#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f18 s GLN 2 N 0.00 1.29 0.14 5.55 -0.21 -1.26 -1.62 119.66 123.54 1f18 s GLN 2 Ca 0.00 -1.07 -0.06 0.00 0.02 0.00 0.00 55.36 54.25 1f18 s GLN 2 Cb 0.00 -1.49 -0.02 0.00 1.00 0.00 0.00 33.01 32.50 1f18 s GLN 2 CO 0.00 0.37 0.17 0.00 -2.12 0.00 0.00 175.29 173.71 1f18 s ALA 3 N -0.98 0.33 -0.10 6.09 0.00 -0.67 -1.48 121.76 124.95 1f18 s ALA 3 Ca 0.08 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 1f18 s ALA 3 Cb -0.09 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1f18 s ALA 3 CO 0.03 -0.56 0.48 0.54 0.00 0.00 0.00 175.76 176.25 1f18 s VAL 4 N -3.99 0.02 -0.08 0.00 0.11 -0.16 -0.91 120.40 115.39 1f18 s VAL 4 Ca 0.18 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1f18 s VAL 4 Cb 0.05 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1f18 s VAL 4 CO -0.01 -0.08 -0.14 0.00 -3.33 0.00 0.00 175.10 171.54 1f18 s ALA 5 N -0.57 1.45 -0.40 1.54 0.00 -0.09 -1.16 121.76 122.54 1f18 s ALA 5 Ca -0.07 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1f18 s ALA 5 Cb -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1f18 s ALA 5 CO 0.04 0.09 0.28 0.08 0.00 0.00 0.00 175.76 176.25 1f18 s VAL 6 N 0.71 5.19 -0.22 0.00 1.01 -1.26 -0.53 120.40 125.31 1f18 s VAL 6 Ca -0.13 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1f18 s VAL 6 Cb -0.16 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1f18 s VAL 6 CO 0.03 -0.26 1.01 -0.76 0.00 0.00 0.00 175.10 175.12 1f18 s LEU 7 N 1.67 4.11 0.07 3.92 1.43 -0.24 -3.91 118.68 125.74 1f18 s LEU 7 Ca 0.05 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 1f18 s LEU 7 Cb -0.19 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1f18 s LEU 7 CO 0.10 -0.63 -0.06 -0.54 0.23 0.00 0.00 176.35 175.45 1f18 s LYS 8 N 3.03 0.69 0.00 1.70 1.02 -0.77 -1.56 119.74 123.85 1f18 s LYS 8 Ca 0.43 -1.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.26 1f18 s LYS 8 Cb -0.15 -0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1f18 s LYS 8 CO 0.07 -0.01 0.25 0.41 -0.92 0.00 0.00 175.35 175.15 1f18 n GLY 9 N 0.52 0.68 0.51 -3.33 0.00 -1.25 -2.21 105.19 100.10 1f18 n GLY 9 Ca -0.16 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.01 1f18 n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f18 n ASP 10 N -0.42 2.74 -1.25 1.61 8.00 -1.26 -4.57 116.55 121.40 1f18 n ASP 10 Ca 0.01 -2.00 0.11 0.00 0.71 0.00 0.00 54.79 53.62 1f18 n ASP 10 Cb 0.12 -0.19 0.28 0.00 -0.02 0.00 0.00 41.12 41.32 1f18 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f18 n ALA 11 N 0.31 2.37 -0.19 2.24 0.00 -1.26 -4.95 120.51 119.02 1f18 n ALA 11 Ca 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1f18 n ALA 11 Cb 0.39 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1f18 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f18 n GLY 12 N 1.52 1.16 3.79 0.00 0.00 -1.26 -5.02 105.19 105.37 1f18 n GLY 12 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1f18 n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f18 s VAL 13 N -2.68 5.42 0.19 1.61 1.01 -1.26 -4.03 120.40 120.67 1f18 s VAL 13 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 1f18 s VAL 13 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1f18 s VAL 13 CO 0.00 0.51 0.50 -0.94 0.00 0.00 0.00 175.10 175.18 1f18 s SER 14 N -0.21 -0.25 0.00 3.32 1.04 -0.69 -3.95 113.70 112.95 1f18 s SER 14 Ca 0.11 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1f18 s SER 14 Cb -0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1f18 s SER 14 CO 0.01 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1f18 n GLY 15 N -0.32 -1.32 2.79 7.32 0.00 -0.60 -0.68 105.19 112.38 1f18 n GLY 15 Ca -0.11 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1f18 n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f18 s VAL 16 N -2.79 -0.05 -0.15 1.61 1.01 -0.23 -1.08 120.40 118.73 1f18 s VAL 16 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1f18 s VAL 16 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.33 1f18 s VAL 16 CO 0.00 0.07 -0.20 -0.69 0.00 0.00 0.00 175.10 174.28 1f18 s VAL 17 N 0.82 2.18 0.01 2.92 1.01 0.31 -1.73 120.40 125.94 1f18 s VAL 17 Ca -0.07 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1f18 s VAL 17 Cb -0.10 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1f18 s VAL 17 CO -0.02 0.54 -0.02 -0.54 0.00 0.00 0.00 175.10 175.05 1f18 s LYS 18 N 0.89 2.66 -0.03 2.72 1.02 0.22 -0.91 119.74 126.32 1f18 s LYS 18 Ca -0.05 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.30 1f18 s LYS 18 Cb -0.15 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1f18 s LYS 18 CO -0.03 0.60 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.79 1f18 s PHE 19 N -1.09 1.47 -0.05 3.18 0.40 -0.09 -0.67 117.98 121.13 1f18 s PHE 19 Ca 0.20 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1f18 s PHE 19 Cb -0.11 -0.98 0.04 0.00 0.51 0.00 0.00 43.02 42.47 1f18 s PHE 19 CO 0.10 -0.10 0.11 -2.00 0.70 0.00 0.00 175.22 174.03 1f18 s GLU 20 N -0.09 0.04 -0.04 0.44 2.12 0.17 -1.67 118.70 119.66 1f18 s GLU 20 Ca 0.00 0.35 -0.02 0.00 0.36 0.00 0.00 54.97 55.66 1f18 s GLU 20 Cb -0.09 -0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.10 1f18 s GLU 20 CO 0.01 -0.20 0.08 -1.14 -0.54 0.00 0.00 175.26 173.47 1f18 s GLN 21 N 1.36 -0.02 -0.04 4.30 0.74 -0.64 0.58 119.66 125.94 1f18 s GLN 21 Ca -0.07 0.34 -0.25 0.00 0.05 0.00 0.00 55.36 55.43 1f18 s GLN 21 Cb -0.12 -0.32 -0.21 0.00 1.10 0.00 0.00 33.01 33.46 1f18 s GLN 21 CO -0.05 -0.24 1.16 0.00 -0.55 0.00 0.00 175.29 175.61 1f18 h ALA 22 N 7.79 0.04 -2.68 1.58 0.00 -1.83 0.66 119.26 124.81 1f18 h ALA 22 Ca -0.30 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 1f18 h ALA 22 Cb 1.12 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1f18 h ALA 22 CO 0.32 -0.10 -0.18 -1.54 0.00 0.00 0.00 179.25 177.75 1f18 s SER 23 N -5.95 -0.09 0.28 0.00 1.04 -1.26 -4.46 113.70 103.26 1f18 s SER 23 Ca -0.16 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.78 1f18 s SER 23 Cb 0.01 0.44 0.68 0.00 0.10 0.00 0.00 66.02 67.25 1f18 s SER 23 CO 0.70 -0.85 1.70 -0.08 0.98 0.00 0.00 173.24 175.69 1f18 h GLU 24 N 2.48 0.38 -0.00 4.02 4.81 -1.92 -1.78 114.58 122.56 1f18 h GLU 24 Ca -0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1f18 h GLU 24 Cb 1.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1f18 h GLU 24 CO 0.49 0.25 -0.05 -1.13 -0.73 0.00 0.00 179.01 177.84 1f18 n SER 25 N -5.06 0.05 -4.91 1.04 3.41 -1.26 -4.89 113.62 101.99 1f18 n SER 25 Ca 0.21 0.43 -0.27 0.00 -0.26 0.00 0.00 58.87 58.98 1f18 n SER 25 Cb 0.62 -0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1f18 n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1f18 s GLU 26 N -3.00 3.50 0.63 4.33 0.41 -0.67 -5.05 118.70 118.85 1f18 s GLU 26 Ca 0.14 0.07 -0.17 0.00 -0.41 0.00 0.00 54.97 54.60 1f18 s GLU 26 Cb 0.19 -2.43 -0.01 0.00 -1.78 0.00 0.00 34.13 30.09 1f18 s GLU 26 CO 0.55 -0.15 1.16 -2.14 -0.49 0.00 0.00 175.26 174.19 1f18 s PRO 27 N -4.66 2.82 -0.15 0.39 0.02 -1.26 -4.85 135.00 127.31 1f18 s PRO 27 Ca 0.46 1.63 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 1f18 s PRO 27 Cb -0.10 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 1f18 s PRO 27 CO 0.43 -1.28 0.22 0.99 -0.33 0.00 0.00 177.00 177.03 1f18 s THR 28 N -1.96 5.36 -0.28 0.99 2.01 -0.06 -4.58 115.64 117.12 1f18 s THR 28 Ca 0.72 0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 1f18 s THR 28 Cb -0.26 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1f18 s THR 28 CO 0.37 0.48 0.48 -0.89 -0.69 0.00 0.00 174.62 174.37 1f18 s THR 29 N -0.09 5.08 -0.22 -0.82 2.01 0.19 -1.04 115.64 120.76 1f18 s THR 29 Ca 0.14 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 62.79 1f18 s THR 29 Cb -0.13 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1f18 s THR 29 CO 0.03 0.05 0.05 -0.69 -0.69 0.00 0.00 174.62 173.37 1f18 s VAL 30 N 2.27 4.35 0.07 3.82 1.01 0.00 -0.66 120.40 131.27 1f18 s VAL 30 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1f18 s VAL 30 Cb -0.16 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1f18 s VAL 30 CO 0.10 0.39 -0.18 -0.94 0.00 0.00 0.00 175.10 174.47 1f18 s SER 31 N 1.15 2.11 0.04 3.32 1.04 0.16 -0.83 113.70 120.69 1f18 s SER 31 Ca 0.04 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 1f18 s SER 31 Cb -0.14 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1f18 s SER 31 CO 0.03 0.03 0.25 -0.72 0.98 0.00 0.00 173.24 173.81 1f18 s TYR 32 N -1.06 -0.02 -0.08 5.02 -0.85 -0.45 0.71 117.35 120.62 1f18 s TYR 32 Ca 0.03 -0.15 -0.02 0.00 -0.52 0.00 0.00 57.07 56.41 1f18 s TYR 32 Cb -0.09 0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.31 1f18 s TYR 32 CO 0.03 -0.46 0.05 -1.21 -1.52 0.00 0.00 175.55 172.44 1f18 s GLU 33 N -2.51 0.17 -0.06 -3.49 2.02 -0.70 -1.81 118.70 112.32 1f18 s GLU 33 Ca -0.05 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.13 1f18 s GLU 33 Cb -0.01 -0.94 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1f18 s GLU 33 CO -0.03 -0.40 -0.06 0.42 0.02 0.00 0.00 175.26 175.21 1f18 s ILE 34 N 2.09 0.68 0.28 -1.63 1.01 -0.04 -1.07 121.20 122.53 1f18 s ILE 34 Ca 0.04 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.62 1f18 s ILE 34 Cb -0.13 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1f18 s ILE 34 CO -0.05 0.27 -0.00 0.00 0.00 0.00 0.00 174.94 175.16 1f18 s ALA 35 N 1.15 3.17 0.00 9.38 0.00 0.14 -0.29 121.76 135.32 1f18 s ALA 35 Ca -0.07 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1f18 s ALA 35 Cb -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1f18 s ALA 35 CO -0.01 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1f18 n GLY 36 N -0.91 0.68 3.90 0.00 0.00 -1.18 -1.71 105.19 105.96 1f18 n GLY 36 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1f18 n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f18 s ASN 37 N -2.13 5.22 0.49 1.61 0.01 -0.72 -4.30 114.94 115.11 1f18 s ASN 37 Ca 0.00 0.88 -0.24 0.00 -0.71 0.00 0.00 52.86 52.79 1f18 s ASN 37 Cb 0.00 -1.64 -0.07 0.00 0.41 0.00 0.00 41.25 39.95 1f18 s ASN 37 CO 0.00 -1.42 1.36 -1.20 -1.51 0.00 0.00 177.10 174.33 1f18 n SER 38 N -2.96 2.84 -4.86 -1.22 7.64 -1.26 -4.26 113.62 109.54 1f18 n SER 38 Ca 0.07 1.05 -0.31 0.00 1.01 0.00 0.00 58.87 60.69 1f18 n SER 38 Cb 0.58 -1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 1f18 n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1f18 s PRO 39 N -2.60 3.80 -1.46 1.43 0.04 -1.26 -4.19 135.00 130.77 1f18 s PRO 39 Ca 0.66 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1f18 s PRO 39 Cb -0.44 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 31.91 1f18 s PRO 39 CO 0.54 -0.25 0.65 0.09 0.04 0.00 0.00 177.00 178.07 1f18 n ASN 40 N -1.75 -1.85 -3.50 6.66 3.02 0.62 -4.94 115.26 113.51 1f18 n ASN 40 Ca 0.05 -0.92 -0.22 0.00 -0.03 0.00 0.00 54.58 53.46 1f18 n ASN 40 Cb 0.54 -3.40 -0.07 0.00 -0.61 0.00 0.00 39.78 36.24 1f18 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f18 n ALA 41 N -4.42 0.59 -3.50 5.41 0.00 -1.20 -4.93 120.51 112.46 1f18 n ALA 41 Ca -0.18 -1.90 -0.26 0.00 0.00 0.00 0.00 53.44 51.10 1f18 n ALA 41 Cb 0.62 1.37 -0.17 0.00 0.00 0.00 0.00 19.45 21.27 1f18 n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f18 s GLU 42 N -3.39 1.84 -0.06 0.00 2.02 -1.26 -0.84 118.70 117.01 1f18 s GLU 42 Ca 0.26 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.83 1f18 s GLU 42 Cb 0.01 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1f18 s GLU 42 CO 0.18 0.01 -0.17 1.03 0.02 0.00 0.00 175.26 176.32 1f18 s ARG 43 N 0.76 2.09 0.37 1.61 1.81 -0.36 -3.27 118.95 121.95 1f18 s ARG 43 Ca -0.13 -0.62 -0.27 0.00 -1.72 0.00 0.00 55.73 53.00 1f18 s ARG 43 Cb -0.16 -1.70 -0.12 0.00 -0.45 0.00 0.00 34.95 32.53 1f18 s ARG 43 CO 0.03 0.16 1.29 0.41 -0.68 0.00 0.00 175.30 176.51 1f18 n GLY 44 N 3.46 0.60 2.86 -3.53 0.00 -0.26 -0.67 105.19 107.65 1f18 n GLY 44 Ca -0.20 0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1f18 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1f18 s PHE 45 N -1.13 -0.37 0.13 1.61 5.36 -1.26 -0.63 117.98 121.69 1f18 s PHE 45 Ca 0.57 0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 57.05 1f18 s PHE 45 Cb -0.55 -0.21 -0.03 0.00 -0.34 0.00 0.00 43.02 41.89 1f18 s PHE 45 CO 0.61 -0.51 0.12 -1.01 -1.46 0.00 0.00 175.22 172.97 1f18 s HIS 46 N 2.38 0.67 -0.22 10.12 3.76 -0.71 -2.75 115.29 128.53 1f18 s HIS 46 Ca 0.05 -1.06 -0.15 0.00 -0.15 0.00 0.00 55.06 53.76 1f18 s HIS 46 Cb -0.14 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 1f18 s HIS 46 CO -0.11 -0.57 0.36 0.42 -0.85 0.00 0.00 174.74 173.99 1f18 s ILE 47 N -4.01 5.22 0.17 0.60 -1.09 -0.18 -1.15 121.20 120.76 1f18 s ILE 47 Ca 0.20 0.60 0.03 0.00 -2.23 0.00 0.00 60.65 59.26 1f18 s ILE 47 Cb 0.06 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1f18 s ILE 47 CO -0.00 0.25 0.29 -1.00 -1.23 0.00 0.00 174.94 173.25 1f18 s HIS 48 N 1.42 3.45 0.19 3.97 3.76 0.54 -1.13 115.29 127.50 1f18 s HIS 48 Ca 0.17 0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.03 1f18 s HIS 48 Cb -0.15 -1.63 0.20 0.00 1.11 0.00 0.00 32.58 32.11 1f18 s HIS 48 CO 0.08 0.50 1.73 1.49 -0.85 0.00 0.00 174.74 177.69 1f18 h GLU 49 N 1.93 0.30 -6.27 1.40 4.81 -0.44 -2.69 114.58 113.62 1f18 h GLU 49 Ca -0.49 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.05 1f18 h GLU 49 Cb 1.20 -0.07 -0.16 0.00 0.63 0.00 0.00 28.75 30.36 1f18 h GLU 49 CO 0.67 0.20 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.40 1f18 s PHE 50 N -6.13 2.94 -0.70 0.92 0.08 -0.01 -4.64 117.98 110.44 1f18 s PHE 50 Ca -0.13 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 1f18 s PHE 50 Cb 0.16 -1.61 0.25 0.00 -0.57 0.00 0.00 43.02 41.24 1f18 s PHE 50 CO 0.73 0.41 2.29 0.41 -0.10 0.00 0.00 175.22 178.96 1f18 n GLY 51 N 1.39 5.11 3.25 4.36 0.00 -0.96 -3.60 105.19 114.74 1f18 n GLY 51 Ca -0.15 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.26 1f18 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f18 s ASP 52 N -0.59 4.85 -0.21 1.61 -1.08 -1.26 -4.93 116.67 115.06 1f18 s ASP 52 Ca 0.54 -0.95 0.15 0.00 -0.52 0.00 0.00 52.55 51.78 1f18 s ASP 52 Cb 0.42 -1.77 0.61 0.00 -1.46 0.00 0.00 42.92 40.72 1f18 s ASP 52 CO -0.34 -0.21 1.53 0.00 0.52 0.00 0.00 175.17 176.67 1f18 n ALA 53 N 4.74 3.35 0.23 3.66 0.00 -1.26 -3.34 120.51 127.89 1f18 n ALA 53 Ca -0.14 -2.26 0.10 0.00 0.00 0.00 0.00 53.44 51.14 1f18 n ALA 53 Cb 0.46 -0.84 0.53 0.00 0.00 0.00 0.00 19.45 19.60 1f18 n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1f18 h THR 54 N 2.34 0.63 -2.25 0.00 1.35 -1.93 -3.34 112.91 109.71 1f18 h THR 54 Ca 0.02 -0.98 -0.59 0.00 -0.55 0.00 0.00 66.41 64.31 1f18 h THR 54 Cb 1.64 1.64 -0.41 0.00 -1.73 0.00 0.00 68.15 69.29 1f18 h THR 54 CO 0.32 0.21 -0.81 -3.20 -0.25 0.00 0.00 175.52 171.80 1f18 n ASN 55 N -3.52 1.98 0.00 5.36 5.15 -1.26 -5.04 115.26 117.93 1f18 n ASN 55 Ca -0.01 -3.04 0.00 0.00 -0.60 0.00 0.00 54.58 50.93 1f18 n ASN 55 Cb 0.37 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 1f18 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f18 n GLY 56 N 1.38 3.29 0.62 8.20 0.00 -1.26 -1.43 105.19 116.00 1f18 n GLY 56 Ca 0.26 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1f18 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f18 h VAL 58 N 3.05 1.33 0.00 0.00 2.07 -1.59 -3.07 116.25 118.04 1f18 h VAL 58 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1f18 h VAL 58 Cb 0.77 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1f18 h VAL 58 CO 0.00 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 1f18 n SER 59 N -4.64 0.00 0.27 0.57 3.41 -1.10 -1.98 113.62 110.16 1f18 n SER 59 Ca -0.06 0.09 0.18 0.00 -0.26 0.00 0.00 58.87 58.81 1f18 n SER 59 Cb 0.31 -0.22 0.72 0.00 -0.26 0.00 0.00 64.21 64.76 1f18 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f18 h ALA 60 N 2.38 1.00 -0.03 7.33 0.00 -1.53 -3.39 119.26 125.01 1f18 h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f18 h ALA 60 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1f18 h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1f18 n GLY 61 N -0.07 -1.56 3.96 0.00 0.00 -0.84 -0.83 105.19 105.85 1f18 n GLY 61 Ca 0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1f18 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f18 s PRO 62 N 0.00 1.00 0.38 1.61 0.04 -1.26 -4.67 135.00 132.10 1f18 s PRO 62 Ca 0.00 -0.68 -0.28 0.00 0.04 0.00 0.00 61.00 60.08 1f18 s PRO 62 Cb 0.00 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1f18 s PRO 62 CO 0.00 -2.08 1.48 -1.01 0.04 0.00 0.00 177.00 175.44 1f18 s HIS 63 N -3.62 2.57 -0.08 0.56 3.76 -1.26 -0.13 115.29 117.08 1f18 s HIS 63 Ca 0.71 1.18 -0.29 0.00 -0.15 0.00 0.00 55.06 56.51 1f18 s HIS 63 Cb -0.04 -4.02 -0.06 0.00 1.11 0.00 0.00 32.58 29.57 1f18 s HIS 63 CO 0.50 -2.99 1.93 0.12 -0.85 0.00 0.00 174.74 173.45 1f18 s PHE 64 N -1.13 1.47 -0.40 1.40 5.36 -0.28 -4.47 117.98 119.94 1f18 s PHE 64 Ca 0.53 0.05 0.09 0.00 -0.96 0.00 0.00 56.93 56.64 1f18 s PHE 64 Cb -0.46 -4.08 0.30 0.00 -0.34 0.00 0.00 43.02 38.43 1f18 s PHE 64 CO 0.63 -4.53 0.69 -1.71 -1.46 0.00 0.00 175.22 168.83 1f18 n ASN 65 N 8.72 -0.04 0.28 6.13 5.15 -1.26 -1.86 115.26 132.37 1f18 n ASN 65 Ca 0.22 -2.97 0.14 0.00 -0.60 0.00 0.00 54.58 51.37 1f18 n ASN 65 Cb 0.43 -0.19 0.84 0.00 -0.53 0.00 0.00 39.78 40.33 1f18 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1f18 h PRO 66 N 3.50 0.00 -0.25 1.20 0.13 -1.98 -2.47 132.00 132.13 1f18 h PRO 66 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1f18 h PRO 66 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1f18 h PRO 66 CO 0.44 0.05 0.00 1.19 -0.23 0.00 0.00 178.00 179.45 1f18 n PHE 67 N -3.76 0.32 -3.74 1.56 3.72 -1.26 -4.96 117.46 109.34 1f18 n PHE 67 Ca -0.02 -0.16 -0.26 0.00 -0.05 0.00 0.00 57.45 56.95 1f18 n PHE 67 Cb 0.15 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 1f18 n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f18 n LYS 68 N 0.74 -2.78 -3.47 -1.08 5.02 -0.93 -5.01 118.16 110.64 1f18 n LYS 68 Ca 0.17 0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 56.75 1f18 n LYS 68 Cb 0.42 -4.58 -0.01 0.00 -0.02 0.00 0.00 35.03 30.85 1f18 n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1f18 s LYS 69 N -6.06 2.47 0.54 1.97 -0.14 -1.26 -5.13 119.74 112.14 1f18 s LYS 69 Ca 0.22 -1.62 -0.04 0.00 -1.36 0.00 0.00 55.97 53.17 1f18 s LYS 69 Cb -0.07 -2.41 -0.00 0.00 -1.68 0.00 0.00 37.83 33.66 1f18 s LYS 69 CO 0.85 -0.40 0.83 0.95 -0.76 0.00 0.00 175.35 176.82 1f18 s THR 70 N -2.55 3.94 0.18 2.17 -4.23 -1.26 -4.73 115.64 109.15 1f18 s THR 70 Ca 0.48 -0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.61 1f18 s THR 70 Cb -0.04 -3.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.17 1f18 s THR 70 CO 0.29 -0.50 1.50 -2.28 -0.54 0.00 0.00 174.62 173.09 1f18 s HIS 71 N -2.86 3.09 0.23 3.99 2.46 -0.10 -3.32 115.29 118.79 1f18 s HIS 71 Ca 0.52 0.79 -0.00 0.00 0.47 0.00 0.00 55.06 56.83 1f18 s HIS 71 Cb -0.10 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 1f18 s HIS 71 CO 0.44 -3.03 0.30 0.41 -2.47 0.00 0.00 174.74 170.38 1f18 n GLY 72 N 3.33 2.58 3.82 1.59 0.00 -1.26 -4.00 105.19 111.24 1f18 n GLY 72 Ca 0.12 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1f18 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f18 s ALA 73 N -2.44 2.92 0.35 4.61 0.00 -1.19 -4.73 121.76 121.29 1f18 s ALA 73 Ca 0.20 0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.64 1f18 s ALA 73 Cb -0.00 -3.19 0.85 0.00 0.00 0.00 0.00 23.12 20.77 1f18 s ALA 73 CO 0.14 -0.36 1.82 -1.35 0.00 0.00 0.00 175.76 176.02 1f18 h PRO 74 N 1.11 0.64 -0.11 0.00 0.11 -1.86 -0.93 132.00 130.96 1f18 h PRO 74 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1f18 h PRO 74 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1f18 h PRO 74 CO 0.60 0.42 0.00 0.25 -0.21 0.00 0.00 178.00 179.06 1f18 n THR 75 N -4.64 0.14 -3.07 -1.15 -2.24 -1.26 -4.87 114.28 97.19 1f18 n THR 75 Ca 0.21 -0.21 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1f18 n THR 75 Cb 0.58 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 1f18 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f18 s ASP 76 N -1.49 7.09 0.15 3.42 1.01 -0.36 -4.98 116.67 121.52 1f18 s ASP 76 Ca 0.28 1.46 -0.10 0.00 0.71 0.00 0.00 52.55 54.89 1f18 s ASP 76 Cb 0.14 -2.43 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 1f18 s ASP 76 CO 0.22 0.03 1.50 -0.33 0.21 0.00 0.00 175.17 176.80 1f18 h GLU 77 N 3.42 0.95 -5.02 8.23 5.08 -1.89 -3.39 114.58 121.96 1f18 h GLU 77 Ca -0.48 -0.47 -0.67 0.00 -1.00 0.00 0.00 59.36 56.74 1f18 h GLU 77 Cb 1.19 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 1f18 h GLU 77 CO 0.65 1.13 0.26 0.08 -1.00 0.00 0.00 179.01 180.14 1f18 s VAL 78 N -4.47 4.65 0.21 3.13 1.01 -1.26 -4.96 120.40 118.70 1f18 s VAL 78 Ca -0.11 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 1f18 s VAL 78 Cb 0.12 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 32.00 1f18 s VAL 78 CO 0.88 -1.19 0.60 0.00 0.00 0.00 0.00 175.10 175.39 1f18 s ARG 79 N 3.18 1.47 0.39 2.72 1.70 -1.22 -4.10 118.95 123.09 1f18 s ARG 79 Ca 0.16 -0.79 -0.23 0.00 -0.47 0.00 0.00 55.73 54.40 1f18 s ARG 79 Cb -0.21 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 1f18 s ARG 79 CO 0.09 -0.64 0.99 -1.01 -1.08 0.00 0.00 175.30 173.64 1f18 s HIS 80 N -3.85 3.38 0.28 5.89 3.76 -1.21 -4.67 115.29 118.87 1f18 s HIS 80 Ca 0.07 1.67 0.02 0.00 -0.15 0.00 0.00 55.06 56.67 1f18 s HIS 80 Cb -0.02 -2.98 0.61 0.00 1.11 0.00 0.00 32.58 31.30 1f18 s HIS 80 CO -0.03 -0.24 1.78 0.28 -0.85 0.00 0.00 174.74 175.68 1f18 h VAL 81 N 2.18 0.75 0.00 -0.90 2.07 -1.88 -2.06 116.25 116.41 1f18 h VAL 81 Ca -0.48 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1f18 h VAL 81 Cb 1.20 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1f18 h VAL 81 CO 0.62 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1f18 n GLY 82 N -1.33 -0.71 3.55 2.17 0.00 -0.78 -4.41 105.19 103.69 1f18 n GLY 82 Ca 0.20 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1f18 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f18 s ASP 83 N -1.94 5.69 0.36 1.61 1.01 -0.78 -1.01 116.67 121.62 1f18 s ASP 83 Ca 0.31 -0.05 0.07 0.00 0.71 0.00 0.00 52.55 53.59 1f18 s ASP 83 Cb 0.14 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.52 1f18 s ASP 83 CO 0.24 -2.12 0.47 -0.04 0.21 0.00 0.00 175.17 173.93 1f18 s MET 84 N 6.42 2.96 0.78 8.23 -1.94 -1.11 -4.39 119.30 130.25 1f18 s MET 84 Ca 0.52 -1.14 -0.12 0.00 -1.71 0.00 0.00 55.69 53.24 1f18 s MET 84 Cb -0.10 -2.74 0.07 0.00 2.01 0.00 0.00 34.83 34.06 1f18 s MET 84 CO 0.18 -0.04 1.13 -0.98 -0.01 0.00 0.00 175.02 175.30 1f18 s ARG 85 N -4.20 2.01 0.38 2.03 1.70 -1.26 -4.54 118.95 115.08 1f18 s ARG 85 Ca 0.47 1.43 -0.27 0.00 -0.47 0.00 0.00 55.73 56.89 1f18 s ARG 85 Cb -0.09 -1.85 -0.10 0.00 -0.57 0.00 0.00 34.95 32.34 1f18 s ARG 85 CO 0.31 -1.87 1.38 -0.80 -1.08 0.00 0.00 175.30 173.25 1f18 s ASN 86 N -2.77 6.38 -0.11 -2.89 0.01 -1.26 -4.16 114.94 110.15 1f18 s ASN 86 Ca 0.66 2.84 -0.16 0.00 -0.71 0.00 0.00 52.86 55.50 1f18 s ASN 86 Cb -0.22 -2.65 -0.05 0.00 0.41 0.00 0.00 41.25 38.74 1f18 s ASN 86 CO 0.51 -0.82 0.39 0.68 -1.51 0.00 0.00 177.10 176.35 1f18 s VAL 87 N -1.17 5.20 0.03 1.60 -7.23 0.15 -4.82 120.40 114.16 1f18 s VAL 87 Ca 0.54 0.77 -0.23 0.00 -1.81 0.00 0.00 61.98 61.26 1f18 s VAL 87 Cb -0.42 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 32.74 1f18 s VAL 87 CO 0.56 0.41 0.68 -0.54 -0.31 0.00 0.00 175.10 175.90 1f18 s LYS 88 N 0.17 4.41 -0.09 4.82 1.02 -1.26 -1.22 119.74 127.58 1f18 s LYS 88 Ca 0.22 0.91 -0.03 0.00 0.02 0.00 0.00 55.97 57.09 1f18 s LYS 88 Cb -0.15 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1f18 s LYS 88 CO 0.09 0.35 0.04 0.95 -0.92 0.00 0.00 175.35 175.85 1f18 s THR 89 N -0.22 4.61 0.00 2.17 -4.23 -0.02 -4.33 115.64 113.62 1f18 s THR 89 Ca 0.35 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1f18 s THR 89 Cb -0.20 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1f18 s THR 89 CO 0.20 0.61 0.00 -0.90 -0.54 0.00 0.00 174.62 173.99 1f18 n ASP 90 N 2.09 0.00 0.10 3.99 5.68 0.09 -2.24 116.55 126.25 1f18 n ASP 90 Ca -0.19 -0.48 0.11 0.00 -0.50 0.00 0.00 54.79 53.73 1f18 n ASP 90 Cb 0.54 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.97 1f18 n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1f18 n GLU 91 N -0.48 0.15 -0.19 0.11 0.00 -1.26 -0.27 120.64 118.69 1f18 n GLU 91 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 57.16 57.62 1f18 n GLU 91 Cb 0.00 -1.78 0.19 0.00 0.00 0.00 0.00 31.44 29.86 1f18 n GLU 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1f18 n ASN 92 N -2.06 3.22 -0.40 -1.84 3.02 -1.26 -4.80 115.26 111.14 1f18 n ASN 92 Ca 0.03 -1.92 -0.05 0.00 -0.03 0.00 0.00 54.58 52.60 1f18 n ASN 92 Cb 0.23 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1f18 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f18 n GLY 93 N 1.19 0.63 3.79 7.41 0.00 -0.87 -4.66 105.19 112.67 1f18 n GLY 93 Ca 0.17 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1f18 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f18 s VAL 94 N -2.19 5.43 -0.17 1.61 1.01 -1.26 -1.76 120.40 123.07 1f18 s VAL 94 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1f18 s VAL 94 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1f18 s VAL 94 CO 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 1f18 s ALA 95 N -0.19 2.63 -0.07 5.51 0.00 0.60 -0.73 121.76 129.50 1f18 s ALA 95 Ca 0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 1f18 s ALA 95 Cb -0.12 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.65 1f18 s ALA 95 CO 0.01 -0.12 0.16 0.21 0.00 0.00 0.00 175.76 176.02 1f18 s LYS 96 N 0.96 0.14 0.00 0.00 2.20 -1.26 -0.86 119.74 120.93 1f18 s LYS 96 Ca -0.02 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1f18 s LYS 96 Cb -0.15 -0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1f18 s LYS 96 CO -0.01 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1f18 n GLY 97 N 3.65 -1.27 3.51 5.54 0.00 -0.75 -4.99 105.19 110.88 1f18 n GLY 97 Ca -0.20 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1f18 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f18 s SER 98 N -4.00 -0.46 0.24 1.61 1.04 -1.26 -1.34 113.70 109.53 1f18 s SER 98 Ca 0.00 0.26 -0.20 0.00 0.48 0.00 0.00 55.95 56.49 1f18 s SER 98 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1f18 s SER 98 CO 0.00 -0.60 0.65 0.72 0.98 0.00 0.00 173.24 174.99 1f18 s PHE 99 N -2.27 -0.18 0.01 5.02 -0.12 -0.01 -4.99 117.98 115.44 1f18 s PHE 99 Ca -0.01 -0.21 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 1f18 s PHE 99 Cb -0.01 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1f18 s PHE 99 CO -0.03 -1.10 0.02 0.15 -0.05 0.00 0.00 175.22 174.21 1f18 s LYS 100 N -3.90 2.84 -0.05 1.99 1.02 -1.26 -0.82 119.74 119.56 1f18 s LYS 100 Ca 0.10 -0.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 1f18 s LYS 100 Cb -0.04 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1f18 s LYS 100 CO 0.02 0.62 0.14 0.34 -0.92 0.00 0.00 175.35 175.55 1f18 s ASP 101 N -1.66 -0.13 0.01 2.83 2.15 -0.20 -4.94 116.67 114.73 1f18 s ASP 101 Ca 0.21 0.28 0.24 0.00 0.43 0.00 0.00 52.55 53.70 1f18 s ASP 101 Cb -0.12 0.24 0.29 0.00 -0.30 0.00 0.00 42.92 43.04 1f18 s ASP 101 CO 0.12 -0.08 1.26 -1.20 -0.17 0.00 0.00 175.17 175.10 1f18 n SER 102 N 3.36 0.63 -0.06 -0.34 7.64 -1.26 -0.88 113.62 122.71 1f18 n SER 102 Ca -0.16 -0.39 -0.12 0.00 1.01 0.00 0.00 58.87 59.21 1f18 n SER 102 Cb 0.57 0.47 -0.14 0.00 -1.01 0.00 0.00 64.21 64.09 1f18 n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f18 n LEU 103 N -1.58 1.09 -4.71 -3.43 4.77 -1.26 -4.88 117.00 107.00 1f18 n LEU 103 Ca 0.05 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 1f18 n LEU 103 Cb 0.35 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1f18 n LEU 103 CO 0.37 0.56 0.81 -0.63 -1.33 0.00 0.00 177.39 177.18 1f18 s ILE 104 N -2.55 4.42 0.04 -0.08 1.01 -1.26 -4.98 121.20 117.81 1f18 s ILE 104 Ca -0.13 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.27 1f18 s ILE 104 Cb 0.07 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1f18 s ILE 104 CO 0.79 0.10 -0.05 -0.54 0.00 0.00 0.00 174.94 175.25 1f18 s LYS 105 N 1.30 0.50 0.00 2.79 1.02 -1.26 -4.07 119.74 120.01 1f18 s LYS 105 Ca 0.55 -0.86 0.14 0.00 0.02 0.00 0.00 55.97 55.82 1f18 s LYS 105 Cb -0.25 -0.03 0.17 0.00 -0.52 0.00 0.00 37.83 37.20 1f18 s LYS 105 CO 0.27 -0.03 1.02 1.28 -0.92 0.00 0.00 175.35 176.97 1f18 n LEU 106 N 1.08 2.38 -4.01 3.17 4.77 -1.26 -0.67 117.00 122.46 1f18 n LEU 106 Ca -0.20 -1.22 -0.15 0.00 -0.03 0.00 0.00 56.01 54.41 1f18 n LEU 106 Cb 0.57 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1f18 n LEU 106 CO 0.23 0.48 -0.41 -0.63 -1.33 0.00 0.00 177.39 175.73 1f18 s ILE 107 N -1.13 0.50 0.00 -0.08 1.01 -1.26 -4.81 121.20 115.44 1f18 s ILE 107 Ca 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1f18 s ILE 107 Cb 0.12 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1f18 s ILE 107 CO 0.18 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1f18 n GLY 108 N 2.34 -2.96 0.31 6.18 0.00 -1.26 -4.25 105.19 105.55 1f18 n GLY 108 Ca -0.17 -1.89 0.18 0.00 0.00 0.00 0.00 46.02 44.14 1f18 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f18 h PRO 109 N 0.00 0.00 -0.54 1.61 0.13 -2.00 -1.85 132.00 129.35 1f18 h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1f18 h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1f18 h PRO 109 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1f18 n THR 110 N -3.58 2.17 -1.66 1.56 -2.24 -1.26 -5.02 114.28 104.24 1f18 n THR 110 Ca -0.03 -1.37 -0.45 0.00 -2.27 0.00 0.00 64.05 59.93 1f18 n THR 110 Cb 0.08 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1f18 n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f18 n SER 111 N 0.64 2.42 -0.40 3.42 2.88 -0.70 -4.51 113.62 117.37 1f18 n SER 111 Ca 0.25 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 59.09 1f18 n SER 111 Cb 0.96 -1.40 0.59 0.00 -0.75 0.00 0.00 64.21 63.62 1f18 n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1f18 n VAL 112 N 1.35 0.01 -1.95 2.46 0.24 0.16 -4.88 118.33 115.72 1f18 n VAL 112 Ca 0.10 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 1f18 n VAL 112 Cb 0.32 0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 1f18 n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f18 s VAL 113 N -1.99 2.82 0.00 3.34 1.01 -1.26 -1.52 120.40 122.80 1f18 s VAL 113 Ca 0.39 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1f18 s VAL 113 Cb 0.21 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1f18 s VAL 113 CO 0.34 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1f18 n GLY 114 N 3.82 0.71 0.00 4.51 0.00 0.52 -5.02 105.19 109.72 1f18 n GLY 114 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1f18 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f18 n ARG 115 N -2.00 2.77 -4.19 1.61 1.74 -0.58 -2.27 116.66 113.74 1f18 n ARG 115 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1f18 n ARG 115 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1f18 n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1f18 s SER 116 N -0.81 1.53 -0.09 0.55 0.01 -1.02 -0.72 113.70 113.16 1f18 s SER 116 Ca 0.00 -0.84 0.01 0.00 1.31 0.00 0.00 55.95 56.43 1f18 s SER 116 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 1f18 s SER 116 CO 0.00 -0.27 -0.11 -0.69 0.41 0.00 0.00 173.24 172.59 1f18 s VAL 117 N -2.55 3.33 -0.07 3.43 1.01 0.14 -0.34 120.40 125.35 1f18 s VAL 117 Ca 0.07 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1f18 s VAL 117 Cb -0.02 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1f18 s VAL 117 CO 0.00 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 1f18 s VAL 118 N -0.34 1.38 -0.19 2.92 1.01 -0.30 -1.49 120.40 123.39 1f18 s VAL 118 Ca 0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1f18 s VAL 118 Cb -0.13 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1f18 s VAL 118 CO 0.02 0.41 0.06 -0.51 0.00 0.00 0.00 175.10 175.08 1f18 s ILE 119 N 0.54 4.65 0.35 2.22 1.10 -0.83 -1.74 121.20 127.48 1f18 s ILE 119 Ca -0.15 -0.08 -0.00 0.00 -0.51 0.00 0.00 60.65 59.91 1f18 s ILE 119 Cb -0.16 -3.11 -0.03 0.00 0.15 0.00 0.00 42.46 39.31 1f18 s ILE 119 CO 0.05 0.44 0.56 -1.00 -2.11 0.00 0.00 174.94 172.88 1f18 s HIS 120 N 0.56 3.50 -0.56 3.50 3.76 0.19 -3.28 115.29 122.97 1f18 s HIS 120 Ca 0.03 0.38 0.24 0.00 -0.15 0.00 0.00 55.06 55.56 1f18 s HIS 120 Cb -0.13 -1.92 0.45 0.00 1.11 0.00 0.00 32.58 32.09 1f18 s HIS 120 CO 0.01 0.11 1.52 0.00 -0.85 0.00 0.00 174.74 175.53 1f18 h ALA 121 N 0.80 0.83 -1.65 -1.40 0.00 -1.16 -3.40 119.26 113.28 1f18 h ALA 121 Ca -0.49 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 1f18 h ALA 121 Cb 1.22 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1f18 h ALA 121 CO 0.62 0.00 -0.60 0.20 0.00 0.00 0.00 179.25 179.47 1f18 s GLY 122 N -3.89 2.47 0.28 0.00 0.00 -0.01 -4.95 107.32 101.21 1f18 s GLY 122 Ca 0.07 -2.16 -0.28 0.00 0.00 0.00 0.00 44.72 42.35 1f18 s GLY 122 CO 0.67 -2.06 0.98 1.62 0.00 0.00 0.00 173.10 174.32 1f18 s GLN 123 N -3.75 4.69 -0.20 2.90 0.74 -1.20 -1.10 119.66 121.73 1f18 s GLN 123 Ca 0.34 1.50 -0.21 0.00 0.05 0.00 0.00 55.36 57.03 1f18 s GLN 123 Cb 0.09 -3.07 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 1f18 s GLN 123 CO 0.17 0.34 0.66 0.34 -0.55 0.00 0.00 175.29 176.25 1f18 s ASP 124 N -1.28 6.72 0.00 6.67 -1.08 -1.26 -3.91 116.67 122.52 1f18 s ASP 124 Ca 0.46 0.88 0.10 0.00 -0.52 0.00 0.00 52.55 53.46 1f18 s ASP 124 Cb -0.25 -2.36 0.61 0.00 -1.46 0.00 0.00 42.92 39.46 1f18 s ASP 124 CO 0.31 -0.31 1.34 -0.90 0.52 0.00 0.00 175.17 176.13 1f18 n ASP 125 N 5.16 0.00 -2.07 -0.34 5.68 0.69 -4.90 116.55 120.77 1f18 n ASP 125 Ca -0.00 -1.54 -0.18 0.00 -0.50 0.00 0.00 54.79 52.56 1f18 n ASP 125 Cb 0.49 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1f18 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f18 n LEU 126 N -0.67 -1.55 0.00 -2.12 4.77 -1.26 -1.22 117.00 114.94 1f18 n LEU 126 Ca 0.08 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1f18 n LEU 126 Cb 0.04 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 1f18 n LEU 126 CO 0.06 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1f18 n GLY 127 N -0.71 0.50 1.26 -0.72 0.00 -1.25 -3.14 105.19 101.12 1f18 n GLY 127 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1f18 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f18 n LYS 128 N -2.88 2.59 -1.86 1.61 4.01 -0.36 -4.66 118.16 116.60 1f18 n LYS 128 Ca 0.00 -2.46 -0.30 0.00 -0.51 0.00 0.00 58.31 55.05 1f18 n LYS 128 Cb 0.01 -1.54 0.07 0.00 -0.51 0.00 0.00 35.03 33.07 1f18 n LYS 128 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1f18 s GLY 129 N -1.08 1.61 -0.23 0.72 0.00 -1.26 -4.96 107.32 102.12 1f18 s GLY 129 Ca 0.45 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1f18 s GLY 129 CO 0.32 -0.04 1.53 1.34 0.00 0.00 0.00 173.10 176.24 1f18 n ASP 130 N -3.19 3.83 -4.28 1.64 -0.08 -1.26 -4.84 116.55 108.38 1f18 n ASP 130 Ca 0.07 -2.82 -0.15 0.00 -1.51 0.00 0.00 54.79 50.38 1f18 n ASP 130 Cb 0.59 -0.72 -0.10 0.00 2.34 0.00 0.00 41.12 43.22 1f18 n ASP 130 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1f18 s THR 131 N -1.70 1.01 0.31 5.18 -4.23 -1.26 -5.02 115.64 109.92 1f18 s THR 131 Ca 0.28 -2.03 0.09 0.00 -1.18 0.00 0.00 61.69 58.84 1f18 s THR 131 Cb 0.23 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 72.01 1f18 s THR 131 CO 0.04 -0.52 1.71 -0.33 -0.54 0.00 0.00 174.62 174.98 1f18 h GLU 132 N 2.64 0.14 0.00 3.99 3.07 -2.01 -2.77 114.58 119.65 1f18 h GLU 132 Ca -0.37 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 1f18 h GLU 132 Cb 1.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1f18 h GLU 132 CO 0.64 0.57 -0.21 1.49 -1.40 0.00 0.00 179.01 180.09 1f18 h GLU 133 N 0.12 0.00 -0.71 2.33 4.57 -1.96 -2.02 114.58 116.90 1f18 h GLU 133 Ca 0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1f18 h GLU 133 Cb 0.84 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1f18 h GLU 133 CO 0.06 0.21 0.32 1.03 -1.18 0.00 0.00 179.01 179.46 1f18 h SER 134 N 0.00 0.93 0.00 1.04 0.87 -1.81 -0.93 113.55 113.65 1f18 h SER 134 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1f18 h SER 134 Cb 0.38 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1f18 h SER 134 CO 0.03 0.80 0.00 0.18 -0.53 0.00 0.00 176.83 177.31 1f18 n LEU 135 N -4.32 0.00 -0.06 2.23 4.77 -0.76 -1.88 117.00 116.98 1f18 n LEU 135 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1f18 n LEU 135 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1f18 n LEU 135 CO 0.39 0.00 -0.91 0.29 -1.33 0.00 0.00 177.39 175.83 1f18 n LYS 136 N -0.98 0.26 0.00 3.23 5.02 -0.76 -0.92 118.16 124.01 1f18 n LYS 136 Ca 0.23 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1f18 n LYS 136 Cb 0.10 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1f18 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1f18 n THR 137 N -3.40 0.00 -1.12 -0.18 -2.24 -0.43 -4.72 114.28 102.19 1f18 n THR 137 Ca -0.23 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.19 1f18 n THR 137 Cb 0.68 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 1f18 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f18 n GLY 138 N 0.55 0.68 3.40 3.38 0.00 -0.79 -3.32 105.19 109.10 1f18 n GLY 138 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1f18 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f18 n ASN 139 N 0.54 -4.03 0.12 1.61 3.02 -1.25 -0.22 115.26 115.04 1f18 n ASN 139 Ca -0.04 -0.43 0.12 0.00 -0.03 0.00 0.00 54.58 54.19 1f18 n ASN 139 Cb 0.19 -3.31 0.48 0.00 -0.61 0.00 0.00 39.78 36.53 1f18 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f18 n ALA 140 N -3.64 1.66 -0.07 5.41 0.00 -1.21 -4.66 120.51 118.01 1f18 n ALA 140 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1f18 n ALA 140 Cb 0.55 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1f18 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f18 n GLY 141 N 0.00 -0.66 3.50 0.00 0.00 -1.26 -0.83 105.19 105.93 1f18 n GLY 141 Ca 0.02 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1f18 n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f18 n PRO 142 N 0.00 -1.30 -3.84 1.61 -0.02 -1.26 -4.70 135.00 125.49 1f18 n PRO 142 Ca 0.00 -0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 60.84 1f18 n PRO 142 Cb 0.00 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.25 1f18 n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f18 s ARG 143 N -4.21 2.56 0.50 -0.52 0.52 -1.26 -0.95 118.95 115.58 1f18 s ARG 143 Ca 0.64 -3.16 0.20 0.00 -0.52 0.00 0.00 55.73 52.89 1f18 s ARG 143 Cb -0.22 -3.54 1.28 0.00 0.52 0.00 0.00 34.95 33.00 1f18 s ARG 143 CO 0.63 -1.24 2.08 -1.00 0.02 0.00 0.00 175.30 175.79 1f18 h PRO 144 N 5.82 0.00 -3.16 3.54 0.13 -1.88 -3.44 132.00 133.01 1f18 h PRO 144 Ca 0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 1f18 h PRO 144 Cb 0.80 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.78 1f18 h PRO 144 CO 0.74 0.11 -0.08 0.00 -0.23 0.00 0.00 178.00 178.54 1f18 s ALA 145 N -4.61 -1.00 0.16 -0.56 0.00 -1.24 -3.98 121.76 110.53 1f18 s ALA 145 Ca -0.04 0.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 1f18 s ALA 145 Cb 0.15 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.82 1f18 s ALA 145 CO 0.64 -0.54 0.78 0.00 0.00 0.00 0.00 175.76 176.65 1f18 s GLY 147 N -2.79 -0.49 0.19 0.00 0.00 -0.56 -1.85 107.32 101.82 1f18 s GLY 147 Ca 0.07 1.66 -0.30 0.00 0.00 0.00 0.00 44.72 46.15 1f18 s GLY 147 CO -0.03 1.38 1.05 0.14 0.00 0.00 0.00 173.10 175.64 1f18 s VAL 148 N -0.06 3.96 -0.39 1.40 1.01 -1.26 -0.69 120.40 124.36 1f18 s VAL 148 Ca -0.03 1.76 -0.26 0.00 0.00 0.00 0.00 61.98 63.45 1f18 s VAL 148 Cb -0.04 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1f18 s VAL 148 CO 0.03 0.34 0.94 -0.63 0.00 0.00 0.00 175.10 175.77 1f18 s ILE 149 N -0.50 4.54 0.31 2.22 1.01 0.10 -4.35 121.20 124.53 1f18 s ILE 149 Ca 0.47 1.09 0.09 0.00 0.00 0.00 0.00 60.65 62.30 1f18 s ILE 149 Cb -0.28 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 1f18 s ILE 149 CO 0.34 -0.63 0.03 -0.83 0.00 0.00 0.00 174.94 173.86 1f18 s GLY 150 N 1.99 1.86 0.25 6.18 0.00 -0.31 -0.36 107.32 116.94 1f18 s GLY 150 Ca 0.38 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 1f18 s GLY 150 CO 0.21 -1.79 0.98 1.08 0.00 0.00 0.00 173.10 173.58 1f18 s LEU 151 N -3.73 4.61 0.00 0.66 1.43 -1.26 -0.99 118.68 119.40 1f18 s LEU 151 Ca 0.34 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1f18 s LEU 151 Cb -0.03 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 1f18 s LEU 151 CO 0.20 0.07 0.03 1.07 0.23 0.00 0.00 176.35 177.96 1f18 n THR 152 N 1.37 0.00 -1.46 5.49 5.66 -0.55 -4.86 114.28 119.93 1f18 n THR 152 Ca -0.02 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1f18 n THR 152 Cb 0.47 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1f18 n THR 152 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56