#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d n ARG 3 N 0.00 0.18 -3.59 0.54 3.00 -1.26 -5.11 116.66 110.42 3i9d n ARG 3 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 3i9d n ARG 3 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 3i9d n ARG 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3i9d s SER 4 N -1.60 -0.28 -0.40 6.15 0.15 -1.26 -5.13 113.70 111.33 3i9d s SER 4 Ca 0.00 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 3i9d s SER 4 Cb 0.00 0.24 0.10 0.00 -1.71 0.00 0.00 66.02 64.65 3i9d s SER 4 CO 0.00 -0.29 0.20 -0.76 1.20 0.00 0.00 173.24 173.59 3i9d s LEU 5 N -1.32 5.14 0.00 3.45 2.01 -1.26 -3.94 118.68 122.76 3i9d s LEU 5 Ca 0.02 -1.90 0.00 0.00 0.01 0.00 0.00 54.13 52.26 3i9d s LEU 5 Cb -0.01 -1.84 0.00 0.00 0.01 0.00 0.00 46.19 44.35 3i9d s LEU 5 CO -0.02 -0.53 0.00 0.29 1.01 0.00 0.00 176.35 177.11 3i9d n LYS 6 N 4.65 0.00 0.00 1.70 5.02 -1.26 -5.07 118.16 123.20 3i9d n LYS 6 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3i9d n LYS 6 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 3i9d n LYS 6 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i9d n LYS 7 N -1.15 0.00 0.00 1.97 2.85 -1.26 -5.16 118.16 115.41 3i9d n LYS 7 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i9d n LYS 7 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i9d n LYS 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i9d n GLY 8 N 1.44 -1.79 2.67 2.58 0.00 -1.25 -4.89 105.19 103.95 3i9d n GLY 8 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 3i9d n GLY 8 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9d n VAL 9 N 0.00 -3.09 -0.43 1.61 0.24 -1.26 -4.89 118.33 110.51 3i9d n VAL 9 Ca 0.00 -0.19 0.06 0.00 -2.04 0.00 0.00 64.34 62.16 3i9d n VAL 9 Cb 0.00 -3.71 -0.02 0.00 -1.47 0.00 0.00 33.84 28.65 3i9d n VAL 9 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3i9d n PHE 10 N -3.44 -1.08 -3.33 6.34 7.35 -1.26 -4.96 117.46 117.07 3i9d n PHE 10 Ca -0.11 0.55 0.02 0.00 -0.76 0.00 0.00 57.45 57.15 3i9d n PHE 10 Cb 0.58 -0.98 -0.04 0.00 0.35 0.00 0.00 39.48 39.39 3i9d n PHE 10 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3i9d s VAL 11 N -1.59 -0.40 0.00 -2.13 0.11 -1.26 -5.02 120.40 110.11 3i9d s VAL 11 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i9d s VAL 11 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i9d s VAL 11 CO 0.00 0.00 0.00 0.47 -3.33 0.00 0.00 175.10 172.24 3i9d n ASP 12 N 4.92 0.00 -0.43 3.54 9.92 -1.26 -4.62 116.55 128.62 3i9d n ASP 12 Ca -0.08 0.00 0.37 0.00 -0.53 0.00 0.00 54.79 54.54 3i9d n ASP 12 Cb 0.53 0.00 0.56 0.00 -0.64 0.00 0.00 41.12 41.57 3i9d n ASP 12 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3i9d n ASP 13 N 0.00 0.00 0.00 -2.24 5.75 -1.26 -3.92 116.55 114.88 3i9d n ASP 13 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 54.79 55.54 3i9d n ASP 13 Cb 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3i9d n ASP 13 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i9d n HIS 14 N -3.34 0.00 -0.22 2.11 8.25 -1.26 0.61 115.22 121.37 3i9d n HIS 14 Ca 0.30 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.79 3i9d n HIS 14 Cb 1.55 0.00 0.12 0.00 1.12 0.00 0.00 29.99 32.77 3i9d n HIS 14 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 3i9d h LEU 15 N 0.00 -0.33 -0.87 2.41 -0.00 -1.96 0.31 115.31 114.88 3i9d h LEU 15 Ca 0.00 0.17 0.08 0.00 -0.00 0.00 0.00 57.88 58.13 3i9d h LEU 15 Cb 0.00 0.31 -0.10 0.00 -0.00 0.00 0.00 40.66 40.86 3i9d h LEU 15 CO 0.00 -0.14 -0.51 -0.11 -0.00 0.00 0.00 178.44 177.67 3i9d n LEU 16 N -5.32 -0.92 0.38 0.17 7.94 -0.99 0.45 117.00 118.71 3i9d n LEU 16 Ca 0.10 1.64 -0.18 0.00 -1.11 0.00 0.00 56.01 56.46 3i9d n LEU 16 Cb 0.39 -0.24 -0.09 0.00 0.53 0.00 0.00 43.42 44.01 3i9d n LEU 16 CO 0.08 -1.31 0.62 -0.08 -1.11 0.00 0.00 177.39 175.60 3i9d h GLU 17 N 0.00 -0.91 -0.35 1.96 4.22 0.11 -0.10 114.58 119.51 3i9d h GLU 17 Ca 0.14 0.06 0.10 0.00 0.08 0.00 0.00 59.36 59.74 3i9d h GLU 17 Cb 0.36 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3i9d h GLU 17 CO -0.82 -0.60 0.26 -0.22 -2.18 0.00 0.00 179.01 175.45 3i9d h LYS 18 N -0.97 0.00 0.00 1.92 1.63 0.11 -0.99 116.57 118.26 3i9d h LYS 18 Ca -0.10 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.51 3i9d h LYS 18 Cb 0.73 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 3i9d h LYS 18 CO 0.16 0.00 -1.01 0.28 -3.45 0.00 0.00 179.45 175.43 3i9d h VAL 19 N 0.00 1.29 -0.65 2.00 2.07 0.99 -3.28 116.25 118.67 3i9d h VAL 19 Ca 0.17 -2.92 -0.05 0.00 0.82 0.00 0.00 66.70 64.72 3i9d h VAL 19 Cb 0.69 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.05 3i9d h VAL 19 CO -0.00 0.74 0.22 -0.07 0.02 0.00 0.00 177.57 178.48 3i9d h LEU 20 N 0.00 0.94 -0.48 2.57 3.38 0.39 -2.45 115.31 119.65 3i9d h LEU 20 Ca -0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3i9d h LEU 20 Cb 1.69 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3i9d h LEU 20 CO 0.10 0.88 0.08 1.05 0.09 0.00 0.00 178.44 180.64 3i9d h GLU 21 N 0.94 0.79 -0.16 1.13 4.11 -1.62 -0.75 114.58 119.03 3i9d h GLU 21 Ca 0.21 -0.21 0.04 0.00 0.07 0.00 0.00 59.36 59.47 3i9d h GLU 21 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i9d h GLU 21 CO -0.01 0.80 0.11 -0.07 0.07 0.00 0.00 179.01 179.91 3i9d h LEU 22 N 0.67 0.03 0.17 3.06 4.07 -1.57 -2.11 115.31 119.62 3i9d h LEU 22 Ca 0.15 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 3i9d h LEU 22 Cb 0.39 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3i9d h LEU 22 CO 0.01 0.02 -0.08 0.78 -1.08 0.00 0.00 178.44 178.09 3i9d h ASN 23 N 0.03 -0.19 0.00 -0.43 -0.26 -1.03 -3.25 115.58 110.45 3i9d h ASN 23 Ca 0.07 0.01 -0.58 0.00 -0.56 0.00 0.00 56.30 55.24 3i9d h ASN 23 Cb 0.25 0.05 0.02 0.00 -1.06 0.00 0.00 38.32 37.58 3i9d h ASN 23 CO -0.00 0.16 3.02 0.00 -1.06 0.00 0.00 177.43 179.54 3i9d n ALA 24 N -2.57 5.43 0.00 -0.83 0.00 -0.32 -3.05 120.51 119.16 3i9d n ALA 24 Ca -0.03 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3i9d n ALA 24 Cb 0.09 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.20 3i9d n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i9d n LYS 25 N 4.95 0.00 0.00 0.00 3.00 -0.84 -4.75 118.16 120.52 3i9d n LYS 25 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 3i9d n LYS 25 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.29 3i9d n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9d n GLY 26 N 0.00 0.00 5.98 3.14 0.00 -1.17 -4.40 105.19 108.75 3i9d n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9d n GLU 27 N 0.00 0.00 -0.79 1.61 1.02 -1.26 -4.79 120.64 116.43 3i9d n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i9d n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i9d n GLU 27 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i9d n LYS 28 N 0.00 0.00 0.00 3.49 2.85 -1.26 -5.16 118.16 118.08 3i9d n LYS 28 Ca 0.00 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 3i9d n LYS 28 Cb 0.00 -0.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.87 3i9d n LYS 28 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3i9d n ARG 29 N 0.59 0.00 -2.67 -1.58 1.85 -1.26 -5.11 116.66 108.48 3i9d n ARG 29 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 3i9d n ARG 29 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 3i9d n ARG 29 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 3i9d n LEU 30 N 0.00 0.00 0.00 2.89 -0.00 -1.26 -4.72 117.00 113.90 3i9d n LEU 30 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 56.01 55.17 3i9d n LEU 30 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 3i9d n LEU 30 CO 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 177.39 177.26 3i9d n ILE 31 N -0.28 0.00 -0.78 1.47 3.06 -1.23 -4.99 119.36 116.60 3i9d n ILE 31 Ca -0.03 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.14 3i9d n ILE 31 Cb 0.17 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.41 3i9d n ILE 31 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3i9d n LYS 32 N 0.00 -1.29 0.00 9.51 5.02 -1.26 -0.39 118.16 129.75 3i9d n LYS 32 Ca 0.00 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 3i9d n LYS 32 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 3i9d n LYS 32 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3i9d n THR 33 N -2.97 0.00 -2.35 -0.18 5.66 -1.11 -4.55 114.28 108.78 3i9d n THR 33 Ca 0.04 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.07 3i9d n THR 33 Cb 0.15 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.95 3i9d n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3i9d n TRP 34 N -0.46 0.00 -3.55 1.09 8.01 -1.26 -3.84 117.44 117.42 3i9d n TRP 34 Ca 0.00 -0.35 -0.31 0.00 -1.31 0.00 0.00 57.50 55.53 3i9d n TRP 34 Cb 0.00 -0.11 -0.08 0.00 -2.01 0.00 0.00 31.31 29.11 3i9d n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3i9d n SER 35 N 0.35 4.00 0.04 -0.99 2.88 -1.26 -4.75 113.62 113.89 3i9d n SER 35 Ca 0.04 -3.31 0.13 0.00 -1.33 0.00 0.00 58.87 54.40 3i9d n SER 35 Cb 1.01 -0.86 0.51 0.00 -0.75 0.00 0.00 64.21 64.13 3i9d n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3i9d n ARG 36 N 1.54 0.10 0.00 -1.46 1.85 -1.26 -3.00 116.66 114.43 3i9d n ARG 36 Ca 0.25 0.12 0.09 0.00 -1.00 0.00 0.00 57.85 57.31 3i9d n ARG 36 Cb 0.37 -1.63 0.56 0.00 -1.05 0.00 0.00 32.46 30.72 3i9d n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3i9d n ARG 37 N -1.80 0.66 -2.83 2.89 1.85 -1.26 -3.05 116.66 113.12 3i9d n ARG 37 Ca 0.06 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.70 3i9d n ARG 37 Cb 0.35 -1.44 0.07 0.00 -1.05 0.00 0.00 32.46 30.39 3i9d n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3i9d s SER 38 N -1.92 4.87 0.00 2.89 1.04 -1.16 -4.65 113.70 114.76 3i9d s SER 38 Ca 0.28 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3i9d s SER 38 Cb 0.13 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3i9d s SER 38 CO 0.22 -1.48 0.00 0.41 0.98 0.00 0.00 173.24 173.37 3i9d n THR 39 N -2.45 0.00 -3.62 2.02 -1.04 -1.26 -3.01 114.28 104.93 3i9d n THR 39 Ca 0.14 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.14 3i9d n THR 39 Cb 0.61 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.11 3i9d n THR 39 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3i9d s ILE 40 N 4.25 0.00 0.00 12.58 2.07 -1.26 -4.20 121.20 134.65 3i9d s ILE 40 Ca 0.00 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 3i9d s ILE 40 Cb 0.00 -1.57 0.00 0.00 0.13 0.00 0.00 42.46 41.02 3i9d s ILE 40 CO 0.00 0.00 0.00 1.33 -1.91 0.00 0.00 174.94 174.36 3i9d n VAL 41 N -0.33 0.00 0.55 4.00 0.24 -1.26 -4.73 118.33 116.80 3i9d n VAL 41 Ca -0.05 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.28 3i9d n VAL 41 Cb 0.61 0.00 0.15 0.00 -1.47 0.00 0.00 33.84 33.13 3i9d n VAL 41 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3i9d n PRO 42 N 0.00 0.27 -2.87 7.34 -0.02 -1.26 -4.89 135.00 133.57 3i9d n PRO 42 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 3i9d n PRO 42 Cb 0.00 -1.30 -0.01 0.00 -0.02 0.00 0.00 33.50 32.17 3i9d n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i9d n GLU 43 N -0.80 4.24 0.00 -0.52 0.00 -1.26 -4.03 120.64 118.27 3i9d n GLU 43 Ca 0.04 -4.74 0.00 0.00 0.00 0.00 0.00 57.16 52.46 3i9d n GLU 43 Cb 0.02 -2.37 0.00 0.00 0.00 0.00 0.00 31.44 29.09 3i9d n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3i9d n MET 44 N 0.10 0.00 -0.25 3.44 2.81 -1.26 -4.85 117.12 117.11 3i9d n MET 44 Ca 0.37 0.00 0.21 0.00 -1.81 0.00 0.00 57.70 56.47 3i9d n MET 44 Cb 0.33 0.00 0.34 0.00 -0.71 0.00 0.00 33.22 33.18 3i9d n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3i9d n VAL 45 N 0.00 -0.11 0.37 2.03 0.24 -1.26 -0.41 118.33 119.20 3i9d n VAL 45 Ca 0.00 0.86 0.04 0.00 -2.04 0.00 0.00 64.34 63.20 3i9d n VAL 45 Cb 0.00 -1.41 -0.04 0.00 -1.47 0.00 0.00 33.84 30.91 3i9d n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9d n GLY 46 N -1.28 0.24 3.88 7.63 0.00 -1.26 -2.61 105.19 111.79 3i9d n GLY 46 Ca 0.20 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3i9d n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9d s HIS 47 N -1.71 3.53 -0.22 1.61 4.02 0.45 -4.73 115.29 118.24 3i9d s HIS 47 Ca 0.03 1.01 -0.04 0.00 1.02 0.00 0.00 55.06 57.09 3i9d s HIS 47 Cb 0.06 -2.45 -0.01 0.00 -1.02 0.00 0.00 32.58 29.17 3i9d s HIS 47 CO 0.31 -0.27 -0.05 0.95 1.02 0.00 0.00 174.74 176.71 3i9d s THR 48 N -2.64 3.30 0.07 1.30 -4.23 -1.26 -2.92 115.64 109.27 3i9d s THR 48 Ca 0.51 -0.54 0.06 0.00 -1.18 0.00 0.00 61.69 60.53 3i9d s THR 48 Cb -0.10 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3i9d s THR 48 CO 0.40 0.41 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.18 3i9d s ILE 49 N 1.46 3.53 -0.50 2.99 1.01 -1.04 -3.55 121.20 125.11 3i9d s ILE 49 Ca 0.05 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 3i9d s ILE 49 Cb -0.14 -2.62 0.11 0.00 0.01 0.00 0.00 42.46 39.82 3i9d s ILE 49 CO -0.04 0.19 0.41 0.00 0.00 0.00 0.00 174.94 175.50 3i9d s ALA 50 N -1.17 3.51 0.63 9.38 0.00 0.47 -1.15 121.76 133.44 3i9d s ALA 50 Ca 0.21 -2.45 -0.14 0.00 0.00 0.00 0.00 51.96 49.57 3i9d s ALA 50 Cb -0.11 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3i9d s ALA 50 CO 0.13 -1.91 1.07 0.08 0.00 0.00 0.00 175.76 175.13 3i9d s VAL 51 N 1.50 3.71 -0.24 0.00 1.01 -0.92 -2.77 120.40 122.69 3i9d s VAL 51 Ca 0.04 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3i9d s VAL 51 Cb -0.27 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.84 3i9d s VAL 51 CO 0.02 -0.54 -0.10 -0.47 0.00 0.00 0.00 175.10 174.01 3i9d s TYR 52 N -2.56 3.09 -1.50 5.22 5.04 -1.25 -0.67 117.35 124.72 3i9d s TYR 52 Ca 0.63 -1.85 0.28 0.00 -2.44 0.00 0.00 57.07 53.69 3i9d s TYR 52 Cb -0.17 -1.99 1.17 0.00 0.35 0.00 0.00 41.96 41.32 3i9d s TYR 52 CO 0.42 -0.80 1.83 0.27 -1.34 0.00 0.00 175.55 175.93 3i9d n ASN 53 N 4.58 0.40 0.00 4.32 0.23 -1.20 -4.86 115.26 118.73 3i9d n ASN 53 Ca -0.16 -0.40 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 3i9d n ASN 53 Cb 0.46 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 3i9d n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i9d n GLY 54 N 1.33 2.28 0.21 4.83 0.00 -1.26 -4.86 105.19 107.72 3i9d n GLY 54 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 3i9d n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9d n LYS 55 N -0.37 0.30 -3.65 1.61 4.81 -1.26 -5.11 118.16 114.49 3i9d n LYS 55 Ca 0.00 0.09 -0.01 0.00 -0.87 0.00 0.00 58.31 57.51 3i9d n LYS 55 Cb 0.00 -1.17 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 3i9d n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3i9d s GLN 56 N -2.24 0.65 -0.62 1.64 -2.07 -1.26 -5.13 119.66 110.63 3i9d s GLN 56 Ca -0.17 -0.34 -0.26 0.00 -1.82 0.00 0.00 55.36 52.77 3i9d s GLN 56 Cb 0.05 0.23 0.04 0.00 -1.09 0.00 0.00 33.01 32.25 3i9d s GLN 56 CO 0.27 -0.30 1.09 -1.01 -1.32 0.00 0.00 175.29 174.02 3i9d s HIS 57 N -2.73 2.61 -0.04 9.60 3.76 -1.24 -3.22 115.29 124.03 3i9d s HIS 57 Ca 0.12 -0.00 -0.27 0.00 -0.15 0.00 0.00 55.06 54.76 3i9d s HIS 57 Cb 0.02 -4.35 -0.03 0.00 1.11 0.00 0.00 32.58 29.32 3i9d s HIS 57 CO -0.02 -1.63 0.86 0.14 -0.85 0.00 0.00 174.74 173.23 3i9d s VAL 58 N 4.64 4.94 -0.32 -0.90 -7.23 0.15 -4.74 120.40 116.94 3i9d s VAL 58 Ca 0.33 1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 62.00 3i9d s VAL 58 Cb -0.11 -4.19 -0.02 0.00 0.56 0.00 0.00 36.38 32.62 3i9d s VAL 58 CO 0.18 0.18 1.81 -2.16 -0.31 0.00 0.00 175.10 174.81 3i9d s PRO 59 N 1.04 3.34 0.02 4.82 0.04 -1.26 -2.17 135.00 140.84 3i9d s PRO 59 Ca 0.45 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.97 3i9d s PRO 59 Cb -0.19 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 3i9d s PRO 59 CO 0.22 -1.85 0.04 0.08 0.04 0.00 0.00 177.00 175.54 3i9d s VAL 60 N 6.89 4.40 -0.09 -0.36 1.01 -0.30 -5.00 120.40 126.93 3i9d s VAL 60 Ca 0.81 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3i9d s VAL 60 Cb -0.23 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3i9d s VAL 60 CO 0.34 0.29 -0.20 -0.47 0.00 0.00 0.00 175.10 175.06 3i9d s TYR 61 N -1.20 2.62 0.25 5.22 5.04 -1.26 -2.48 117.35 125.52 3i9d s TYR 61 Ca 0.23 -0.76 0.05 0.00 -2.44 0.00 0.00 57.07 54.16 3i9d s TYR 61 Cb -0.12 -1.71 -0.03 0.00 0.35 0.00 0.00 41.96 40.45 3i9d s TYR 61 CO 0.15 -0.25 0.33 0.42 -1.34 0.00 0.00 175.55 174.86 3i9d s ILE 62 N 0.11 5.04 -0.24 3.14 -1.09 -1.15 -5.04 121.20 121.97 3i9d s ILE 62 Ca -0.10 -1.08 -0.27 0.00 -2.23 0.00 0.00 60.65 56.97 3i9d s ILE 62 Cb -0.16 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.12 3i9d s ILE 62 CO 0.06 -0.33 1.10 0.28 -1.23 0.00 0.00 174.94 174.82 3i9d s THR 63 N -2.02 0.00 0.21 2.92 -1.32 -1.07 -4.18 115.64 110.17 3i9d s THR 63 Ca 0.34 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.94 3i9d s THR 63 Cb -0.09 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.11 3i9d s THR 63 CO 0.28 0.00 0.88 -1.84 -2.21 0.00 0.00 174.62 171.73 3i9d n GLU 64 N 1.49 -0.03 0.31 7.08 0.28 -1.26 -0.19 120.64 128.31 3i9d n GLU 64 Ca -0.10 0.76 0.18 0.00 -0.16 0.00 0.00 57.16 57.84 3i9d n GLU 64 Cb 0.57 -1.38 1.03 0.00 1.43 0.00 0.00 31.44 33.09 3i9d n GLU 64 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 3i9d h ASN 65 N 0.00 0.00 -2.28 -1.84 -0.00 -1.99 -2.86 115.58 106.61 3i9d h ASN 65 Ca 0.47 0.00 -0.62 0.00 -0.00 0.00 0.00 56.30 56.16 3i9d h ASN 65 Cb 1.29 0.00 -0.40 0.00 -0.00 0.00 0.00 38.32 39.20 3i9d h ASN 65 CO -0.41 0.00 -0.44 1.15 -0.00 0.00 0.00 177.43 177.73 3i9d n MET 66 N -3.57 3.36 0.07 4.14 0.00 0.73 -4.87 117.12 116.99 3i9d n MET 66 Ca -0.03 -4.81 -0.15 0.00 0.00 0.00 0.00 57.70 52.71 3i9d n MET 66 Cb 0.08 -2.27 -0.14 0.00 0.00 0.00 0.00 33.22 30.89 3i9d n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3i9d h VAL 67 N 2.95 1.30 0.00 3.17 2.07 -1.67 -3.41 116.25 120.67 3i9d h VAL 67 Ca 0.18 -2.93 -0.19 0.00 0.82 0.00 0.00 66.70 64.57 3i9d h VAL 67 Cb 0.51 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 3i9d h VAL 67 CO 0.87 0.84 -2.19 0.61 0.02 0.00 0.00 177.57 177.71 3i9d n GLY 68 N 1.59 -1.00 3.67 2.17 0.00 -1.26 -4.26 105.19 106.09 3i9d n GLY 68 Ca -0.12 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3i9d n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9d s HIS 69 N -2.98 1.54 0.68 1.61 4.02 -1.26 -4.48 115.29 114.42 3i9d s HIS 69 Ca -0.09 -0.28 -0.07 0.00 1.02 0.00 0.00 55.06 55.64 3i9d s HIS 69 Cb 0.10 -4.18 0.00 0.00 -1.02 0.00 0.00 32.58 27.48 3i9d s HIS 69 CO 0.87 -5.17 -0.19 1.63 1.02 0.00 0.00 174.74 172.90 3i9d n LYS 70 N 7.15 -0.43 -0.02 1.40 4.76 -1.26 -4.66 118.16 125.11 3i9d n LYS 70 Ca 0.19 -0.13 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 3i9d n LYS 70 Cb 0.41 -1.09 -0.11 0.00 -1.84 0.00 0.00 35.03 32.39 3i9d n LYS 70 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i9d h LEU 71 N -1.97 0.32 -0.78 -0.35 3.38 -1.64 -3.27 115.31 111.00 3i9d h LEU 71 Ca -0.11 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3i9d h LEU 71 Cb 0.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i9d h LEU 71 CO 0.06 1.06 0.14 0.61 0.09 0.00 0.00 178.44 180.41 3i9d n GLY 72 N 1.10 -0.63 0.08 0.83 0.00 -1.17 -1.43 105.19 103.97 3i9d n GLY 72 Ca -0.10 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.18 3i9d n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9d n GLU 73 N -1.91 0.79 -1.03 1.61 1.02 -1.24 -3.82 120.64 116.06 3i9d n GLU 73 Ca -0.01 -0.16 0.03 0.00 -0.02 0.00 0.00 57.16 57.00 3i9d n GLU 73 Cb 0.16 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.22 3i9d n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i9d n PHE 74 N -0.96 0.24 -2.78 -0.32 3.72 -0.52 -4.81 117.46 112.03 3i9d n PHE 74 Ca 0.18 -1.29 -0.08 0.00 -0.05 0.00 0.00 57.45 56.21 3i9d n PHE 74 Cb 0.23 -0.23 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 3i9d n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i9d n ALA 75 N -0.61 -1.38 -1.46 4.37 0.00 -1.25 -4.90 120.51 115.28 3i9d n ALA 75 Ca 0.17 -1.37 -0.56 0.00 0.00 0.00 0.00 53.44 51.68 3i9d n ALA 75 Cb 0.84 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 3i9d n ALA 75 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i9d n PRO 76 N 2.09 0.00 0.14 0.00 -0.02 -1.26 -4.71 135.00 131.24 3i9d n PRO 76 Ca 0.13 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.47 3i9d n PRO 76 Cb 0.60 -1.39 -0.08 0.00 -0.02 0.00 0.00 33.50 32.61 3i9d n PRO 76 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3i9d h THR 77 N 2.60 0.79 0.00 3.45 2.02 -1.89 -3.45 112.91 116.42 3i9d h THR 77 Ca -0.46 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3i9d h THR 77 Cb 1.41 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3i9d h THR 77 CO 0.62 0.12 0.00 0.54 0.37 0.00 0.00 175.52 177.17 3i9d n ARG 78 N -5.11 0.00 0.00 6.66 5.12 -1.26 -4.97 116.66 117.10 3i9d n ARG 78 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3i9d n ARG 78 Cb 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 3i9d n ARG 78 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i9d n THR 79 N 0.00 0.00 0.00 0.55 -1.04 -1.26 -5.15 114.28 107.39 3i9d n THR 79 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3i9d n THR 79 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i9d n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i9d n TYR 80 N 0.00 0.00 -3.58 -1.42 9.36 -1.26 -5.09 117.16 115.17 3i9d n TYR 80 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3i9d n TYR 80 Cb 0.00 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.69 3i9d n TYR 80 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3i9d n ARG 81 N -3.11 0.00 -1.59 2.98 0.63 -1.26 -4.76 116.66 109.55 3i9d n ARG 81 Ca -0.01 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.87 3i9d n ARG 81 Cb 0.43 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.36 3i9d n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9d n GLY 82 N 0.00 2.11 0.67 5.14 0.00 -1.26 -5.07 105.19 106.79 3i9d n GLY 82 Ca 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 3i9d n GLY 82 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i9d n HIS 83 N -1.23 0.00 -1.05 1.61 -0.00 -1.26 -4.71 115.22 108.57 3i9d n HIS 83 Ca 0.03 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.97 3i9d n HIS 83 Cb 0.15 -0.07 0.13 0.00 -0.12 0.00 0.00 29.99 30.08 3i9d n HIS 83 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i9d n GLY 84 N 3.03 4.62 0.89 1.57 0.00 -1.26 -5.32 105.19 108.73 3i9d n GLY 84 Ca -0.04 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.78 3i9d n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60