#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 s GLU 2 N 0.00 1.12 -0.29 2.12 0.41 -1.26 -1.27 118.70 119.54 3i20 s GLU 2 Ca 0.00 -0.95 0.02 0.00 -0.41 0.00 0.00 54.97 53.63 3i20 s GLU 2 Cb 0.00 -1.24 0.07 0.00 -1.78 0.00 0.00 34.13 31.18 3i20 s GLU 2 CO 0.00 0.30 -0.05 -0.51 -0.49 0.00 0.00 175.26 174.51 3i20 s LEU 3 N -1.43 3.82 -0.40 1.80 1.43 -1.26 -4.83 118.68 117.80 3i20 s LEU 3 Ca 0.04 -1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 51.33 3i20 s LEU 3 Cb -0.09 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 3i20 s LEU 3 CO 0.02 -0.25 2.31 0.52 0.23 0.00 0.00 176.35 179.19 3i20 n VAL 4 N 4.44 0.14 -1.75 -1.59 0.31 -1.26 -1.57 118.33 117.05 3i20 n VAL 4 Ca -0.10 -0.48 -0.19 0.00 -0.01 0.00 0.00 64.34 63.56 3i20 n VAL 4 Cb 0.42 -2.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.07 3i20 n VAL 4 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i20 s LEU 5 N 9.33 2.99 0.00 7.52 1.43 -1.26 -4.63 118.68 134.06 3i20 s LEU 5 Ca 1.05 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 3i20 s LEU 5 Cb -0.50 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3i20 s LEU 5 CO 0.37 -3.42 0.00 1.17 0.23 0.00 0.00 176.35 174.70 3i20 n LYS 6 N 8.84 0.00 -0.02 1.70 4.81 -0.83 -2.39 118.16 130.28 3i20 n LYS 6 Ca 0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.87 3i20 n LYS 6 Cb 0.45 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.50 3i20 n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3i20 n ASP 7 N 0.00 0.37 -4.33 3.14 3.85 -1.26 -4.79 116.55 113.53 3i20 n ASP 7 Ca 0.00 0.25 -0.09 0.00 -0.71 0.00 0.00 54.79 54.24 3i20 n ASP 7 Cb 0.00 -0.57 -0.08 0.00 -1.35 0.00 0.00 41.12 39.12 3i20 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i20 n ALA 8 N -2.64 0.45 -1.65 2.12 0.00 -1.01 -4.76 120.51 113.02 3i20 n ALA 8 Ca -0.02 -1.45 -0.61 0.00 0.00 0.00 0.00 53.44 51.36 3i20 n ALA 8 Cb 0.07 -2.06 -0.09 0.00 0.00 0.00 0.00 19.45 17.38 3i20 n ALA 8 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i20 n GLN 9 N 6.39 0.63 0.00 0.00 -0.06 -1.25 -4.57 117.38 118.51 3i20 n GLN 9 Ca 0.28 0.22 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 3i20 n GLN 9 Cb 0.43 -1.86 0.00 0.00 -4.06 0.00 0.00 30.24 24.75 3i20 n GLN 9 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i20 n SER 10 N 5.51 0.00 -1.69 1.69 2.88 -1.26 -4.99 113.62 115.76 3i20 n SER 10 Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 3i20 n SER 10 Cb 0.05 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3i20 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i20 n ALA 11 N -1.60 -2.16 -0.07 -1.46 0.00 -1.19 -4.90 120.51 109.13 3i20 n ALA 11 Ca 0.00 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 3i20 n ALA 11 Cb 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.97 3i20 n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i20 n LEU 12 N 0.65 1.75 -1.57 0.00 -0.00 -0.60 -4.77 117.00 112.46 3i20 n LEU 12 Ca 0.00 0.10 -0.01 0.00 -0.00 0.00 0.00 56.01 56.10 3i20 n LEU 12 Cb 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 43.42 43.01 3i20 n LEU 12 CO 0.00 0.70 -0.14 0.41 -0.00 0.00 0.00 177.39 178.37 3i20 n THR 13 N -3.15 -4.96 -4.38 1.96 -1.04 -1.26 -4.89 114.28 96.56 3i20 n THR 13 Ca -0.33 0.66 -0.19 0.00 -2.04 0.00 0.00 64.05 62.14 3i20 n THR 13 Cb 1.06 -3.99 -0.10 0.00 -1.82 0.00 0.00 70.33 65.47 3i20 n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i20 s VAL 14 N -0.14 1.00 -0.13 12.58 -7.23 -0.39 -4.98 120.40 121.11 3i20 s VAL 14 Ca -0.04 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.82 3i20 s VAL 14 Cb 0.00 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3i20 s VAL 14 CO 0.11 -0.09 1.61 -0.44 -0.31 0.00 0.00 175.10 175.98 3i20 s SER 15 N -3.39 6.57 0.58 4.85 0.01 -1.26 -4.65 113.70 116.41 3i20 s SER 15 Ca 0.35 1.95 0.28 0.00 1.31 0.00 0.00 55.95 59.83 3i20 s SER 15 Cb 0.08 -2.53 1.71 0.00 0.21 0.00 0.00 66.02 65.48 3i20 s SER 15 CO 0.13 -1.05 2.19 -0.08 0.41 0.00 0.00 173.24 174.85 3i20 h GLU 16 N 9.93 0.00 0.00 12.44 4.81 -1.96 -2.21 114.58 137.59 3i20 h GLU 16 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3i20 h GLU 16 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3i20 h GLU 16 CO 0.97 0.00 0.00 1.79 -0.73 0.00 0.00 179.01 181.04 3i20 h THR 17 N 0.00 0.00 0.00 0.32 1.35 -1.90 0.57 112.91 113.25 3i20 h THR 17 Ca 0.03 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3i20 h THR 17 Cb 0.17 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3i20 h THR 17 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3i20 n THR 18 N -2.30 0.56 -0.02 6.82 -2.24 -0.85 -4.45 114.28 111.79 3i20 n THR 18 Ca 0.04 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3i20 n THR 18 Cb 0.35 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3i20 n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i20 n PHE 19 N -0.28 0.00 -2.10 4.78 3.72 -1.08 -4.15 117.46 118.36 3i20 n PHE 19 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3i20 n PHE 19 Cb 0.16 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.80 3i20 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i20 n GLY 20 N 0.00 2.78 3.91 1.37 0.00 0.20 -4.39 105.19 109.07 3i20 n GLY 20 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 3i20 n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i20 s ARG 21 N -1.39 3.58 0.47 1.61 1.70 -1.18 -4.85 118.95 118.89 3i20 s ARG 21 Ca 0.35 -0.03 -0.23 0.00 -0.47 0.00 0.00 55.73 55.36 3i20 s ARG 21 Cb 0.38 -2.59 -0.07 0.00 -0.57 0.00 0.00 34.95 32.10 3i20 s ARG 21 CO -0.12 0.10 1.19 -0.51 -1.08 0.00 0.00 175.30 174.88 3i20 s ASP 22 N -3.59 6.04 -0.44 -2.89 1.01 -1.26 -4.76 116.67 110.78 3i20 s ASP 22 Ca 0.44 2.36 -0.25 0.00 0.71 0.00 0.00 52.55 55.81 3i20 s ASP 22 Cb -0.10 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.25 3i20 s ASP 22 CO 0.34 -1.01 0.91 0.12 0.21 0.00 0.00 175.17 175.74 3i20 s PHE 23 N -1.52 2.96 -1.23 4.23 5.36 -1.26 -4.92 117.98 121.60 3i20 s PHE 23 Ca 0.65 0.42 -0.07 0.00 -0.96 0.00 0.00 56.93 56.97 3i20 s PHE 23 Cb -0.30 -3.88 0.20 0.00 -0.34 0.00 0.00 43.02 38.70 3i20 s PHE 23 CO 0.36 -1.04 1.84 -1.71 -1.46 0.00 0.00 175.22 173.21 3i20 n ASN 24 N 7.05 5.88 -0.31 6.13 4.05 -1.26 -4.85 115.26 131.94 3i20 n ASN 24 Ca 0.06 -3.22 0.30 0.00 0.45 0.00 0.00 54.58 52.17 3i20 n ASN 24 Cb 0.48 -1.40 0.56 0.00 1.23 0.00 0.00 39.78 40.66 3i20 n ASN 24 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3i20 n GLU 25 N 2.79 -0.06 0.15 1.20 2.13 -1.26 -0.32 120.64 125.27 3i20 n GLU 25 Ca 0.39 1.34 -0.14 0.00 0.66 0.00 0.00 57.16 59.41 3i20 n GLU 25 Cb 0.34 -2.39 -0.08 0.00 0.27 0.00 0.00 31.44 29.58 3i20 n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i20 h ALA 26 N 1.93 -0.98 -0.18 4.31 0.00 -1.99 -0.34 119.26 122.01 3i20 h ALA 26 Ca 0.81 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.64 3i20 h ALA 26 Cb 2.14 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 20.65 3i20 h ALA 26 CO -0.75 -1.05 -0.01 1.25 0.00 0.00 0.00 179.25 178.69 3i20 h LEU 27 N -0.69 -0.08 -0.78 0.00 5.85 -1.09 -1.04 115.31 117.48 3i20 h LEU 27 Ca -0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3i20 h LEU 27 Cb 0.65 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3i20 h LEU 27 CO -0.16 -0.02 0.43 1.62 -0.34 0.00 0.00 178.44 179.97 3i20 h VAL 28 N 0.05 1.23 -0.13 1.05 3.04 -1.46 -2.33 116.25 117.71 3i20 h VAL 28 Ca 0.08 -0.58 0.02 0.00 -1.01 0.00 0.00 66.70 65.21 3i20 h VAL 28 Cb 0.11 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 29.55 3i20 h VAL 28 CO -0.15 0.26 -0.25 -0.74 -1.01 0.00 0.00 177.57 175.68 3i20 h HIS 29 N 1.08 -0.77 -0.89 3.17 -0.00 0.15 -1.71 115.15 116.19 3i20 h HIS 29 Ca 0.27 0.03 0.18 0.00 -0.00 0.00 0.00 60.37 60.86 3i20 h HIS 29 Cb 0.03 0.35 -0.17 0.00 -0.00 0.00 0.00 27.41 27.63 3i20 h HIS 29 CO 0.00 -0.24 -0.20 0.37 -0.00 0.00 0.00 177.93 177.87 3i20 h GLN 30 N -0.23 0.01 0.46 5.26 4.15 -0.87 0.19 115.11 124.09 3i20 h GLN 30 Ca 0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 3i20 h GLN 30 Cb 0.29 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3i20 h GLN 30 CO -0.24 0.00 -0.22 0.28 -1.93 0.00 0.00 178.83 176.72 3i20 h VAL 31 N 0.01 0.00 -0.88 2.39 2.07 -1.13 -1.46 116.25 117.24 3i20 h VAL 31 Ca 0.43 -0.06 0.21 0.00 0.82 0.00 0.00 66.70 68.10 3i20 h VAL 31 Cb 0.69 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.33 3i20 h VAL 31 CO -0.90 0.00 0.38 -0.37 0.02 0.00 0.00 177.57 176.70 3i20 h VAL 32 N -0.69 0.50 -0.66 2.57 -1.51 -0.88 1.41 116.25 117.00 3i20 h VAL 32 Ca -0.06 -0.14 0.06 0.00 -1.23 0.00 0.00 66.70 65.32 3i20 h VAL 32 Cb 0.48 0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 29.65 3i20 h VAL 32 CO 0.10 0.07 0.43 0.58 -1.23 0.00 0.00 177.57 177.53 3i20 h VAL 33 N 0.41 1.02 -0.00 7.19 2.07 -0.59 -1.35 116.25 125.00 3i20 h VAL 33 Ca 0.54 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.83 3i20 h VAL 33 Cb 1.00 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3i20 h VAL 33 CO -0.51 0.12 -0.13 0.00 0.02 0.00 0.00 177.57 177.07 3i20 n ALA 34 N -2.46 2.75 -0.00 1.67 0.00 0.46 -2.66 120.51 120.26 3i20 n ALA 34 Ca 0.09 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 3i20 n ALA 34 Cb 0.21 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 3i20 n ALA 34 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i20 h TYR 35 N 0.30 0.45 -0.61 0.00 5.03 0.18 -3.38 116.97 118.94 3i20 h TYR 35 Ca 0.00 -0.33 -0.09 0.00 2.58 0.00 0.00 58.73 60.89 3i20 h TYR 35 Cb 0.40 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 3i20 h TYR 35 CO 0.00 1.75 0.02 0.00 -1.32 0.00 0.00 178.16 178.61 3i20 h ALA 36 N 0.01 0.82 -2.30 1.82 0.00 -1.33 -3.28 119.26 115.01 3i20 h ALA 36 Ca -0.41 -0.30 -0.48 0.00 0.00 0.00 0.00 54.91 53.71 3i20 h ALA 36 Cb 1.96 -0.23 0.16 0.00 0.00 0.00 0.00 17.79 19.69 3i20 h ALA 36 CO 0.06 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.17 3i20 s ALA 37 N -5.06 1.19 0.00 0.00 0.00 -1.09 -2.78 121.76 114.02 3i20 s ALA 37 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3i20 s ALA 37 Cb 0.13 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3i20 s ALA 37 CO 0.85 -2.67 0.00 0.41 0.00 0.00 0.00 175.76 174.36 3i20 n GLY 38 N -0.63 0.00 0.03 0.00 0.00 -1.26 -4.20 105.19 99.14 3i20 n GLY 38 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3i20 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 n ALA 39 N 0.99 3.16 -1.67 4.61 0.00 -1.12 -4.88 120.51 121.61 3i20 n ALA 39 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 53.44 52.81 3i20 n ALA 39 Cb 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.31 3i20 n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i20 s ARG 40 N -3.09 3.16 0.29 0.00 0.52 -1.23 -5.07 118.95 113.52 3i20 s ARG 40 Ca 0.08 1.51 0.09 0.00 -0.52 0.00 0.00 55.73 56.90 3i20 s ARG 40 Cb 0.15 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 3i20 s ARG 40 CO 0.71 -0.99 0.04 1.14 0.02 0.00 0.00 175.30 176.22 3i20 s GLN 41 N -3.61 2.31 0.00 3.54 -2.07 -1.26 -4.88 119.66 113.69 3i20 s GLN 41 Ca 0.70 -1.47 0.00 0.00 -1.82 0.00 0.00 55.36 52.77 3i20 s GLN 41 Cb -0.22 -2.15 0.00 0.00 -1.09 0.00 0.00 33.01 29.55 3i20 s GLN 41 CO 0.32 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.99 3i20 n GLY 42 N -0.97 1.30 2.59 2.60 0.00 -1.26 -4.99 105.19 104.46 3i20 n GLY 42 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3i20 n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i20 n THR 43 N 0.00 -8.27 -3.63 2.61 -2.24 -1.26 -4.81 114.28 96.69 3i20 n THR 43 Ca 0.00 1.80 -0.14 0.00 -2.27 0.00 0.00 64.05 63.44 3i20 n THR 43 Cb 0.00 -4.74 -0.07 0.00 -2.10 0.00 0.00 70.33 63.42 3i20 n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i20 s ARG 44 N -0.39 0.84 0.00 -0.78 1.81 -1.26 -4.93 118.95 114.24 3i20 s ARG 44 Ca -0.12 0.97 0.00 0.00 -1.72 0.00 0.00 55.73 54.86 3i20 s ARG 44 Cb 0.01 0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.92 3i20 s ARG 44 CO 0.31 -0.11 0.00 0.00 -0.68 0.00 0.00 175.30 174.83 3i20 n ALA 45 N 2.62 0.00 -0.78 2.13 0.00 -1.26 -3.93 120.51 119.29 3i20 n ALA 45 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i20 n ALA 45 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3i20 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n GLN 46 N 0.00 0.00 -4.08 0.00 0.00 -1.26 -3.92 117.38 108.12 3i20 n GLN 46 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.00 56.72 3i20 n GLN 46 Cb 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 30.24 29.79 3i20 n GLN 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i20 s LYS 47 N -2.38 2.85 0.34 2.61 1.02 -1.26 -4.40 119.74 118.52 3i20 s LYS 47 Ca 0.00 -0.83 0.07 0.00 0.02 0.00 0.00 55.97 55.22 3i20 s LYS 47 Cb 0.00 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3i20 s LYS 47 CO 0.00 0.51 0.48 0.95 -0.92 0.00 0.00 175.35 176.36 3i20 s THR 48 N -1.63 4.03 -0.96 2.17 -4.23 -1.26 -4.33 115.64 109.43 3i20 s THR 48 Ca 0.30 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 3i20 s THR 48 Cb -0.11 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.34 3i20 s THR 48 CO 0.23 -0.15 0.57 -2.11 -0.54 0.00 0.00 174.62 172.61 3i20 n ARG 49 N -1.65 0.00 0.02 3.99 1.85 -1.25 0.43 116.66 120.04 3i20 n ARG 49 Ca 0.00 0.16 -0.14 0.00 -1.00 0.00 0.00 57.85 56.87 3i20 n ARG 49 Cb 0.58 -1.59 -0.14 0.00 -1.05 0.00 0.00 32.46 30.26 3i20 n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i20 h ALA 50 N 1.28 0.52 -0.07 2.89 0.00 -1.93 -3.39 119.26 118.56 3i20 h ALA 50 Ca 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 54.91 53.57 3i20 h ALA 50 Cb 0.18 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3i20 h ALA 50 CO 0.00 1.37 -0.35 -0.85 0.00 0.00 0.00 179.25 179.42 3i20 n GLU 51 N -3.29 1.62 -3.72 0.00 0.28 0.17 -4.97 120.64 110.74 3i20 n GLU 51 Ca -0.19 -3.19 -0.38 0.00 -0.16 0.00 0.00 57.16 53.24 3i20 n GLU 51 Cb 1.04 -1.64 -0.12 0.00 1.43 0.00 0.00 31.44 32.14 3i20 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i20 s VAL 52 N -3.19 4.23 -0.43 3.84 1.01 -1.18 -4.79 120.40 119.90 3i20 s VAL 52 Ca 0.39 -0.58 -0.38 0.00 0.00 0.00 0.00 61.98 61.41 3i20 s VAL 52 Cb 0.36 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 33.41 3i20 s VAL 52 CO -0.04 0.08 1.80 0.41 0.00 0.00 0.00 175.10 177.34 3i20 n THR 53 N 4.92 0.00 -1.43 3.92 -1.04 -1.26 -4.76 114.28 114.62 3i20 n THR 53 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3i20 n THR 53 Cb 0.48 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 3i20 n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i20 n GLY 54 N 6.23 1.65 3.17 3.41 0.00 -1.26 -5.09 105.19 113.30 3i20 n GLY 54 Ca 0.46 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3i20 n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i20 s SER 55 N 2.00 -0.06 0.00 1.61 1.04 -1.26 -5.02 113.70 112.01 3i20 s SER 55 Ca 0.00 -0.12 0.10 0.00 0.48 0.00 0.00 55.95 56.41 3i20 s SER 55 Cb 0.00 0.26 0.47 0.00 0.10 0.00 0.00 66.02 66.85 3i20 s SER 55 CO 0.00 -0.43 1.23 0.61 0.98 0.00 0.00 173.24 175.63 3i20 n GLY 56 N 1.25 -0.68 3.62 7.32 0.00 -1.26 -4.68 105.19 110.75 3i20 n GLY 56 Ca -0.22 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3i20 n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i20 n LYS 57 N -1.35 0.45 -3.05 1.61 4.81 -1.26 -4.79 118.16 114.57 3i20 n LYS 57 Ca 0.04 0.21 -0.43 0.00 -0.87 0.00 0.00 58.31 57.26 3i20 n LYS 57 Cb 0.09 -2.23 -0.06 0.00 0.02 0.00 0.00 35.03 32.84 3i20 n LYS 57 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3i20 s LYS 58 N -3.43 3.29 0.00 1.64 2.20 -1.26 -4.37 119.74 117.81 3i20 s LYS 58 Ca 0.73 -0.37 -0.00 0.00 -0.36 0.00 0.00 55.97 55.97 3i20 s LYS 58 Cb -0.33 -3.98 -0.00 0.00 -1.51 0.00 0.00 37.83 32.01 3i20 s LYS 58 CO 0.51 -1.11 0.38 -2.30 -0.36 0.00 0.00 175.35 172.46 3i20 n PRO 59 N 6.48 -0.00 -0.69 4.03 -0.02 -1.26 -4.68 135.00 138.85 3i20 n PRO 59 Ca -0.01 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3i20 n PRO 59 Cb 0.48 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 3i20 n PRO 59 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3i20 n TRP 60 N -2.40 0.00 -2.39 6.00 2.14 -1.26 -5.11 117.44 114.41 3i20 n TRP 60 Ca 0.00 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.27 3i20 n TRP 60 Cb 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.49 3i20 n TRP 60 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 3i20 s ARG 61 N -0.04 3.66 0.31 -2.67 0.52 -1.26 -4.89 118.95 114.58 3i20 s ARG 61 Ca 0.00 0.54 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 3i20 s ARG 61 Cb 0.00 -2.25 0.52 0.00 0.52 0.00 0.00 34.95 33.75 3i20 s ARG 61 CO 0.00 -0.30 1.84 0.37 0.02 0.00 0.00 175.30 177.23 3i20 h GLN 62 N 0.33 0.61 -3.84 3.54 5.75 -1.90 -3.43 115.11 116.16 3i20 h GLN 62 Ca -0.46 -0.14 -0.19 0.00 -0.15 0.00 0.00 58.65 57.71 3i20 h GLN 62 Cb 1.19 -0.08 -0.24 0.00 1.07 0.00 0.00 27.48 29.42 3i20 h GLN 62 CO 0.62 0.62 -0.69 0.15 -2.65 0.00 0.00 178.83 176.88 3i20 s LYS 63 N -4.99 0.19 0.00 1.69 1.02 -1.26 -4.52 119.74 111.87 3i20 s LYS 63 Ca -0.08 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.57 3i20 s LYS 63 Cb 0.15 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 3i20 s LYS 63 CO 0.78 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.59 3i20 n GLY 64 N 2.21 3.08 3.76 -3.33 0.00 -1.26 -5.05 105.19 104.61 3i20 n GLY 64 Ca -0.19 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 3i20 n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i20 s THR 65 N -0.27 2.98 0.56 2.61 -1.32 -1.26 -4.89 115.64 114.04 3i20 s THR 65 Ca 0.00 0.53 0.23 0.00 -1.21 0.00 0.00 61.69 61.24 3i20 s THR 65 Cb 0.00 -3.12 0.31 0.00 -1.51 0.00 0.00 72.50 68.18 3i20 s THR 65 CO 0.00 -0.21 2.20 1.23 -2.21 0.00 0.00 174.62 175.64 3i20 h GLY 66 N 0.51 0.00 -0.61 6.08 0.00 -1.99 -3.45 103.07 103.61 3i20 h GLY 66 Ca -0.49 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.59 3i20 h GLY 66 CO 0.55 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.59 3i20 n ARG 67 N -4.19 -3.31 -3.93 4.80 5.12 -1.26 -5.00 116.66 108.89 3i20 n ARG 67 Ca -0.03 -1.05 -0.31 0.00 -1.93 0.00 0.00 57.85 54.53 3i20 n ARG 67 Cb 0.09 -1.19 -0.14 0.00 -1.16 0.00 0.00 32.46 30.06 3i20 n ARG 67 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i20 s ALA 68 N -2.47 3.25 0.00 7.54 0.00 -1.26 -4.94 121.76 123.88 3i20 s ALA 68 Ca 0.46 -3.09 0.00 0.00 0.00 0.00 0.00 51.96 49.32 3i20 s ALA 68 Cb -0.06 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.87 3i20 s ALA 68 CO 0.37 -1.95 0.00 0.54 0.00 0.00 0.00 175.76 174.72 3i20 n ARG 69 N 3.44 0.00 -0.63 0.00 5.12 -1.26 -4.94 116.66 118.39 3i20 n ARG 69 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3i20 n ARG 69 Cb 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.65 3i20 n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i20 n SER 70 N 10.28 -3.77 0.00 0.55 3.41 -1.26 -4.65 113.62 118.18 3i20 n SER 70 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3i20 n SER 70 Cb 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 3i20 n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i20 n GLY 71 N -1.34 0.00 3.50 5.00 0.00 -1.26 -4.75 105.19 106.34 3i20 n GLY 71 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3i20 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i20 s SER 72 N -0.16 -1.00 0.00 1.61 0.15 -1.26 -4.21 113.70 108.83 3i20 s SER 72 Ca 0.00 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.87 3i20 s SER 72 Cb 0.00 2.08 0.00 0.00 -1.71 0.00 0.00 66.02 66.39 3i20 s SER 72 CO 0.00 -0.19 0.18 0.00 1.20 0.00 0.00 173.24 174.43 3i20 n ILE 73 N 5.32 0.00 0.00 6.45 3.06 -1.26 -1.03 119.36 131.90 3i20 n ILE 73 Ca -0.10 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.21 3i20 n ILE 73 Cb 0.50 -0.21 -0.09 0.00 0.54 0.00 0.00 39.64 40.38 3i20 n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3i20 n LYS 74 N 0.10 0.39 -1.33 9.51 5.02 -1.26 -4.80 118.16 125.78 3i20 n LYS 74 Ca 0.00 -0.11 -0.52 0.00 -2.02 0.00 0.00 58.31 55.66 3i20 n LYS 74 Cb 0.05 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 3i20 n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i20 n SER 75 N -1.91 0.92 0.16 4.39 2.88 -0.20 -3.64 113.62 116.22 3i20 n SER 75 Ca -0.02 0.90 0.06 0.00 -1.33 0.00 0.00 58.87 58.48 3i20 n SER 75 Cb 0.31 -0.68 0.32 0.00 -0.75 0.00 0.00 64.21 63.41 3i20 n SER 75 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i20 n PRO 76 N 3.23 0.08 -0.07 -1.46 -0.04 -1.26 -0.03 135.00 135.45 3i20 n PRO 76 Ca 0.25 0.56 -0.14 0.00 -0.04 0.00 0.00 63.50 64.13 3i20 n PRO 76 Cb -0.05 -2.10 -0.14 0.00 -0.04 0.00 0.00 33.50 31.17 3i20 n PRO 76 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i20 n ILE 77 N -2.01 1.52 -0.58 0.52 3.06 -1.26 -4.42 119.36 116.19 3i20 n ILE 77 Ca -0.01 -0.74 -0.23 0.00 -2.50 0.00 0.00 62.75 59.27 3i20 n ILE 77 Cb 0.35 -1.03 0.15 0.00 0.54 0.00 0.00 39.64 39.65 3i20 n ILE 77 CO 0.00 0.00 0.00 0.79 -2.50 0.00 0.00 176.55 174.84 3i20 n TRP 78 N -3.06 -2.09 0.00 9.51 5.03 0.96 -5.00 117.44 122.79 3i20 n TRP 78 Ca -0.33 0.04 0.00 0.00 3.03 0.00 0.00 57.50 60.25 3i20 n TRP 78 Cb 1.07 -1.43 0.00 0.00 -1.03 0.00 0.00 31.31 29.93 3i20 n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3i20 n ARG 79 N -1.72 3.46 0.00 -0.99 0.63 -1.26 -4.78 116.66 111.99 3i20 n ARG 79 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3i20 n ARG 79 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 3i20 n ARG 79 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i20 n SER 80 N 0.00 0.00 0.00 6.15 2.88 -1.26 -4.60 113.62 116.79 3i20 n SER 80 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i20 n SER 80 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i20 n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i20 n GLY 81 N 0.00 1.92 0.00 0.46 0.00 -1.26 -4.79 105.19 101.52 3i20 n GLY 81 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3i20 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 82 N 2.55 -0.21 1.78 -0.02 0.00 -1.24 -4.30 105.19 103.74 3i20 n GLY 82 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 3i20 n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i20 n VAL 83 N 0.00 -5.72 0.09 1.61 0.31 -1.26 -3.97 118.33 109.38 3i20 n VAL 83 Ca 0.00 0.78 0.02 0.00 -0.01 0.00 0.00 64.34 65.13 3i20 n VAL 83 Cb 0.00 -4.32 0.36 0.00 -0.91 0.00 0.00 33.84 28.97 3i20 n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i20 h THR 84 N 1.13 1.18 -1.22 2.52 2.02 -1.89 -3.26 112.91 113.39 3i20 h THR 84 Ca -0.15 -0.80 -0.39 0.00 0.77 0.00 0.00 66.41 65.84 3i20 h THR 84 Cb 0.34 1.15 -0.39 0.00 -1.74 0.00 0.00 68.15 67.52 3i20 h THR 84 CO 0.00 0.25 -1.16 0.49 0.37 0.00 0.00 175.52 175.48 3i20 n PHE 85 N -4.27 0.71 -1.21 3.16 3.72 -1.26 -5.03 117.46 113.28 3i20 n PHE 85 Ca -0.00 -3.03 -0.41 0.00 -0.05 0.00 0.00 57.45 53.96 3i20 n PHE 85 Cb 0.27 -0.30 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 3i20 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i20 n ALA 86 N 0.02 -2.66 -1.78 4.37 0.00 -1.23 -4.90 120.51 114.33 3i20 n ALA 86 Ca 0.13 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 3i20 n ALA 86 Cb 0.78 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 3i20 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 s ALA 87 N -0.95 3.19 0.21 0.00 0.00 -1.25 -4.99 121.76 117.97 3i20 s ALA 87 Ca 0.55 0.55 0.07 0.00 0.00 0.00 0.00 51.96 53.13 3i20 s ALA 87 Cb -0.78 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 3i20 s ALA 87 CO 0.49 0.11 0.14 1.03 0.00 0.00 0.00 175.76 177.53 3i20 s ARG 88 N -2.17 2.81 0.76 0.00 1.81 -1.26 -4.46 118.95 116.45 3i20 s ARG 88 Ca 0.52 -1.02 -0.15 0.00 -1.72 0.00 0.00 55.73 53.36 3i20 s ARG 88 Cb -0.19 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 3i20 s ARG 88 CO 0.24 0.43 0.75 -0.35 -0.68 0.00 0.00 175.30 175.70 3i20 n PRO 89 N -0.74 0.28 -4.52 3.54 -0.04 -1.25 -4.71 135.00 127.55 3i20 n PRO 89 Ca -0.08 0.15 -0.25 0.00 -0.04 0.00 0.00 63.50 63.27 3i20 n PRO 89 Cb 0.57 -2.05 -0.08 0.00 -0.04 0.00 0.00 33.50 31.90 3i20 n PRO 89 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i20 s GLN 90 N -3.24 1.91 -0.15 0.54 -0.21 -1.26 -4.91 119.66 112.34 3i20 s GLN 90 Ca 0.68 -2.16 0.02 0.00 0.02 0.00 0.00 55.36 53.92 3i20 s GLN 90 Cb -0.32 -0.69 0.02 0.00 1.00 0.00 0.00 33.01 33.01 3i20 s GLN 90 CO 0.56 -0.44 -0.19 0.34 -2.12 0.00 0.00 175.29 173.44 3i20 s ASP 91 N -3.61 2.96 0.00 5.90 2.15 -1.26 -4.03 116.67 118.78 3i20 s ASP 91 Ca 0.24 -0.57 0.23 0.00 0.43 0.00 0.00 52.55 52.87 3i20 s ASP 91 Cb 0.03 -1.37 0.49 0.00 -0.30 0.00 0.00 42.92 41.77 3i20 s ASP 91 CO 0.14 0.03 1.43 1.41 -0.17 0.00 0.00 175.17 178.01 3i20 n HIS 92 N 4.33 0.49 -1.64 -5.34 8.25 -1.26 -4.98 115.22 115.07 3i20 n HIS 92 Ca -0.20 -0.25 -0.43 0.00 -0.26 0.00 0.00 57.72 56.59 3i20 n HIS 92 Cb 0.51 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 3i20 n HIS 92 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i20 n SER 93 N 1.32 1.95 -4.16 0.41 7.64 -1.26 -4.06 113.62 115.44 3i20 n SER 93 Ca 0.19 1.16 -0.19 0.00 1.01 0.00 0.00 58.87 61.04 3i20 n SER 93 Cb 0.56 -1.39 0.01 0.00 -1.01 0.00 0.00 64.21 62.38 3i20 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i20 n GLN 94 N 0.51 0.86 0.00 1.43 6.02 -1.26 -4.97 117.38 119.96 3i20 n GLN 94 Ca 0.07 -2.59 0.00 0.00 -0.01 0.00 0.00 57.00 54.47 3i20 n GLN 94 Cb 0.35 0.24 0.00 0.00 1.02 0.00 0.00 30.24 31.85 3i20 n GLN 94 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3i20 n LYS 95 N -1.53 0.00 -1.34 -1.09 4.81 -1.26 -5.11 118.16 112.65 3i20 n LYS 95 Ca -0.00 0.03 -0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3i20 n LYS 95 Cb 0.47 -0.26 -0.00 0.00 0.02 0.00 0.00 35.03 35.26 3i20 n LYS 95 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i20 n VAL 96 N -1.34 -3.22 -1.94 3.15 0.31 -1.26 -4.97 118.33 109.06 3i20 n VAL 96 Ca 0.00 0.19 -0.40 0.00 -0.01 0.00 0.00 64.34 64.12 3i20 n VAL 96 Cb 0.00 -3.46 -0.00 0.00 -0.91 0.00 0.00 33.84 29.46 3i20 n VAL 96 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3i20 s ASN 97 N -0.04 6.33 0.15 4.52 0.02 -1.26 -4.83 114.94 119.84 3i20 s ASN 97 Ca -0.01 2.83 -0.31 0.00 -1.02 0.00 0.00 52.86 54.35 3i20 s ASN 97 Cb 0.00 -2.65 -0.07 0.00 0.02 0.00 0.00 41.25 38.55 3i20 s ASN 97 CO 0.03 -0.85 1.54 0.11 0.02 0.00 0.00 177.10 177.95 3i20 h LYS 98 N 2.86 -0.11 -0.57 -0.60 1.57 -1.99 0.58 116.57 118.30 3i20 h LYS 98 Ca -0.50 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.36 3i20 h LYS 98 Cb 1.24 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.52 3i20 h LYS 98 CO 0.63 -0.08 0.24 0.87 -0.57 0.00 0.00 179.45 180.55 3i20 h LYS 99 N -0.12 0.43 -0.89 3.15 1.57 -1.99 0.15 116.57 118.87 3i20 h LYS 99 Ca 0.14 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 3i20 h LYS 99 Cb 0.47 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 3i20 h LYS 99 CO -0.84 0.29 0.56 0.52 -0.57 0.00 0.00 179.45 179.41 3i20 h MET 100 N 0.45 1.02 0.40 3.15 2.86 -1.68 0.47 114.93 121.59 3i20 h MET 100 Ca 0.28 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3i20 h MET 100 Cb 0.29 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3i20 h MET 100 CO -0.25 0.68 -0.19 -0.92 1.06 0.00 0.00 176.91 177.29 3i20 h TYR 101 N 1.05 -0.50 -0.84 -0.22 3.20 0.84 0.56 116.97 121.07 3i20 h TYR 101 Ca 0.38 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.45 3i20 h TYR 101 Cb 0.11 0.16 -0.13 0.00 1.54 0.00 0.00 36.73 38.41 3i20 h TYR 101 CO -0.02 -0.31 0.19 0.00 -1.64 0.00 0.00 178.16 176.37 3i20 h ARG 102 N -0.57 0.20 -0.24 1.82 3.08 -0.86 0.48 114.38 118.28 3i20 h ARG 102 Ca -0.05 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.03 3i20 h ARG 102 Cb 0.41 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 3i20 h ARG 102 CO 0.09 0.13 -0.47 0.78 -1.07 0.00 0.00 179.97 179.43 3i20 h GLY 103 N 0.20 -0.80 2.00 0.04 0.00 0.21 0.09 103.07 104.82 3i20 h GLY 103 Ca 0.51 0.59 -0.03 0.00 0.00 0.00 0.00 47.33 48.40 3i20 h GLY 103 CO -0.64 -0.19 -0.14 0.00 0.00 0.00 0.00 176.54 175.57 3i20 h ALA 104 N 0.08 1.38 -0.29 3.60 0.00 0.12 -1.66 119.26 122.50 3i20 h ALA 104 Ca 0.08 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3i20 h ALA 104 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i20 h ALA 104 CO -0.48 0.18 -0.40 -0.07 0.00 0.00 0.00 179.25 178.47 3i20 h LEU 105 N 0.00 0.75 -0.54 0.00 3.38 0.18 -1.93 115.31 117.15 3i20 h LEU 105 Ca -0.00 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 3i20 h LEU 105 Cb 0.34 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3i20 h LEU 105 CO 0.02 1.06 -0.10 0.11 0.09 0.00 0.00 178.44 179.62 3i20 h LYS 106 N 0.58 1.03 0.12 1.13 1.57 -0.14 -1.95 116.57 118.90 3i20 h LYS 106 Ca 0.05 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 3i20 h LYS 106 Cb 0.94 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3i20 h LYS 106 CO 0.09 1.07 -0.06 0.77 -0.57 0.00 0.00 179.45 180.75 3i20 h SER 107 N 0.90 -0.13 -0.41 0.86 0.02 -1.22 -0.26 113.55 113.31 3i20 h SER 107 Ca 0.14 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3i20 h SER 107 Cb 0.67 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 3i20 h SER 107 CO 0.05 0.32 0.27 -0.29 -1.14 0.00 0.00 176.83 176.03 3i20 h ILE 108 N -0.62 1.10 0.87 3.27 -0.00 -1.45 -0.67 117.51 120.02 3i20 h ILE 108 Ca -0.02 -0.19 -0.04 0.00 -0.00 0.00 0.00 64.86 64.61 3i20 h ILE 108 Cb 0.48 0.51 0.01 0.00 -0.00 0.00 0.00 36.82 37.82 3i20 h ILE 108 CO 0.03 0.10 -0.42 0.25 -0.00 0.00 0.00 178.15 178.11 3i20 h LEU 109 N 0.55 -0.99 -2.03 2.19 7.12 -1.17 -1.28 115.31 119.70 3i20 h LEU 109 Ca 0.15 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.22 3i20 h LEU 109 Cb -0.06 0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 3i20 h LEU 109 CO -0.03 -0.70 0.08 0.28 -0.13 0.00 0.00 178.44 177.94 3i20 h SER 110 N -1.19 0.00 0.02 1.25 0.02 -0.64 -1.46 113.55 111.55 3i20 h SER 110 Ca -0.12 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.56 3i20 h SER 110 Cb 0.90 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.46 3i20 h SER 110 CO 0.20 0.00 -1.05 -0.33 -1.14 0.00 0.00 176.83 174.50 3i20 h GLU 111 N 0.00 0.68 -0.00 3.45 4.39 -1.01 -2.41 114.58 119.68 3i20 h GLU 111 Ca 0.05 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.99 3i20 h GLU 111 Cb 0.21 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3i20 h GLU 111 CO -0.00 1.33 0.15 -0.07 -1.16 0.00 0.00 179.01 179.26 3i20 h LEU 112 N 0.36 0.00 0.00 1.33 3.38 -0.15 0.78 115.31 121.01 3i20 h LEU 112 Ca -0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3i20 h LEU 112 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 3i20 h LEU 112 CO 0.21 0.00 -1.44 0.55 0.09 0.00 0.00 178.44 177.84 3i20 n VAL 113 N -2.99 0.57 0.04 1.22 3.14 -1.03 -0.14 118.33 119.15 3i20 n VAL 113 Ca -0.03 -0.57 -0.12 0.00 -2.96 0.00 0.00 64.34 60.65 3i20 n VAL 113 Cb 0.21 -0.31 -0.14 0.00 -1.06 0.00 0.00 33.84 32.54 3i20 n VAL 113 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3i20 h ARG 114 N 0.00 0.13 -0.56 1.45 2.43 0.90 -2.91 114.38 115.82 3i20 h ARG 114 Ca -0.06 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3i20 h ARG 114 Cb 1.16 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3i20 h ARG 114 CO 0.01 0.93 0.00 1.04 -1.51 0.00 0.00 179.97 180.44 3i20 n GLN 115 N -3.33 2.51 -3.54 0.20 1.13 0.73 -4.92 117.38 110.15 3i20 n GLN 115 Ca -0.13 -1.69 -0.13 0.00 -1.94 0.00 0.00 57.00 53.11 3i20 n GLN 115 Cb 1.02 -1.57 -0.01 0.00 0.11 0.00 0.00 30.24 29.79 3i20 n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3i20 n ASP 116 N 0.64 -0.66 -0.51 1.08 5.68 -1.10 -4.77 116.55 116.90 3i20 n ASP 116 Ca 0.15 -0.40 0.12 0.00 -0.50 0.00 0.00 54.79 54.16 3i20 n ASP 116 Cb 0.54 -0.48 0.09 0.00 -1.14 0.00 0.00 41.12 40.12 3i20 n ASP 116 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i20 n ARG 117 N -2.17 1.30 -3.47 0.11 1.74 0.81 -4.79 116.66 110.19 3i20 n ARG 117 Ca -0.06 -1.03 -0.38 0.00 -0.77 0.00 0.00 57.85 55.61 3i20 n ARG 117 Cb 0.19 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.06 3i20 n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i20 s LEU 118 N -2.41 4.07 -0.14 0.55 0.20 0.66 -0.82 118.68 120.79 3i20 s LEU 118 Ca 0.21 0.25 -0.00 0.00 0.69 0.00 0.00 54.13 55.28 3i20 s LEU 118 Cb 0.19 -2.34 0.03 0.00 -0.43 0.00 0.00 46.19 43.64 3i20 s LEU 118 CO 0.52 -0.10 -0.06 0.27 -0.29 0.00 0.00 176.35 176.69 3i20 s ILE 119 N 1.71 1.06 -0.01 6.68 -0.00 -0.98 -4.88 121.20 124.78 3i20 s ILE 119 Ca 0.13 -0.46 -0.11 0.00 -0.00 0.00 0.00 60.65 60.21 3i20 s ILE 119 Cb -0.15 -1.16 -0.05 0.00 -0.00 0.00 0.00 42.46 41.09 3i20 s ILE 119 CO 0.09 0.24 0.34 0.54 -0.00 0.00 0.00 174.94 176.15 3i20 s VAL 120 N 1.67 5.17 0.21 8.37 0.11 -1.24 -4.10 120.40 130.59 3i20 s VAL 120 Ca 0.03 0.57 0.04 0.00 -2.93 0.00 0.00 61.98 59.68 3i20 s VAL 120 Cb -0.14 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.04 3i20 s VAL 120 CO -0.08 0.51 -0.02 0.68 -3.33 0.00 0.00 175.10 172.86 3i20 s VAL 121 N -1.15 1.03 -0.45 2.04 -7.23 -0.97 -1.96 120.40 111.71 3i20 s VAL 121 Ca 0.24 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 3i20 s VAL 121 Cb -0.15 -2.22 0.05 0.00 0.56 0.00 0.00 36.38 34.62 3i20 s VAL 121 CO 0.13 -0.42 0.41 -1.61 -0.31 0.00 0.00 175.10 173.29 3i20 s GLU 122 N -3.85 3.01 0.12 4.82 2.02 -1.26 -1.16 118.70 122.40 3i20 s GLU 122 Ca 0.26 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.14 3i20 s GLU 122 Cb 0.05 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 30.22 3i20 s GLU 122 CO 0.07 -0.96 0.00 1.17 0.02 0.00 0.00 175.26 175.56 3i20 n LYS 123 N 5.38 -1.41 -3.43 1.61 3.00 -1.26 -5.01 118.16 117.05 3i20 n LYS 123 Ca -0.10 1.02 -0.16 0.00 -0.00 0.00 0.00 58.31 59.07 3i20 n LYS 123 Cb 0.45 -1.13 -0.11 0.00 0.00 0.00 0.00 35.03 34.24 3i20 n LYS 123 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3i20 s PHE 124 N -1.52 -0.48 -0.12 5.64 2.19 -1.26 -5.03 117.98 117.41 3i20 s PHE 124 Ca 0.00 0.23 -0.28 0.00 0.33 0.00 0.00 56.93 57.21 3i20 s PHE 124 Cb 0.00 -0.31 0.07 0.00 -1.31 0.00 0.00 43.02 41.47 3i20 s PHE 124 CO 0.00 -0.74 0.67 0.45 1.83 0.00 0.00 175.22 177.43 3i20 s SER 125 N 2.39 -0.67 0.25 6.13 0.15 -1.26 -4.99 113.70 115.70 3i20 s SER 125 Ca 0.09 0.93 -0.04 0.00 0.70 0.00 0.00 55.95 57.64 3i20 s SER 125 Cb -0.15 0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 64.94 3i20 s SER 125 CO -0.20 -0.48 0.49 0.54 1.20 0.00 0.00 173.24 174.79 3i20 s VAL 126 N -0.67 5.09 -2.28 4.45 0.11 -1.26 -5.00 120.40 120.84 3i20 s VAL 126 Ca -0.07 -0.06 0.23 0.00 -2.93 0.00 0.00 61.98 59.14 3i20 s VAL 126 Cb -0.02 -3.72 0.50 0.00 -1.53 0.00 0.00 36.38 31.62 3i20 s VAL 126 CO 0.07 -0.24 1.64 -1.84 -3.33 0.00 0.00 175.10 171.40 3i20 n GLU 127 N -0.73 1.60 0.00 1.54 0.00 -1.26 -4.71 120.64 117.07 3i20 n GLU 127 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 57.16 56.25 3i20 n GLU 127 Cb 0.54 -1.40 0.00 0.00 0.00 0.00 0.00 31.44 30.57 3i20 n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i20 n ALA 128 N 0.10 0.00 -1.18 -1.84 0.00 -1.26 -5.07 120.51 111.26 3i20 n ALA 128 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 3i20 n ALA 128 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 3i20 n ALA 128 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i20 n PRO 129 N -0.20 2.05 -3.82 0.00 -0.02 -1.26 -4.78 135.00 126.96 3i20 n PRO 129 Ca 0.00 -1.93 -0.28 0.00 -2.02 0.00 0.00 63.50 59.26 3i20 n PRO 129 Cb 0.00 -2.88 -0.16 0.00 -0.02 0.00 0.00 33.50 30.44 3i20 n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i20 s LYS 130 N 4.09 1.06 0.28 -0.52 -0.14 -1.26 -4.74 119.74 118.51 3i20 s LYS 130 Ca 0.52 -0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 54.52 3i20 s LYS 130 Cb 0.14 -2.21 0.62 0.00 -1.68 0.00 0.00 37.83 34.69 3i20 s LYS 130 CO 0.03 -0.59 1.60 1.79 -0.76 0.00 0.00 175.35 177.43 3i20 h THR 131 N 6.54 0.17 -0.98 2.17 1.35 -1.86 0.36 112.91 120.66 3i20 h THR 131 Ca -0.18 -0.02 0.31 0.00 -0.55 0.00 0.00 66.41 65.96 3i20 h THR 131 Cb 1.10 0.10 -0.15 0.00 -1.73 0.00 0.00 68.15 67.47 3i20 h THR 131 CO 0.37 0.01 0.50 0.50 -0.25 0.00 0.00 175.52 176.65 3i20 h LYS 132 N 0.07 0.29 -0.01 4.72 3.64 -1.96 0.47 116.57 123.78 3i20 h LYS 132 Ca 0.52 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3i20 h LYS 132 Cb 1.01 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3i20 h LYS 132 CO -0.80 0.19 0.00 -0.07 -2.27 0.00 0.00 179.45 176.50 3i20 h LEU 133 N 0.30 0.02 -0.65 5.20 3.38 -0.64 -2.34 115.31 120.58 3i20 h LEU 133 Ca 0.70 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3i20 h LEU 133 Cb 1.57 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 3i20 h LEU 133 CO -0.62 0.26 0.41 0.25 0.09 0.00 0.00 178.44 178.83 3i20 h LEU 134 N -0.22 0.76 -0.91 1.67 5.85 -0.52 -1.05 115.31 120.88 3i20 h LEU 134 Ca 0.00 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.85 3i20 h LEU 134 Cb 0.25 -0.19 -0.16 0.00 0.37 0.00 0.00 40.66 40.93 3i20 h LEU 134 CO 0.00 0.57 -0.32 0.00 -0.34 0.00 0.00 178.44 178.35 3i20 h ALA 135 N 1.22 0.31 0.66 1.25 0.00 -0.01 -1.64 119.26 121.05 3i20 h ALA 135 Ca 0.23 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 3i20 h ALA 135 Cb -0.07 0.86 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i20 h ALA 135 CO -0.05 -0.54 -0.32 1.96 0.00 0.00 0.00 179.25 180.31 3i20 h GLN 136 N -0.02 -0.85 -0.55 0.00 1.08 -0.67 -2.16 115.11 111.93 3i20 h GLN 136 Ca 0.37 0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.74 3i20 h GLN 136 Cb 0.62 0.19 -0.10 0.00 -0.05 0.00 0.00 27.48 28.15 3i20 h GLN 136 CO -0.94 -0.57 -0.08 -0.22 -0.95 0.00 0.00 178.83 176.07 3i20 h LYS 137 N -0.89 0.04 0.64 1.46 3.64 -0.67 0.42 116.57 121.22 3i20 h LYS 137 Ca -0.09 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3i20 h LYS 137 Cb 0.68 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3i20 h LYS 137 CO 0.15 0.03 -0.36 -0.07 -2.27 0.00 0.00 179.45 176.92 3i20 h LEU 138 N 0.04 -0.89 -1.57 5.20 3.38 -1.27 0.08 115.31 120.27 3i20 h LEU 138 Ca 0.27 0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.64 3i20 h LEU 138 Cb 0.43 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 3i20 h LEU 138 CO -0.53 -0.58 0.82 0.50 0.09 0.00 0.00 178.44 178.74 3i20 h LYS 139 N -0.93 0.18 -0.11 1.13 3.64 -0.71 0.15 116.57 119.92 3i20 h LYS 139 Ca -0.08 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 3i20 h LYS 139 Cb 0.74 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3i20 h LYS 139 CO 0.10 0.12 -0.30 -0.44 -2.27 0.00 0.00 179.45 176.66 3i20 h ASP 140 N 0.18 0.45 -0.01 4.20 3.45 0.57 -2.84 116.42 122.42 3i20 h ASP 140 Ca 0.67 -0.60 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3i20 h ASP 140 Cb 2.15 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.79 3i20 h ASP 140 CO -0.24 0.96 0.00 0.23 -1.57 0.00 0.00 179.24 178.62 3i20 n MET 141 N -4.42 1.06 -3.07 3.56 2.81 -0.14 -4.92 117.12 112.00 3i20 n MET 141 Ca -0.07 -0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 55.64 3i20 n MET 141 Cb 0.48 -1.37 0.04 0.00 -0.71 0.00 0.00 33.22 31.67 3i20 n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i20 n ALA 142 N -0.77 -2.39 -2.85 3.04 0.00 0.38 -5.06 120.51 112.86 3i20 n ALA 142 Ca 0.17 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 3i20 n ALA 142 Cb 0.10 -3.95 -0.13 0.00 0.00 0.00 0.00 19.45 15.47 3i20 n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i20 s LEU 143 N -4.72 2.13 0.00 0.00 1.43 -0.56 -4.99 118.68 111.96 3i20 s LEU 143 Ca 0.27 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3i20 s LEU 143 Cb -0.04 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.07 3i20 s LEU 143 CO 0.70 -0.10 0.00 -1.84 0.23 0.00 0.00 176.35 175.34 3i20 n GLU 144 N 2.26 3.18 -3.69 1.70 0.28 -1.26 -3.86 120.64 119.25 3i20 n GLU 144 Ca -0.18 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.53 3i20 n GLU 144 Cb 0.57 -0.65 -0.15 0.00 1.43 0.00 0.00 31.44 32.64 3i20 n GLU 144 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3i20 s ASP 145 N -0.95 3.85 0.23 -1.84 -1.08 -1.23 -4.40 116.67 111.26 3i20 s ASP 145 Ca 0.00 -1.73 0.00 0.00 -0.52 0.00 0.00 52.55 50.30 3i20 s ASP 145 Cb 0.00 -0.78 -0.04 0.00 -1.46 0.00 0.00 42.92 40.64 3i20 s ASP 145 CO 0.00 -0.40 0.17 0.68 0.52 0.00 0.00 175.17 176.14 3i20 s VAL 146 N 1.51 0.00 -0.08 1.11 -7.23 -1.11 -1.69 120.40 112.91 3i20 s VAL 146 Ca 0.11 -1.99 0.11 0.00 -1.81 0.00 0.00 61.98 58.40 3i20 s VAL 146 Cb -0.18 -2.50 -0.16 0.00 0.56 0.00 0.00 36.38 34.10 3i20 s VAL 146 CO -0.22 0.00 0.13 -0.11 -0.31 0.00 0.00 175.10 174.58 3i20 n LEU 147 N -0.34 0.00 -3.55 1.32 -0.00 -0.41 -2.25 117.00 111.76 3i20 n LEU 147 Ca 0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.77 3i20 n LEU 147 Cb 0.65 0.18 0.01 0.00 -0.00 0.00 0.00 43.42 44.27 3i20 n LEU 147 CO 0.33 0.18 -0.24 -0.38 -0.00 0.00 0.00 177.39 177.28 3i20 n ILE 148 N -2.25 -3.08 -3.20 1.96 2.08 -1.22 -3.74 119.36 109.90 3i20 n ILE 148 Ca -0.13 0.01 -0.45 0.00 0.56 0.00 0.00 62.75 62.74 3i20 n ILE 148 Cb 0.68 -2.77 -0.05 0.00 -0.75 0.00 0.00 39.64 36.75 3i20 n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3i20 s ILE 149 N -2.38 4.99 0.63 1.39 2.07 -1.26 -2.85 121.20 123.79 3i20 s ILE 149 Ca 0.11 -1.17 -0.11 0.00 -1.41 0.00 0.00 60.65 58.07 3i20 s ILE 149 Cb -0.01 -4.41 0.15 0.00 0.13 0.00 0.00 42.46 38.32 3i20 s ILE 149 CO 0.81 -0.99 0.83 1.07 -1.91 0.00 0.00 174.94 174.75 3i20 n THR 150 N 5.42 0.00 0.00 4.00 5.66 0.15 -3.42 114.28 126.09 3i20 n THR 150 Ca -0.11 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 3i20 n THR 150 Cb 0.42 -1.64 0.00 0.00 -1.55 0.00 0.00 70.33 67.55 3i20 n THR 150 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i20 n GLY 151 N -0.63 0.19 1.33 1.09 0.00 -1.26 -1.69 105.19 104.22 3i20 n GLY 151 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3i20 n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i20 n GLU 152 N -1.55 2.97 -1.73 1.61 4.07 -1.26 -3.42 120.64 121.33 3i20 n GLU 152 Ca 0.00 -2.66 0.00 0.00 -0.06 0.00 0.00 57.16 54.44 3i20 n GLU 152 Cb 0.00 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 3i20 n GLU 152 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 3i20 n LEU 153 N 1.41 -3.69 -4.96 4.31 -0.00 -1.26 -5.02 117.00 107.79 3i20 n LEU 153 Ca 0.24 2.41 -0.23 0.00 -0.00 0.00 0.00 56.01 58.43 3i20 n LEU 153 Cb 0.67 -2.62 0.02 0.00 -0.00 0.00 0.00 43.42 41.49 3i20 n LEU 153 CO 0.17 -0.31 0.17 1.51 -0.00 0.00 0.00 177.39 178.94 3i20 s ASP 154 N -1.88 4.91 -0.19 1.45 3.84 -1.26 -5.06 116.67 118.48 3i20 s ASP 154 Ca 0.00 -1.00 -0.13 0.00 -0.00 0.00 0.00 52.55 51.42 3i20 s ASP 154 Cb 0.00 0.23 -0.20 0.00 -1.38 0.00 0.00 42.92 41.56 3i20 s ASP 154 CO 0.00 -1.14 0.15 1.21 -0.00 0.00 0.00 175.17 175.39 3i20 n GLU 155 N -1.94 0.64 0.05 2.11 4.07 -1.26 -3.95 120.64 120.36 3i20 n GLU 155 Ca 0.06 0.39 -0.11 0.00 -0.06 0.00 0.00 57.16 57.44 3i20 n GLU 155 Cb 0.63 -1.68 -0.07 0.00 -0.06 0.00 0.00 31.44 30.26 3i20 n GLU 155 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3i20 h ASN 156 N -0.54 -1.12 -0.77 4.31 2.35 -1.93 0.72 115.58 118.61 3i20 h ASN 156 Ca -0.44 0.12 0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3i20 h ASN 156 Cb 1.66 0.42 -0.03 0.00 0.05 0.00 0.00 38.32 40.41 3i20 h ASN 156 CO -0.12 -0.37 0.58 0.25 -1.65 0.00 0.00 177.43 176.12 3i20 h LEU 157 N -0.48 0.00 0.00 1.61 5.85 -1.84 0.52 115.31 120.96 3i20 h LEU 157 Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 3i20 h LEU 157 Cb 0.50 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.55 3i20 h LEU 157 CO -0.23 0.00 -1.08 0.15 -0.34 0.00 0.00 178.44 176.95 3i20 h PHE 158 N 0.00 0.98 -0.45 1.25 3.04 -0.92 -3.30 116.94 117.53 3i20 h PHE 158 Ca 0.36 -0.55 -0.12 0.00 3.98 0.00 0.00 57.97 61.64 3i20 h PHE 158 Cb 1.53 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 3i20 h PHE 158 CO 0.00 1.39 -0.19 -0.07 -2.02 0.00 0.00 178.31 177.41 3i20 h LEU 159 N 0.35 0.91-10.37 0.59 4.07 0.44 -3.32 115.31 107.97 3i20 h LEU 159 Ca -0.14 -0.33 -0.43 0.00 0.08 0.00 0.00 57.88 57.07 3i20 h LEU 159 Cb 1.73 -0.25 0.18 0.00 1.08 0.00 0.00 40.66 43.40 3i20 h LEU 159 CO 0.21 1.08 0.15 0.00 -1.08 0.00 0.00 178.44 178.80 3i20 s ALA 160 N -4.68 0.67 0.00 1.53 0.00 0.14 -3.59 121.76 115.84 3i20 s ALA 160 Ca -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3i20 s ALA 160 Cb 0.13 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3i20 s ALA 160 CO 0.85 -3.36 0.00 0.00 0.00 0.00 0.00 175.76 173.25 3i20 n ALA 161 N -4.58 0.00 0.26 0.00 0.00 -1.26 -4.64 120.51 110.29 3i20 n ALA 161 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.63 3i20 n ALA 161 Cb 0.59 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.71 3i20 n ALA 161 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i20 h ARG 162 N 0.19 0.00 0.00 0.00 2.43 -1.66 -1.50 114.38 113.84 3i20 h ARG 162 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 3i20 h ARG 162 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3i20 h ARG 162 CO 0.00 0.07 -1.86 -1.71 -1.51 0.00 0.00 179.97 174.96 3i20 n ASN 163 N -4.22 0.66 -4.58 -3.80 4.05 -1.26 -4.82 115.26 101.28 3i20 n ASN 163 Ca -0.03 0.31 -0.40 0.00 0.45 0.00 0.00 54.58 54.92 3i20 n ASN 163 Cb 0.15 0.21 -0.03 0.00 1.23 0.00 0.00 39.78 41.34 3i20 n ASN 163 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3i20 s LEU 164 N -5.92 3.42 0.12 1.20 1.02 -0.57 -4.83 118.68 113.12 3i20 s LEU 164 Ca -0.06 1.51 -0.09 0.00 0.02 0.00 0.00 54.13 55.51 3i20 s LEU 164 Cb 0.08 -3.08 -0.11 0.00 0.02 0.00 0.00 46.19 43.09 3i20 s LEU 164 CO 0.83 -2.35 1.31 -0.74 0.02 0.00 0.00 176.35 175.42 3i20 h HIS 165 N 16.88 0.90 -0.12 0.29 -0.00 -1.88 -3.15 115.15 128.09 3i20 h HIS 165 Ca -0.34 -0.43 -0.02 0.00 -0.00 0.00 0.00 60.37 59.58 3i20 h HIS 165 Cb 1.25 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.51 3i20 h HIS 165 CO 0.95 1.24 0.03 1.63 -0.00 0.00 0.00 177.93 181.78 3i20 n LYS 166 N -3.88 1.55 -3.67 5.26 4.76 -1.26 -4.83 118.16 116.10 3i20 n LYS 166 Ca -0.07 -0.53 -0.14 0.00 -2.87 0.00 0.00 58.31 54.70 3i20 n LYS 166 Cb 0.77 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 3i20 n LYS 166 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i20 s VAL 167 N -1.11 0.05 0.03 -0.18 0.11 -1.19 -2.76 120.40 115.34 3i20 s VAL 167 Ca 0.09 -0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 58.73 3i20 s VAL 167 Cb 0.07 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 3i20 s VAL 167 CO 0.02 -0.21 0.04 -0.62 -3.33 0.00 0.00 175.10 171.00 3i20 s ASP 168 N -1.65 0.21 0.15 3.54 2.15 -0.95 -4.85 116.67 115.26 3i20 s ASP 168 Ca -0.09 -0.52 0.10 0.00 0.43 0.00 0.00 52.55 52.47 3i20 s ASP 168 Cb -0.02 0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.73 3i20 s ASP 168 CO 0.02 -0.41 -0.23 0.68 -0.17 0.00 0.00 175.17 175.05 3i20 s VAL 169 N -2.10 2.08 0.14 1.11 -7.23 -1.25 -3.41 120.40 109.75 3i20 s VAL 169 Ca -0.10 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.12 3i20 s VAL 169 Cb -0.05 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 35.02 3i20 s VAL 169 CO -0.03 -0.06 0.40 -0.13 -0.31 0.00 0.00 175.10 174.97 3i20 s ARG 170 N -2.30 1.14 0.49 4.82 3.00 -1.13 -5.00 118.95 119.97 3i20 s ARG 170 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 55.73 55.02 3i20 s ARG 170 Cb -0.09 0.46 -0.01 0.00 0.00 0.00 0.00 34.95 35.31 3i20 s ARG 170 CO 0.07 -0.45 0.77 0.16 0.00 0.00 0.00 175.30 175.85 3i20 s ASP 171 N -2.84 5.96 0.22 0.23 1.47 -1.26 0.32 116.67 120.77 3i20 s ASP 171 Ca 0.06 0.67 -0.08 0.00 1.18 0.00 0.00 52.55 54.38 3i20 s ASP 171 Cb 0.02 -1.90 0.22 0.00 -0.34 0.00 0.00 42.92 40.92 3i20 s ASP 171 CO -0.08 -0.73 1.87 0.00 0.68 0.00 0.00 175.17 176.91 3i20 h ALA 172 N 0.19 1.04 0.00 2.11 0.00 -1.34 -1.20 119.26 120.06 3i20 h ALA 172 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i20 h ALA 172 Cb 1.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i20 h ALA 172 CO 0.60 0.34 0.00 0.25 0.00 0.00 0.00 179.25 180.44 3i20 n THR 173 N -4.58 0.89 0.00 0.00 -2.24 -1.26 -3.88 114.28 103.21 3i20 n THR 173 Ca 0.09 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 3i20 n THR 173 Cb 0.08 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 3i20 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i20 n GLY 174 N 0.15 -0.31 0.43 3.38 0.00 -0.45 -4.97 105.19 103.41 3i20 n GLY 174 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i20 n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i20 n ILE 175 N -1.46 0.00 -4.37 -0.61 3.06 -1.22 -4.98 119.36 109.77 3i20 n ILE 175 Ca 0.00 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 60.00 3i20 n ILE 175 Cb 0.00 -0.31 -0.12 0.00 0.54 0.00 0.00 39.64 39.75 3i20 n ILE 175 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3i20 s ASP 176 N 0.00 3.09 0.19 9.51 1.47 -1.26 -5.06 116.67 124.61 3i20 s ASP 176 Ca 0.00 -0.82 -0.12 0.00 1.18 0.00 0.00 52.55 52.79 3i20 s ASP 176 Cb 0.00 -0.21 0.17 0.00 -0.34 0.00 0.00 42.92 42.55 3i20 s ASP 176 CO 0.00 0.08 1.79 -0.65 0.68 0.00 0.00 175.17 177.07 3i20 h PRO 177 N 3.44 0.53 0.53 2.11 0.11 -1.99 -2.83 132.00 133.91 3i20 h PRO 177 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3i20 h PRO 177 Cb 1.20 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3i20 h PRO 177 CO 0.46 0.35 -0.25 -0.24 -0.21 0.00 0.00 178.00 178.11 3i20 h VAL 178 N 0.55 0.00 -1.21 3.15 3.04 -1.97 -3.18 116.25 116.63 3i20 h VAL 178 Ca 0.25 -0.37 0.35 0.00 -1.01 0.00 0.00 66.70 65.92 3i20 h VAL 178 Cb 0.16 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.38 3i20 h VAL 178 CO -0.17 0.00 0.86 0.77 -1.01 0.00 0.00 177.57 178.02 3i20 h SER 179 N -1.08 0.07 0.41 3.17 4.64 -1.98 1.59 113.55 120.37 3i20 h SER 179 Ca -0.07 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3i20 h SER 179 Cb 0.55 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3i20 h SER 179 CO 0.12 0.01 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.77 3i20 h LEU 180 N 0.06 0.00 0.00 5.97 3.38 -1.48 -3.00 115.31 120.24 3i20 h LEU 180 Ca 0.60 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.37 3i20 h LEU 180 Cb 2.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.96 3i20 h LEU 180 CO -0.06 0.24 -1.90 -0.38 0.09 0.00 0.00 178.44 176.43 3i20 n ILE 181 N -3.87 0.98 0.09 1.22 5.41 0.52 -4.48 119.36 119.22 3i20 n ILE 181 Ca -0.02 -0.71 -0.01 0.00 1.00 0.00 0.00 62.75 63.02 3i20 n ILE 181 Cb 0.33 -0.47 0.28 0.00 -0.71 0.00 0.00 39.64 39.07 3i20 n ILE 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i20 h ALA 182 N 1.41 1.25 -2.61 -1.39 0.00 -0.84 -3.44 119.26 113.64 3i20 h ALA 182 Ca -0.26 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 3i20 h ALA 182 Cb 1.68 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3i20 h ALA 182 CO 0.03 0.50 -0.19 -0.06 0.00 0.00 0.00 179.25 179.54 3i20 s PHE 183 N -4.42 3.50 0.17 0.00 0.40 -1.24 -4.99 117.98 111.40 3i20 s PHE 183 Ca -0.05 0.81 -0.14 0.00 -0.60 0.00 0.00 56.93 56.94 3i20 s PHE 183 Cb 0.14 -2.19 0.11 0.00 0.51 0.00 0.00 43.02 41.59 3i20 s PHE 183 CO 0.76 0.39 1.77 -0.44 0.70 0.00 0.00 175.22 178.40 3i20 h ASP 184 N 3.04 0.25 -4.11 1.36 3.32 -1.85 -3.43 116.42 114.99 3i20 h ASP 184 Ca -0.47 0.04 -0.31 0.00 0.02 0.00 0.00 57.03 56.31 3i20 h ASP 184 Cb 1.18 -0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 3i20 h ASP 184 CO 0.69 0.18 -0.70 -0.54 -1.72 0.00 0.00 179.24 177.14 3i20 s LYS 185 N -6.14 1.04 -0.06 3.56 -0.14 -0.68 -4.82 119.74 112.50 3i20 s LYS 185 Ca -0.13 -1.45 0.01 0.00 -1.36 0.00 0.00 55.97 53.04 3i20 s LYS 185 Cb 0.13 -0.52 0.02 0.00 -1.68 0.00 0.00 37.83 35.78 3i20 s LYS 185 CO 0.72 0.03 -0.07 0.54 -0.76 0.00 0.00 175.35 175.82 3i20 s VAL 186 N -3.41 0.75 0.00 3.17 0.11 -0.00 -1.29 120.40 119.73 3i20 s VAL 186 Ca 0.17 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3i20 s VAL 186 Cb 0.03 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 3i20 s VAL 186 CO 0.00 0.28 0.11 0.52 -3.33 0.00 0.00 175.10 172.68 3i20 n VAL 187 N 4.08 0.00 -1.08 2.04 0.31 -1.26 -2.32 118.33 120.09 3i20 n VAL 187 Ca -0.23 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3i20 n VAL 187 Cb 0.51 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3i20 n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i20 n MET 188 N -0.53 -1.37 -3.62 5.55 0.00 -1.25 -3.70 117.12 112.20 3i20 n MET 188 Ca 0.00 1.35 -0.29 0.00 0.00 0.00 0.00 57.70 58.76 3i20 n MET 188 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 33.22 31.90 3i20 n MET 188 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3i20 s THR 189 N -0.14 5.16 0.25 1.12 -1.32 -1.22 -2.29 115.64 117.21 3i20 s THR 189 Ca 0.00 -0.16 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 3i20 s THR 189 Cb 0.00 -3.70 0.24 0.00 -1.51 0.00 0.00 72.50 67.53 3i20 s THR 189 CO 0.00 -0.13 1.85 0.00 -2.21 0.00 0.00 174.62 174.13 3i20 h ALA 190 N 2.22 1.29 -0.90 11.08 0.00 -1.53 0.95 119.26 132.37 3i20 h ALA 190 Ca -0.47 0.00 0.34 0.00 0.00 0.00 0.00 54.91 54.78 3i20 h ALA 190 Cb 1.18 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 3i20 h ALA 190 CO 0.69 0.26 0.55 -3.47 0.00 0.00 0.00 179.25 177.28 3i20 n ASP 191 N -4.62 0.20 -0.04 0.00 4.64 -1.26 -2.06 116.55 113.41 3i20 n ASP 191 Ca 0.15 1.12 -0.04 0.00 -1.38 0.00 0.00 54.79 54.63 3i20 n ASP 191 Cb 0.23 -0.55 -0.07 0.00 -1.04 0.00 0.00 41.12 39.70 3i20 n ASP 191 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i20 n ALA 192 N -2.51 1.81 -0.15 -1.67 0.00 0.26 -4.11 120.51 114.15 3i20 n ALA 192 Ca 0.29 -0.56 0.07 0.00 0.00 0.00 0.00 53.44 53.24 3i20 n ALA 192 Cb 1.08 0.05 0.38 0.00 0.00 0.00 0.00 19.45 20.96 3i20 n ALA 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i20 h VAL 193 N 0.00 1.01 -0.04 0.00 2.07 0.93 0.51 116.25 120.73 3i20 h VAL 193 Ca -0.22 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 3i20 h VAL 193 Cb 1.49 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3i20 h VAL 193 CO 0.01 0.12 -0.58 0.50 0.02 0.00 0.00 177.57 177.64 3i20 h LYS 194 N 0.68 0.12 0.25 1.57 3.64 -1.62 0.12 116.57 121.34 3i20 h LYS 194 Ca 0.29 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3i20 h LYS 194 Cb 0.26 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3i20 h LYS 194 CO -0.09 0.67 -0.12 1.96 -2.27 0.00 0.00 179.45 179.59 3i20 h GLN 195 N 0.09 -0.33 -0.85 1.90 4.20 -1.16 -2.55 115.11 116.41 3i20 h GLN 195 Ca -0.00 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.78 3i20 h GLN 195 Cb 1.06 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.86 3i20 h GLN 195 CO 0.08 0.03 0.56 0.28 -0.67 0.00 0.00 178.83 179.11 3i20 h VAL 196 N -0.85 1.08 -0.25 -0.54 2.07 -1.06 -0.64 116.25 116.06 3i20 h VAL 196 Ca -0.03 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3i20 h VAL 196 Cb 0.51 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3i20 h VAL 196 CO 0.06 0.18 -0.29 -0.08 0.02 0.00 0.00 177.57 177.46 3i20 h GLU 197 N 0.98 -0.17 0.00 1.57 4.57 -0.67 -0.16 114.58 120.70 3i20 h GLU 197 Ca 0.36 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 3i20 h GLU 197 Cb 0.17 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3i20 h GLU 197 CO -0.12 -0.11 -0.15 1.49 -1.18 0.00 0.00 179.01 178.93 3i20 h GLU 198 N -0.17 0.00 0.05 1.92 4.81 -1.16 0.66 114.58 120.69 3i20 h GLU 198 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3i20 h GLU 198 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3i20 h GLU 198 CO -0.33 0.15 -0.03 1.98 -0.73 0.00 0.00 179.01 180.06 3i20 h MET 199 N 0.00 -0.07 -0.03 1.92 4.05 0.53 -2.97 114.93 118.35 3i20 h MET 199 Ca -0.00 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.20 3i20 h MET 199 Cb 0.32 0.02 0.02 0.00 -0.80 0.00 0.00 31.60 31.15 3i20 h MET 199 CO 0.02 0.27 -0.86 -0.07 0.23 0.00 0.00 176.91 176.50 3i20 h LEU 200 N -0.42 0.80 0.00 3.39 -0.00 -1.26 -3.51 115.31 114.32 3i20 h LEU 200 Ca -0.01 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.15 3i20 h LEU 200 Cb 0.37 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 3i20 h LEU 200 CO 0.01 1.42 0.00 0.00 -0.00 0.00 0.00 178.44 179.87