#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LEU 2 N 0.00 0.00 0.00 4.03 7.94 -1.26 -4.72 117.00 122.99 3i20 n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i20 n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i20 n LEU 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3i20 n GLN 3 N 1.14 0.00 -1.67 1.96 10.64 -1.26 -4.80 117.38 123.38 3i20 n GLN 3 Ca 0.00 0.00 -0.55 0.00 -1.83 0.00 0.00 57.00 54.62 3i20 n GLN 3 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 3i20 n GLN 3 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 3i20 n PRO 4 N -0.29 1.26 0.00 2.61 -0.02 -1.26 -4.83 135.00 132.48 3i20 n PRO 4 Ca 0.00 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 3i20 n PRO 4 Cb 0.00 -2.15 0.14 0.00 -0.02 0.00 0.00 33.50 31.47 3i20 n PRO 4 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i20 n LYS 5 N 4.63 0.08 0.00 -0.52 5.02 -1.26 -4.79 118.16 121.32 3i20 n LYS 5 Ca 0.24 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3i20 n LYS 5 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3i20 n LYS 5 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i20 n ARG 6 N -1.28 0.00 -3.64 1.97 0.63 -1.26 -5.19 116.66 107.89 3i20 n ARG 6 Ca 0.03 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.81 3i20 n ARG 6 Cb 0.04 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.88 3i20 n ARG 6 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3i20 s THR 7 N -2.00 0.03 -0.43 5.15 -4.23 -1.26 -5.03 115.64 107.87 3i20 s THR 7 Ca 0.00 -0.28 0.26 0.00 -1.18 0.00 0.00 61.69 60.50 3i20 s THR 7 Cb 0.00 -0.83 0.30 0.00 1.34 0.00 0.00 72.50 73.31 3i20 s THR 7 CO 0.00 -0.15 1.77 0.11 -0.54 0.00 0.00 174.62 175.81 3i20 h LYS 8 N 3.34 0.00 -3.65 3.99 6.56 -2.02 -3.44 116.57 121.35 3i20 h LYS 8 Ca -0.29 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.11 3i20 h LYS 8 Cb 1.17 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.58 3i20 h LYS 8 CO 0.40 0.00 -0.62 -0.06 -2.06 0.00 0.00 179.45 177.11 3i20 s PHE 9 N -3.31 0.02 0.13 -1.35 0.08 -1.26 -5.06 117.98 107.23 3i20 s PHE 9 Ca 0.06 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.94 3i20 s PHE 9 Cb 0.09 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.47 3i20 s PHE 9 CO 0.52 -0.12 1.51 -0.09 -0.10 0.00 0.00 175.22 176.94 3i20 h ARG 10 N 5.37 0.83 -5.47 0.44 1.12 -2.04 -3.45 114.38 111.18 3i20 h ARG 10 Ca -0.28 -0.37 -0.43 0.00 -1.11 0.00 0.00 59.98 57.80 3i20 h ARG 10 Cb 1.20 -0.02 -0.19 0.00 -0.01 0.00 0.00 29.97 30.95 3i20 h ARG 10 CO 0.44 1.00 -0.76 0.15 -3.11 0.00 0.00 179.97 177.68 3i20 s LYS 11 N -4.63 1.02 0.11 0.20 1.02 -1.26 -4.91 119.74 111.30 3i20 s LYS 11 Ca -0.12 -1.22 0.10 0.00 0.02 0.00 0.00 55.97 54.76 3i20 s LYS 11 Cb 0.10 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 3i20 s LYS 11 CO 0.84 0.18 -0.26 -1.64 -0.92 0.00 0.00 175.35 173.56 3i20 s MET 12 N -2.55 1.41 0.00 1.68 -1.94 -1.26 -5.05 119.30 111.59 3i20 s MET 12 Ca 0.08 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 3i20 s MET 12 Cb -0.06 -1.82 0.00 0.00 2.01 0.00 0.00 34.83 34.96 3i20 s MET 12 CO 0.03 0.44 0.16 0.72 -0.01 0.00 0.00 175.02 176.36 3i20 n HIS 13 N 1.09 0.00 0.00 -0.03 8.25 -1.26 -4.81 115.22 118.46 3i20 n HIS 13 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3i20 n HIS 13 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 3i20 n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3i20 n LYS 14 N -0.31 0.00 0.00 -0.41 4.81 -1.26 -5.06 118.16 115.93 3i20 n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i20 n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i20 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i20 n GLY 15 N 0.00 0.00 0.23 3.14 0.00 -1.26 -4.86 105.19 102.44 3i20 n GLY 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3i20 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 n ARG 16 N 0.00 1.61 -2.65 1.61 5.12 -1.26 -5.09 116.66 116.00 3i20 n ARG 16 Ca 0.00 -0.23 -0.10 0.00 -1.93 0.00 0.00 57.85 55.59 3i20 n ARG 16 Cb 0.00 0.08 0.03 0.00 -1.16 0.00 0.00 32.46 31.41 3i20 n ARG 16 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i20 n ASN 17 N -1.33 2.06 -4.69 0.55 5.15 -1.26 -5.11 115.26 110.63 3i20 n ASN 17 Ca -0.01 -2.71 -0.28 0.00 -0.60 0.00 0.00 54.58 50.98 3i20 n ASN 17 Cb 0.04 -0.50 0.11 0.00 -0.53 0.00 0.00 39.78 38.91 3i20 n ASN 17 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3i20 s ARG 18 N -3.38 1.64 0.00 1.20 0.52 -1.26 -4.89 118.95 112.79 3i20 s ARG 18 Ca 0.31 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 3i20 s ARG 18 Cb 0.41 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.90 3i20 s ARG 18 CO -0.01 -1.74 0.00 0.41 0.02 0.00 0.00 175.30 173.98 3i20 n GLY 19 N -3.34 -1.13 3.88 -3.53 0.00 -1.26 -4.98 105.19 94.84 3i20 n GLY 19 Ca 0.10 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 3i20 n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i20 s LEU 20 N -3.36 3.87 0.86 0.99 2.01 -1.26 -4.55 118.68 117.23 3i20 s LEU 20 Ca 0.00 1.05 -0.11 0.00 0.01 0.00 0.00 54.13 55.08 3i20 s LEU 20 Cb 0.00 -3.92 0.11 0.00 0.01 0.00 0.00 46.19 42.39 3i20 s LEU 20 CO 0.00 -0.37 1.10 0.00 1.01 0.00 0.00 176.35 178.09 3i20 s ALA 21 N -2.33 1.75 -0.07 4.21 0.00 -1.11 -4.96 121.76 119.25 3i20 s ALA 21 Ca 0.50 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 3i20 s ALA 21 Cb -0.10 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3i20 s ALA 21 CO 0.31 -2.23 -0.21 1.04 0.00 0.00 0.00 175.76 174.67 3i20 n GLN 22 N -3.83 0.32 -1.88 0.00 1.13 -1.26 -4.77 117.38 107.10 3i20 n GLN 22 Ca 0.08 0.13 -0.22 0.00 -1.94 0.00 0.00 57.00 55.05 3i20 n GLN 22 Cb 0.54 -1.06 -0.07 0.00 0.11 0.00 0.00 30.24 29.75 3i20 n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i20 s GLY 23 N -4.59 -0.30 -0.01 1.08 0.00 -1.26 -4.72 107.32 97.53 3i20 s GLY 23 Ca -0.18 -1.63 0.18 0.00 0.00 0.00 0.00 44.72 43.09 3i20 s GLY 23 CO 0.26 3.82 0.69 -0.37 0.00 0.00 0.00 173.10 177.50 3i20 n THR 24 N 8.28 0.00 -4.01 0.90 5.66 -1.26 -1.32 114.28 122.52 3i20 n THR 24 Ca 0.43 -0.15 -0.08 0.00 -3.05 0.00 0.00 64.05 61.20 3i20 n THR 24 Cb 0.46 0.81 -0.09 0.00 -1.55 0.00 0.00 70.33 69.96 3i20 n THR 24 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3i20 s ASP 25 N -2.99 0.35 -0.18 1.09 3.84 -1.26 -4.62 116.67 112.90 3i20 s ASP 25 Ca 0.04 -0.84 -0.29 0.00 -0.00 0.00 0.00 52.55 51.46 3i20 s ASP 25 Cb 0.13 0.24 -0.05 0.00 -1.38 0.00 0.00 42.92 41.86 3i20 s ASP 25 CO 0.74 -0.62 1.96 -0.69 -0.00 0.00 0.00 175.17 176.56 3i20 s VAL 26 N -3.70 3.25 -0.05 2.11 1.01 -1.26 -4.82 120.40 116.94 3i20 s VAL 26 Ca 0.05 0.27 0.24 0.00 0.00 0.00 0.00 61.98 62.54 3i20 s VAL 26 Cb 0.06 -3.27 0.44 0.00 0.00 0.00 0.00 36.38 33.60 3i20 s VAL 26 CO -0.09 -0.13 1.17 -1.54 0.00 0.00 0.00 175.10 174.50 3i20 n SER 27 N 9.80 1.18 0.12 3.32 3.41 -1.26 -4.85 113.62 125.34 3i20 n SER 27 Ca 0.24 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 3i20 n SER 27 Cb 0.44 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3i20 n SER 27 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i20 n PHE 28 N 0.22 -2.22 -1.45 7.33 3.72 -1.26 -5.13 117.46 118.66 3i20 n PHE 28 Ca 0.08 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 3i20 n PHE 28 Cb 1.07 0.81 0.00 0.00 -0.94 0.00 0.00 39.48 40.42 3i20 n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i20 n GLY 29 N 1.25 0.73 0.10 1.37 0.00 -1.26 -4.97 105.19 102.41 3i20 n GLY 29 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 3i20 n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i20 n SER 30 N -0.91 0.54 -4.22 1.61 7.64 -0.01 -4.88 113.62 113.39 3i20 n SER 30 Ca 0.00 0.04 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 3i20 n SER 30 Cb 0.00 0.54 -0.13 0.00 -1.01 0.00 0.00 64.21 63.61 3i20 n SER 30 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i20 s PHE 31 N -2.51 1.60 0.22 1.43 0.40 -0.93 -1.90 117.98 116.28 3i20 s PHE 31 Ca -0.14 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 55.87 3i20 s PHE 31 Cb 0.07 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.62 3i20 s PHE 31 CO 0.79 0.10 -0.11 0.20 0.70 0.00 0.00 175.22 176.90 3i20 s GLY 32 N -1.38 1.50 -0.46 4.36 0.00 -0.28 -0.03 107.32 111.03 3i20 s GLY 32 Ca 0.05 -1.71 -0.00 0.00 0.00 0.00 0.00 44.72 43.06 3i20 s GLY 32 CO 0.02 -1.76 0.23 -2.27 0.00 0.00 0.00 173.10 169.32 3i20 s LEU 33 N -3.33 4.98 0.45 0.66 0.20 0.04 0.11 118.68 121.78 3i20 s LEU 33 Ca 0.24 -2.41 -0.09 0.00 0.69 0.00 0.00 54.13 52.56 3i20 s LEU 33 Cb 0.01 -1.76 -0.05 0.00 -0.43 0.00 0.00 46.19 43.96 3i20 s LEU 33 CO 0.08 -0.41 0.79 -0.75 -0.29 0.00 0.00 176.35 175.76 3i20 s LYS 34 N 0.58 3.68 0.00 1.98 2.20 0.33 -1.27 119.74 127.24 3i20 s LYS 34 Ca 0.12 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 3i20 s LYS 34 Cb -0.22 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 3i20 s LYS 34 CO -0.04 -0.13 0.00 0.00 -0.36 0.00 0.00 175.35 174.82 3i20 n ALA 35 N -1.73 0.00 0.00 3.13 0.00 0.20 -0.20 120.51 121.91 3i20 n ALA 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i20 n ALA 35 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i20 n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i20 n VAL 36 N 0.00 0.00 -4.29 0.00 0.31 -1.24 -3.09 118.33 110.02 3i20 n VAL 36 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 3i20 n VAL 36 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 3i20 n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i20 s GLY 37 N -1.87 1.24 0.56 2.92 0.00 -1.22 -4.80 107.32 104.15 3i20 s GLY 37 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.22 3i20 s GLY 37 CO 0.00 -1.58 0.80 -1.60 0.00 0.00 0.00 173.10 170.71 3i20 s ARG 38 N -3.30 2.55 0.00 2.90 3.52 -1.26 -3.77 118.95 119.59 3i20 s ARG 38 Ca 0.17 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 3i20 s ARG 38 Cb -0.02 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 3i20 s ARG 38 CO 0.04 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 3i20 n GLY 39 N -2.39 0.82 3.05 8.12 0.00 -1.14 -4.93 105.19 108.72 3i20 n GLY 39 Ca 0.07 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3i20 n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i20 s ARG 40 N -1.59 0.21 0.05 1.61 1.70 -1.26 -2.00 118.95 117.67 3i20 s ARG 40 Ca 0.00 0.34 0.05 0.00 -0.47 0.00 0.00 55.73 55.65 3i20 s ARG 40 Cb 0.00 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 3i20 s ARG 40 CO 0.00 -0.07 -0.08 -0.51 -1.08 0.00 0.00 175.30 173.56 3i20 s LEU 41 N 0.49 3.12 -0.21 -1.89 1.43 -1.14 -4.91 118.68 115.56 3i20 s LEU 41 Ca -0.03 -0.25 0.13 0.00 -1.03 0.00 0.00 54.13 52.94 3i20 s LEU 41 Cb -0.05 -1.85 0.44 0.00 0.03 0.00 0.00 46.19 44.77 3i20 s LEU 41 CO -0.02 0.23 1.19 0.35 0.23 0.00 0.00 176.35 178.33 3i20 n THR 42 N 1.13 1.94 0.00 5.49 -2.24 -1.26 0.36 114.28 119.70 3i20 n THR 42 Ca -0.14 -3.25 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 3i20 n THR 42 Cb 0.52 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3i20 n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i20 n ALA 43 N -0.72 0.00 0.31 6.98 0.00 -1.25 -3.80 120.51 122.03 3i20 n ALA 43 Ca 0.24 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.89 3i20 n ALA 43 Cb 0.85 0.00 1.01 0.00 0.00 0.00 0.00 19.45 21.31 3i20 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 h ARG 44 N 0.00 0.00 0.00 0.00 3.08 -1.87 0.24 114.38 115.83 3i20 h ARG 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i20 h ARG 44 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i20 h ARG 44 CO 0.00 0.00 -0.15 1.96 -1.07 0.00 0.00 179.97 180.71 3i20 h GLN 45 N 0.00 0.00 -0.19 0.04 4.20 -1.90 -2.57 115.11 114.70 3i20 h GLN 45 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3i20 h GLN 45 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3i20 h GLN 45 CO 0.00 0.00 -0.11 0.44 -0.67 0.00 0.00 178.83 178.49 3i20 n ILE 46 N -3.19 -0.13 0.00 2.54 -6.64 -0.97 0.33 119.36 111.31 3i20 n ILE 46 Ca -0.02 1.45 0.00 0.00 -1.77 0.00 0.00 62.75 62.41 3i20 n ILE 46 Cb 0.08 -1.90 0.00 0.00 -1.44 0.00 0.00 39.64 36.38 3i20 n ILE 46 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3i20 n GLU 47 N -3.33 0.00 -0.29 6.28 -0.58 0.79 -0.00 120.64 123.50 3i20 n GLU 47 Ca 0.00 0.60 0.27 0.00 -0.42 0.00 0.00 57.16 57.61 3i20 n GLU 47 Cb 0.05 -0.97 0.48 0.00 -0.57 0.00 0.00 31.44 30.43 3i20 n GLU 47 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i20 n ALA 48 N -2.08 0.88 -0.04 0.62 0.00 0.15 0.16 120.51 120.20 3i20 n ALA 48 Ca 0.00 0.74 -0.13 0.00 0.00 0.00 0.00 53.44 54.06 3i20 n ALA 48 Cb 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 3i20 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 h ALA 49 N 1.42 -0.02 -0.81 0.00 0.00 0.17 -3.13 119.26 116.89 3i20 h ALA 49 Ca 0.66 -0.38 0.20 0.00 0.00 0.00 0.00 54.91 55.39 3i20 h ALA 49 Cb 1.89 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.56 3i20 h ALA 49 CO -0.51 -0.09 0.14 -0.09 0.00 0.00 0.00 179.25 178.70 3i20 h ARG 50 N -0.86 0.18 0.55 0.00 2.43 0.46 0.49 114.38 117.63 3i20 h ARG 50 Ca -0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3i20 h ARG 50 Cb 0.77 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3i20 h ARG 50 CO 0.00 0.12 -0.30 0.00 -1.51 0.00 0.00 179.97 178.28 3i20 h ARG 51 N 0.19 -0.76 -0.21 0.20 2.47 -1.13 0.46 114.38 115.60 3i20 h ARG 51 Ca 0.48 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 59.30 3i20 h ARG 51 Cb 0.89 0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 29.32 3i20 h ARG 51 CO -0.63 -0.51 -0.25 0.00 0.56 0.00 0.00 179.97 179.14 3i20 h ALA 52 N -0.36 -0.17 -0.12 0.04 0.00 -1.34 -2.80 119.26 114.49 3i20 h ALA 52 Ca -0.07 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i20 h ALA 52 Cb 0.63 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3i20 h ALA 52 CO 0.09 -0.69 -0.38 1.98 0.00 0.00 0.00 179.25 180.26 3i20 h MET 53 N -0.28 -0.37 0.00 0.00 -1.53 0.45 -3.34 114.93 109.86 3i20 h MET 53 Ca 0.13 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.41 3i20 h MET 53 Cb 0.47 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.60 3i20 h MET 53 CO -0.37 -0.25 0.00 2.41 0.14 0.00 0.00 176.91 178.85 3i20 n THR 54 N -4.54 0.00 -0.89 -0.77 -1.04 0.11 -3.67 114.28 103.48 3i20 n THR 54 Ca -0.04 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.96 3i20 n THR 54 Cb 0.26 -0.55 -0.01 0.00 -1.82 0.00 0.00 70.33 68.21 3i20 n THR 54 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i20 n ARG 55 N 0.00 0.00 0.00 -2.82 3.00 -1.08 0.14 116.66 115.90 3i20 n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i20 n ARG 55 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 32.46 31.58 3i20 n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i20 n ALA 56 N 3.97 0.00 1.13 5.13 0.00 -1.24 -4.72 120.51 124.78 3i20 n ALA 56 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3i20 n ALA 56 Cb 0.43 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.06 3i20 n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i20 n VAL 57 N 0.00 0.00 0.00 0.00 0.24 0.12 -4.93 118.33 113.76 3i20 n VAL 57 Ca 0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3i20 n VAL 57 Cb 0.00 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 3i20 n VAL 57 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i20 n LYS 58 N 0.25 0.00 0.00 7.34 4.01 -1.10 -2.98 118.16 125.68 3i20 n LYS 58 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 3i20 n LYS 58 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.98 3i20 n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3i20 n ARG 59 N 14.00 0.00 -0.48 1.97 0.63 -1.26 -4.53 116.66 126.99 3i20 n ARG 59 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 3i20 n ARG 59 Cb 0.00 -0.97 0.02 0.00 0.45 0.00 0.00 32.46 31.96 3i20 n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i20 n GLN 60 N -0.47 0.00 -0.19 -0.14 10.64 -1.16 -4.91 117.38 121.16 3i20 n GLN 60 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 3i20 n GLN 60 Cb 0.00 -0.48 -0.01 0.00 -0.86 0.00 0.00 30.24 28.89 3i20 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i20 n GLY 61 N 1.68 -2.31 3.43 2.61 0.00 -1.12 -4.89 105.19 104.60 3i20 n GLY 61 Ca -0.01 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 3i20 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i20 s LYS 62 N -2.56 1.56 -0.03 1.61 2.20 -1.26 -4.66 119.74 116.59 3i20 s LYS 62 Ca 0.00 -1.66 -0.01 0.00 -0.36 0.00 0.00 55.97 53.94 3i20 s LYS 62 Cb 0.00 -1.65 0.03 0.00 -1.51 0.00 0.00 37.83 34.70 3i20 s LYS 62 CO 0.00 0.32 0.04 0.42 -0.36 0.00 0.00 175.35 175.77 3i20 s ILE 63 N -2.37 -0.05 0.24 5.43 1.01 -1.26 -0.15 121.20 124.04 3i20 s ILE 63 Ca 0.26 0.31 0.05 0.00 0.00 0.00 0.00 60.65 61.28 3i20 s ILE 63 Cb -0.05 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 3i20 s ILE 63 CO 0.12 0.15 0.31 0.26 0.00 0.00 0.00 174.94 175.78 3i20 s TRP 64 N 1.68 3.35 -0.25 3.97 0.51 -0.01 -4.99 118.94 123.20 3i20 s TRP 64 Ca -0.01 -0.04 -0.02 0.00 -2.12 0.00 0.00 56.10 53.91 3i20 s TRP 64 Cb -0.12 -1.53 0.08 0.00 -0.81 0.00 0.00 33.47 31.09 3i20 s TRP 64 CO -0.03 0.47 0.08 0.42 -0.51 0.00 0.00 176.95 177.38 3i20 s ILE 65 N -2.00 0.50 -0.20 2.03 1.01 -1.26 -2.54 121.20 118.73 3i20 s ILE 65 Ca 0.34 -0.88 0.28 0.00 0.00 0.00 0.00 60.65 60.39 3i20 s ILE 65 Cb -0.09 -1.23 0.36 0.00 0.01 0.00 0.00 42.46 41.51 3i20 s ILE 65 CO 0.28 -0.49 1.81 0.03 0.00 0.00 0.00 174.94 176.57 3i20 h ARG 66 N 8.23 0.00 -5.85 2.79 2.47 0.25 -3.45 114.38 118.82 3i20 h ARG 66 Ca -0.16 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 57.93 3i20 h ARG 66 Cb 1.06 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.33 3i20 h ARG 66 CO 0.40 0.00 -0.50 0.14 0.56 0.00 0.00 179.97 180.58 3i20 s VAL 67 N -3.43 5.40 -0.03 2.04 -7.23 -1.25 -5.04 120.40 110.86 3i20 s VAL 67 Ca 0.04 -0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 3i20 s VAL 67 Cb 0.08 -3.57 0.03 0.00 0.56 0.00 0.00 36.38 33.48 3i20 s VAL 67 CO 0.58 0.25 0.05 0.12 -0.31 0.00 0.00 175.10 175.80 3i20 s PHE 68 N -1.39 0.04 0.00 2.82 5.36 -1.26 -5.11 117.98 118.43 3i20 s PHE 68 Ca 0.30 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3i20 s PHE 68 Cb -0.13 -0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.19 3i20 s PHE 68 CO 0.22 -0.14 0.00 -2.30 -1.46 0.00 0.00 175.22 171.54 3i20 n PRO 69 N 4.77 0.00 -0.58 10.12 -0.02 -1.26 -4.76 135.00 143.27 3i20 n PRO 69 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3i20 n PRO 69 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3i20 n PRO 69 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i20 n ASP 70 N 0.00 0.00 -4.15 2.55 5.68 -1.26 -4.11 116.55 115.26 3i20 n ASP 70 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.95 3i20 n ASP 70 Cb 0.00 -1.13 -0.15 0.00 -1.14 0.00 0.00 41.12 38.70 3i20 n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3i20 s LYS 71 N -0.38 2.66 0.00 0.11 2.20 -1.06 -5.00 119.74 118.27 3i20 s LYS 71 Ca 0.00 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.53 3i20 s LYS 71 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 3i20 s LYS 71 CO 0.00 -0.44 0.87 -2.30 -0.36 0.00 0.00 175.35 173.12 3i20 n PRO 72 N 4.60 0.00 -2.52 4.03 -0.02 -1.26 -1.12 135.00 138.70 3i20 n PRO 72 Ca -0.16 0.87 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 3i20 n PRO 72 Cb 0.46 -1.33 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 3i20 n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i20 n ILE 73 N -2.68-11.13 -3.11 4.25 2.08 -1.26 -3.81 119.36 103.71 3i20 n ILE 73 Ca 0.00 1.93 -0.20 0.00 0.56 0.00 0.00 62.75 65.04 3i20 n ILE 73 Cb 0.00 -6.42 0.01 0.00 -0.75 0.00 0.00 39.64 32.48 3i20 n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i20 s THR 74 N -1.11 3.59 -0.17 1.39 -4.23 -1.26 -1.22 115.64 112.62 3i20 s THR 74 Ca -0.10 -0.82 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 3i20 s THR 74 Cb 0.01 -3.27 0.07 0.00 1.34 0.00 0.00 72.50 70.65 3i20 s THR 74 CO 0.69 -0.14 0.38 -0.70 -0.54 0.00 0.00 174.62 174.31 3i20 s GLU 75 N -4.41 0.31 -0.03 3.99 2.56 -0.83 -4.83 118.70 115.47 3i20 s GLU 75 Ca 0.50 0.89 -0.30 0.00 0.00 0.00 0.00 54.97 56.06 3i20 s GLU 75 Cb -0.10 0.14 -0.03 0.00 2.00 0.00 0.00 34.13 36.14 3i20 s GLU 75 CO 0.34 -0.22 1.01 0.21 -0.56 0.00 0.00 175.26 176.04 3i20 s LYS 76 N 2.12 4.50 0.00 4.30 2.20 -1.26 -3.34 119.74 128.25 3i20 s LYS 76 Ca -0.04 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 3i20 s LYS 76 Cb -0.11 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3i20 s LYS 76 CO -0.12 -0.16 0.00 -2.30 -0.36 0.00 0.00 175.35 172.41 3i20 n PRO 77 N 4.28 2.52 0.00 4.03 -0.02 -1.26 -5.04 135.00 139.51 3i20 n PRO 77 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3i20 n PRO 77 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3i20 n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i20 n LEU 78 N 0.00 0.00 0.00 2.45 0.00 -1.26 -4.79 117.00 113.40 3i20 n LEU 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3i20 n LEU 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3i20 n LEU 78 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 177.39 177.51 3i20 n ALA 79 N -3.00 1.38 -1.76 1.96 0.00 -1.26 -4.71 120.51 113.12 3i20 n ALA 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3i20 n ALA 79 Cb 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 18.54 3i20 n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i20 s VAL 80 N -1.88 2.77 0.00 0.00 0.11 -1.26 -5.04 120.40 115.10 3i20 s VAL 80 Ca 0.00 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 3i20 s VAL 80 Cb 0.00 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 3i20 s VAL 80 CO 0.00 -0.03 0.00 -1.14 -3.33 0.00 0.00 175.10 170.60 3i20 n ARG 81 N -0.89 1.27 -4.89 1.54 3.00 -1.26 -5.01 116.66 110.43 3i20 n ARG 81 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.65 3i20 n ARG 81 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.79 3i20 n ARG 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3i20 s MET 82 N 0.00 1.77 0.00 -0.14 -1.94 -1.26 -4.82 119.30 112.91 3i20 s MET 82 Ca 0.00 -1.10 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 3i20 s MET 82 Cb 0.00 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.90 3i20 s MET 82 CO 0.00 0.50 0.00 0.41 -0.01 0.00 0.00 175.02 175.92 3i20 n GLY 83 N 1.79 2.78 3.06 -0.03 0.00 -1.26 -4.94 105.19 106.59 3i20 n GLY 83 Ca -0.17 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 3i20 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i20 n LYS 84 N 0.00 0.88 0.00 1.61 5.02 -1.26 -4.59 118.16 119.82 3i20 n LYS 84 Ca 0.00 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.09 3i20 n LYS 84 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.54 3i20 n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i20 n GLY 85 N 4.34 -0.83 3.81 0.72 0.00 -1.26 -4.99 105.19 106.98 3i20 n GLY 85 Ca 0.35 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3i20 n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i20 s LYS 86 N -2.38 4.30 1.37 1.61 2.20 -1.26 -5.04 119.74 120.54 3i20 s LYS 86 Ca 0.00 1.03 -0.21 0.00 -0.36 0.00 0.00 55.97 56.44 3i20 s LYS 86 Cb 0.00 -2.61 0.34 0.00 -1.51 0.00 0.00 37.83 34.05 3i20 s LYS 86 CO 0.00 0.22 0.82 0.41 -0.36 0.00 0.00 175.35 176.44 3i20 n GLY 87 N 0.15 -3.36 3.83 5.54 0.00 -1.26 -4.99 105.19 105.10 3i20 n GLY 87 Ca 0.02 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 3i20 n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i20 s ASN 88 N -2.78 6.71 -0.23 1.61 0.02 -1.21 -4.68 114.94 114.37 3i20 s ASN 88 Ca 0.64 0.84 -0.34 0.00 -1.02 0.00 0.00 52.86 52.99 3i20 s ASN 88 Cb -0.15 -2.22 -0.11 0.00 0.02 0.00 0.00 41.25 38.80 3i20 s ASN 88 CO 0.57 0.31 2.07 0.52 0.02 0.00 0.00 177.10 180.58 3i20 n VAL 89 N 2.06 0.36 -0.10 1.60 0.31 -1.26 -1.96 118.33 119.33 3i20 n VAL 89 Ca -0.14 -0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 63.82 3i20 n VAL 89 Cb 0.53 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.48 3i20 n VAL 89 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i20 n GLU 90 N 7.62 0.65 -3.57 5.55 4.07 -0.36 -4.95 120.64 129.65 3i20 n GLU 90 Ca 0.32 0.10 -0.11 0.00 -0.06 0.00 0.00 57.16 57.41 3i20 n GLU 90 Cb 0.29 -1.42 -0.03 0.00 -0.06 0.00 0.00 31.44 30.21 3i20 n GLU 90 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 3i20 s TYR 91 N -2.42 -0.32 -0.06 4.31 1.13 -1.21 -5.10 117.35 113.69 3i20 s TYR 91 Ca -0.25 0.04 -0.04 0.00 -1.41 0.00 0.00 57.07 55.40 3i20 s TYR 91 Cb 0.07 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 3i20 s TYR 91 CO 0.51 -0.81 0.15 -1.58 -2.51 0.00 0.00 175.55 171.31 3i20 s TRP 92 N -3.80 3.55 0.15 -3.49 0.52 -1.25 -3.99 118.94 110.63 3i20 s TRP 92 Ca 0.04 0.42 0.05 0.00 0.02 0.00 0.00 56.10 56.63 3i20 s TRP 92 Cb 0.00 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 3i20 s TRP 92 CO -0.10 0.68 -0.12 0.54 0.02 0.00 0.00 176.95 177.97 3i20 s VAL 93 N -1.18 1.32 -0.24 4.03 0.11 -0.28 -3.89 120.40 120.28 3i20 s VAL 93 Ca 0.21 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.27 3i20 s VAL 93 Cb -0.12 -1.79 0.06 0.00 -1.53 0.00 0.00 36.38 33.00 3i20 s VAL 93 CO 0.12 -0.63 -0.03 0.00 -3.33 0.00 0.00 175.10 171.23 3i20 s ALA 94 N -2.92 1.87 0.44 1.54 0.00 0.16 -2.55 121.76 120.29 3i20 s ALA 94 Ca 0.16 -1.35 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 3i20 s ALA 94 Cb -0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.59 3i20 s ALA 94 CO 0.02 -1.24 1.43 1.28 0.00 0.00 0.00 175.76 177.26 3i20 n LEU 95 N 4.70 4.98 -3.74 0.00 4.32 -1.26 -2.89 117.00 123.11 3i20 n LEU 95 Ca -0.10 1.14 -0.17 0.00 -0.02 0.00 0.00 56.01 56.85 3i20 n LEU 95 Cb 0.44 -1.60 -0.17 0.00 -1.62 0.00 0.00 43.42 40.48 3i20 n LEU 95 CO 0.17 -0.14 -0.35 0.27 -1.22 0.00 0.00 177.39 176.12 3i20 s ILE 96 N -1.18 -0.06 0.32 -0.08 -5.25 -0.85 -4.93 121.20 109.18 3i20 s ILE 96 Ca 0.60 0.27 0.07 0.00 -0.99 0.00 0.00 60.65 60.60 3i20 s ILE 96 Cb -0.46 -0.12 -0.02 0.00 2.95 0.00 0.00 42.46 44.81 3i20 s ILE 96 CO 0.59 0.12 0.38 0.00 -1.79 0.00 0.00 174.94 174.24 3i20 s GLN 97 N 1.42 2.99 0.27 0.37 0.00 -1.26 -2.91 119.66 120.54 3i20 s GLN 97 Ca -0.05 -1.10 -0.30 0.00 -0.00 0.00 0.00 55.36 53.91 3i20 s GLN 97 Cb -0.13 -2.69 -0.13 0.00 0.00 0.00 0.00 33.01 30.07 3i20 s GLN 97 CO -0.03 0.12 1.47 -2.30 0.00 0.00 0.00 175.29 174.55 3i20 n PRO 98 N -1.50 2.32 0.00 9.60 -0.02 -1.25 -1.83 135.00 142.33 3i20 n PRO 98 Ca -0.02 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3i20 n PRO 98 Cb 0.59 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3i20 n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i20 n GLY 99 N 1.97 2.37 3.56 -1.23 0.00 -1.26 -2.75 105.19 107.85 3i20 n GLY 99 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3i20 n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i20 n LYS 100 N -2.00 1.08 -3.50 1.61 4.76 -0.76 -4.45 118.16 114.90 3i20 n LYS 100 Ca 0.00 0.39 -0.42 0.00 -2.87 0.00 0.00 58.31 55.40 3i20 n LYS 100 Cb 0.00 -1.86 -0.10 0.00 -1.84 0.00 0.00 35.03 31.23 3i20 n LYS 100 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i20 s VAL 101 N -1.32 4.96 -0.05 -0.18 0.11 -0.44 0.63 120.40 124.11 3i20 s VAL 101 Ca 0.64 -0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 3i20 s VAL 101 Cb -0.58 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.39 3i20 s VAL 101 CO 0.57 -0.37 0.41 -0.07 -3.33 0.00 0.00 175.10 172.31 3i20 h LEU 102 N 8.58 -0.28 -8.79 2.54 -0.00 -1.52 -3.38 115.31 112.46 3i20 h LEU 102 Ca -0.26 0.01 -0.39 0.00 -0.00 0.00 0.00 57.88 57.24 3i20 h LEU 102 Cb 1.11 0.07 -0.14 0.00 -0.00 0.00 0.00 40.66 41.70 3i20 h LEU 102 CO 0.75 0.13 -0.72 -0.31 -0.00 0.00 0.00 178.44 178.29 3i20 s TYR 103 N -2.62 1.50 0.03 1.13 1.51 -1.24 0.83 117.35 118.49 3i20 s TYR 103 Ca -0.05 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.36 3i20 s TYR 103 Cb 0.00 -0.74 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 3i20 s TYR 103 CO 0.15 0.21 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.50 3i20 s GLU 104 N -3.71 0.59 0.05 -0.62 2.02 -1.05 -0.78 118.70 115.20 3i20 s GLU 104 Ca 0.20 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.59 3i20 s GLU 104 Cb 0.01 -0.47 -0.02 0.00 0.10 0.00 0.00 34.13 33.75 3i20 s GLU 104 CO 0.04 0.10 -0.12 1.41 0.02 0.00 0.00 175.26 176.71 3i20 s MET 105 N -1.19 0.77 0.00 1.61 -2.45 0.95 -0.83 119.30 118.17 3i20 s MET 105 Ca -0.05 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 53.62 3i20 s MET 105 Cb -0.08 -0.72 0.00 0.00 1.25 0.00 0.00 34.83 35.28 3i20 s MET 105 CO 0.01 0.17 0.00 -3.47 1.05 0.00 0.00 175.02 172.77 3i20 n ASP 106 N 1.69 0.00 -3.41 1.11 2.03 0.78 -0.83 116.55 117.92 3i20 n ASP 106 Ca -0.20 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.75 3i20 n ASP 106 Cb 0.55 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.92 3i20 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i20 n GLY 107 N 3.75 3.78 3.49 0.27 0.00 -1.26 -4.63 105.19 110.59 3i20 n GLY 107 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 3i20 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i20 s VAL 108 N 3.09 0.00 0.25 1.61 1.01 -1.26 -2.80 120.40 122.30 3i20 s VAL 108 Ca 0.55 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 3i20 s VAL 108 Cb 0.15 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 3i20 s VAL 108 CO -0.04 0.00 1.50 -2.84 0.00 0.00 0.00 175.10 173.73 3i20 s PRO 109 N -2.21 4.22 0.07 2.72 0.02 -1.26 -4.81 135.00 133.74 3i20 s PRO 109 Ca -0.04 2.39 -0.08 0.00 0.02 0.00 0.00 61.00 63.29 3i20 s PRO 109 Cb -0.00 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 31.47 3i20 s PRO 109 CO -0.01 -0.51 0.53 0.39 -0.33 0.00 0.00 177.00 177.08 3i20 n GLU 110 N 2.51 -0.11 0.36 5.54 -0.58 -1.26 -1.18 120.64 125.92 3i20 n GLU 110 Ca 0.08 0.52 -0.18 0.00 -0.42 0.00 0.00 57.16 57.17 3i20 n GLU 110 Cb 0.39 -0.78 -0.09 0.00 -0.57 0.00 0.00 31.44 30.40 3i20 n GLU 110 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3i20 h GLU 111 N 0.00 -0.88 0.16 3.49 4.57 -1.99 -1.20 114.58 118.72 3i20 h GLU 111 Ca 0.10 0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3i20 h GLU 111 Cb 0.18 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3i20 h GLU 111 CO -0.33 -0.59 -0.28 1.25 -1.18 0.00 0.00 179.01 177.88 3i20 h LEU 112 N -0.91 -0.80 -0.85 1.64 5.85 -1.52 -1.21 115.31 117.50 3i20 h LEU 112 Ca -0.08 0.08 0.25 0.00 0.84 0.00 0.00 57.88 58.96 3i20 h LEU 112 Cb 0.72 0.28 -0.16 0.00 0.37 0.00 0.00 40.66 41.87 3i20 h LEU 112 CO 0.12 -0.32 0.07 0.00 -0.34 0.00 0.00 178.44 177.96 3i20 n ALA 113 N -2.63 0.49 0.02 1.25 0.00 -0.65 0.99 120.51 119.97 3i20 n ALA 113 Ca -0.05 0.91 0.02 0.00 0.00 0.00 0.00 53.44 54.31 3i20 n ALA 113 Cb 0.23 -0.69 0.35 0.00 0.00 0.00 0.00 19.45 19.34 3i20 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 h ARG 114 N 0.00 0.48 0.52 0.00 3.08 -0.39 0.25 114.38 118.32 3i20 h ARG 114 Ca 0.54 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.49 3i20 h ARG 114 Cb 1.16 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.14 3i20 h ARG 114 CO -0.78 0.46 -0.25 0.93 -1.07 0.00 0.00 179.97 179.26 3i20 h GLU 115 N 0.47 -0.67 -0.56 0.04 4.39 0.18 -2.26 114.58 116.17 3i20 h GLU 115 Ca 0.11 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.97 3i20 h GLU 115 Cb 0.22 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 28.91 3i20 h GLU 115 CO -0.00 -0.40 -0.15 0.00 -1.16 0.00 0.00 179.01 177.30 3i20 h ALA 116 N -1.00 0.34 -0.74 3.43 0.00 0.08 0.71 119.26 122.08 3i20 h ALA 116 Ca -0.07 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i20 h ALA 116 Cb 0.59 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3i20 h ALA 116 CO 0.12 -0.45 0.35 0.74 0.00 0.00 0.00 179.25 180.01 3i20 h PHE 117 N -0.01 1.06 0.00 0.00 0.04 -0.60 -1.34 116.94 116.09 3i20 h PHE 117 Ca 0.27 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 3i20 h PHE 117 Cb 0.42 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3i20 h PHE 117 CO -0.47 0.78 -0.19 -0.22 -0.60 0.00 0.00 178.31 177.60 3i20 h LYS 118 N 1.06 0.00 0.15 1.51 3.64 -0.27 0.23 116.57 122.88 3i20 h LYS 118 Ca 0.26 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3i20 h LYS 118 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i20 h LYS 118 CO -0.03 0.19 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.19 3i20 h LEU 119 N 0.00 -0.17 -2.11 5.20 3.38 -0.18 -3.18 115.31 118.26 3i20 h LEU 119 Ca -0.00 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.68 3i20 h LEU 119 Cb 0.35 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3i20 h LEU 119 CO 0.02 0.39 0.24 0.00 0.09 0.00 0.00 178.44 179.19 3i20 h ALA 120 N -0.31 2.07 -0.33 1.53 0.00 -1.24 -1.27 119.26 119.71 3i20 h ALA 120 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3i20 h ALA 120 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i20 h ALA 120 CO 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.87 3i20 h ALA 121 N 1.78 1.34 -0.41 0.00 0.00 -0.93 -2.80 119.26 118.24 3i20 h ALA 121 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3i20 h ALA 121 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3i20 h ALA 121 CO -0.00 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.75 3i20 h ALA 122 N 1.48 1.32 -0.05 0.00 0.00 -1.26 -2.42 119.26 118.33 3i20 h ALA 122 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i20 h ALA 122 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i20 h ALA 122 CO 0.02 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.37 3i20 n LYS 123 N -4.28 1.13 -4.47 0.00 4.76 -1.06 -4.76 118.16 109.48 3i20 n LYS 123 Ca 0.02 -0.18 -0.30 0.00 -2.87 0.00 0.00 58.31 54.98 3i20 n LYS 123 Cb 0.24 -1.10 -0.12 0.00 -1.84 0.00 0.00 35.03 32.21 3i20 n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i20 s LEU 124 N -0.91 2.67 0.00 -0.35 1.43 -0.91 -4.72 118.68 115.89 3i20 s LEU 124 Ca 0.03 -0.49 0.27 0.00 -1.03 0.00 0.00 54.13 52.91 3i20 s LEU 124 Cb 0.02 -1.54 0.85 0.00 0.03 0.00 0.00 46.19 45.55 3i20 s LEU 124 CO 0.02 0.22 1.63 -0.81 0.23 0.00 0.00 176.35 177.63 3i20 n PRO 125 N 1.15 0.86 -5.06 1.29 -0.04 -1.26 -4.90 135.00 127.04 3i20 n PRO 125 Ca -0.16 -0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 62.53 3i20 n PRO 125 Cb 0.52 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.33 3i20 n PRO 125 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i20 s ILE 126 N -2.47 1.81 0.31 0.52 -5.25 -1.26 -5.05 121.20 109.82 3i20 s ILE 126 Ca 0.26 -0.89 -0.28 0.00 -0.99 0.00 0.00 60.65 58.75 3i20 s ILE 126 Cb 0.19 -1.57 -0.13 0.00 2.95 0.00 0.00 42.46 43.90 3i20 s ILE 126 CO 0.50 0.51 1.12 0.29 -1.79 0.00 0.00 174.94 175.57 3i20 n LYS 127 N 3.42 1.67 -4.40 0.37 5.02 -1.26 -4.83 118.16 118.15 3i20 n LYS 127 Ca -0.19 0.58 -0.20 0.00 -2.02 0.00 0.00 58.31 56.48 3i20 n LYS 127 Cb 0.53 -2.04 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 3i20 n LYS 127 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3i20 s THR 128 N -1.08 1.43 -0.03 -0.18 -4.23 -1.22 -3.40 115.64 106.95 3i20 s THR 128 Ca 0.57 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 3i20 s THR 128 Cb -0.64 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 70.78 3i20 s THR 128 CO 0.61 -0.30 0.13 0.28 -0.54 0.00 0.00 174.62 174.79 3i20 s THR 129 N -3.15 0.04 0.36 3.99 -1.32 0.72 -4.96 115.64 111.32 3i20 s THR 129 Ca 0.29 -0.33 -0.26 0.00 -1.21 0.00 0.00 61.69 60.18 3i20 s THR 129 Cb 0.05 -0.29 -0.09 0.00 -1.51 0.00 0.00 72.50 70.65 3i20 s THR 129 CO 0.11 -0.18 1.11 0.12 -2.21 0.00 0.00 174.62 173.57 3i20 s PHE 130 N -0.59 3.28 0.09 9.09 5.36 -1.26 0.12 117.98 134.07 3i20 s PHE 130 Ca -0.07 1.62 0.02 0.00 -0.96 0.00 0.00 56.93 57.55 3i20 s PHE 130 Cb -0.04 -3.28 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 3i20 s PHE 130 CO 0.01 -0.88 -0.08 0.14 -1.46 0.00 0.00 175.22 172.95 3i20 s VAL 131 N -1.42 0.73 0.43 3.12 -7.23 0.12 -4.83 120.40 111.33 3i20 s VAL 131 Ca 0.54 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 3i20 s VAL 131 Cb -0.28 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 3i20 s VAL 131 CO 0.36 -0.72 0.18 -0.89 -0.31 0.00 0.00 175.10 173.71 3i20 s THR 132 N -2.98 2.12 0.00 5.32 2.01 -1.26 -1.12 115.64 119.72 3i20 s THR 132 Ca 0.07 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.35 3i20 s THR 132 Cb 0.01 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.68 3i20 s THR 132 CO -0.03 0.00 0.83 1.17 -0.69 0.00 0.00 174.62 175.90 3i20 n LYS 133 N -1.28 0.00 0.00 4.92 4.81 -0.80 -4.63 118.16 121.19 3i20 n LYS 133 Ca -0.03 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3i20 n LYS 133 Cb 0.65 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.37 3i20 n LYS 133 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i20 n THR 134 N -1.74 -0.52 0.13 3.15 -1.04 -1.26 -4.51 114.28 108.49 3i20 n THR 134 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 3i20 n THR 134 Cb 0.00 -0.47 0.01 0.00 -1.82 0.00 0.00 70.33 68.05 3i20 n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3i20 h VAL 135 N 0.00 0.86 0.00 12.58 2.07 -2.00 -3.51 116.25 126.25 3i20 h VAL 135 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 3i20 h VAL 135 Cb 0.00 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3i20 h VAL 135 CO 0.00 0.49 0.00 0.80 0.02 0.00 0.00 177.57 178.88