#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a20 s LEU 2 N 0.00 4.38 0.71 3.17 1.43 -1.26 -4.86 118.68 122.26 3a20 s LEU 2 Ca 0.00 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 3a20 s LEU 2 Cb 0.00 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.69 3a20 s LEU 2 CO 0.00 -0.96 1.08 -2.16 0.23 0.00 0.00 176.35 174.54 3a20 s PRO 3 N 3.24 2.79 0.32 1.29 0.04 -1.26 -4.96 135.00 136.47 3a20 s PRO 3 Ca 0.79 0.59 0.04 0.00 0.04 0.00 0.00 61.00 62.46 3a20 s PRO 3 Cb -0.41 -2.00 0.65 0.00 0.04 0.00 0.00 34.50 32.77 3a20 s PRO 3 CO 0.35 -1.11 1.88 0.78 0.04 0.00 0.00 177.00 178.94 3a20 h GLY 4 N -0.71 1.35 1.57 0.56 0.00 -2.00 -1.11 103.07 102.73 3a20 h GLY 4 Ca -0.45 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.52 3a20 h GLY 4 CO 0.62 0.18 0.25 -0.84 0.00 0.00 0.00 176.54 176.75 3a20 h THR 5 N 0.89 1.06 -0.54 4.70 2.02 -1.99 -1.23 112.91 117.81 3a20 h THR 5 Ca 0.44 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.39 3a20 h THR 5 Cb 0.46 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3a20 h THR 5 CO -0.20 0.08 0.06 0.15 0.37 0.00 0.00 175.52 175.99 3a20 h PHE 6 N 0.45 0.98 0.00 3.16 3.04 -1.57 -1.75 116.94 121.25 3a20 h PHE 6 Ca 0.15 -0.15 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 3a20 h PHE 6 Cb 0.04 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.27 3a20 h PHE 6 CO -0.00 0.88 -0.34 0.74 -2.02 0.00 0.00 178.31 177.57 3a20 h PHE 7 N 0.80 0.00 -0.47 0.41 0.04 -1.16 -2.19 116.94 114.36 3a20 h PHE 7 Ca 0.16 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.80 3a20 h PHE 7 Cb 0.45 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3a20 h PHE 7 CO 0.03 0.34 -0.23 0.93 -0.60 0.00 0.00 178.31 178.78 3a20 h GLU 8 N 0.00 0.97 -0.91 1.51 4.39 -0.88 -2.77 114.58 116.90 3a20 h GLU 8 Ca -0.00 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 3a20 h GLU 8 Cb 0.68 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 3a20 h GLU 8 CO 0.04 1.09 0.56 0.28 -1.16 0.00 0.00 179.01 179.83 3a20 h VAL 9 N 0.83 1.25 0.00 3.13 2.07 -0.75 -2.05 116.25 120.73 3a20 h VAL 9 Ca 0.10 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3a20 h VAL 9 Cb 0.81 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3a20 h VAL 9 CO 0.07 0.26 0.00 0.18 0.02 0.00 0.00 177.57 178.09 3a20 n LEU 10 N -4.40 0.50 -0.02 2.57 4.77 -0.89 -1.26 117.00 118.27 3a20 n LEU 10 Ca 0.10 0.68 0.14 0.00 -0.03 0.00 0.00 56.01 56.90 3a20 n LEU 10 Cb 0.05 -0.67 0.69 0.00 -2.33 0.00 0.00 43.42 41.16 3a20 n LEU 10 CO 0.38 -0.70 0.96 0.29 -1.33 0.00 0.00 177.39 176.99 3a20 n LYS 11 N -2.12 0.40 -4.38 3.23 5.02 -0.77 -4.64 118.16 114.91 3a20 n LYS 11 Ca 0.00 -0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 3a20 n LYS 11 Cb 0.12 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 3a20 n LYS 11 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3a20 s ASN 12 N -2.63 3.43 0.57 4.39 0.01 -0.39 -5.11 114.94 115.21 3a20 s ASN 12 Ca 0.26 -0.73 -0.14 0.00 -0.71 0.00 0.00 52.86 51.54 3a20 s ASN 12 Cb 0.20 -0.28 -0.06 0.00 0.41 0.00 0.00 41.25 41.53 3a20 s ASN 12 CO 0.48 0.17 1.01 -0.70 -1.51 0.00 0.00 177.10 176.56 3a20 s GLU 13 N -2.14 3.71 0.00 -0.60 2.56 -1.26 -4.56 118.70 116.40 3a20 s GLU 13 Ca 0.15 0.88 0.00 0.00 0.00 0.00 0.00 54.97 56.01 3a20 s GLU 13 Cb -0.10 -2.10 0.00 0.00 2.00 0.00 0.00 34.13 33.93 3a20 s GLU 13 CO 0.07 -0.47 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 3a20 n GLY 14 N -2.07 0.16 3.64 -1.50 0.00 -1.26 -4.91 105.19 99.26 3a20 n GLY 14 Ca 0.06 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 3a20 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a20 s VAL 15 N -2.00 5.28 -0.04 1.61 1.01 -1.26 -0.98 120.40 124.02 3a20 s VAL 15 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 3a20 s VAL 15 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3a20 s VAL 15 CO 0.00 0.27 0.32 -0.69 0.00 0.00 0.00 175.10 175.00 3a20 s VAL 16 N 1.41 5.19 -0.06 2.92 1.01 0.05 -4.65 120.40 126.27 3a20 s VAL 16 Ca 0.11 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.77 3a20 s VAL 16 Cb -0.15 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3a20 s VAL 16 CO 0.07 0.58 -0.25 0.00 0.00 0.00 0.00 175.10 175.51 3a20 s ALA 17 N -1.07 2.15 -0.15 5.51 0.00 -0.46 -1.89 121.76 125.83 3a20 s ALA 17 Ca 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3a20 s ALA 17 Cb -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.31 3a20 s ALA 17 CO 0.10 0.40 -0.14 0.42 0.00 0.00 0.00 175.76 176.55 3a20 s ILE 18 N -0.09 1.58 -0.11 0.00 1.09 0.28 -1.26 121.20 122.69 3a20 s ILE 18 Ca -0.06 -0.68 -0.03 0.00 -1.10 0.00 0.00 60.65 58.79 3a20 s ILE 18 Cb -0.14 -1.50 -0.03 0.00 -1.06 0.00 0.00 42.46 39.72 3a20 s ILE 18 CO 0.04 0.42 0.01 0.00 -0.10 0.00 0.00 174.94 175.32 3a20 s ALA 19 N 1.48 3.30 0.27 9.38 0.00 0.57 -1.57 121.76 135.19 3a20 s ALA 19 Ca 0.04 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.25 3a20 s ALA 19 Cb -0.13 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.37 3a20 s ALA 19 CO -0.10 0.51 0.02 0.95 0.00 0.00 0.00 175.76 177.13 3a20 s THR 20 N -0.62 1.12 -0.29 0.00 -4.23 -0.56 -1.85 115.64 109.21 3a20 s THR 20 Ca 0.10 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 58.41 3a20 s THR 20 Cb -0.12 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 3a20 s THR 20 CO 0.02 -0.18 0.51 -1.58 -0.54 0.00 0.00 174.62 172.85 3a20 s GLN 21 N -3.87 3.95 0.61 3.99 2.00 -1.26 -1.11 119.66 123.96 3a20 s GLN 21 Ca 0.32 0.18 0.06 0.00 -2.00 0.00 0.00 55.36 53.92 3a20 s GLN 21 Cb 0.07 -3.69 0.09 0.00 0.80 0.00 0.00 33.01 30.28 3a20 s GLN 21 CO 0.12 -0.43 0.84 0.20 -0.50 0.00 0.00 175.29 175.52 3a20 s GLY 22 N 1.62 1.75 0.29 2.59 0.00 0.34 -4.72 107.32 109.20 3a20 s GLY 22 Ca 0.20 -1.99 0.03 0.00 0.00 0.00 0.00 44.72 42.97 3a20 s GLY 22 CO 0.10 -1.51 1.74 0.83 0.00 0.00 0.00 173.10 174.27 3a20 h GLU 23 N -0.01 0.44 -1.68 2.90 5.08 -1.97 -3.30 114.58 116.05 3a20 h GLU 23 Ca -0.32 -0.16 -0.50 0.00 -1.00 0.00 0.00 59.36 57.37 3a20 h GLU 23 Cb 1.28 -0.03 -0.41 0.00 0.50 0.00 0.00 28.75 30.09 3a20 h GLU 23 CO 0.41 0.66 -0.94 -3.47 -1.00 0.00 0.00 179.01 174.66 3a20 n ASP 24 N -4.13 2.89 0.00 1.42 2.03 -1.26 -5.08 116.55 112.41 3a20 n ASP 24 Ca -0.00 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 52.03 3a20 n ASP 24 Cb 0.39 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 3a20 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a20 n GLY 25 N -0.14 1.10 3.83 0.27 0.00 -1.25 -5.08 105.19 103.93 3a20 n GLY 25 Ca 0.26 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 3a20 n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a20 s PRO 26 N -1.14 2.31 0.09 1.61 0.04 -1.26 -0.50 135.00 136.15 3a20 s PRO 26 Ca 0.00 0.60 0.07 0.00 0.04 0.00 0.00 61.00 61.71 3a20 s PRO 26 Cb 0.00 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 3a20 s PRO 26 CO 0.00 -1.45 -0.19 -1.58 0.04 0.00 0.00 177.00 173.82 3a20 s HIS 27 N -3.21 1.62 -0.04 0.56 2.46 -0.27 -4.68 115.29 111.73 3a20 s HIS 27 Ca 0.60 -0.43 -0.02 0.00 0.47 0.00 0.00 55.06 55.69 3a20 s HIS 27 Cb -0.13 -0.90 0.03 0.00 -0.13 0.00 0.00 32.58 31.45 3a20 s HIS 27 CO 0.54 0.16 0.08 -1.17 -2.47 0.00 0.00 174.74 171.87 3a20 s LEU 28 N -1.84 0.61 0.36 8.88 2.96 -1.26 -1.50 118.68 126.89 3a20 s LEU 28 Ca 0.04 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3a20 s LEU 28 Cb -0.10 0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 3a20 s LEU 28 CO 0.04 -0.18 0.13 0.68 -1.32 0.00 0.00 176.35 175.69 3a20 s VAL 29 N 1.54 0.63 0.28 1.68 -7.23 -0.61 -4.96 120.40 111.73 3a20 s VAL 29 Ca -0.04 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3a20 s VAL 29 Cb -0.12 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 3a20 s VAL 29 CO -0.04 0.00 0.10 0.20 -0.31 0.00 0.00 175.10 175.06 3a20 s ASN 30 N -3.52 1.42 0.13 4.85 -0.87 -1.26 -0.56 114.94 115.13 3a20 s ASN 30 Ca 0.30 -1.42 -0.04 0.00 -1.57 0.00 0.00 52.86 50.13 3a20 s ASN 30 Cb 0.04 0.19 0.01 0.00 -0.02 0.00 0.00 41.25 41.48 3a20 s ASN 30 CO 0.16 -0.75 0.23 1.07 -2.57 0.00 0.00 177.10 175.23 3a20 n THR 31 N -0.52 0.00 -4.21 1.60 5.66 -0.79 -4.97 114.28 111.04 3a20 n THR 31 Ca -0.00 -0.40 -0.29 0.00 -3.05 0.00 0.00 64.05 60.30 3a20 n THR 31 Cb 0.66 0.33 -0.09 0.00 -1.55 0.00 0.00 70.33 69.68 3a20 n THR 31 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3a20 s TRP 32 N -6.09 2.77 0.23 1.09 0.52 -1.26 -0.77 118.94 115.43 3a20 s TRP 32 Ca 0.06 -0.14 -0.07 0.00 0.02 0.00 0.00 56.10 55.97 3a20 s TRP 32 Cb -0.01 -1.43 0.37 0.00 -1.15 0.00 0.00 33.47 31.24 3a20 s TRP 32 CO 0.05 0.44 1.74 -0.91 0.02 0.00 0.00 176.95 178.29 3a20 h ASN 33 N 3.51 0.28 0.49 2.95 4.21 -1.36 -0.89 115.58 124.78 3a20 h ASN 33 Ca -0.49 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.11 3a20 h ASN 33 Cb 1.17 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 3a20 h ASN 33 CO 0.53 0.14 0.00 -1.54 -1.29 0.00 0.00 177.43 175.27 3a20 n SER 34 N -4.98 0.50 0.08 5.81 3.41 -1.26 -2.53 113.62 114.66 3a20 n SER 34 Ca 0.12 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 3a20 n SER 34 Cb 0.34 -0.75 0.07 0.00 -0.26 0.00 0.00 64.21 63.61 3a20 n SER 34 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3a20 h TYR 35 N 0.00 0.00 -3.39 7.33 0.99 -1.56 -3.47 116.97 116.88 3a20 h TYR 35 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 3a20 h TYR 35 Cb 0.25 0.00 0.04 0.00 1.00 0.00 0.00 36.73 38.02 3a20 h TYR 35 CO 0.00 0.00 0.69 -0.51 -0.00 0.00 0.00 178.16 178.34 3a20 s LEU 36 N -4.84 4.41 -0.20 3.88 1.43 -1.05 -4.58 118.68 117.72 3a20 s LEU 36 Ca 0.03 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 3a20 s LEU 36 Cb 0.11 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.75 3a20 s LEU 36 CO 0.76 -0.59 -0.17 -0.75 0.23 0.00 0.00 176.35 175.84 3a20 s LYS 37 N -0.22 2.70 -0.21 1.70 2.47 -0.73 -4.96 119.74 120.49 3a20 s LYS 37 Ca 0.58 -0.93 -0.12 0.00 -1.56 0.00 0.00 55.97 53.94 3a20 s LYS 37 Cb -0.38 -2.60 -0.05 0.00 -1.46 0.00 0.00 37.83 33.34 3a20 s LYS 37 CO 0.40 -0.31 0.21 0.08 0.16 0.00 0.00 175.35 175.89 3a20 s VAL 38 N 1.27 5.34 0.25 4.02 1.01 -1.26 -0.06 120.40 130.98 3a20 s VAL 38 Ca 0.01 0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.41 3a20 s VAL 38 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3a20 s VAL 38 CO -0.11 0.37 -0.07 -0.76 0.00 0.00 0.00 175.10 174.54 3a20 s LEU 39 N 0.77 3.01 0.69 3.92 1.43 0.47 -5.01 118.68 123.96 3a20 s LEU 39 Ca 0.11 -0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 3a20 s LEU 39 Cb -0.13 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3a20 s LEU 39 CO 0.03 0.03 1.18 -0.90 0.23 0.00 0.00 176.35 176.92 3a20 n ASP 40 N -0.66 1.43 0.00 2.29 5.75 -1.26 -2.35 116.55 121.75 3a20 n ASP 40 Ca -0.07 0.75 0.00 0.00 -0.01 0.00 0.00 54.79 55.46 3a20 n ASP 40 Cb 0.59 -1.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 3a20 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a20 n GLY 41 N 0.93 0.78 3.42 6.12 0.00 -1.26 -4.28 105.19 110.89 3a20 n GLY 41 Ca 0.15 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 3a20 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a20 n ASN 42 N 0.78 -4.63 -4.44 1.61 3.02 -1.22 -4.78 115.26 105.59 3a20 n ASN 42 Ca 0.00 -0.54 -0.33 0.00 -0.03 0.00 0.00 54.58 53.68 3a20 n ASN 42 Cb 0.01 -4.82 -0.13 0.00 -0.61 0.00 0.00 39.78 34.22 3a20 n ASN 42 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3a20 s ARG 43 N -5.89 3.54 -0.19 3.52 0.52 -0.99 -0.55 118.95 118.91 3a20 s ARG 43 Ca 0.35 -0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 54.94 3a20 s ARG 43 Cb -0.15 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 3a20 s ARG 43 CO 0.69 0.21 -0.08 0.42 0.02 0.00 0.00 175.30 176.56 3a20 s ILE 44 N 0.42 3.20 -0.13 1.52 1.01 -0.04 -0.39 121.20 126.78 3a20 s ILE 44 Ca -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3a20 s ILE 44 Cb -0.15 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 3a20 s ILE 44 CO 0.04 0.47 -0.03 -0.69 0.00 0.00 0.00 174.94 174.72 3a20 s VAL 45 N 1.07 3.95 -0.06 2.92 1.01 0.91 -0.56 120.40 129.64 3a20 s VAL 45 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3a20 s VAL 45 Cb -0.15 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3a20 s VAL 45 CO -0.01 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 174.69 3a20 s VAL 46 N -0.04 2.13 -0.00 2.92 1.01 0.39 -1.78 120.40 125.03 3a20 s VAL 46 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3a20 s VAL 46 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3a20 s VAL 46 CO 0.03 0.57 1.18 -2.16 0.00 0.00 0.00 175.10 174.72 3a20 s PRO 47 N -0.15 4.40 -0.26 2.72 0.04 -1.26 -0.56 135.00 139.93 3a20 s PRO 47 Ca -0.04 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 3a20 s PRO 47 Cb -0.14 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 3a20 s PRO 47 CO 0.04 -0.34 0.11 0.08 0.04 0.00 0.00 177.00 176.93 3a20 s VAL 48 N 1.66 4.69 -0.06 -0.36 1.01 -0.21 -4.90 120.40 122.22 3a20 s VAL 48 Ca 0.57 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 3a20 s VAL 48 Cb -0.26 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3a20 s VAL 48 CO 0.25 0.32 -0.18 0.61 0.00 0.00 0.00 175.10 176.10 3a20 n GLY 49 N 4.88 -0.29 0.00 4.51 0.00 -1.26 0.19 105.19 113.21 3a20 n GLY 49 Ca -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3a20 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a20 n GLY 50 N 2.39 0.29 3.19 -0.02 0.00 -1.26 -4.70 105.19 105.08 3a20 n GLY 50 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 3a20 n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a20 n MET 51 N 0.00 -3.01 -0.10 1.61 2.00 -1.26 -4.86 117.12 111.50 3a20 n MET 51 Ca 0.00 0.43 -0.14 0.00 0.00 0.00 0.00 57.70 57.98 3a20 n MET 51 Cb 0.00 -5.09 -0.03 0.00 0.00 0.00 0.00 33.22 28.10 3a20 n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3a20 h HIS 52 N -0.71 1.12 -0.39 2.03 3.86 -1.99 0.25 115.15 119.33 3a20 h HIS 52 Ca -0.37 -0.37 -0.13 0.00 -1.16 0.00 0.00 60.37 58.34 3a20 h HIS 52 Cb 1.25 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 3a20 h HIS 52 CO 0.70 1.21 -0.26 -0.22 0.86 0.00 0.00 177.93 180.22 3a20 h LYS 53 N 0.72 0.86 -0.76 2.45 3.64 -2.00 -1.96 116.57 119.53 3a20 h LYS 53 Ca 0.03 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3a20 h LYS 53 Cb 1.08 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 3a20 h LYS 53 CO 0.11 1.05 0.48 1.15 -2.27 0.00 0.00 179.45 179.98 3a20 h THR 54 N 0.67 1.20 -0.54 1.00 2.02 -1.93 -1.05 112.91 114.29 3a20 h THR 54 Ca 0.08 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 3a20 h THR 54 Cb 0.83 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3a20 h THR 54 CO 0.07 0.20 0.03 -0.08 0.37 0.00 0.00 175.52 176.11 3a20 h GLU 55 N 1.03 0.89 -0.64 6.66 4.81 -0.77 -0.98 114.58 125.58 3a20 h GLU 55 Ca 0.28 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 3a20 h GLU 55 Cb -0.09 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3a20 h GLU 55 CO -0.06 0.87 0.12 0.00 -0.73 0.00 0.00 179.01 179.21 3a20 h ALA 56 N 1.20 0.85 -0.52 2.92 0.00 -0.84 -1.96 119.26 120.91 3a20 h ALA 56 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3a20 h ALA 56 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3a20 h ALA 56 CO 0.02 0.60 0.13 -0.91 0.00 0.00 0.00 179.25 179.09 3a20 h ASN 57 N 0.96 0.78 -0.17 0.00 2.35 -0.80 -2.66 115.58 116.04 3a20 h ASN 57 Ca 0.20 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3a20 h ASN 57 Cb 0.42 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3a20 h ASN 57 CO 0.01 0.81 0.05 0.58 -1.65 0.00 0.00 177.43 177.22 3a20 h VAL 58 N 0.72 1.13 -0.04 2.81 2.07 -0.96 0.01 116.25 122.00 3a20 h VAL 58 Ca 0.16 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3a20 h VAL 58 Cb 0.33 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3a20 h VAL 58 CO 0.00 0.16 -0.16 0.00 0.02 0.00 0.00 177.57 177.60 3a20 h ALA 59 N 1.71 1.67 0.00 1.67 0.00 -1.00 -2.68 119.26 120.62 3a20 h ALA 59 Ca 0.08 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 3a20 h ALA 59 Cb 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3a20 h ALA 59 CO -0.00 0.25 -1.69 0.54 0.00 0.00 0.00 179.25 178.34 3a20 n ARG 60 N -4.32 0.63 -3.31 0.00 1.74 -0.61 -4.82 116.66 105.97 3a20 n ARG 60 Ca -0.02 0.27 -0.07 0.00 -0.77 0.00 0.00 57.85 57.25 3a20 n ARG 60 Cb 0.24 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 3a20 n ARG 60 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a20 s ASP 61 N -6.00 0.09 0.19 0.55 3.68 -0.11 -5.03 116.67 110.04 3a20 s ASP 61 Ca -0.05 0.10 0.20 0.00 2.13 0.00 0.00 52.55 54.94 3a20 s ASP 61 Cb 0.08 1.24 0.88 0.00 -1.45 0.00 0.00 42.92 43.66 3a20 s ASP 61 CO 0.82 -0.31 1.62 -1.84 0.13 0.00 0.00 175.17 175.59 3a20 n GLU 62 N 5.37 0.14 -2.34 4.34 0.28 -1.04 -3.98 120.64 123.40 3a20 n GLU 62 Ca -0.02 0.41 -0.42 0.00 -0.16 0.00 0.00 57.16 56.97 3a20 n GLU 62 Cb 0.50 -1.78 -0.03 0.00 1.43 0.00 0.00 31.44 31.56 3a20 n GLU 62 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3a20 s ARG 63 N -3.25 4.37 0.17 3.44 0.52 -1.26 -0.18 118.95 122.76 3a20 s ARG 63 Ca 0.04 1.84 0.02 0.00 -0.52 0.00 0.00 55.73 57.11 3a20 s ARG 63 Cb 0.09 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 3a20 s ARG 63 CO 0.33 -0.39 0.01 0.14 0.02 0.00 0.00 175.30 175.41 3a20 s VAL 64 N 1.55 0.63 0.04 3.52 -7.23 -0.43 -4.54 120.40 113.95 3a20 s VAL 64 Ca 0.60 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.86 3a20 s VAL 64 Cb -0.30 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 3a20 s VAL 64 CO 0.27 -0.45 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.67 3a20 s LEU 65 N -3.17 2.17 -0.01 1.32 1.43 -0.77 -2.49 118.68 117.17 3a20 s LEU 65 Ca 0.25 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3a20 s LEU 65 Cb 0.06 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.42 3a20 s LEU 65 CO 0.04 0.12 -0.00 -0.32 0.23 0.00 0.00 176.35 176.42 3a20 s MET 66 N -1.19 0.11 0.08 1.70 -2.45 0.40 -0.32 119.30 117.64 3a20 s MET 66 Ca 0.06 0.01 0.06 0.00 -1.25 0.00 0.00 55.69 54.57 3a20 s MET 66 Cb -0.09 -0.18 -0.03 0.00 1.25 0.00 0.00 34.83 35.79 3a20 s MET 66 CO 0.02 -0.02 -0.17 0.95 1.05 0.00 0.00 175.02 176.85 3a20 s THR 67 N 0.28 1.33 0.10 10.11 -4.23 -0.39 0.65 115.64 123.51 3a20 s THR 67 Ca -0.02 -1.38 -0.26 0.00 -1.18 0.00 0.00 61.69 58.85 3a20 s THR 67 Cb -0.04 -1.25 0.08 0.00 1.34 0.00 0.00 72.50 72.63 3a20 s THR 67 CO -0.01 -0.16 0.81 -1.48 -0.54 0.00 0.00 174.62 173.24 3a20 s LEU 68 N -1.78 -0.37 0.00 4.79 2.34 -1.12 -1.36 118.68 121.18 3a20 s LEU 68 Ca 0.01 -0.16 -0.06 0.00 0.06 0.00 0.00 54.13 53.98 3a20 s LEU 68 Cb -0.10 2.28 0.02 0.00 -0.56 0.00 0.00 46.19 47.83 3a20 s LEU 68 CO 0.03 -0.86 0.28 0.61 -1.06 0.00 0.00 176.35 175.35 3a20 n GLY 69 N -0.35 0.71 3.64 -3.48 0.00 -1.26 -0.71 105.19 103.73 3a20 n GLY 69 Ca -0.10 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 3a20 n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a20 s SER 70 N -1.63 -0.68 0.28 1.61 0.15 -0.27 -4.74 113.70 108.41 3a20 s SER 70 Ca 0.06 1.24 0.25 0.00 0.70 0.00 0.00 55.95 58.20 3a20 s SER 70 Cb -0.00 1.26 0.93 0.00 -1.71 0.00 0.00 66.02 66.50 3a20 s SER 70 CO 0.00 -0.21 1.75 -0.09 1.20 0.00 0.00 173.24 175.90 3a20 h ARG 71 N 5.33 0.00 -0.00 5.44 9.65 -1.93 -1.89 114.38 130.97 3a20 h ARG 71 Ca -0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3a20 h ARG 71 Cb 1.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3a20 h ARG 71 CO 0.11 0.00 -0.11 1.63 2.80 0.00 0.00 179.97 184.40 3a20 n LYS 72 N -2.36 0.64 -4.51 0.20 5.02 -1.26 -2.75 118.16 113.13 3a20 n LYS 72 Ca 0.03 -0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 3a20 n LYS 72 Cb 0.32 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 3a20 n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a20 s VAL 73 N -2.50 3.14 0.23 -0.18 1.01 -1.17 -4.90 120.40 116.03 3a20 s VAL 73 Ca 0.28 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3a20 s VAL 73 Cb 0.20 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 3a20 s VAL 73 CO 0.48 0.50 1.46 0.00 0.00 0.00 0.00 175.10 177.54 3a20 s ALA 74 N 0.67 3.65 0.26 5.51 0.00 -1.26 -1.04 121.76 129.54 3a20 s ALA 74 Ca -0.06 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3a20 s ALA 74 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3a20 s ALA 74 CO 0.02 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3a20 n GLY 75 N 2.53 1.14 0.20 0.00 0.00 0.32 -4.72 105.19 104.67 3a20 n GLY 75 Ca 0.08 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 3a20 n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3a20 h ARG 76 N 0.00 0.36 -0.05 1.61 3.08 -1.84 -3.33 114.38 114.21 3a20 h ARG 76 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3a20 h ARG 76 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3a20 h ARG 76 CO 0.00 0.76 0.00 0.09 -1.07 0.00 0.00 179.97 179.75 3a20 n ASN 77 N -3.98 2.30 0.00 7.04 5.03 -1.26 -5.09 115.26 119.29 3a20 n ASN 77 Ca -0.02 -2.35 0.00 0.00 0.87 0.00 0.00 54.58 53.08 3a20 n ASN 77 Cb 0.53 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 3a20 n ASN 77 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a20 n GLY 78 N -0.64 -0.77 3.70 7.41 0.00 -1.25 -5.13 105.19 108.51 3a20 n GLY 78 Ca 0.07 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 3a20 n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a20 n PRO 79 N -1.01 2.21 0.00 1.61 -0.02 -1.26 -0.52 135.00 136.01 3a20 n PRO 79 Ca 0.00 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3a20 n PRO 79 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 3a20 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a20 n GLY 80 N 1.16 -0.21 3.75 -1.23 0.00 -0.21 -4.65 105.19 103.80 3a20 n GLY 80 Ca 0.06 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 3a20 n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a20 s THR 81 N -1.56 0.00 0.12 2.61 -1.32 -0.72 -2.37 115.64 112.40 3a20 s THR 81 Ca 0.00 -1.14 -0.25 0.00 -1.21 0.00 0.00 61.69 59.09 3a20 s THR 81 Cb 0.00 -2.49 0.08 0.00 -1.51 0.00 0.00 72.50 68.58 3a20 s THR 81 CO 0.00 0.00 1.10 -0.83 -2.21 0.00 0.00 174.62 172.68 3a20 s GLY 82 N -3.04 -0.08 0.05 6.08 0.00 -1.26 -1.12 107.32 107.95 3a20 s GLY 82 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.89 3a20 s GLY 82 CO 0.11 1.99 -0.07 -1.36 0.00 0.00 0.00 173.10 173.77 3a20 s PHE 83 N -2.43 0.66 -0.24 1.90 0.40 0.11 -1.80 117.98 116.58 3a20 s PHE 83 Ca 0.20 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.88 3a20 s PHE 83 Cb -0.01 -0.40 -0.00 0.00 0.51 0.00 0.00 43.02 43.12 3a20 s PHE 83 CO 0.02 -0.12 -0.03 -1.17 0.70 0.00 0.00 175.22 174.63 3a20 s LEU 84 N -1.92 3.08 -0.13 -0.37 2.96 -0.07 -2.80 118.68 119.43 3a20 s LEU 84 Ca -0.06 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 3a20 s LEU 84 Cb -0.06 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3a20 s LEU 84 CO -0.01 -0.06 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.25 3a20 s ILE 85 N 1.46 3.59 -0.06 6.68 -1.09 0.21 -1.34 121.20 130.65 3a20 s ILE 85 Ca 0.04 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.04 3a20 s ILE 85 Cb -0.15 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3a20 s ILE 85 CO -0.03 0.52 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.87 3a20 s ARG 86 N 0.14 2.60 0.10 2.79 0.52 -0.58 -0.45 118.95 124.07 3a20 s ARG 86 Ca -0.03 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.14 3a20 s ARG 86 Cb -0.14 -2.27 0.07 0.00 0.52 0.00 0.00 34.95 33.13 3a20 s ARG 86 CO 0.03 0.45 0.99 0.41 0.02 0.00 0.00 175.30 177.20 3a20 n GLY 87 N 2.79 0.53 3.78 -3.53 0.00 -1.04 -0.53 105.19 107.19 3a20 n GLY 87 Ca -0.17 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 3a20 n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a20 s SER 88 N -3.29 5.81 0.13 1.61 1.04 -0.62 -1.31 113.70 117.07 3a20 s SER 88 Ca 0.23 0.30 0.06 0.00 0.48 0.00 0.00 55.95 57.02 3a20 s SER 88 Cb -0.02 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.28 3a20 s SER 88 CO 0.03 0.39 -0.02 0.00 0.98 0.00 0.00 173.24 174.61 3a20 s ALA 89 N -0.92 3.18 -0.06 5.32 0.00 0.75 -0.73 121.76 129.29 3a20 s ALA 89 Ca 0.14 -1.24 -0.15 0.00 0.00 0.00 0.00 51.96 50.70 3a20 s ALA 89 Cb -0.12 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.99 3a20 s ALA 89 CO 0.03 0.60 0.36 0.00 0.00 0.00 0.00 175.76 176.75 3a20 s ALA 90 N -1.45 -0.91 -0.23 0.00 0.00 -0.49 -4.80 121.76 113.87 3a20 s ALA 90 Ca 0.25 0.66 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 3a20 s ALA 90 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3a20 s ALA 90 CO 0.17 -0.24 0.03 -0.06 0.00 0.00 0.00 175.76 175.67 3a20 s PHE 91 N -0.79 3.05 -0.06 0.00 0.40 -1.26 -0.28 117.98 119.03 3a20 s PHE 91 Ca -0.09 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 3a20 s PHE 91 Cb -0.04 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 3a20 s PHE 91 CO 0.03 -0.38 0.00 1.03 0.70 0.00 0.00 175.22 176.61 3a20 s ARG 92 N 1.47 2.94 -0.03 0.44 1.81 0.06 -4.92 118.95 120.72 3a20 s ARG 92 Ca 0.05 -0.46 0.05 0.00 -1.72 0.00 0.00 55.73 53.65 3a20 s ARG 92 Cb -0.15 -2.76 0.07 0.00 -0.45 0.00 0.00 34.95 31.66 3a20 s ARG 92 CO 0.02 0.68 0.93 0.25 -0.68 0.00 0.00 175.30 176.50 3a20 n THR 93 N 1.92 0.87 -3.65 0.02 -2.24 -1.26 -0.53 114.28 109.41 3a20 n THR 93 Ca -0.17 -0.96 -0.05 0.00 -2.27 0.00 0.00 64.05 60.59 3a20 n THR 93 Cb 0.53 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3a20 n THR 93 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3a20 s ASP 94 N -1.23 -0.25 0.00 3.42 -4.77 -1.26 -5.01 116.67 107.56 3a20 s ASP 94 Ca 0.08 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.09 3a20 s ASP 94 Cb 0.07 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.34 3a20 s ASP 94 CO 0.01 -0.78 0.00 0.61 0.70 0.00 0.00 175.17 175.70 3a20 n GLY 95 N -0.38 -0.60 0.36 2.12 0.00 -1.26 -4.10 105.19 101.33 3a20 n GLY 95 Ca -0.07 -1.75 0.15 0.00 0.00 0.00 0.00 46.02 44.35 3a20 n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a20 h PRO 96 N 0.00 0.66 -0.14 1.61 0.11 -2.02 -1.37 132.00 130.85 3a20 h PRO 96 Ca 0.00 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 3a20 h PRO 96 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3a20 h PRO 96 CO 0.00 0.44 -0.34 0.93 -0.21 0.00 0.00 178.00 178.81 3a20 h GLU 97 N 0.68 0.29 0.13 1.05 5.08 -2.00 -1.67 114.58 118.13 3a20 h GLU 97 Ca 0.58 -0.12 -0.29 0.00 -1.00 0.00 0.00 59.36 58.53 3a20 h GLU 97 Cb 1.02 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.28 3a20 h GLU 97 CO -0.37 0.60 -1.24 0.35 -1.00 0.00 0.00 179.01 177.35 3a20 h PHE 98 N 0.25 0.88 0.00 4.33 3.57 -1.47 -3.20 116.94 121.30 3a20 h PHE 98 Ca 0.03 -0.57 -0.01 0.00 3.53 0.00 0.00 57.97 60.95 3a20 h PHE 98 Cb 0.73 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 3a20 h PHE 98 CO 0.01 1.42 -0.07 0.93 -2.23 0.00 0.00 178.31 178.38 3a20 h GLU 99 N 0.22 0.00 -0.10 1.11 4.39 -1.08 -1.76 114.58 117.36 3a20 h GLU 99 Ca -0.18 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.55 3a20 h GLU 99 Cb 1.92 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.57 3a20 h GLU 99 CO 0.23 0.07 0.09 0.00 -1.16 0.00 0.00 179.01 178.24 3a20 h ALA 100 N 1.93 1.83 0.00 3.43 0.00 -1.30 -2.73 119.26 122.43 3a20 h ALA 100 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a20 h ALA 100 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a20 h ALA 100 CO 0.01 -0.14 -0.05 0.44 0.00 0.00 0.00 179.25 179.51 3a20 n ILE 101 N -4.08 0.88 0.20 0.00 -6.64 -0.81 -4.76 119.36 104.15 3a20 n ILE 101 Ca -0.01 -0.96 0.09 0.00 -1.77 0.00 0.00 62.75 60.10 3a20 n ILE 101 Cb 0.20 0.45 0.46 0.00 -1.44 0.00 0.00 39.64 39.31 3a20 n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a20 n ALA 102 N -0.55 1.20 0.29 -1.28 0.00 -0.73 -2.01 120.51 117.44 3a20 n ALA 102 Ca 0.03 0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.76 3a20 n ALA 102 Cb 0.43 -1.28 0.90 0.00 0.00 0.00 0.00 19.45 19.50 3a20 n ALA 102 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3a20 h ARG 103 N 0.00 0.00 -6.27 0.00 0.11 -1.86 -3.37 114.38 102.99 3a20 h ARG 103 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 3a20 h ARG 103 Cb 0.09 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.08 3a20 h ARG 103 CO 0.00 0.03 0.74 -0.06 0.10 0.00 0.00 179.97 180.78 3a20 s PHE 104 N -4.47 2.77 0.54 4.08 0.40 -0.85 -4.90 117.98 115.56 3a20 s PHE 104 Ca -0.04 0.32 0.25 0.00 -0.60 0.00 0.00 56.93 56.85 3a20 s PHE 104 Cb 0.14 -4.23 1.42 0.00 0.51 0.00 0.00 43.02 40.87 3a20 s PHE 104 CO 0.54 -1.35 2.02 -0.22 0.70 0.00 0.00 175.22 176.91 3a20 h LYS 105 N 9.31 0.00 -0.00 0.44 3.11 -1.89 -0.77 116.57 126.76 3a20 h LYS 105 Ca -0.25 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 3a20 h LYS 105 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 3a20 h LYS 105 CO 1.11 0.00 -0.08 -2.67 -2.81 0.00 0.00 179.45 174.99 3a20 n TRP 106 N -4.27 0.00 -2.10 1.91 4.27 -1.26 -4.90 117.44 111.08 3a20 n TRP 106 Ca 0.08 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 3a20 n TRP 106 Cb 0.53 -0.16 -0.03 0.00 -1.36 0.00 0.00 31.31 30.29 3a20 n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3a20 s ALA 107 N -2.40 3.64 -0.41 -1.67 0.00 -0.30 -4.51 121.76 116.12 3a20 s ALA 107 Ca 0.31 1.16 0.14 0.00 0.00 0.00 0.00 51.96 53.57 3a20 s ALA 107 Cb 0.20 -3.57 -0.18 0.00 0.00 0.00 0.00 23.12 19.57 3a20 s ALA 107 CO 0.45 -0.72 0.48 2.89 0.00 0.00 0.00 175.76 178.87 3a20 n ARG 108 N 4.22 1.68 -3.82 0.00 1.85 0.13 -4.99 116.66 115.73 3a20 n ARG 108 Ca 0.13 -0.05 -0.03 0.00 -1.00 0.00 0.00 57.85 56.90 3a20 n ARG 108 Cb 0.41 -1.22 0.01 0.00 -1.05 0.00 0.00 32.46 30.61 3a20 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3a20 s ALA 109 N -2.56 -1.68 -0.13 2.89 0.00 -1.13 -4.85 121.76 114.30 3a20 s ALA 109 Ca 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.90 3a20 s ALA 109 Cb 0.10 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.93 3a20 s ALA 109 CO 0.57 -1.06 -0.16 0.00 0.00 0.00 0.00 175.76 175.11 3a20 s ALA 110 N -2.56 1.88 -0.42 0.00 0.00 0.30 -1.05 121.76 119.92 3a20 s ALA 110 Ca 0.18 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 3a20 s ALA 110 Cb -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3a20 s ALA 110 CO 0.03 -0.17 0.74 -1.17 0.00 0.00 0.00 175.76 175.19 3a20 s LEU 111 N 1.12 4.27 -0.28 0.00 2.96 0.27 -0.76 118.68 126.26 3a20 s LEU 111 Ca -0.03 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 3a20 s LEU 111 Cb -0.14 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 3a20 s LEU 111 CO -0.05 -0.81 0.16 -0.69 -1.32 0.00 0.00 176.35 173.64 3a20 s VAL 112 N 3.08 4.92 -0.26 1.68 1.01 0.61 -0.46 120.40 130.98 3a20 s VAL 112 Ca 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 3a20 s VAL 112 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3a20 s VAL 112 CO 0.20 0.21 0.02 -0.63 0.00 0.00 0.00 175.10 174.90 3a20 s ILE 113 N 1.69 3.67 -0.40 2.22 1.01 0.27 -1.39 121.20 128.28 3a20 s ILE 113 Ca 0.06 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 3a20 s ILE 113 Cb -0.16 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.52 3a20 s ILE 113 CO 0.08 0.23 0.57 -0.89 0.00 0.00 0.00 174.94 174.94 3a20 s THR 114 N 1.48 4.93 0.11 2.92 2.01 0.09 -0.86 115.64 126.32 3a20 s THR 114 Ca 0.04 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 3a20 s THR 114 Cb -0.16 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.18 3a20 s THR 114 CO -0.00 -0.43 1.37 -0.69 -0.69 0.00 0.00 174.62 174.18 3a20 s VAL 115 N 2.58 3.39 -0.14 3.82 1.01 0.28 -1.59 120.40 129.75 3a20 s VAL 115 Ca 0.20 0.99 0.13 0.00 0.00 0.00 0.00 61.98 63.31 3a20 s VAL 115 Cb -0.15 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.41 3a20 s VAL 115 CO 0.16 0.08 0.05 0.52 0.00 0.00 0.00 175.10 175.91 3a20 n VAL 116 N 3.96 1.00 -3.59 2.92 0.31 0.31 -4.94 118.33 118.29 3a20 n VAL 116 Ca 0.11 -0.62 -0.16 0.00 -0.01 0.00 0.00 64.34 63.66 3a20 n VAL 116 Cb 0.43 -0.60 -0.07 0.00 -0.91 0.00 0.00 33.84 32.69 3a20 n VAL 116 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3a20 s SER 117 N -4.81 -0.57 -0.10 4.52 1.04 -0.96 -5.01 113.70 107.81 3a20 s SER 117 Ca -0.07 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.03 3a20 s SER 117 Cb 0.04 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.85 3a20 s SER 117 CO 0.61 -0.50 0.05 0.00 0.98 0.00 0.00 173.24 174.38 3a20 s ALA 118 N -0.92 0.46 -0.13 5.32 0.00 -1.26 -1.52 121.76 123.71 3a20 s ALA 118 Ca -0.09 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3a20 s ALA 118 Cb -0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 3a20 s ALA 118 CO 0.07 -0.74 -0.15 -1.21 0.00 0.00 0.00 175.76 173.73 3a20 s GLU 119 N 2.09 3.29 -0.42 0.00 2.02 -0.45 -4.97 118.70 120.26 3a20 s GLU 119 Ca 0.04 -0.73 -0.26 0.00 0.02 0.00 0.00 54.97 54.03 3a20 s GLU 119 Cb -0.14 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.53 3a20 s GLU 119 CO -0.06 0.15 0.97 -1.14 0.02 0.00 0.00 175.26 175.20 3a20 s GLN 120 N 0.49 3.71 -0.04 1.61 0.74 -1.26 -0.89 119.66 124.01 3a20 s GLN 120 Ca -0.11 0.43 0.12 0.00 0.05 0.00 0.00 55.36 55.86 3a20 s GLN 120 Cb -0.16 -3.87 0.41 0.00 1.10 0.00 0.00 33.01 30.50 3a20 s GLN 120 CO 0.05 -1.13 1.30 0.25 -0.55 0.00 0.00 175.29 175.21 3a20 n THR 121 N 6.30 0.87 -1.75 -0.34 -2.24 -0.75 -4.99 114.28 111.37 3a20 n THR 121 Ca 0.08 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3a20 n THR 121 Cb 0.48 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3a20 n THR 121 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67