#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7z h TYR 25 N 0.00 0.55 -0.25 -2.53 3.20 -1.99 -2.06 116.97 113.89 1j7z h TYR 25 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1j7z h TYR 25 Cb 0.00 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1j7z h TYR 25 CO 0.00 0.09 0.05 0.00 -1.64 0.00 0.00 178.16 176.66 1j7z h ASN 27 N 0.23 1.00 -0.03 0.00 4.21 -1.82 0.40 115.58 119.58 1j7z h ASN 27 Ca 0.08 -0.10 -0.13 0.00 1.21 0.00 0.00 56.30 57.36 1j7z h ASN 27 Cb 0.31 -0.25 0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1j7z h ASN 27 CO 0.00 0.83 -0.48 1.56 -1.29 0.00 0.00 177.43 178.06 1j7z h GLN 28 N 1.10 0.37 -0.14 0.81 7.50 -1.23 -2.87 115.11 120.65 1j7z h GLN 28 Ca 0.27 -0.36 -0.14 0.00 0.50 0.00 0.00 58.65 58.92 1j7z h GLN 28 Cb 0.09 0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 1j7z h GLN 28 CO -0.04 1.03 -0.51 1.98 -1.50 0.00 0.00 178.83 179.79 1j7z h MET 29 N -0.15 0.40 -0.19 1.46 4.05 -0.48 -0.25 114.93 119.77 1j7z h MET 29 Ca -0.05 -0.23 -0.12 0.00 -0.28 0.00 0.00 59.70 59.01 1j7z h MET 29 Cb 1.18 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 1j7z h MET 29 CO 0.10 0.82 -0.41 0.52 0.23 0.00 0.00 176.91 178.17 1j7z h MET 30 N 0.31 0.45 0.15 0.39 2.86 -1.01 -1.39 114.93 116.69 1j7z h MET 30 Ca 0.01 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1j7z h MET 30 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1j7z h MET 30 CO 0.09 0.78 -0.07 0.87 1.06 0.00 0.00 176.91 179.64 1j7z h LYS 31 N 0.37 -0.19 -0.82 1.72 6.56 -1.29 -0.20 116.57 122.71 1j7z h LYS 31 Ca 0.03 0.01 0.15 0.00 -1.06 0.00 0.00 60.65 59.79 1j7z h LYS 31 Cb 0.87 0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 32.48 1j7z h LYS 31 CO 0.07 0.25 0.38 0.77 -2.06 0.00 0.00 179.45 178.87 1j7z h SER 32 N -0.77 0.42 -0.10 0.86 0.02 -1.00 -1.45 113.55 111.52 1j7z h SER 32 Ca -0.02 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1j7z h SER 32 Cb 0.53 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1j7z h SER 32 CO 0.03 0.15 0.00 0.54 -1.14 0.00 0.00 176.83 176.42 1j7z n ARG 33 N -4.94 1.52 -3.65 3.45 5.12 -0.53 -4.87 116.66 112.76 1j7z n ARG 33 Ca 0.17 -0.49 -0.24 0.00 -1.93 0.00 0.00 57.85 55.35 1j7z n ARG 33 Cb 0.46 -1.44 0.07 0.00 -1.16 0.00 0.00 32.46 30.38 1j7z n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1j7z n ASN 34 N 0.02 -5.42 -0.05 0.55 4.05 -0.55 -4.91 115.26 108.96 1j7z n ASN 34 Ca 0.04 -0.61 -0.02 0.00 0.45 0.00 0.00 54.58 54.45 1j7z n ASN 34 Cb 0.30 -4.78 -0.11 0.00 1.23 0.00 0.00 39.78 36.42 1j7z n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j7z n LEU 35 N -4.83 0.00 -0.26 1.20 4.77 -0.11 -4.61 117.00 113.17 1j7z n LEU 35 Ca -0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1j7z n LEU 35 Cb 0.57 0.22 0.10 0.00 -2.33 0.00 0.00 43.42 41.97 1j7z n LEU 35 CO 0.67 0.22 0.45 0.35 -1.33 0.00 0.00 177.39 177.74 1j7z n THR 36 N -2.33 1.27 0.08 -5.08 -2.24 -1.07 -4.06 114.28 100.85 1j7z n THR 36 Ca -0.15 -1.57 -0.06 0.00 -2.27 0.00 0.00 64.05 60.00 1j7z n THR 36 Cb 0.74 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1j7z n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1j7z h LYS 37 N 0.06 0.02 0.00 -0.78 1.57 -1.82 -3.34 116.57 112.28 1j7z h LYS 37 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1j7z h LYS 37 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1j7z h LYS 37 CO 0.00 0.90 -0.01 -0.40 -0.57 0.00 0.00 179.45 179.37 1j7z n ASP 38 N -3.50 1.79 0.00 0.86 5.75 -1.26 -5.07 116.55 115.13 1j7z n ASP 38 Ca -0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1j7z n ASP 38 Cb 0.85 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1j7z n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1j7z n ARG 39 N -0.53 0.00 -3.52 0.11 1.85 -1.25 -5.11 116.66 108.21 1j7z n ARG 39 Ca 0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 1j7z n ARG 39 Cb 0.32 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.63 1j7z n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j7z s LYS 41 N 1.60 4.38 0.11 0.00 2.20 -1.26 -4.96 119.74 121.81 1j7z s LYS 41 Ca 0.03 1.74 -0.27 0.00 -0.36 0.00 0.00 55.97 57.11 1j7z s LYS 41 Cb -0.20 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.56 1j7z s LYS 41 CO 0.08 -0.39 1.64 -1.35 -0.36 0.00 0.00 175.35 174.97 1j7z h PRO 42 N 7.25 -0.43 -4.11 4.03 0.11 -1.96 -3.43 132.00 133.46 1j7z h PRO 42 Ca -0.37 0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 1j7z h PRO 42 Cb 1.18 0.10 -0.21 0.00 0.11 0.00 0.00 31.00 32.18 1j7z h PRO 42 CO 0.86 -0.29 -0.71 0.54 -0.21 0.00 0.00 178.00 178.19 1j7z s VAL 43 N -6.07 0.20 -0.17 3.15 0.11 -1.26 -1.33 120.40 115.03 1j7z s VAL 43 Ca -0.15 -0.97 -0.27 0.00 -2.93 0.00 0.00 61.98 57.66 1j7z s VAL 43 Cb 0.08 -0.36 0.07 0.00 -1.53 0.00 0.00 36.38 34.63 1j7z s VAL 43 CO 0.65 -0.49 0.69 0.21 -3.33 0.00 0.00 175.10 172.83 1j7z s ASN 44 N -1.52 -0.70 -0.08 3.54 2.47 -0.86 -5.01 114.94 112.78 1j7z s ASN 44 Ca -0.14 1.11 0.05 0.00 0.42 0.00 0.00 52.86 54.29 1j7z s ASN 44 Cb -0.10 1.05 -0.01 0.00 -1.45 0.00 0.00 41.25 40.74 1j7z s ASN 44 CO -0.01 -0.40 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.84 1j7z s THR 45 N -0.31 2.15 -0.17 -5.21 2.01 -1.26 -0.69 115.64 112.16 1j7z s THR 45 Ca -0.05 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 1j7z s THR 45 Cb -0.03 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1j7z s THR 45 CO 0.05 0.56 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.12 1j7z s PHE 46 N 0.10 2.96 -0.12 4.92 0.08 -0.62 -4.95 117.98 120.35 1j7z s PHE 46 Ca -0.11 -0.53 -0.13 0.00 0.12 0.00 0.00 56.93 56.27 1j7z s PHE 46 Cb -0.16 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1j7z s PHE 46 CO 0.06 -0.21 0.31 0.08 -0.10 0.00 0.00 175.22 175.36 1j7z s VAL 47 N 0.68 5.26 -0.93 -0.44 1.01 -1.26 -1.00 120.40 123.72 1j7z s VAL 47 Ca -0.03 0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 1j7z s VAL 47 Cb -0.15 -3.63 0.33 0.00 0.00 0.00 0.00 36.38 32.93 1j7z s VAL 47 CO 0.02 0.46 1.75 1.41 0.00 0.00 0.00 175.10 178.74 1j7z n HIS 48 N 2.98 2.97 -4.29 5.22 -0.00 0.42 -4.95 115.22 117.59 1j7z n HIS 48 Ca -0.13 -2.69 -0.15 0.00 -0.00 0.00 0.00 57.72 54.75 1j7z n HIS 48 Cb 0.52 -1.08 -0.10 0.00 -0.00 0.00 0.00 29.99 29.33 1j7z n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1j7z s GLU 49 N -4.17 1.23 0.66 -0.41 0.41 -1.26 -4.66 118.70 110.50 1j7z s GLU 49 Ca 0.43 -1.62 -0.17 0.00 -0.41 0.00 0.00 54.97 53.21 1j7z s GLU 49 Cb 0.25 -0.41 0.00 0.00 -1.78 0.00 0.00 34.13 32.19 1j7z s GLU 49 CO -0.19 -0.13 1.20 -1.54 -0.49 0.00 0.00 175.26 174.11 1j7z s SER 50 N -3.24 4.74 0.43 -0.19 1.04 -1.26 -4.89 113.70 110.33 1j7z s SER 50 Ca 0.27 2.34 0.11 0.00 0.48 0.00 0.00 55.95 59.15 1j7z s SER 50 Cb 0.06 -2.59 0.93 0.00 0.10 0.00 0.00 66.02 64.52 1j7z s SER 50 CO 0.07 -1.90 2.00 0.25 0.98 0.00 0.00 173.24 174.64 1j7z h LEU 51 N 0.28 0.18 -0.40 2.42 5.85 -2.00 -2.46 115.31 119.18 1j7z h LEU 51 Ca -0.49 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.03 1j7z h LEU 51 Cb 1.29 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1j7z h LEU 51 CO 0.53 0.26 -0.64 0.00 -0.34 0.00 0.00 178.44 178.25 1j7z h ALA 52 N 1.76 0.58 -0.01 1.25 0.00 -1.98 -1.45 119.26 119.41 1j7z h ALA 52 Ca 0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1j7z h ALA 52 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1j7z h ALA 52 CO 0.01 0.71 -0.34 -0.44 0.00 0.00 0.00 179.25 179.19 1j7z h ASP 53 N 0.44 0.01 0.51 0.00 3.32 -1.82 -0.48 116.42 118.41 1j7z h ASP 53 Ca -0.01 -0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.74 1j7z h ASP 53 Cb 1.21 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1j7z h ASP 53 CO 0.12 0.35 -1.43 0.58 -1.72 0.00 0.00 179.24 177.15 1j7z h VAL 54 N 0.01 1.28 0.00 -1.35 2.07 -1.39 -3.24 116.25 113.64 1j7z h VAL 54 Ca -0.00 -2.89 -0.05 0.00 0.82 0.00 0.00 66.70 64.57 1j7z h VAL 54 Cb 0.61 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1j7z h VAL 54 CO 0.04 0.84 -0.26 1.56 0.02 0.00 0.00 177.57 179.78 1j7z h GLN 55 N 0.07 0.00 0.00 1.57 4.20 -0.95 -2.40 115.11 117.60 1j7z h GLN 55 Ca -0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1j7z h GLN 55 Cb 2.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.78 1j7z h GLN 55 CO 0.18 0.26 -0.07 0.00 -0.67 0.00 0.00 178.83 178.53 1j7z h ALA 56 N 1.74 1.26 0.00 3.87 0.00 -1.11 -2.81 119.26 122.21 1j7z h ALA 56 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j7z h ALA 56 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j7z h ALA 56 CO 0.03 0.09 -0.01 0.28 0.00 0.00 0.00 179.25 179.64 1j7z h VAL 57 N 0.00 0.15 0.00 0.00 2.07 -1.53 -2.48 116.25 114.45 1j7z h VAL 57 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1j7z h VAL 57 Cb 0.24 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1j7z h VAL 57 CO 0.01 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1j7z n SER 59 N -1.26 1.84 0.00 0.00 3.41 -0.93 -5.01 113.62 111.67 1j7z n SER 59 Ca 0.06 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1j7z n SER 59 Cb 0.09 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1j7z n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7z n GLN 60 N -1.11 3.48 -1.75 4.33 6.02 -0.59 -5.01 117.38 122.75 1j7z n GLN 60 Ca 0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1j7z n GLN 60 Cb 0.64 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.87 1j7z n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1j7z s LYS 61 N 4.38 3.99 -0.00 -1.09 2.47 -1.16 -4.86 119.74 123.47 1j7z s LYS 61 Ca 0.00 2.40 -0.26 0.00 -1.56 0.00 0.00 55.97 56.55 1j7z s LYS 61 Cb 0.00 -4.15 -0.04 0.00 -1.46 0.00 0.00 37.83 32.17 1j7z s LYS 61 CO 0.00 -1.12 0.81 1.21 0.16 0.00 0.00 175.35 176.41 1j7z s ASN 62 N 4.78 7.19 0.28 1.43 3.04 -1.26 0.02 114.94 130.41 1j7z s ASN 62 Ca 0.87 1.43 0.04 0.00 0.04 0.00 0.00 52.86 55.23 1j7z s ASN 62 Cb -0.39 -2.48 -0.04 0.00 -1.54 0.00 0.00 41.25 36.81 1j7z s ASN 62 CO 0.38 -0.10 0.20 0.68 -3.04 0.00 0.00 177.10 175.22 1j7z s VAL 63 N 0.51 0.08 0.26 -5.21 -7.23 0.05 -4.91 120.40 103.94 1j7z s VAL 63 Ca 0.42 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 1j7z s VAL 63 Cb -0.20 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1j7z s VAL 63 CO 0.23 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.61 1j7z s ALA 64 N -3.72 3.51 0.52 1.32 0.00 -1.26 -3.32 121.76 118.81 1j7z s ALA 64 Ca 0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1j7z s ALA 64 Cb 0.04 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1j7z s ALA 64 CO 0.20 0.44 0.82 0.00 0.00 0.00 0.00 175.76 177.23 1j7z h LYS 66 N 0.09 -0.19 0.00 0.00 1.57 -1.94 0.34 116.57 116.44 1j7z h LYS 66 Ca -0.46 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1j7z h LYS 66 Cb 1.22 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1j7z h LYS 66 CO 0.61 -0.12 0.17 -2.95 -0.57 0.00 0.00 179.45 176.59 1j7z h ASN 67 N -0.19 0.00 0.00 0.86 -1.07 -2.02 -3.44 115.58 109.72 1j7z h ASN 67 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.58 1j7z h ASN 67 Cb 0.55 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 1j7z h ASN 67 CO -0.64 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.47 1j7z n GLY 68 N -1.28 0.90 3.92 9.14 0.00 0.12 -5.10 105.19 112.89 1j7z n GLY 68 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1j7z n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j7z s GLN 69 N -0.80 1.38 -0.07 1.61 -1.52 -1.24 -4.74 119.66 114.28 1j7z s GLN 69 Ca 0.00 -0.16 0.13 0.00 -1.95 0.00 0.00 55.36 53.37 1j7z s GLN 69 Cb 0.00 -1.92 0.24 0.00 -0.22 0.00 0.00 33.01 31.11 1j7z s GLN 69 CO 0.00 -1.94 1.11 2.41 -0.25 0.00 0.00 175.29 176.62 1j7z n THR 70 N -3.49 0.87 -1.24 -0.19 -1.04 -1.26 0.40 114.28 108.32 1j7z n THR 70 Ca 0.11 -1.37 -0.30 0.00 -2.04 0.00 0.00 64.05 60.45 1j7z n THR 70 Cb 0.60 0.29 0.10 0.00 -1.82 0.00 0.00 70.33 69.51 1j7z n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1j7z n ASN 71 N -0.46 6.53 -4.57 8.00 6.94 -1.26 -4.70 115.26 125.74 1j7z n ASN 71 Ca 0.09 -3.67 -0.29 0.00 -0.02 0.00 0.00 54.58 50.69 1j7z n ASN 71 Cb 0.78 -0.94 -0.10 0.00 -2.36 0.00 0.00 39.78 37.16 1j7z n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1j7z s TYR 73 N -1.37 -0.06 -0.14 0.00 2.02 -0.03 -0.77 117.35 117.01 1j7z s TYR 73 Ca 0.22 0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 57.04 1j7z s TYR 73 Cb -0.10 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 1j7z s TYR 73 CO 0.14 -0.05 0.04 -1.14 -1.57 0.00 0.00 175.55 172.97 1j7z s GLN 74 N 0.25 3.51 0.41 -0.62 0.74 0.10 -1.87 119.66 122.19 1j7z s GLN 74 Ca -0.02 -0.36 -0.25 0.00 0.05 0.00 0.00 55.36 54.78 1j7z s GLN 74 Cb -0.03 -3.03 -0.08 0.00 1.10 0.00 0.00 33.01 30.97 1j7z s GLN 74 CO -0.01 0.50 1.24 -1.54 -0.55 0.00 0.00 175.29 174.93 1j7z s SER 75 N -0.28 6.36 0.25 6.67 1.04 -0.63 -2.96 113.70 124.16 1j7z s SER 75 Ca 0.07 2.51 -0.03 0.00 0.48 0.00 0.00 55.95 58.98 1j7z s SER 75 Cb -0.12 -2.63 0.29 0.00 0.10 0.00 0.00 66.02 63.66 1j7z s SER 75 CO 0.02 -0.80 1.75 1.88 0.98 0.00 0.00 173.24 177.07 1j7z h TYR 76 N 2.60 0.92 -1.61 5.02 0.05 -1.96 -3.44 116.97 118.55 1j7z h TYR 76 Ca -0.49 -0.12 -0.55 0.00 0.05 0.00 0.00 58.73 57.62 1j7z h TYR 76 Cb 1.24 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 38.66 1j7z h TYR 76 CO 0.54 0.82 -0.47 -1.54 -1.05 0.00 0.00 178.16 176.45 1j7z s SER 77 N -6.60 4.60 0.30 3.88 1.04 -1.26 -5.08 113.70 110.57 1j7z s SER 77 Ca -0.10 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.26 1j7z s SER 77 Cb 0.15 -0.53 -0.07 0.00 0.10 0.00 0.00 66.02 65.66 1j7z s SER 77 CO 0.82 -0.54 0.64 0.42 0.98 0.00 0.00 173.24 175.56 1j7z s THR 78 N -2.55 4.85 0.13 2.02 -4.23 -1.26 -4.45 115.64 110.15 1j7z s THR 78 Ca 0.42 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.56 1j7z s THR 78 Cb 0.01 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1j7z s THR 78 CO 0.24 -0.22 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.93 1j7z s MET 79 N -3.16 1.03 -0.01 3.99 -1.94 0.31 -4.81 119.30 114.70 1j7z s MET 79 Ca 0.50 -1.29 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 1j7z s MET 79 Cb -0.11 -0.83 -0.04 0.00 2.01 0.00 0.00 34.83 35.86 1j7z s MET 79 CO 0.23 0.15 1.21 0.45 -0.01 0.00 0.00 175.02 177.05 1j7z s SER 80 N -2.63 7.06 0.04 3.03 0.15 -1.26 -1.70 113.70 118.39 1j7z s SER 80 Ca 0.11 1.89 -0.00 0.00 0.70 0.00 0.00 55.95 58.65 1j7z s SER 80 Cb -0.03 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1j7z s SER 80 CO 0.03 -0.55 -0.04 0.27 1.20 0.00 0.00 173.24 174.15 1j7z s ILE 81 N 1.84 0.26 -0.16 6.45 -4.36 0.15 -0.43 121.20 124.94 1j7z s ILE 81 Ca 0.57 -1.41 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1j7z s ILE 81 Cb -0.26 -0.96 0.02 0.00 1.25 0.00 0.00 42.46 42.51 1j7z s ILE 81 CO 0.25 -0.74 -0.15 -0.89 0.24 0.00 0.00 174.94 173.65 1j7z s THR 82 N -2.70 1.69 -0.10 8.37 2.01 -0.17 -0.55 115.64 124.19 1j7z s THR 82 Ca -0.03 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.03 1j7z s THR 82 Cb -0.01 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1j7z s THR 82 CO -0.05 0.43 0.47 -1.81 -0.69 0.00 0.00 174.62 172.97 1j7z s ASP 83 N 1.43 6.70 -0.27 3.53 1.01 0.54 -1.59 116.67 128.03 1j7z s ASP 83 Ca 0.04 0.83 -0.03 0.00 0.71 0.00 0.00 52.55 54.10 1j7z s ASP 83 Cb -0.13 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.54 1j7z s ASP 83 CO -0.11 0.04 -0.01 0.00 0.21 0.00 0.00 175.17 175.30 1j7z s ARG 85 N 1.37 3.13 0.18 0.00 6.06 -0.35 -2.02 118.95 127.32 1j7z s ARG 85 Ca 0.00 -0.82 -0.31 0.00 -2.50 0.00 0.00 55.73 52.11 1j7z s ARG 85 Cb -0.17 -2.46 -0.09 0.00 0.06 0.00 0.00 34.95 32.29 1j7z s ARG 85 CO -0.02 0.10 1.44 -2.00 -2.50 0.00 0.00 175.30 172.32 1j7z s GLU 86 N 0.57 4.29 0.90 5.12 2.12 -0.44 0.16 118.70 131.41 1j7z s GLU 86 Ca -0.12 2.22 -0.11 0.00 0.36 0.00 0.00 54.97 57.32 1j7z s GLU 86 Cb -0.16 -3.17 0.13 0.00 0.26 0.00 0.00 34.13 31.18 1j7z s GLU 86 CO 0.04 -0.45 1.10 0.95 -0.54 0.00 0.00 175.26 176.36 1j7z s THR 87 N 0.64 2.62 0.35 -1.70 -4.23 -0.58 -4.85 115.64 107.89 1j7z s THR 87 Ca 0.63 0.20 0.17 0.00 -1.18 0.00 0.00 61.69 61.52 1j7z s THR 87 Cb -0.40 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.08 1j7z s THR 87 CO 0.35 -0.26 1.88 1.23 -0.54 0.00 0.00 174.62 177.27 1j7z h GLY 88 N -1.64 0.00 0.48 3.99 0.00 -1.94 -2.66 103.07 101.31 1j7z h GLY 88 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1j7z h GLY 88 CO 0.50 0.00 -0.17 -1.14 0.00 0.00 0.00 176.54 175.73 1j7z n SER 89 N -3.89 0.81 -4.75 0.19 3.41 -1.26 -4.93 113.62 103.20 1j7z n SER 89 Ca -0.02 -0.80 -0.41 0.00 -0.26 0.00 0.00 58.87 57.38 1j7z n SER 89 Cb 0.38 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1j7z n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j7z s SER 90 N -2.44 6.51 -0.22 4.04 0.15 -1.00 -5.02 113.70 115.72 1j7z s SER 90 Ca 0.28 2.81 -0.15 0.00 0.70 0.00 0.00 55.95 59.59 1j7z s SER 90 Cb 0.20 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 1j7z s SER 90 CO 0.48 -0.80 0.55 -0.75 1.20 0.00 0.00 173.24 173.92 1j7z s LYS 91 N -0.50 0.57 0.41 5.44 2.20 -1.17 -4.95 119.74 121.75 1j7z s LYS 91 Ca 0.61 0.93 -0.27 0.00 -0.36 0.00 0.00 55.97 56.88 1j7z s LYS 91 Cb -0.45 0.13 -0.10 0.00 -1.51 0.00 0.00 37.83 35.91 1j7z s LYS 91 CO 0.46 -0.13 1.45 -0.47 -0.36 0.00 0.00 175.35 176.30 1j7z s TYR 92 N 1.14 2.53 -1.27 4.03 5.04 -1.26 -0.49 117.35 127.06 1j7z s TYR 92 Ca -0.07 1.22 0.26 0.00 -2.44 0.00 0.00 57.07 56.04 1j7z s TYR 92 Cb -0.06 -3.97 1.23 0.00 0.35 0.00 0.00 41.96 39.52 1j7z s TYR 92 CO -0.11 -2.95 1.86 -0.35 -1.34 0.00 0.00 175.55 172.66 1j7z n PRO 93 N 0.13 0.24 -2.35 4.97 -0.04 -1.26 -4.97 135.00 131.71 1j7z n PRO 93 Ca 0.03 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1j7z n PRO 93 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1j7z n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1j7z n ASN 94 N -1.36 4.96 -4.77 3.54 3.02 0.36 -4.99 115.26 116.02 1j7z n ASN 94 Ca 0.10 -3.06 -0.38 0.00 -0.03 0.00 0.00 54.58 51.21 1j7z n ASN 94 Cb 0.24 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 37.86 1j7z n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j7z s ALA 96 N -1.44 0.53 0.05 0.00 0.00 -1.26 -4.97 121.76 114.67 1j7z s ALA 96 Ca 0.54 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.33 1j7z s ALA 96 Cb -0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1j7z s ALA 96 CO 0.35 0.11 -0.18 0.71 0.00 0.00 0.00 175.76 176.75 1j7z s TYR 97 N 0.02 1.53 -0.27 0.00 2.02 -1.26 -1.53 117.35 117.86 1j7z s TYR 97 Ca 0.00 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.23 1j7z s TYR 97 Cb -0.04 -0.90 -0.05 0.00 -0.40 0.00 0.00 41.96 40.57 1j7z s TYR 97 CO -0.00 0.07 0.18 0.21 -1.57 0.00 0.00 175.55 174.44 1j7z s LYS 98 N -1.23 3.96 -0.22 -0.62 2.36 0.43 -4.86 119.74 119.57 1j7z s LYS 98 Ca 0.04 -0.32 -0.17 0.00 -2.55 0.00 0.00 55.97 52.98 1j7z s LYS 98 Cb -0.08 -3.62 -0.04 0.00 -1.05 0.00 0.00 37.83 33.04 1j7z s LYS 98 CO 0.02 -0.13 0.44 0.99 1.55 0.00 0.00 175.35 178.22 1j7z s THR 99 N 1.60 5.15 -0.29 3.43 2.01 -1.26 -1.21 115.64 125.08 1j7z s THR 99 Ca 0.07 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1j7z s THR 99 Cb -0.15 -3.76 0.09 0.00 0.01 0.00 0.00 72.50 68.68 1j7z s THR 99 CO 0.09 0.19 0.05 -0.89 -0.69 0.00 0.00 174.62 173.37 1j7z s THR 100 N 1.66 1.27 0.30 -0.82 2.01 -0.19 -4.98 115.64 114.88 1j7z s THR 100 Ca 0.20 -1.46 -0.25 0.00 0.31 0.00 0.00 61.69 60.49 1j7z s THR 100 Cb -0.15 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 1j7z s THR 100 CO 0.09 -0.48 0.89 -1.58 -0.69 0.00 0.00 174.62 172.86 1j7z s GLN 101 N 1.45 4.52 0.16 4.92 2.00 -1.26 -0.34 119.66 131.10 1j7z s GLN 101 Ca 0.05 1.23 -0.25 0.00 -2.00 0.00 0.00 55.36 54.39 1j7z s GLN 101 Cb -0.18 -2.83 0.06 0.00 0.80 0.00 0.00 33.01 30.86 1j7z s GLN 101 CO -0.16 0.31 0.93 0.00 -0.50 0.00 0.00 175.29 175.88 1j7z s ALA 102 N -1.59 -1.62 -0.23 1.58 0.00 0.29 -4.96 121.76 115.24 1j7z s ALA 102 Ca 0.48 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1j7z s ALA 102 Cb -0.18 0.66 0.05 0.00 0.00 0.00 0.00 23.12 23.64 1j7z s ALA 102 CO 0.23 -1.03 -0.12 -0.80 0.00 0.00 0.00 175.76 174.04 1j7z s ASN 103 N -2.93 3.95 0.17 0.00 0.01 -1.26 0.30 114.94 115.18 1j7z s ASN 103 Ca 0.12 -1.15 -0.09 0.00 -0.71 0.00 0.00 52.86 51.03 1j7z s ASN 103 Cb -0.02 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.20 1j7z s ASN 103 CO 0.02 -0.15 0.30 -0.54 -1.51 0.00 0.00 177.10 175.22 1j7z s LYS 104 N 1.22 1.18 0.10 -0.60 1.02 -0.69 -4.79 119.74 117.19 1j7z s LYS 104 Ca -0.05 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.48 1j7z s LYS 104 Cb -0.18 0.39 -0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1j7z s LYS 104 CO -0.07 -0.44 1.01 -1.01 -0.92 0.00 0.00 175.35 173.92 1j7z s HIS 105 N -3.97 3.71 0.14 3.18 3.76 -1.26 -0.53 115.29 120.32 1j7z s HIS 105 Ca 0.17 1.70 0.01 0.00 -0.15 0.00 0.00 55.06 56.79 1j7z s HIS 105 Cb 0.03 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 1j7z s HIS 105 CO 0.00 -0.12 0.29 0.96 -0.85 0.00 0.00 174.74 175.02 1j7z s ILE 106 N 0.21 5.31 -0.09 0.60 -4.36 -1.26 -0.08 121.20 121.53 1j7z s ILE 106 Ca 0.49 -0.53 0.01 0.00 -0.26 0.00 0.00 60.65 60.36 1j7z s ILE 106 Cb -0.25 -3.71 0.02 0.00 1.25 0.00 0.00 42.46 39.77 1j7z s ILE 106 CO 0.30 -0.05 -0.09 -0.63 0.24 0.00 0.00 174.94 174.71 1j7z s ILE 107 N -1.71 1.03 0.12 8.37 1.01 0.15 -1.60 121.20 128.58 1j7z s ILE 107 Ca 0.36 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.72 1j7z s ILE 107 Cb -0.12 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1j7z s ILE 107 CO 0.28 0.35 -0.15 0.68 0.00 0.00 0.00 174.94 176.11 1j7z s VAL 108 N 1.27 1.39 -0.21 2.92 -7.23 -0.78 -0.50 120.40 117.26 1j7z s VAL 108 Ca -0.03 -1.71 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1j7z s VAL 108 Cb -0.14 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 1j7z s VAL 108 CO -0.03 -0.38 0.13 0.00 -0.31 0.00 0.00 175.10 174.51 1j7z s ALA 109 N -2.03 3.62 0.07 1.32 0.00 -0.26 -0.85 121.76 123.63 1j7z s ALA 109 Ca 0.09 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1j7z s ALA 109 Cb -0.06 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1j7z s ALA 109 CO 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 175.76 175.79 1j7z s GLU 111 N -2.12 1.22 0.64 0.00 2.02 -0.44 -4.90 118.70 115.12 1j7z s GLU 111 Ca 0.24 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1j7z s GLU 111 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1j7z s GLU 111 CO 0.16 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1j7z n GLY 112 N -0.25 -2.00 2.66 -1.39 0.00 -1.26 -2.32 105.19 100.62 1j7z n GLY 112 Ca -0.17 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 1j7z n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j7z s ASN 113 N -3.89 1.88 0.91 1.61 3.84 -1.26 -2.56 114.94 115.46 1j7z s ASN 113 Ca 0.00 -0.37 -0.11 0.00 0.21 0.00 0.00 52.86 52.59 1j7z s ASN 113 Cb 0.00 -0.07 0.14 0.00 -0.55 0.00 0.00 41.25 40.78 1j7z s ASN 113 CO 0.00 -0.32 1.11 -2.16 -2.79 0.00 0.00 177.10 172.94 1j7z s PRO 114 N 2.19 1.05 -0.58 0.43 0.04 -1.26 -5.05 135.00 131.82 1j7z s PRO 114 Ca 0.03 1.29 -0.27 0.00 0.04 0.00 0.00 61.00 62.09 1j7z s PRO 114 Cb -0.15 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1j7z s PRO 114 CO -0.09 -2.52 1.60 -0.47 0.04 0.00 0.00 177.00 175.57 1j7z s TYR 115 N -2.71 2.00 0.19 0.56 5.04 -1.06 -4.88 117.35 116.48 1j7z s TYR 115 Ca 0.65 0.53 0.06 0.00 -2.44 0.00 0.00 57.07 55.87 1j7z s TYR 115 Cb -0.21 -4.28 -0.05 0.00 0.35 0.00 0.00 41.96 37.77 1j7z s TYR 115 CO 0.58 -2.22 -0.10 0.14 -1.34 0.00 0.00 175.55 172.62 1j7z s VAL 116 N 7.24 1.38 0.25 3.14 -7.23 -0.98 -4.85 120.40 119.35 1j7z s VAL 116 Ca 0.58 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1j7z s VAL 116 Cb -0.12 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 1j7z s VAL 116 CO 0.23 -0.61 1.33 -2.16 -0.31 0.00 0.00 175.10 173.58 1j7z s PRO 117 N -3.73 4.37 0.00 4.82 0.04 -1.26 -1.33 135.00 137.91 1j7z s PRO 117 Ca 0.21 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1j7z s PRO 117 Cb 0.02 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1j7z s PRO 117 CO 0.05 -0.25 0.00 1.33 0.04 0.00 0.00 177.00 178.17 1j7z n VAL 118 N 2.02 0.00 -3.84 -0.36 0.24 -0.36 -4.91 118.33 111.12 1j7z n VAL 118 Ca 0.04 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1j7z n VAL 118 Cb 0.42 0.71 -0.11 0.00 -1.47 0.00 0.00 33.84 33.39 1j7z n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1j7z s HIS 119 N -1.07 -0.08 -0.41 6.34 3.76 -1.17 -5.01 115.29 117.65 1j7z s HIS 119 Ca 0.00 0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.94 1j7z s HIS 119 Cb 0.00 0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.73 1j7z s HIS 119 CO 0.00 -0.20 0.28 0.12 -0.85 0.00 0.00 174.74 174.10 1j7z s PHE 120 N -0.67 3.24 -0.01 1.40 2.19 -1.26 -1.10 117.98 121.78 1j7z s PHE 120 Ca -0.08 -0.73 -0.19 0.00 0.33 0.00 0.00 56.93 56.26 1j7z s PHE 120 Cb -0.04 -2.61 -0.32 0.00 -1.31 0.00 0.00 43.02 38.74 1j7z s PHE 120 CO 0.01 -0.63 0.97 0.22 1.83 0.00 0.00 175.22 177.62 1j7z h ASP 121 N 8.59 0.64 0.00 6.13 3.58 -1.13 -3.49 116.42 130.74 1j7z h ASP 121 Ca -0.27 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.27 1j7z h ASP 121 Cb 1.11 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1j7z h ASP 121 CO 0.73 1.50 0.00 0.00 -2.88 0.00 0.00 179.24 178.59 1j7z n ALA 122 N -2.68 0.00 -3.78 -0.78 0.00 -0.91 -4.98 120.51 107.38 1j7z n ALA 122 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1j7z n ALA 122 Cb 0.92 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.19 1j7z n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j7z s SER 123 N 0.00 1.87 0.00 0.00 1.04 -1.26 0.33 113.70 115.69 1j7z s SER 123 Ca 0.00 -0.23 0.21 0.00 0.48 0.00 0.00 55.95 56.41 1j7z s SER 123 Cb 0.00 -0.51 0.17 0.00 0.10 0.00 0.00 66.02 65.78 1j7z s SER 123 CO 0.00 -0.20 1.18 1.33 0.98 0.00 0.00 173.24 176.53