0.00 43.02 41.14 1tp8 s PHE 4 CO 0.38 -0.39 0.46 0.34 -1.34 0.00 0.00 175.22 174.66 1tp8 s ASP 5 N -3.06 -0.33 0.04 1.98 -1.08 -1.26 -1.88 116.67 111.08 1tp8 s ASP 5 Ca 0.20 0.38 -0.18 0.00 -0.52 0.00 0.00 52.55 52.43 1tp8 s ASP 5 Cb 0.07 1.48 -0.18 0.00 -1.46 0.00 0.00 42.92 42.83 1tp8 s ASP 5 CO -0.00 -0.29 1.23 0.44 0.52 0.00 0.00 175.17 177.07 1tp8 h ASP 6 N 8.12 0.62 -5.00 -0.34 3.32 -1.69 -3.49 116.42 117.95 1tp8 h ASP 6 Ca -0.19 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1tp8 h ASP 6 Cb 1.15 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1tp8 h ASP 6 CO 0.26 1.16 0.00 0.61 -1.72 0.00 0.00 179.24 179.55 1tp8 n GLY 7 N 0.69 -1.22 3.73 2.75 0.00 -1.26 -4.98 105.19 104.90 1tp8 n GLY 7 Ca -0.08 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.92 3.42 0.00 4.61 0.00 -1.26 -4.09 121.76 122.52 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 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1tp8 s ALA 8 CO 0.00 0.67 0.00 1.19 0.00 0.00 0.00 175.76 177.62 1tp8 n PHE 9 N 1.28 0.00 0.32 0.00 3.01 0.23 -5.00 117.46 117.29 1tp8 n PHE 9 Ca -0.14 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.36 1tp8 n PHE 9 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 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 0.00 -1.99 4.37 -2.24 -0.76 -4.89 114.28 108.77 1tp8 n THR 10 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1tp8 n THR 10 Cb 0.00 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.74 -1.37 2.93 3.38 0.00 -1.16 -4.92 105.19 104.79 1tp8 n GLY 11 Ca 0.03 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.62 0.59 -0.15 -0.61 1.01 -1.26 -1.65 121.20 116.51 1tp8 s ILE 12 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 1tp8 s ILE 12 Cb 0.00 -0.58 -0.08 0.00 0.01 0.00 0.00 42.46 41.82 1tp8 s ILE 12 CO 0.00 0.22 -0.17 0.54 0.00 0.00 0.00 174.94 175.53 1tp8 n ARG 13 N 3.77 0.34 -3.78 2.79 1.74 -0.36 -4.82 116.66 116.34 1tp8 n ARG 13 Ca -0.23 0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.85 1tp8 n ARG 13 Cb 0.52 -1.13 -0.12 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.28 0.24 -0.13 5.56 2.12 -0.78 -1.28 118.70 122.15 1tp8 s GLU 14 Ca -0.21 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 1tp8 s GLU 14 Cb 0.07 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 1tp8 s GLU 14 CO 0.29 -0.07 -0.13 0.42 -0.54 0.00 0.00 175.26 175.23 1tp8 s ILE 15 N 0.42 3.04 -0.16 -3.70 1.01 -0.31 0.50 121.20 122.00 1tp8 s ILE 15 Ca -0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1tp8 s ILE 15 Cb -0.04 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1tp8 s ILE 15 CO -0.02 0.52 -0.15 0.20 0.00 0.00 0.00 174.94 175.49 1tp8 s ASN 16 N 0.39 2.85 0.16 3.58 0.01 0.10 -0.09 114.94 121.95 1tp8 s ASN 16 Ca -0.10 -0.56 -0.00 0.00 -0.71 0.00 0.00 52.86 51.48 1tp8 s ASN 16 Cb -0.16 -1.26 -0.04 0.00 0.41 0.00 0.00 41.25 40.20 1tp8 s ASN 16 CO 0.05 -0.05 0.07 -1.48 -1.51 0.00 0.00 177.10 174.18 1tp8 s LEU 17 N 1.43 1.68 0.09 0.60 0.05 -0.64 -0.98 118.68 120.91 1tp8 s LEU 17 Ca 0.04 -1.26 0.06 0.00 0.05 0.00 0.00 54.13 53.02 1tp8 s LEU 17 Cb -0.13 0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 44.21 1tp8 s LEU 17 CO -0.11 -0.73 -0.15 -0.94 -0.55 0.00 0.00 176.35 173.87 1tp8 s SER 18 N -3.12 1.89 0.27 1.48 1.04 -0.57 -0.38 113.70 114.32 1tp8 s SER 18 Ca 0.28 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1tp8 s SER 18 Cb 0.07 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1tp8 s SER 18 CO 0.05 -0.08 0.22 -0.72 0.98 0.00 0.00 173.24 173.69 1tp8 s TYR 19 N -1.50 1.47 -0.03 5.02 1.13 -0.35 -0.12 117.35 122.97 1tp8 s TYR 19 Ca 0.02 -1.53 0.01 0.00 -1.41 0.00 0.00 57.07 54.16 1tp8 s TYR 19 Cb -0.09 -0.63 0.02 0.00 -1.10 0.00 0.00 41.96 40.17 1tp8 s TYR 19 CO 0.03 -0.77 -0.02 1.21 -2.51 0.00 0.00 175.55 173.49 1tp8 s ASN 20 N -3.27 0.62 0.38 -0.18 3.84 -0.95 0.14 114.94 115.51 1tp8 s ASN 20 Ca 0.40 -0.07 0.28 0.00 0.21 0.00 0.00 52.86 53.68 1tp8 s ASN 20 Cb 0.04 -0.31 1.22 0.00 -0.55 0.00 0.00 41.25 41.66 1tp8 s ASN 20 CO 0.20 -0.08 1.83 0.50 -2.79 0.00 0.00 177.10 176.77 1tp8 h LYS 21 N 7.20 0.00 0.00 0.43 3.64 -1.92 -3.05 116.57 122.87 1tp8 h LYS 21 Ca -0.41 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.61 1tp8 h LYS 21 Cb 1.14 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1tp8 h LYS 21 CO 0.48 0.00 -2.36 0.39 -2.27 0.00 0.00 179.45 175.68 1tp8 n GLU 22 N -2.54 0.73 0.00 1.90 1.02 -1.26 -4.58 120.64 115.91 1tp8 n GLU 22 Ca 0.01 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1tp8 n GLU 22 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.97 0.00 -1.10 2.62 -2.24 -1.16 -4.96 114.28 104.47 1tp8 n THR 23 Ca -0.38 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1tp8 n THR 23 Cb 1.05 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.35 0.00 -2.85 6.98 0.00 -1.22 -4.60 120.51 116.46 1tp8 n ALA 24 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1tp8 n ALA 24 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.93 5.49 0.00 0.00 -1.09 -1.10 -2.25 121.20 121.32 1tp8 s ILE 25 Ca 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1tp8 s ILE 25 Cb 0.00 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1tp8 s ILE 25 CO 0.00 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1tp8 n GLY 26 N 2.28 0.47 3.77 6.18 0.00 0.83 -0.30 105.19 118.42 1tp8 n GLY 26 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.11 5.35 -0.12 1.61 1.01 -1.25 -4.39 116.67 118.78 1tp8 s ASP 27 Ca 0.00 2.16 -0.06 0.00 0.71 0.00 0.00 52.55 55.36 1tp8 s ASP 27 Cb 0.00 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.41 1tp8 s ASP 27 CO 0.00 -1.47 0.28 0.12 0.21 0.00 0.00 175.17 174.32 1tp8 s PHE 28 N -1.95 -0.40 -0.23 4.23 5.36 -0.49 -1.52 117.98 122.98 1tp8 s PHE 28 Ca 0.72 0.91 -0.20 0.00 -0.96 0.00 0.00 56.93 57.40 1tp8 s PHE 28 Cb -0.24 0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.60 1tp8 s PHE 28 CO 0.34 -0.27 0.61 -1.14 -1.46 0.00 0.00 175.22 173.30 1tp8 s GLN 29 N 1.39 0.69 -0.01 10.12 -0.44 -0.15 -1.84 119.66 129.41 1tp8 s GLN 29 Ca -0.09 0.91 0.02 0.00 -2.50 0.00 0.00 55.36 53.71 1tp8 s GLN 29 Cb -0.10 0.29 -0.00 0.00 -1.64 0.00 0.00 33.01 31.55 1tp8 s GLN 29 CO -0.09 -0.10 -0.08 0.54 0.50 0.00 0.00 175.29 176.05 1tp8 s VAL 30 N 0.63 0.68 -0.31 1.34 0.11 -1.26 0.01 120.40 121.58 1tp8 s VAL 30 Ca -0.02 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 58.52 1tp8 s VAL 30 Cb -0.05 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1tp8 s VAL 30 CO -0.04 0.20 0.44 -0.69 -3.33 0.00 0.00 175.10 171.68 1tp8 s VAL 31 N -0.01 5.10 0.33 2.04 1.01 0.18 -2.19 120.40 126.86 1tp8 s VAL 31 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1tp8 s VAL 31 Cb -0.05 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1tp8 s VAL 31 CO -0.00 -0.04 0.47 -0.31 0.00 0.00 0.00 175.10 175.21 1tp8 s TYR 32 N 2.20 3.13 -0.17 5.22 2.02 0.11 -1.22 117.35 128.64 1tp8 s TYR 32 Ca 0.16 -0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 1tp8 s TYR 32 Cb -0.16 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1tp8 s TYR 32 CO 0.11 0.01 0.27 0.34 -1.57 0.00 0.00 175.55 174.71 1tp8 s ASP 33 N -4.16 6.39 -0.56 2.29 2.15 -0.66 0.26 116.67 122.38 1tp8 s ASP 33 Ca 0.45 0.46 0.04 0.00 0.43 0.00 0.00 52.55 53.92 1tp8 s ASP 33 Cb -0.10 -2.17 0.14 0.00 -0.30 0.00 0.00 42.92 40.50 1tp8 s ASP 33 CO 0.31 0.10 0.33 -0.22 -0.17 0.00 0.00 175.17 175.52 1tp8 s LEU 34 N 0.54 4.14 -1.07 -1.34 2.96 0.29 -1.83 118.68 122.36 1tp8 s LEU 34 Ca 0.15 -3.21 -0.03 0.00 -0.22 0.00 0.00 54.13 50.82 1tp8 s LEU 34 Cb -0.13 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1tp8 s LEU 34 CO 0.03 -0.19 0.91 0.59 -1.32 0.00 0.00 176.35 176.37 1tp8 n ASN 35 N 2.82 -3.40 0.00 3.68 5.03 -1.26 -2.78 115.26 119.36 1tp8 n ASN 35 Ca 0.11 -0.50 0.00 0.00 0.87 0.00 0.00 54.58 55.06 1tp8 n ASN 35 Cb 0.34 -4.40 0.00 0.00 -1.02 0.00 0.00 39.78 34.69 1tp8 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tp8 n GLY 36 N -1.36 0.80 3.17 7.41 0.00 -1.26 -5.04 105.19 108.90 1tp8 n GLY 36 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.00 1.82 0.64 1.61 0.01 -1.12 -5.12 113.70 108.54 1tp8 s SER 37 Ca 0.00 -0.51 -0.18 0.00 1.31 0.00 0.00 55.95 56.57 1tp8 s SER 37 Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1tp8 s SER 37 CO 0.00 0.03 1.26 -2.84 0.41 0.00 0.00 173.24 172.10 1tp8 s PRO 38 N -1.30 2.64 -0.09 12.44 0.02 -1.26 0.10 135.00 147.56 1tp8 s PRO 38 Ca 0.02 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 62.96 1tp8 s PRO 38 Cb -0.08 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.61 1tp8 s PRO 38 CO 0.02 -1.50 0.12 -0.47 -0.33 0.00 0.00 177.00 174.85 1tp8 s TYR 39 N -1.52 -0.06 -0.46 6.54 5.04 0.14 -4.65 117.35 122.37 1tp8 s TYR 39 Ca 0.80 0.35 -0.25 0.00 -2.44 0.00 0.00 57.07 55.53 1tp8 s TYR 39 Cb -0.34 -0.39 0.03 0.00 0.35 0.00 0.00 41.96 41.60 1tp8 s TYR 39 CO 0.38 -0.31 0.90 0.08 -1.34 0.00 0.00 175.55 175.27 1tp8 s VAL 40 N 2.24 4.50 0.70 3.14 1.01 -1.26 0.05 120.40 130.77 1tp8 s VAL 40 Ca 0.04 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 1tp8 s VAL 40 Cb -0.13 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.84 1tp8 s VAL 40 CO -0.06 -0.83 1.06 -0.83 0.00 0.00 0.00 175.10 174.45 1tp8 s GLY 41 N 2.26 1.71 0.87 4.51 0.00 -0.93 -4.99 107.32 110.75 1tp8 s GLY 41 Ca 0.36 0.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.10 1tp8 s GLY 41 CO 0.26 0.45 1.13 -0.18 0.00 0.00 0.00 173.10 174.76 1tp8 n GLN 42 N -3.09 -0.18 -3.76 2.90 7.27 -1.26 -4.71 117.38 114.56 1tp8 n GLN 42 Ca 0.08 0.02 -0.37 0.00 0.07 0.00 0.00 57.00 56.80 1tp8 n GLN 42 Cb 0.53 -2.38 -0.12 0.00 2.41 0.00 0.00 30.24 30.69 1tp8 n GLN 42 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1tp8 s ASN 43 N -2.38 5.24 -0.82 1.69 3.04 -1.26 -4.50 114.94 115.95 1tp8 s ASN 43 Ca 0.69 -0.17 -0.16 0.00 0.04 0.00 0.00 52.86 53.26 1tp8 s ASN 43 Cb -0.26 -1.94 0.17 0.00 -1.54 0.00 0.00 41.25 37.68 1tp8 s ASN 43 CO 0.55 -0.03 0.86 -1.00 -3.04 0.00 0.00 177.10 174.45 1tp8 s HIS 44 N 1.56 3.45 0.32 0.43 3.76 -0.77 -5.01 115.29 119.03 1tp8 s HIS 44 Ca 0.06 -1.65 -0.08 0.00 -0.15 0.00 0.00 55.06 53.24 1tp8 s HIS 44 Cb -0.15 -3.99 -0.06 0.00 1.11 0.00 0.00 32.58 29.49 1tp8 s HIS 44 CO 0.04 -1.19 0.64 -1.54 -0.85 0.00 0.00 174.74 171.85 1tp8 s SER 45 N 2.87 6.52 0.52 1.40 1.04 -1.26 -1.39 113.70 123.38 1tp8 s SER 45 Ca 0.21 0.93 -0.17 0.00 0.48 0.00 0.00 55.95 57.40 1tp8 s SER 45 Cb -0.11 -2.23 -0.08 0.00 0.10 0.00 0.00 66.02 63.70 1tp8 s SER 45 CO -0.07 -0.25 0.99 -0.55 0.98 0.00 0.00 173.24 174.34 1tp8 s SER 46 N -3.00 6.58 0.35 7.02 0.15 -1.26 -4.89 113.70 118.65 1tp8 s SER 46 Ca 0.48 1.59 0.27 0.00 0.70 0.00 0.00 55.95 58.98 1tp8 s SER 46 Cb -0.11 -2.51 1.14 0.00 -1.71 0.00 0.00 66.02 62.83 1tp8 s SER 46 CO 0.28 -0.62 1.80 -0.26 1.20 0.00 0.00 173.24 175.64 1tp8 h PHE 47 N 0.90 0.00 -3.93 3.44 -1.00 -1.45 -3.45 116.94 111.45 1tp8 h PHE 47 Ca -0.47 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.09 1tp8 h PHE 47 Cb 1.19 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.70 1tp8 h PHE 47 CO 0.63 0.00 -0.17 0.44 -1.61 0.00 0.00 178.31 177.60 1tp8 n ILE 48 N -2.49 0.00 -4.51 -0.55 -5.35 -1.26 -5.01 119.36 100.19 1tp8 n ILE 48 Ca 0.01 -0.87 -0.24 0.00 -0.27 0.00 0.00 62.75 61.38 1tp8 n ILE 48 Cb 0.23 0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 38.34 1tp8 n ILE 48 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1tp8 n SER 49 N -1.59 2.18 0.00 7.28 7.64 -1.26 -4.92 113.62 122.95 1tp8 n SER 49 Ca -0.04 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1tp8 n SER 49 Cb 0.23 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1tp8 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tp8 n GLY 50 N -0.05 1.07 3.96 0.23 0.00 -1.26 -5.11 105.19 104.03 1tp8 n GLY 50 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 3.01 -0.20 1.61 0.08 -1.26 -4.84 117.98 114.38 1tp8 s PHE 51 Ca 0.00 0.13 -0.07 0.00 0.12 0.00 0.00 56.93 57.11 1tp8 s PHE 51 Cb 0.00 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 1tp8 s PHE 51 CO 0.00 -0.72 0.07 0.99 -0.10 0.00 0.00 175.22 175.46 1tp8 s THR 52 N -2.73 4.66 0.29 0.64 2.01 0.37 -4.82 115.64 116.06 1tp8 s THR 52 Ca 0.54 -0.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.19 1tp8 s THR 52 Cb -0.10 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 1tp8 s THR 52 CO 0.39 0.42 0.99 -2.16 -0.69 0.00 0.00 174.62 173.57 1tp8 s PRO 53 N 0.75 4.66 -0.03 4.92 0.04 -1.26 -1.21 135.00 142.86 1tp8 s PRO 53 Ca 0.03 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1tp8 s PRO 53 Cb -0.13 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1tp8 s PRO 53 CO 0.02 0.31 -0.10 0.08 0.04 0.00 0.00 177.00 177.35 1tp8 s VAL 54 N -1.34 0.88 -0.15 -0.36 1.01 0.49 -4.97 120.40 115.96 1tp8 s VAL 54 Ca 0.46 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1tp8 s VAL 54 Cb -0.25 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1tp8 s VAL 54 CO 0.31 0.27 -0.20 -0.75 0.00 0.00 0.00 175.10 174.73 1tp8 s LYS 55 N 0.19 3.06 -0.32 2.72 2.20 -1.26 -1.62 119.74 124.70 1tp8 s LYS 55 Ca -0.03 -0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 54.71 1tp8 s LYS 55 Cb -0.09 -2.49 0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1tp8 s LYS 55 CO 0.01 -0.03 0.05 0.42 -0.36 0.00 0.00 175.35 175.43 1tp8 s ILE 56 N 0.87 3.23 -0.34 5.43 1.01 0.87 -5.02 121.20 127.25 1tp8 s ILE 56 Ca -0.05 -1.38 -0.05 0.00 0.00 0.00 0.00 60.65 59.17 1tp8 s ILE 56 Cb -0.15 -2.88 0.05 0.00 0.01 0.00 0.00 42.46 39.49 1tp8 s ILE 56 CO -0.03 -0.18 0.10 -0.44 0.00 0.00 0.00 174.94 174.40 1tp8 s SER 57 N 1.35 5.23 0.44 3.58 0.01 -1.26 -1.16 113.70 121.89 1tp8 s SER 57 Ca -0.03 -1.32 -0.21 0.00 1.31 0.00 0.00 55.95 55.70 1tp8 s SER 57 Cb -0.20 -1.83 -0.10 0.00 0.21 0.00 0.00 66.02 64.09 1tp8 s SER 57 CO -0.00 -0.36 0.97 -0.76 0.41 0.00 0.00 173.24 173.50 1tp8 s LEU 58 N 1.33 3.90 -1.27 2.44 2.01 -0.40 -4.97 118.68 121.72 1tp8 s LEU 58 Ca -0.01 1.72 -0.11 0.00 0.01 0.00 0.00 54.13 55.74 1tp8 s LEU 58 Cb -0.20 -4.54 0.16 0.00 0.01 0.00 0.00 46.19 41.62 1tp8 s LEU 58 CO 0.01 -0.44 1.78 -0.67 1.01 0.00 0.00 176.35 178.03 1tp8 n ASP 59 N -0.76 5.06 -4.76 2.29 2.03 -1.26 -4.87 116.55 114.29 1tp8 n ASP 59 Ca 0.07 -3.06 -0.40 0.00 0.52 0.00 0.00 54.79 51.92 1tp8 n ASP 59 Cb 0.54 -1.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.37 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 0.92 3.65 -2.56 -0.67 2.19 -1.26 0.48 117.98 120.72 1tp8 s PHE 60 Ca 0.41 1.74 0.24 0.00 0.33 0.00 0.00 56.93 59.66 1tp8 s PHE 60 Cb 0.06 -3.21 0.66 0.00 -1.31 0.00 0.00 43.02 39.23 1tp8 s PHE 60 CO 0.00 -0.33 1.52 -0.35 1.83 0.00 0.00 175.22 177.89 1tp8 n PRO 61 N 1.16 1.98 0.21 10.12 -0.04 -1.26 -4.87 135.00 142.31 1tp8 n PRO 61 Ca -0.01 -1.45 0.08 0.00 -0.04 0.00 0.00 63.50 62.08 1tp8 n PRO 61 Cb 0.46 -1.46 0.45 0.00 -0.04 0.00 0.00 33.50 32.91 1tp8 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tp8 h SER 62 N 3.24 0.00 -3.41 3.54 4.64 -1.76 -3.41 113.55 116.39 1tp8 h SER 62 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1tp8 h SER 62 Cb 0.70 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.57 1tp8 h SER 62 CO 0.00 0.29 -0.70 -0.70 -0.87 0.00 0.00 176.83 174.85 1tp8 s GLU 63 N -3.83 3.35 0.02 4.77 2.12 0.18 -4.99 118.70 120.31 1tp8 s GLU 63 Ca -0.01 -0.56 -0.13 0.00 0.36 0.00 0.00 54.97 54.62 1tp8 s GLU 63 Cb 0.12 -2.76 0.02 0.00 0.26 0.00 0.00 34.13 31.77 1tp8 s GLU 63 CO 0.66 0.35 0.29 1.52 -0.54 0.00 0.00 175.26 177.54 1tp8 s TYR 64 N 0.03 -0.11 0.20 5.30 -0.85 -1.26 -4.11 117.35 116.54 1tp8 s TYR 64 Ca -0.01 0.06 -0.31 0.00 -0.52 0.00 0.00 57.07 56.28 1tp8 s TYR 64 Cb -0.14 0.08 -0.10 0.00 0.38 0.00 0.00 41.96 42.18 1tp8 s TYR 64 CO 0.03 -0.44 1.54 0.42 -1.52 0.00 0.00 175.55 175.58 1tp8 s ILE 65 N -2.02 2.58 -0.15 -3.49 1.01 -1.26 -2.61 121.20 115.25 1tp8 s ILE 65 Ca -0.09 0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.04 1tp8 s ILE 65 Cb -0.03 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1tp8 s ILE 65 CO -0.00 0.05 0.15 0.35 0.00 0.00 0.00 174.94 175.49 1tp8 n THR 66 N 3.37 0.00 -3.66 2.92 -2.24 -0.11 -4.77 114.28 109.79 1tp8 n THR 66 Ca 0.11 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1tp8 n THR 66 Cb 0.39 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.61 0.66 -0.10 -0.78 2.12 -1.01 -1.22 118.70 116.76 1tp8 s GLU 67 Ca 0.01 0.98 0.04 0.00 0.36 0.00 0.00 54.97 56.36 1tp8 s GLU 67 Cb 0.03 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1tp8 s GLU 67 CO 0.17 -0.12 -0.24 0.08 -0.54 0.00 0.00 175.26 174.61 1tp8 s VAL 68 N 0.97 2.03 0.14 3.70 1.01 -1.04 -1.25 120.40 125.95 1tp8 s VAL 68 Ca -0.05 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1tp8 s VAL 68 Cb -0.05 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 1tp8 s VAL 68 CO -0.09 0.55 0.26 -0.94 0.00 0.00 0.00 175.10 174.89 1tp8 s SER 69 N 0.37 0.05 0.00 3.32 1.04 -0.75 -0.45 113.70 117.28 1tp8 s SER 69 Ca -0.18 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1tp8 s SER 69 Cb -0.18 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1tp8 s SER 69 CO 0.08 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1tp8 n GLY 70 N -0.17 1.81 2.89 7.32 0.00 -0.33 0.29 105.19 117.00 1tp8 n GLY 70 Ca -0.10 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.96 0.30 -0.03 1.61 2.02 -1.19 -1.82 117.35 115.29 1tp8 s TYR 71 Ca 0.00 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 1tp8 s TYR 71 Cb 0.00 -0.26 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1tp8 s TYR 71 CO 0.00 -0.05 -0.13 0.95 -1.57 0.00 0.00 175.55 174.75 1tp8 s THR 72 N 0.27 3.13 0.32 -0.71 -4.23 0.15 0.78 115.64 115.35 1tp8 s THR 72 Ca -0.02 -0.80 -0.16 0.00 -1.18 0.00 0.00 61.69 59.53 1tp8 s THR 72 Cb -0.05 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.55 1tp8 s THR 72 CO -0.01 0.52 0.68 -0.83 -0.54 0.00 0.00 174.62 174.45 1tp8 s GLY 73 N -0.96 0.34 -0.28 3.99 0.00 -0.06 -1.07 107.32 109.29 1tp8 s GLY 73 Ca 0.13 -0.69 -0.20 0.00 0.00 0.00 0.00 44.72 43.96 1tp8 s GLY 73 CO 0.02 -0.35 0.61 0.21 0.00 0.00 0.00 173.10 173.59 1tp8 s ASN 74 N -3.02 6.52 -0.10 1.64 3.84 -1.26 -1.08 114.94 121.47 1tp8 s ASN 74 Ca 0.16 0.57 0.01 0.00 0.21 0.00 0.00 52.86 53.81 1tp8 s ASN 74 Cb -0.04 -2.32 0.02 0.00 -0.55 0.00 0.00 41.25 38.35 1tp8 s ASN 74 CO 0.10 -0.40 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.22 1tp8 s VAL 75 N 2.51 1.15 -1.53 -5.21 1.01 -0.11 -4.79 120.40 113.42 1tp8 s VAL 75 Ca 0.25 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 1tp8 s VAL 75 Cb -0.15 -1.11 0.07 0.00 0.00 0.00 0.00 36.38 35.19 1tp8 s VAL 75 CO 0.10 0.38 0.64 -0.24 0.00 0.00 0.00 175.10 175.97 1tp8 n SER 76 N 4.54 -2.04 0.00 3.32 2.88 -1.26 -1.16 113.62 119.90 1tp8 n SER 76 Ca -0.17 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1tp8 n SER 76 Cb 0.51 -3.07 0.00 0.00 -0.75 0.00 0.00 64.21 60.89 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 -1.72 0.48 3.61 0.46 0.00 -1.26 -5.02 105.19 101.74 1tp8 n GLY 77 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.23 2.82 -0.24 1.61 2.02 -0.31 -5.10 117.35 115.92 1tp8 s TYR 78 Ca 0.00 -0.11 -0.14 0.00 -0.37 0.00 0.00 57.07 56.45 1tp8 s TYR 78 Cb 0.00 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1tp8 s TYR 78 CO 0.00 0.44 0.31 0.08 -1.57 0.00 0.00 175.55 174.81 1tp8 s VAL 79 N -1.24 5.24 0.17 0.71 1.01 -1.26 -0.94 120.40 124.10 1tp8 s VAL 79 Ca 0.23 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1tp8 s VAL 79 Cb -0.11 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1tp8 s VAL 79 CO 0.15 0.25 0.04 0.68 0.00 0.00 0.00 175.10 176.22 1tp8 s VAL 80 N 1.52 0.41 -0.41 2.92 -7.23 -0.24 -4.72 120.40 112.65 1tp8 s VAL 80 Ca 0.14 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 58.10 1tp8 s VAL 80 Cb -0.15 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.61 1tp8 s VAL 80 CO 0.08 -0.36 0.87 -0.69 -0.31 0.00 0.00 175.10 174.68 1tp8 s VAL 81 N -3.84 4.60 -0.10 1.32 1.01 -0.09 -0.88 120.40 122.41 1tp8 s VAL 81 Ca 0.27 0.85 0.16 0.00 0.00 0.00 0.00 61.98 63.26 1tp8 s VAL 81 Cb 0.07 -4.33 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 1tp8 s VAL 81 CO 0.05 -0.63 0.79 0.03 0.00 0.00 0.00 175.10 175.35 1tp8 h ARG 82 N 8.74 0.00 -4.56 2.72 3.08 0.08 -2.91 114.38 121.53 1tp8 h ARG 82 Ca -0.24 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.58 1tp8 h ARG 82 Cb 1.08 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.98 1tp8 h ARG 82 CO 0.97 0.34 -0.63 0.45 -1.07 0.00 0.00 179.97 180.04 1tp8 s SER 83 N -5.87 0.20 -0.27 7.04 0.15 -1.02 -1.20 113.70 112.73 1tp8 s SER 83 Ca -0.03 -1.36 -0.19 0.00 0.70 0.00 0.00 55.95 55.08 1tp8 s SER 83 Cb 0.08 0.36 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1tp8 s SER 83 CO 0.81 -0.82 0.68 -0.22 1.20 0.00 0.00 173.24 174.89 1tp8 s LEU 84 N -3.14 -0.79 -0.04 3.45 2.96 -0.80 -3.19 118.68 117.14 1tp8 s LEU 84 Ca 0.36 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.73 1tp8 s LEU 84 Cb 0.07 2.33 0.01 0.00 0.50 0.00 0.00 46.19 49.10 1tp8 s LEU 84 CO 0.10 -0.24 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.92 1tp8 s THR 85 N 1.14 0.76 -0.22 3.68 2.01 0.14 -1.68 115.64 121.48 1tp8 s THR 85 Ca -0.06 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1tp8 s THR 85 Cb -0.05 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.78 1tp8 s THR 85 CO -0.12 0.25 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.59 1tp8 s PHE 86 N 0.47 2.95 -0.13 4.92 0.08 0.46 -1.80 117.98 124.93 1tp8 s PHE 86 Ca -0.08 -1.56 -0.02 0.00 0.12 0.00 0.00 56.93 55.40 1tp8 s PHE 86 Cb -0.11 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1tp8 s PHE 86 CO 0.01 -0.74 -0.05 0.21 -0.10 0.00 0.00 175.22 174.54 1tp8 s LYS 87 N 1.32 3.43 0.29 0.44 2.20 -0.38 0.42 119.74 127.44 1tp8 s LYS 87 Ca 0.02 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1tp8 s LYS 87 Cb -0.15 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 1tp8 s LYS 87 CO -0.08 0.35 0.13 0.25 -0.36 0.00 0.00 175.35 175.64 1tp8 n THR 88 N 3.19 0.00 0.43 3.43 -2.24 0.35 -0.93 114.28 118.51 1tp8 n THR 88 Ca -0.18 -1.22 0.06 0.00 -2.27 0.00 0.00 64.05 60.45 1tp8 n THR 88 Cb 0.53 -0.04 0.28 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.61 0.03 -0.05 3.42 6.94 -1.07 -3.58 115.26 119.34 1tp8 n ASN 89 Ca -0.05 0.51 -0.09 0.00 -0.02 0.00 0.00 54.58 54.93 1tp8 n ASN 89 Cb 0.34 -0.52 -0.04 0.00 -2.36 0.00 0.00 39.78 37.20 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 -1.54 0.23 -4.06 -3.83 5.02 -1.26 -5.07 118.16 107.65 1tp8 n LYS 90 Ca 0.03 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 1tp8 n LYS 90 Cb 0.15 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.19 1.53 -0.12 1.97 2.20 -1.23 -5.16 119.74 116.74 1tp8 s LYS 91 Ca -0.14 -1.43 -0.03 0.00 -0.36 0.00 0.00 55.97 54.02 1tp8 s LYS 91 Cb 0.04 0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 36.75 1tp8 s LYS 91 CO 0.20 -0.61 -0.02 0.99 -0.36 0.00 0.00 175.35 175.55 1tp8 s THR 92 N -3.88 4.09 -0.34 3.43 2.01 -1.26 -0.50 115.64 119.19 1tp8 s THR 92 Ca 0.28 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1tp8 s THR 92 Cb 0.01 -2.75 0.08 0.00 0.01 0.00 0.00 72.50 69.85 1tp8 s THR 92 CO 0.12 0.55 0.07 -0.31 -0.69 0.00 0.00 174.62 174.36 1tp8 s TYR 93 N -0.30 3.44 -5.00 4.92 1.51 0.17 -4.97 117.35 117.11 1tp8 s TYR 93 Ca 0.06 -2.21 0.00 0.00 -1.01 0.00 0.00 57.07 53.91 1tp8 s TYR 93 Cb -0.12 -2.58 0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1tp8 s TYR 93 CO 0.02 -0.88 0.00 0.41 -1.11 0.00 0.00 175.55 173.99 1tp8 n GLY 94 N 4.56 0.71 3.87 0.71 0.00 -1.26 -0.40 105.19 113.38 1tp8 n GLY 94 Ca -0.07 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.12 3.17 -0.12 1.61 0.05 -1.26 -5.01 135.00 132.32 1tp8 s PRO 95 Ca 0.00 0.61 0.02 0.00 0.05 0.00 0.00 61.00 61.68 1tp8 s PRO 95 Cb 0.00 -2.04 0.01 0.00 0.05 0.00 0.00 34.50 32.52 1tp8 s PRO 95 CO 0.00 -0.85 -0.20 0.71 0.05 0.00 0.00 177.00 176.71 1tp8 s TYR 96 N -3.27 2.36 0.00 0.56 2.02 -0.68 -4.96 117.35 113.40 1tp8 s TYR 96 Ca 0.57 -1.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1tp8 s TYR 96 Cb -0.11 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1tp8 s TYR 96 CO 0.53 -0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 1tp8 n GLY 97 N 4.00 -1.72 3.71 0.71 0.00 -1.26 -1.90 105.19 108.73 1tp8 n GLY 97 Ca -0.20 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 4.97 -1.15 1.61 1.01 -0.34 -4.84 120.40 121.66 1tp8 s VAL 98 Ca 0.00 1.69 -0.09 0.00 0.00 0.00 0.00 61.98 63.58 1tp8 s VAL 98 Cb 0.00 -4.15 0.25 0.00 0.00 0.00 0.00 36.38 32.48 1tp8 s VAL 98 CO 0.00 0.21 1.28 0.35 0.00 0.00 0.00 175.10 176.94 1tp8 n THR 99 N 3.85 4.59 -3.69 3.92 -2.24 -1.26 -3.46 114.28 115.98 1tp8 n THR 99 Ca 0.02 -5.25 -0.10 0.00 -2.27 0.00 0.00 64.05 56.44 1tp8 n THR 99 Cb 0.51 -2.48 -0.10 0.00 -2.10 0.00 0.00 70.33 66.15 1tp8 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1tp8 s SER 100 N 1.25 -0.55 0.00 3.42 0.15 -1.26 -5.09 113.70 111.61 1tp8 s SER 100 Ca 0.34 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1tp8 s SER 100 Cb -0.05 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1tp8 s SER 100 CO -0.03 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1tp8 n GLY 101 N 4.23 0.32 3.41 9.45 0.00 -1.26 -4.54 105.19 116.79 1tp8 n GLY 101 Ca -0.23 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.50 3.57 0.39 2.61 2.01 -0.23 -4.94 115.64 118.56 1tp8 s THR 102 Ca 0.00 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.38 1tp8 s THR 102 Cb 0.00 -2.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.85 1tp8 s THR 102 CO 0.00 0.47 0.84 -2.16 -0.69 0.00 0.00 174.62 173.09 1tp8 s PRO 103 N 0.73 4.04 0.02 4.92 0.04 -1.26 -0.68 135.00 142.81 1tp8 s PRO 103 Ca -0.03 0.82 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1tp8 s PRO 103 Cb -0.15 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1tp8 s PRO 103 CO 0.02 0.01 -0.04 -0.59 0.04 0.00 0.00 177.00 176.44 1tp8 s PHE 104 N -2.18 0.38 -0.16 0.56 -0.12 -0.75 -4.94 117.98 110.76 1tp8 s PHE 104 Ca 0.57 -0.47 -0.15 0.00 -0.05 0.00 0.00 56.93 56.82 1tp8 s PHE 104 Cb -0.10 -0.25 0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1tp8 s PHE 104 CO 0.20 -0.14 0.43 0.54 -0.05 0.00 0.00 175.22 176.20 1tp8 s ASN 105 N -1.37 -0.45 -0.50 1.98 4.22 -1.26 -1.18 114.94 116.38 1tp8 s ASN 105 Ca -0.13 0.84 0.03 0.00 -2.14 0.00 0.00 52.86 51.47 1tp8 s ASN 105 Cb -0.09 0.86 0.15 0.00 1.28 0.00 0.00 41.25 43.45 1tp8 s ASN 105 CO -0.00 -0.17 0.31 -0.22 -2.04 0.00 0.00 177.10 174.97 1tp8 s LEU 106 N 0.14 3.03 0.07 3.54 0.20 0.40 -5.01 118.68 121.06 1tp8 s LEU 106 Ca -0.01 -2.98 -0.30 0.00 0.69 0.00 0.00 54.13 51.53 1tp8 s LEU 106 Cb -0.03 -1.10 -0.06 0.00 -0.43 0.00 0.00 46.19 44.58 1tp8 s LEU 106 CO 0.01 -0.21 1.13 -2.16 -0.29 0.00 0.00 176.35 174.83 1tp8 s PRO 107 N -0.12 4.49 -0.22 0.98 0.05 -1.26 -2.50 135.00 136.42 1tp8 s PRO 107 Ca 0.22 1.69 -0.09 0.00 0.05 0.00 0.00 61.00 62.86 1tp8 s PRO 107 Cb -0.15 -3.35 -0.05 0.00 0.05 0.00 0.00 34.50 31.00 1tp8 s PRO 107 CO -0.07 -0.14 0.12 0.42 0.05 0.00 0.00 177.00 177.39 1tp8 s ILE 108 N 0.76 5.12 -0.11 0.56 1.01 -0.35 -4.98 121.20 123.20 1tp8 s ILE 108 Ca 0.55 0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1tp8 s ILE 108 Cb -0.28 -3.37 -0.24 0.00 0.01 0.00 0.00 42.46 38.59 1tp8 s ILE 108 CO 0.30 0.38 0.38 1.21 0.00 0.00 0.00 174.94 177.22 1tp8 n GLU 109 N 4.09 0.69 -3.67 2.79 2.13 -1.26 -4.86 120.64 120.55 1tp8 n GLU 109 Ca -0.16 0.23 -0.09 0.00 0.66 0.00 0.00 57.16 57.81 1tp8 n GLU 109 Cb 0.52 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 30.44 1tp8 n GLU 109 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1tp8 s ASN 110 N -6.45 -0.59 0.00 4.31 3.84 -1.26 -5.15 114.94 109.65 1tp8 s ASN 110 Ca -0.16 1.08 0.00 0.00 0.21 0.00 0.00 52.86 54.00 1tp8 s ASN 110 Cb 0.07 1.11 0.00 0.00 -0.55 0.00 0.00 41.25 41.88 1tp8 s ASN 110 CO 0.78 -0.21 0.00 0.61 -2.79 0.00 0.00 177.10 175.49 1tp8 n GLY 111 N 4.57 1.71 3.15 1.21 0.00 -1.26 -5.02 105.19 109.55 1tp8 n GLY 111 Ca -0.19 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 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 2.44 -0.27 0.99 1.43 0.27 -4.94 118.68 118.60 1tp8 s LEU 112 Ca 0.00 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.11 1tp8 s LEU 112 Cb 0.00 -0.14 -0.05 0.00 0.03 0.00 0.00 46.19 46.04 1tp8 s LEU 112 CO 0.00 -0.37 0.25 -0.63 0.23 0.00 0.00 176.35 175.83 1tp8 s ILE 113 N -2.91 5.27 -0.04 -0.59 1.01 -1.26 -0.86 121.20 121.82 1tp8 s ILE 113 Ca 0.06 0.32 0.06 0.00 0.00 0.00 0.00 60.65 61.09 1tp8 s ILE 113 Cb 0.00 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.97 1tp8 s ILE 113 CO -0.03 0.23 0.96 1.33 0.00 0.00 0.00 174.94 177.44 1tp8 n VAL 114 N 4.95 0.99 -3.64 2.92 0.24 0.02 -4.56 118.33 119.25 1tp8 n VAL 114 Ca -0.12 -1.10 -0.03 0.00 -2.04 0.00 0.00 64.34 61.06 1tp8 n VAL 114 Cb 0.52 0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 1tp8 n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tp8 s GLY 115 N -1.39 -0.19 0.06 7.63 0.00 -1.24 -0.60 107.32 111.60 1tp8 s GLY 115 Ca 0.09 1.94 0.00 0.00 0.00 0.00 0.00 44.72 46.76 1tp8 s GLY 115 CO 0.01 0.66 -0.05 -1.36 0.00 0.00 0.00 173.10 172.36 1tp8 s PHE 116 N -2.02 0.64 -0.08 1.90 0.08 -1.26 -1.60 117.98 115.64 1tp8 s PHE 116 Ca 0.11 -0.88 -0.24 0.00 0.12 0.00 0.00 56.93 56.03 1tp8 s PHE 116 Cb -0.01 -0.41 0.06 0.00 -0.57 0.00 0.00 43.02 42.08 1tp8 s PHE 116 CO -0.03 -0.24 0.57 -1.59 -0.10 0.00 0.00 175.22 173.83 1tp8 s LYS 117 N -3.33 0.87 0.00 0.44 -2.85 -0.67 -1.55 119.74 112.66 1tp8 s LYS 117 Ca 0.04 0.29 0.00 0.00 -1.00 0.00 0.00 55.97 55.30 1tp8 s LYS 117 Cb 0.03 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1tp8 s LYS 117 CO -0.06 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.57 1tp8 n GLY 118 N 1.46 1.24 3.54 0.59 0.00 -0.79 -0.06 105.19 111.19 1tp8 n GLY 118 Ca -0.18 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.70 -0.02 1.61 0.15 -0.97 -0.31 113.70 115.46 1tp8 s SER 119 Ca 0.00 1.30 0.03 0.00 0.70 0.00 0.00 55.95 57.98 1tp8 s SER 119 Cb 0.00 1.29 -0.00 0.00 -1.71 0.00 0.00 66.02 65.60 1tp8 s SER 119 CO 0.00 -0.22 -0.10 -0.63 1.20 0.00 0.00 173.24 173.49 1tp8 s ILE 120 N 0.59 0.85 0.00 6.45 1.01 -1.06 0.39 121.20 129.42 1tp8 s ILE 120 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1tp8 s ILE 120 Cb -0.05 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1tp8 s ILE 120 CO -0.03 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1tp8 n GLY 121 N 3.16 1.73 0.06 6.18 0.00 -1.26 0.12 105.19 115.17 1tp8 n GLY 121 Ca -0.17 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.01 -1.95 1.61 -1.99 -1.95 -1.36 116.97 111.31 1tp8 h TYR 122 Ca 0.00 -0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.12 1tp8 h TYR 122 Cb 0.00 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.61 1tp8 h TYR 122 CO 0.00 0.48 -0.66 -1.58 -0.00 0.00 0.00 178.16 176.40 1tp8 s TRP 123 N -4.21 2.46 -0.19 4.88 0.51 -1.26 -4.40 118.94 116.73 1tp8 s TRP 123 Ca -0.16 -0.46 -0.28 0.00 -2.12 0.00 0.00 56.10 53.08 1tp8 s TRP 123 Cb 0.02 -1.40 -0.05 0.00 -0.81 0.00 0.00 33.47 31.23 1tp8 s TRP 123 CO 0.67 0.55 2.11 1.41 -0.51 0.00 0.00 176.95 181.18 1tp8 s MET 124 N -3.64 3.34 0.08 4.98 -2.45 0.59 -4.50 119.30 117.70 1tp8 s MET 124 Ca 0.33 2.05 -0.17 0.00 -1.25 0.00 0.00 55.69 56.66 1tp8 s MET 124 Cb 0.01 -4.31 -0.10 0.00 1.25 0.00 0.00 34.83 31.68 1tp8 s MET 124 CO 0.18 -1.86 1.40 -0.44 1.05 0.00 0.00 175.02 175.34 1tp8 h ASP 125 N 13.95 0.62 -5.25 1.11 3.32 -0.35 -0.21 116.42 129.61 1tp8 h ASP 125 Ca -0.41 -0.47 0.16 0.00 0.02 0.00 0.00 57.03 56.33 1tp8 h ASP 125 Cb 1.23 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 1tp8 h ASP 125 CO 0.97 0.96 0.46 -0.72 -1.72 0.00 0.00 179.24 179.19 1tp8 s TYR 126 N -4.37 -0.16 0.19 4.55 -0.85 -1.22 -4.21 117.35 111.28 1tp8 s TYR 126 Ca -0.13 -0.15 -0.23 0.00 -0.52 0.00 0.00 57.07 56.05 1tp8 s TYR 126 Cb 0.08 0.64 0.06 0.00 0.38 0.00 0.00 41.96 43.11 1tp8 s TYR 126 CO 0.80 -0.83 0.64 -0.59 -1.52 0.00 0.00 175.55 174.05 1tp8 s PHE 127 N -3.32 -0.44 0.06 -3.49 -0.71 -1.26 -2.29 117.98 106.53 1tp8 s PHE 127 Ca 0.11 0.17 0.02 0.00 -1.04 0.00 0.00 56.93 56.20 1tp8 s PHE 127 Cb -0.02 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1tp8 s PHE 127 CO 0.01 -0.94 -0.08 -1.12 -1.34 0.00 0.00 175.22 171.76 1tp8 s SER 128 N -2.79 0.97 0.06 1.98 0.01 0.92 -4.99 113.70 109.87 1tp8 s SER 128 Ca 0.04 -0.69 0.09 0.00 1.31 0.00 0.00 55.95 56.70 1tp8 s SER 128 Cb -0.02 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.22 1tp8 s SER 128 CO -0.08 -0.28 -0.23 -0.04 0.41 0.00 0.00 173.24 173.03 1tp8 s MET 129 N -2.25 1.82 -0.19 12.44 -1.94 -1.26 -1.66 119.30 126.25 1tp8 s MET 129 Ca -0.03 -1.11 -0.19 0.00 -1.71 0.00 0.00 55.69 52.65 1tp8 s MET 129 Cb -0.06 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 1tp8 s MET 129 CO -0.01 0.51 0.52 0.71 -0.01 0.00 0.00 175.02 176.74 1tp8 s TYR 130 N -0.92 3.38 0.13 -0.03 1.51 -0.63 -5.00 117.35 115.80 1tp8 s TYR 130 Ca 0.14 0.79 0.06 0.00 -1.01 0.00 0.00 57.07 57.05 1tp8 s TYR 130 Cb -0.10 -2.67 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 1tp8 s TYR 130 CO 0.05 -0.09 -0.00 -0.51 -1.11 0.00 0.00 175.55 173.89 1tp8 s LEU 131 N 1.58 3.38 0.12 -1.29 1.02 -1.26 -0.80 118.68 121.44 1tp8 s LEU 131 Ca 0.24 -0.29 -0.26 0.00 0.02 0.00 0.00 54.13 53.85 1tp8 s LEU 131 Cb -0.15 -2.07 0.07 0.00 0.02 0.00 0.00 46.19 44.05 1tp8 s LEU 131 CO 0.10 0.13 0.99 -0.55 0.02 0.00 0.00 176.35 177.04 1tp8 s SER 132 N -2.63 -0.17 0.00 2.29 0.15 -0.04 -4.92 113.70 108.38 1tp8 s SER 132 Ca 0.26 -0.35 0.26 0.00 0.70 0.00 0.00 55.95 56.82 1tp8 s SER 132 Cb -0.10 0.44 0.53 0.00 -1.71 0.00 0.00 66.02 65.18 1tp8 s SER 132 CO 0.18 -0.82 1.45 0.18 1.20 0.00 0.00 173.24 175.44