#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4v n GLY 2 N 0.00 2.54 2.31 -0.72 0.00 -1.26 -4.94 105.19 103.12 1j4v n GLY 2 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1j4v n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4v n LYS 3 N 13.17 -0.84 -0.26 1.61 5.02 -1.26 -4.93 118.16 130.67 1j4v n LYS 3 Ca 0.00 0.82 0.10 0.00 -2.02 0.00 0.00 58.31 57.22 1j4v n LYS 3 Cb 0.00 -4.86 0.36 0.00 -0.02 0.00 0.00 35.03 30.51 1j4v n LYS 3 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1j4v h PHE 4 N 0.00 0.84 -0.36 2.13 -0.00 -2.00 -2.61 116.94 114.93 1j4v h PHE 4 Ca -0.25 0.02 0.10 0.00 -0.00 0.00 0.00 57.97 57.85 1j4v h PHE 4 Cb 0.87 -0.27 -0.01 0.00 -0.00 0.00 0.00 35.95 36.54 1j4v h PHE 4 CO 0.32 0.34 0.31 0.66 -0.00 0.00 0.00 178.31 179.95 1j4v h SER 5 N 0.74 0.00 0.44 -0.68 4.64 -1.91 -2.07 113.55 114.70 1j4v h SER 5 Ca 0.42 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 1j4v h SER 5 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1j4v h SER 5 CO -0.19 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.18 1j4v h GLN 6 N 0.00 0.00 0.00 4.77 1.08 -1.88 -3.21 115.11 115.87 1j4v h GLN 6 Ca 0.17 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1j4v h GLN 6 Cb 0.79 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.15 1j4v h GLN 6 CO -0.00 0.16 -0.46 0.25 -0.95 0.00 0.00 178.83 177.83 1j4v n THR 7 N -3.67 1.37 -4.28 -0.54 -2.24 -0.79 -5.05 114.28 99.08 1j4v n THR 7 Ca -0.02 -2.06 -0.15 0.00 -2.27 0.00 0.00 64.05 59.56 1j4v n THR 7 Cb 0.28 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 1j4v n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4v s TYR 9 N -3.70 0.25 -1.44 0.00 1.13 0.28 -4.89 117.35 108.98 1j4v s TYR 9 Ca 0.30 -0.62 -0.08 0.00 -1.41 0.00 0.00 57.07 55.26 1j4v s TYR 9 Cb 0.07 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.20 1j4v s TYR 9 CO 0.08 -1.01 0.97 0.09 -2.51 0.00 0.00 175.55 173.18 1j4v n ASN 10 N -0.38 -6.24 -4.80 -0.18 3.02 -1.26 -1.57 115.26 103.85 1j4v n ASN 10 Ca -0.03 -0.46 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 1j4v n ASN 10 Cb 0.62 -4.95 -0.05 0.00 -0.61 0.00 0.00 39.78 34.79 1j4v n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1j4v s SER 11 N -3.10 6.61 0.01 6.41 0.01 -1.26 -4.42 113.70 117.96 1j4v s SER 11 Ca 0.49 1.89 -0.24 0.00 1.31 0.00 0.00 55.95 59.40 1j4v s SER 11 Cb -0.22 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.51 1j4v s SER 11 CO 0.61 -0.60 0.55 0.00 0.41 0.00 0.00 173.24 174.21 1j4v s ALA 12 N -1.96 -1.41 -0.09 1.44 0.00 -0.06 -4.99 121.76 114.69 1j4v s ALA 12 Ca 0.64 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1j4v s ALA 12 Cb -0.16 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1j4v s ALA 12 CO 0.20 -0.44 -0.20 0.42 0.00 0.00 0.00 175.76 175.73 1j4v s ILE 13 N -1.97 1.75 -0.16 0.00 1.01 -1.26 -1.10 121.20 119.47 1j4v s ILE 13 Ca -0.08 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1j4v s ILE 13 Cb -0.01 -1.53 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1j4v s ILE 13 CO 0.02 0.49 0.01 -1.58 0.00 0.00 0.00 174.94 173.88 1j4v s GLN 14 N 0.45 0.79 7.79 2.79 2.00 -0.47 -4.99 119.66 128.02 1j4v s GLN 14 Ca -0.17 -0.31 0.00 0.00 -2.00 0.00 0.00 55.36 52.87 1j4v s GLN 14 Cb -0.17 -1.81 0.00 0.00 0.80 0.00 0.00 33.01 31.82 1j4v s GLN 14 CO 0.07 -0.52 0.00 0.41 -0.50 0.00 0.00 175.29 174.75 1j4v n GLY 15 N 5.04 3.59 0.72 2.59 0.00 -1.26 -1.20 105.19 114.67 1j4v n GLY 15 Ca -0.09 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1j4v n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j4v n SER 16 N 9.25 2.63 -4.70 1.61 3.41 -1.26 -4.98 113.62 119.59 1j4v n SER 16 Ca 0.00 -1.77 -0.36 0.00 -0.26 0.00 0.00 58.87 56.49 1j4v n SER 16 Cb 0.00 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 1j4v n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1j4v s VAL 17 N -1.23 5.38 -0.19 -3.33 1.01 -0.34 -0.66 120.40 121.03 1j4v s VAL 17 Ca 0.23 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 1j4v s VAL 17 Cb 0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1j4v s VAL 17 CO 0.21 0.39 0.12 -0.22 0.00 0.00 0.00 175.10 175.60 1j4v s LEU 18 N 0.69 4.16 -0.01 3.92 2.96 -0.39 -1.37 118.68 128.65 1j4v s LEU 18 Ca 0.09 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 1j4v s LEU 18 Cb -0.12 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1j4v s LEU 18 CO 0.01 0.20 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.17 1j4v s THR 19 N 0.24 1.47 0.10 3.68 2.01 -0.26 -0.84 115.64 122.04 1j4v s THR 19 Ca 0.08 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 1j4v s THR 19 Cb -0.11 -1.23 0.06 0.00 0.01 0.00 0.00 72.50 71.23 1j4v s THR 19 CO -0.01 0.39 0.53 -0.55 -0.69 0.00 0.00 174.62 174.29 1j4v s SER 20 N -0.50 -0.45 -0.29 3.53 0.15 -0.69 -0.88 113.70 114.57 1j4v s SER 20 Ca 0.07 0.04 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 1j4v s SER 20 Cb -0.07 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1j4v s SER 20 CO -0.01 -0.83 0.10 -0.89 1.20 0.00 0.00 173.24 172.81 1j4v s THR 21 N -3.12 4.22 0.15 6.45 2.01 -0.61 -1.72 115.64 123.01 1j4v s THR 21 Ca -0.02 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 61.58 1j4v s THR 21 Cb -0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1j4v s THR 21 CO -0.07 0.13 -0.23 0.00 -0.69 0.00 0.00 174.62 173.76 1j4v s GLU 23 N -2.30 4.52 0.41 0.00 2.02 -0.36 -1.30 118.70 121.69 1j4v s GLU 23 Ca 0.18 1.88 0.00 0.00 0.02 0.00 0.00 54.97 57.04 1j4v s GLU 23 Cb -0.09 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1j4v s GLU 23 CO 0.09 -0.02 0.63 1.03 0.02 0.00 0.00 175.26 177.01 1j4v s ARG 24 N -0.62 3.26 0.08 1.61 0.52 -0.37 -4.93 118.95 118.50 1j4v s ARG 24 Ca 0.50 -0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 55.07 1j4v s ARG 24 Cb -0.33 -2.59 -0.16 0.00 0.52 0.00 0.00 34.95 32.39 1j4v s ARG 24 CO 0.39 -0.10 1.70 1.15 0.02 0.00 0.00 175.30 178.45 1j4v h THR 25 N 0.52 0.75 0.00 0.02 2.02 -1.96 -2.32 112.91 111.95 1j4v h THR 25 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1j4v h THR 25 Cb 1.24 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1j4v h THR 25 CO 0.59 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.28 1j4v n ASN 26 N -5.23 0.06 0.00 4.18 5.15 -1.26 -4.95 115.26 113.21 1j4v n ASN 26 Ca -0.09 -1.30 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 1j4v n ASN 26 Cb 0.16 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 1j4v n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j4v n GLY 27 N 0.15 0.05 0.00 8.20 0.00 -0.87 -5.10 105.19 107.61 1j4v n GLY 27 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1j4v n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4v n GLY 28 N 0.21 -0.81 3.29 -0.02 0.00 -1.26 -4.33 105.19 102.27 1j4v n GLY 28 Ca 0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 1j4v n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j4v s TYR 29 N -1.39 1.41 -0.09 1.61 1.51 -1.26 -1.24 117.35 117.90 1j4v s TYR 29 Ca 0.00 -1.04 -0.08 0.00 -1.01 0.00 0.00 57.07 54.94 1j4v s TYR 29 Cb 0.00 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 1j4v s TYR 29 CO 0.00 -0.20 0.24 1.21 -1.11 0.00 0.00 175.55 175.68 1j4v s ASN 30 N -3.25 -0.25 -0.15 2.29 2.47 -0.42 -4.90 114.94 110.72 1j4v s ASN 30 Ca 0.29 0.48 -0.07 0.00 0.42 0.00 0.00 52.86 53.99 1j4v s ASN 30 Cb 0.07 0.47 -0.04 0.00 -1.45 0.00 0.00 41.25 40.29 1j4v s ASN 30 CO 0.08 -0.09 0.08 -0.89 -3.72 0.00 0.00 177.10 172.56 1j4v s THR 31 N 0.27 4.94 0.20 -5.21 2.01 -1.26 -0.55 115.64 116.05 1j4v s THR 31 Ca -0.01 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 1j4v s THR 31 Cb -0.03 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1j4v s THR 31 CO -0.01 0.52 0.29 -0.94 -0.69 0.00 0.00 174.62 173.79 1j4v s SER 32 N -0.15 0.04 0.14 3.53 1.04 -0.70 -5.00 113.70 112.60 1j4v s SER 32 Ca 0.08 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 55.51 1j4v s SER 32 Cb -0.12 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1j4v s SER 32 CO 0.01 -0.95 -0.10 -0.44 0.98 0.00 0.00 173.24 172.74 1j4v s SER 33 N -3.04 1.70 -0.12 7.02 0.01 -1.26 -1.70 113.70 116.31 1j4v s SER 33 Ca 0.25 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.45 1j4v s SER 33 Cb 0.03 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1j4v s SER 33 CO 0.06 -0.34 0.28 -0.51 0.41 0.00 0.00 173.24 173.14 1j4v s ILE 34 N -3.31 -0.06 -0.39 1.44 2.07 -0.02 -4.98 121.20 115.95 1j4v s ILE 34 Ca 0.15 0.14 -0.24 0.00 -1.41 0.00 0.00 60.65 59.30 1j4v s ILE 34 Cb 0.03 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.20 1j4v s ILE 34 CO -0.00 0.06 0.82 -0.62 -1.91 0.00 0.00 174.94 173.29 1j4v s ASP 35 N 1.35 6.53 0.00 4.50 -1.08 -1.26 -1.26 116.67 125.45 1j4v s ASP 35 Ca -0.09 0.26 0.29 0.00 -0.52 0.00 0.00 52.55 52.49 1j4v s ASP 35 Cb -0.10 -2.41 1.41 0.00 -1.46 0.00 0.00 42.92 40.36 1j4v s ASP 35 CO -0.09 -0.83 1.98 0.18 0.52 0.00 0.00 175.17 176.93 1j4v n LEU 36 N 6.62 0.00 -0.16 -1.34 4.77 0.17 -3.99 117.00 123.07 1j4v n LEU 36 Ca 0.04 0.32 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 1j4v n LEU 36 Cb 0.48 -0.32 0.49 0.00 -2.33 0.00 0.00 43.42 41.74 1j4v n LEU 36 CO 0.57 -0.02 1.21 0.78 -1.33 0.00 0.00 177.39 178.60 1j4v h ASN 37 N 0.00 0.42 0.13 -1.43 2.35 -1.85 -1.37 115.58 113.82 1j4v h ASN 37 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1j4v h ASN 37 Cb 0.30 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1j4v h ASN 37 CO 0.00 0.23 -0.13 -1.54 -1.65 0.00 0.00 177.43 174.34 1j4v n SER 38 N -4.48 1.18 0.00 5.81 3.41 -1.26 -4.19 113.62 114.09 1j4v n SER 38 Ca 0.13 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1j4v n SER 38 Cb 0.48 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1j4v n SER 38 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1j4v n VAL 39 N -0.31 0.00 -4.78 -3.33 0.24 -0.75 -4.16 118.33 105.24 1j4v n VAL 39 Ca 0.16 -0.43 -0.25 0.00 -2.04 0.00 0.00 64.34 61.77 1j4v n VAL 39 Cb 0.34 1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 33.57 1j4v n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1j4v s ILE 40 N -0.80 1.50 0.06 1.34 1.01 -0.59 0.29 121.20 124.00 1j4v s ILE 40 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1j4v s ILE 40 Cb 0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1j4v s ILE 40 CO 0.00 0.32 -0.05 -1.83 0.00 0.00 0.00 174.94 173.39 1j4v s GLU 41 N -0.71 0.59 -0.41 2.79 -1.05 0.15 -4.74 118.70 115.32 1j4v s GLU 41 Ca 0.07 -1.05 -0.19 0.00 -0.15 0.00 0.00 54.97 53.65 1j4v s GLU 41 Cb -0.08 0.01 0.02 0.00 -0.44 0.00 0.00 34.13 33.64 1j4v s GLU 41 CO 0.00 -0.05 0.54 1.21 0.95 0.00 0.00 175.26 177.91 1j4v s ASN 42 N -2.45 6.27 -0.41 0.83 2.47 -1.26 -0.47 114.94 119.92 1j4v s ASN 42 Ca 0.01 -0.40 -0.05 0.00 0.42 0.00 0.00 52.86 52.84 1j4v s ASN 42 Cb 0.01 -2.27 0.10 0.00 -1.45 0.00 0.00 41.25 37.64 1j4v s ASN 42 CO -0.05 -0.64 0.23 -0.69 -3.72 0.00 0.00 177.10 172.23 1j4v s VAL 43 N 2.47 3.61 -1.48 -5.21 1.01 -0.04 -4.69 120.40 116.07 1j4v s VAL 43 Ca 0.18 -1.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.23 1j4v s VAL 43 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1j4v s VAL 43 CO 0.16 -0.63 0.80 -0.67 0.00 0.00 0.00 175.10 174.75 1j4v n ASP 44 N 4.72 -2.98 0.00 3.32 2.03 -1.26 -1.89 116.55 120.49 1j4v n ASP 44 Ca -0.06 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.40 1j4v n ASP 44 Cb 0.42 -3.66 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 1j4v n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j4v n GLY 45 N -1.67 0.92 3.28 0.27 0.00 -1.26 -5.05 105.19 101.69 1j4v n GLY 45 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1j4v n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j4v s SER 46 N -3.00 3.40 -0.02 1.61 0.15 -0.79 -5.10 113.70 109.95 1j4v s SER 46 Ca 0.00 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 55.87 1j4v s SER 46 Cb 0.00 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.85 1j4v s SER 46 CO 0.00 0.17 1.20 -0.76 1.20 0.00 0.00 173.24 175.05 1j4v s LEU 47 N 0.29 4.30 0.12 3.45 1.43 -1.26 -0.86 118.68 126.15 1j4v s LEU 47 Ca -0.15 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.87 1j4v s LEU 47 Cb -0.17 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1j4v s LEU 47 CO 0.07 -0.55 -0.13 -0.54 0.23 0.00 0.00 176.35 175.43 1j4v s LYS 48 N 1.92 1.01 0.59 1.70 -0.14 0.38 -4.96 119.74 120.23 1j4v s LYS 48 Ca 0.57 -1.26 -0.18 0.00 -1.36 0.00 0.00 55.97 53.74 1j4v s LYS 48 Cb -0.26 -0.82 -0.04 0.00 -1.68 0.00 0.00 37.83 35.03 1j4v s LYS 48 CO 0.24 0.15 1.12 -1.58 -0.76 0.00 0.00 175.35 174.52 1j4v s TRP 49 N -2.33 2.67 0.12 3.18 0.52 -1.26 -0.68 118.94 121.15 1j4v s TRP 49 Ca 0.09 1.55 0.03 0.00 0.02 0.00 0.00 56.10 57.79 1j4v s TRP 49 Cb -0.04 -3.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1j4v s TRP 49 CO 0.02 -1.59 -0.09 -1.14 0.02 0.00 0.00 176.95 174.17 1j4v s GLN 50 N -3.60 0.94 0.86 4.98 0.74 0.83 -4.68 119.66 119.72 1j4v s GLN 50 Ca 0.70 -1.35 -0.12 0.00 0.05 0.00 0.00 55.36 54.65 1j4v s GLN 50 Cb -0.22 -0.47 0.19 0.00 1.10 0.00 0.00 33.01 33.61 1j4v s GLN 50 CO 0.32 0.05 0.43 -0.35 -0.55 0.00 0.00 175.29 175.19 1j4v n PRO 51 N 0.03 -2.07 -1.84 1.67 -0.04 -1.26 -4.63 135.00 126.86 1j4v n PRO 51 Ca -0.12 -0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 62.32 1j4v n PRO 51 Cb 0.60 -1.19 0.21 0.00 -0.04 0.00 0.00 33.50 33.08 1j4v n PRO 51 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j4v n SER 52 N -2.61 -0.13 -2.80 3.54 3.41 -1.26 -4.14 113.62 109.63 1j4v n SER 52 Ca 0.07 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 1j4v n SER 52 Cb 0.30 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1j4v n SER 52 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1j4v n ASN 53 N -3.98 -0.38 -0.04 4.04 6.94 -1.26 -4.85 115.26 115.74 1j4v n ASN 53 Ca 0.17 -0.36 -0.04 0.00 -0.02 0.00 0.00 54.58 54.33 1j4v n ASN 53 Cb 0.59 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.96 1j4v n ASN 53 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1j4v n PHE 54 N -1.44 0.00 0.69 -2.53 1.16 -1.26 -4.51 117.46 109.57 1j4v n PHE 54 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.68 1j4v n PHE 54 Cb 0.00 -0.34 0.45 0.00 -1.61 0.00 0.00 39.48 37.98 1j4v n PHE 54 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 1j4v n ILE 55 N -2.38 0.58 0.08 1.97 -5.35 -1.26 -1.24 119.36 111.77 1j4v n ILE 55 Ca -0.12 0.12 -0.03 0.00 -0.27 0.00 0.00 62.75 62.44 1j4v n ILE 55 Cb 0.71 -0.80 -0.06 0.00 -1.74 0.00 0.00 39.64 37.75 1j4v n ILE 55 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1j4v h GLU 56 N 0.00 0.00 -0.04 6.28 4.57 -1.98 -3.35 114.58 120.07 1j4v h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j4v h GLU 56 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1j4v h GLU 56 CO 0.00 0.74 0.00 0.25 -1.18 0.00 0.00 179.01 178.82 1j4v n THR 57 N -3.26 0.28 -4.26 0.32 -2.24 -1.11 -5.01 114.28 98.99 1j4v n THR 57 Ca -0.01 -0.64 -0.21 0.00 -2.27 0.00 0.00 64.05 60.92 1j4v n THR 57 Cb 0.86 0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 69.89 1j4v n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4v s ARG 59 N -2.17 1.37 -1.30 0.00 1.70 0.42 -4.63 118.95 114.34 1j4v s ARG 59 Ca 0.07 -1.74 -0.06 0.00 -0.47 0.00 0.00 55.73 53.53 1j4v s ARG 59 Cb -0.08 -0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 34.26 1j4v s ARG 59 CO 0.04 -0.36 0.61 -1.71 -1.08 0.00 0.00 175.30 172.79 1j4v n ASN 60 N -0.49 -1.97 -4.75 -2.89 5.15 -1.26 -1.64 115.26 107.40 1j4v n ASN 60 Ca 0.01 -0.95 -0.41 0.00 -0.60 0.00 0.00 54.58 52.63 1j4v n ASN 60 Cb 0.66 -3.47 -0.04 0.00 -0.53 0.00 0.00 39.78 36.40 1j4v n ASN 60 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1j4v s THR 61 N -3.74 3.47 0.04 -0.44 -4.23 -1.26 -4.30 115.64 105.19 1j4v s THR 61 Ca 0.13 1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 61.92 1j4v s THR 61 Cb -0.05 -3.88 0.01 0.00 1.34 0.00 0.00 72.50 69.92 1j4v s THR 61 CO 0.86 0.29 0.25 -1.10 -0.54 0.00 0.00 174.62 174.38 1j4v s GLN 62 N -1.06 0.76 -0.37 3.99 -0.21 0.47 -4.98 119.66 118.25 1j4v s GLN 62 Ca 0.47 -0.57 -0.19 0.00 0.02 0.00 0.00 55.36 55.10 1j4v s GLN 62 Cb -0.33 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.01 1j4v s GLN 62 CO 0.40 -0.23 0.53 -1.17 -2.12 0.00 0.00 175.29 172.70 1j4v s LEU 63 N -2.09 4.40 -0.28 2.90 2.96 -1.26 -0.50 118.68 124.81 1j4v s LEU 63 Ca -0.05 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 1j4v s LEU 63 Cb -0.01 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1j4v s LEU 63 CO -0.04 -0.54 0.24 0.00 -1.32 0.00 0.00 176.35 174.70 1j4v s ALA 64 N 2.45 3.54 0.00 5.97 0.00 0.21 -4.92 121.76 129.00 1j4v s ALA 64 Ca 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1j4v s ALA 64 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1j4v s ALA 64 CO 0.14 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1j4v n GLY 65 N 4.96 1.10 0.00 0.00 0.00 -1.26 -1.92 105.19 108.07 1j4v n GLY 65 Ca -0.12 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.21 1j4v n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j4v n SER 66 N 3.12 0.82 0.00 1.61 3.41 -1.26 -4.75 113.62 116.58 1j4v n SER 66 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1j4v n SER 66 Cb 0.00 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 1j4v n SER 66 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1j4v n SER 67 N -1.59 0.00 -4.70 4.04 3.41 -1.25 -5.04 113.62 108.49 1j4v n SER 67 Ca 0.02 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.25 1j4v n SER 67 Cb 0.34 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 1j4v n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1j4v s GLU 68 N 0.00 4.26 -0.27 4.33 2.56 -0.81 -0.20 118.70 128.57 1j4v s GLU 68 Ca 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 54.97 55.15 1j4v s GLU 68 Cb 0.00 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 1j4v s GLU 68 CO 0.00 0.06 0.38 -1.17 -0.56 0.00 0.00 175.26 173.97 1j4v s LEU 69 N 0.97 4.04 0.10 2.70 2.96 0.05 0.65 118.68 130.14 1j4v s LEU 69 Ca 0.23 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1j4v s LEU 69 Cb -0.15 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1j4v s LEU 69 CO 0.09 -0.19 -0.17 0.00 -1.32 0.00 0.00 176.35 174.76 1j4v s ALA 70 N 2.07 2.70 0.13 5.97 0.00 0.34 -1.13 121.76 131.84 1j4v s ALA 70 Ca 0.15 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.56 1j4v s ALA 70 Cb -0.16 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.33 1j4v s ALA 70 CO 0.10 0.59 1.02 0.00 0.00 0.00 0.00 175.76 177.48 1j4v s ALA 71 N -1.10 -1.75 -0.26 0.00 0.00 -0.70 -0.40 121.76 117.55 1j4v s ALA 71 Ca 0.18 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 1j4v s ALA 71 Cb -0.11 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1j4v s ALA 71 CO 0.09 -1.05 0.01 -1.21 0.00 0.00 0.00 175.76 173.60 1j4v s GLU 72 N -3.07 3.09 0.10 0.00 2.02 -0.65 -1.49 118.70 118.70 1j4v s GLU 72 Ca 0.13 -0.83 0.10 0.00 0.02 0.00 0.00 54.97 54.39 1j4v s GLU 72 Cb -0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1j4v s GLU 72 CO 0.01 -0.37 -0.23 0.00 0.02 0.00 0.00 175.26 174.69 1j4v s LYS 74 N -1.86 4.70 0.78 0.00 1.02 -0.27 -1.10 119.74 123.01 1j4v s LYS 74 Ca 0.15 1.65 -0.04 0.00 0.02 0.00 0.00 55.97 57.75 1j4v s LYS 74 Cb -0.10 -3.26 0.15 0.00 -0.52 0.00 0.00 37.83 34.10 1j4v s LYS 74 CO 0.06 0.26 1.08 0.95 -0.92 0.00 0.00 175.35 176.78 1j4v s THR 75 N -0.76 2.07 0.50 2.17 -4.23 0.36 -4.88 115.64 110.87 1j4v s THR 75 Ca 0.45 -0.47 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 1j4v s THR 75 Cb -0.28 -2.60 0.25 0.00 1.34 0.00 0.00 72.50 71.21 1j4v s THR 75 CO 0.35 0.00 2.10 0.03 -0.54 0.00 0.00 174.62 176.57 1j4v h ARG 76 N -0.80 0.00 -0.00 3.99 2.47 -1.97 0.04 114.38 118.10 1j4v h ARG 76 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1j4v h ARG 76 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1j4v h ARG 76 CO 0.38 0.07 0.00 0.00 0.56 0.00 0.00 179.97 180.98 1j4v n ALA 77 N -2.49 2.58 -1.93 0.04 0.00 -1.26 -4.89 120.51 112.56 1j4v n ALA 77 Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1j4v n ALA 77 Cb 0.15 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1j4v n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j4v n GLN 78 N -0.68 -0.91 -4.70 0.00 1.13 0.00 -5.03 117.38 107.20 1j4v n GLN 78 Ca 0.10 0.69 -0.31 0.00 -1.94 0.00 0.00 57.00 55.54 1j4v n GLN 78 Cb 0.05 -4.80 -0.12 0.00 0.11 0.00 0.00 30.24 25.48 1j4v n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1j4v s GLN 79 N -4.06 2.26 0.03 -1.09 -0.21 -1.26 -4.81 119.66 110.52 1j4v s GLN 79 Ca 0.00 -0.87 -0.25 0.00 0.02 0.00 0.00 55.36 54.26 1j4v s GLN 79 Cb 0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1j4v s GLN 79 CO 0.00 0.57 0.77 -0.06 -2.12 0.00 0.00 175.29 174.45 1j4v s PHE 80 N -0.88 3.71 0.13 0.91 0.40 -1.26 -0.48 117.98 120.50 1j4v s PHE 80 Ca 0.14 1.46 0.04 0.00 -0.60 0.00 0.00 56.93 57.97 1j4v s PHE 80 Cb -0.11 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 1j4v s PHE 80 CO 0.04 0.23 -0.10 0.14 0.70 0.00 0.00 175.22 176.23 1j4v s VAL 81 N 0.14 1.10 0.14 -0.44 -7.23 -0.25 -4.91 120.40 108.95 1j4v s VAL 81 Ca 0.39 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.33 1j4v s VAL 81 Cb -0.20 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 1j4v s VAL 81 CO 0.23 -0.70 0.87 -0.55 -0.31 0.00 0.00 175.10 174.64 1j4v s SER 82 N -2.99 7.45 0.10 4.85 0.15 -1.26 -1.05 113.70 120.95 1j4v s SER 82 Ca 0.14 1.73 -0.12 0.00 0.70 0.00 0.00 55.95 58.40 1j4v s SER 82 Cb 0.01 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1j4v s SER 82 CO 0.00 0.07 0.27 0.28 1.20 0.00 0.00 173.24 175.06 1j4v s THR 83 N -0.57 0.11 0.13 6.45 -1.32 -0.55 -4.94 115.64 114.95 1j4v s THR 83 Ca 0.41 -0.94 -0.17 0.00 -1.21 0.00 0.00 61.69 59.78 1j4v s THR 83 Cb -0.23 -1.27 0.04 0.00 -1.51 0.00 0.00 72.50 69.52 1j4v s THR 83 CO 0.28 -0.52 0.43 -1.59 -2.21 0.00 0.00 174.62 171.01 1j4v s LYS 84 N -3.83 1.11 -0.11 7.08 -2.85 -1.26 -1.72 119.74 118.16 1j4v s LYS 84 Ca 0.04 -0.70 -0.09 0.00 -1.00 0.00 0.00 55.97 54.22 1j4v s LYS 84 Cb 0.04 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 1j4v s LYS 84 CO -0.11 -0.44 0.28 -1.50 0.10 0.00 0.00 175.35 173.68 1j4v s ILE 85 N -3.81 -0.00 -0.49 3.79 2.07 -0.29 -4.98 121.20 117.49 1j4v s ILE 85 Ca 0.03 0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 59.02 1j4v s ILE 85 Cb 0.01 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.23 1j4v s ILE 85 CO -0.11 0.01 1.02 0.21 -1.91 0.00 0.00 174.94 174.16 1j4v s ASN 86 N 0.29 6.52 0.61 4.50 3.84 -1.26 -0.77 114.94 128.67 1j4v s ASN 86 Ca -0.01 0.19 0.39 0.00 0.21 0.00 0.00 52.86 53.64 1j4v s ASN 86 Cb -0.03 -2.49 1.97 0.00 -0.55 0.00 0.00 41.25 40.15 1j4v s ASN 86 CO -0.01 -1.18 2.21 -0.07 -2.79 0.00 0.00 177.10 175.27 1j4v h LEU 87 N 10.96 0.00 -0.47 3.21 3.38 -0.95 -1.38 115.31 130.06 1j4v h LEU 87 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1j4v h LEU 87 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1j4v h LEU 87 CO 1.08 0.01 0.00 0.47 0.09 0.00 0.00 178.44 180.09 1j4v n ASP 88 N -3.15 0.32 -0.27 -0.43 8.00 -1.25 -1.14 116.55 118.61 1j4v n ASP 88 Ca -0.02 0.60 -0.05 0.00 0.71 0.00 0.00 54.79 56.03 1j4v n ASP 88 Cb 0.17 -0.66 0.06 0.00 -0.02 0.00 0.00 41.12 40.67 1j4v n ASP 88 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1j4v h ASP 89 N 0.00 0.97 0.00 -2.24 3.32 -1.62 -3.38 116.42 113.46 1j4v h ASP 89 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1j4v h ASP 89 Cb 0.20 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1j4v h ASP 89 CO 0.00 0.81 0.00 1.41 -1.72 0.00 0.00 179.24 179.74 1j4v n HIS 90 N -4.42 0.00 -3.57 4.55 8.25 -1.09 -5.02 115.22 113.93 1j4v n HIS 90 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 1j4v n HIS 90 Cb 0.12 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.12 1j4v n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1j4v s ILE 91 N -0.10 5.26 0.28 1.59 -1.09 -0.29 -1.16 121.20 125.68 1j4v s ILE 91 Ca 0.00 0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.53 1j4v s ILE 91 Cb 0.00 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 1j4v s ILE 91 CO 0.00 0.15 -0.05 0.00 -1.23 0.00 0.00 174.94 173.81 1j4v s ALA 92 N 1.74 3.07 -0.50 9.38 0.00 -0.09 -4.66 121.76 130.69 1j4v s ALA 92 Ca 0.07 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 1j4v s ALA 92 Cb -0.17 -0.60 0.10 0.00 0.00 0.00 0.00 23.12 22.46 1j4v s ALA 92 CO 0.11 0.24 0.44 1.21 0.00 0.00 0.00 175.76 177.76 1j4v s ASN 93 N -3.64 6.14 -0.58 0.00 2.47 -1.26 -1.18 114.94 116.88 1j4v s ASN 93 Ca 0.32 -1.56 -0.15 0.00 0.42 0.00 0.00 52.86 51.88 1j4v s ASN 93 Cb -0.05 -2.18 0.14 0.00 -1.45 0.00 0.00 41.25 37.71 1j4v s ASN 93 CO 0.19 -0.74 0.53 -0.63 -3.72 0.00 0.00 177.10 172.73 1j4v s ILE 94 N 1.61 5.19 -1.50 -5.21 -1.09 -0.07 -4.59 121.20 115.53 1j4v s ILE 94 Ca 0.04 -1.70 -0.07 0.00 -2.23 0.00 0.00 60.65 56.69 1j4v s ILE 94 Cb -0.27 -4.31 0.06 0.00 -1.58 0.00 0.00 42.46 36.36 1j4v s ILE 94 CO 0.05 -0.89 0.61 -0.67 -1.23 0.00 0.00 174.94 172.80 1j4v n ASP 95 N 4.99 -1.75 0.00 3.58 2.03 -1.26 -1.91 116.55 122.23 1j4v n ASP 95 Ca -0.09 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.25 1j4v n ASP 95 Cb 0.41 -3.13 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 1j4v n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j4v n GLY 96 N -1.76 0.73 3.23 0.27 0.00 -1.26 -5.06 105.19 101.33 1j4v n GLY 96 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1j4v n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4v s THR 97 N -2.49 1.91 0.02 2.61 2.01 -0.80 -5.10 115.64 113.79 1j4v s THR 97 Ca 0.00 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 1j4v s THR 97 Cb 0.00 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1j4v s THR 97 CO 0.00 0.53 1.27 -0.76 -0.69 0.00 0.00 174.62 174.98 1j4v s LEU 98 N -0.01 4.33 -0.02 4.42 1.43 -1.26 -0.89 118.68 126.68 1j4v s LEU 98 Ca -0.07 2.02 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1j4v s LEU 98 Cb -0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1j4v s LEU 98 CO 0.04 -0.59 0.06 -0.54 0.23 0.00 0.00 176.35 175.56 1j4v s LYS 99 N 1.73 0.15 0.27 1.70 1.02 -0.33 -4.96 119.74 119.33 1j4v s LYS 99 Ca 0.60 -0.06 -0.23 0.00 0.02 0.00 0.00 55.97 56.30 1j4v s LYS 99 Cb -0.29 0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 36.99 1j4v s LYS 99 CO 0.27 -0.03 0.84 -0.47 -0.92 0.00 0.00 175.35 175.04 1j4v s TYR 100 N -0.33 3.67 0.00 3.18 5.04 -1.26 -0.91 117.35 126.74 1j4v s TYR 100 Ca -0.04 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1j4v s TYR 100 Cb -0.03 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.51 1j4v s TYR 100 CO 0.00 0.27 0.00 -0.85 -1.34 0.00 0.00 175.55 173.64