#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x s GLY 2 N 0.00 -0.30 0.00 3.03 0.00 -1.26 -5.06 107.32 103.73 1j3x s GLY 2 Ca 0.00 2.64 0.00 0.00 0.00 0.00 0.00 44.72 47.36 1j3x s GLY 2 CO 0.00 2.19 0.00 1.17 0.00 0.00 0.00 173.10 176.46 1j3x n LYS 3 N 3.28 0.00 0.10 2.90 0.00 -1.26 -4.94 118.16 118.24 1j3x n LYS 3 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 57.92 1j3x n LYS 3 Cb 0.57 -0.07 -0.15 0.00 0.00 0.00 0.00 35.03 35.38 1j3x n LYS 3 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1j3x h GLY 4 N 0.00 0.50 -2.71 3.14 0.00 -1.92 -3.48 103.07 98.60 1j3x h GLY 4 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 47.33 46.01 1j3x h GLY 4 CO 0.00 1.11 -0.11 0.99 0.00 0.00 0.00 176.54 178.53 1j3x s ASP 5 N -7.32 -0.14 0.06 0.19 1.01 -1.26 -4.98 116.67 104.22 1j3x s ASP 5 Ca -0.12 -0.61 -0.17 0.00 0.71 0.00 0.00 52.55 52.36 1j3x s ASP 5 Cb 0.03 0.51 -0.17 0.00 1.01 0.00 0.00 42.92 44.30 1j3x s ASP 5 CO 0.89 -0.97 1.25 1.55 0.21 0.00 0.00 175.17 178.09 1j3x h PRO 6 N 2.35 0.58 0.00 8.23 0.13 -1.94 -3.42 132.00 137.93 1j3x h PRO 6 Ca -0.30 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1j3x h PRO 6 Cb 1.25 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1j3x h PRO 6 CO 0.42 1.09 -0.77 0.09 -0.23 0.00 0.00 178.00 178.60 1j3x n ASN 7 N -4.18 2.93 -4.73 1.44 3.02 -1.26 -5.02 115.26 107.45 1j3x n ASN 7 Ca -0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.16 1j3x n ASN 7 Cb 0.62 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.91 1j3x n ASN 7 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3x s LYS 8 N -1.78 1.83 0.00 3.52 1.02 -1.26 -5.03 119.74 118.04 1j3x s LYS 8 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.37 1j3x s LYS 8 Cb 0.00 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1j3x s LYS 8 CO 0.00 -1.99 0.00 -0.35 -0.92 0.00 0.00 175.35 172.09 1j3x n PRO 9 N -3.62 -0.17 -0.14 -1.68 -0.04 -1.26 -4.19 135.00 123.91 1j3x n PRO 9 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1j3x n PRO 9 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1j3x n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j3x n ARG 10 N -0.92 0.62 -3.93 0.54 1.74 -1.26 -4.30 116.66 109.16 1j3x n ARG 10 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1j3x n ARG 10 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 1j3x n ARG 10 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1j3x s GLY 11 N -2.18 0.15 0.13 -0.13 0.00 -1.26 -5.04 107.32 98.99 1j3x s GLY 11 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.72 1j3x s GLY 11 CO 0.00 0.31 0.41 0.54 0.00 0.00 0.00 173.10 174.36 1j3x s LYS 12 N 0.54 3.71 0.00 2.90 3.01 -1.26 -5.04 119.74 123.60 1j3x s LYS 12 Ca -0.05 0.08 0.00 0.00 -1.01 0.00 0.00 55.97 54.99 1j3x s LYS 12 Cb -0.08 -2.89 0.00 0.00 -1.01 0.00 0.00 37.83 33.86 1j3x s LYS 12 CO -0.01 0.49 0.00 -1.33 0.51 0.00 0.00 175.35 175.01 1j3x n MET 13 N 0.42 0.00 -2.91 1.68 2.81 -1.26 -5.06 117.12 112.80 1j3x n MET 13 Ca -0.04 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.83 1j3x n MET 13 Cb 0.52 -0.13 0.01 0.00 -0.71 0.00 0.00 33.22 32.91 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x n SER 14 N -1.81 -0.99 0.17 7.83 2.88 -1.26 -4.99 113.62 115.45 1j3x n SER 14 Ca 0.00 -1.49 0.03 0.00 -1.33 0.00 0.00 58.87 56.08 1j3x n SER 14 Cb 0.00 1.61 0.30 0.00 -0.75 0.00 0.00 64.21 65.37 1j3x n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1j3x h SER 15 N 1.17 0.00 0.84 -3.46 4.64 -1.92 -2.88 113.55 111.95 1j3x h SER 15 Ca -0.16 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.02 1j3x h SER 15 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1j3x h SER 15 CO 0.21 0.45 -0.70 0.22 -0.87 0.00 0.00 176.83 176.14 1j3x h TYR 16 N 0.00 0.00 -0.20 4.77 3.20 -1.95 -2.69 116.97 120.10 1j3x h TYR 16 Ca -0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 1j3x h TYR 16 Cb 0.88 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.16 1j3x h TYR 16 CO 0.00 0.70 -0.68 0.00 -1.64 0.00 0.00 178.16 176.54 1j3x h ALA 17 N 1.30 0.36 0.00 1.82 0.00 -1.90 -3.10 119.26 117.74 1j3x h ALA 17 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1j3x h ALA 17 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1j3x h ALA 17 CO 0.09 0.66 -0.48 0.74 0.00 0.00 0.00 179.25 180.26 1j3x h PHE 18 N 0.57 0.00 0.08 0.00 0.04 -1.53 -2.63 116.94 113.47 1j3x h PHE 18 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1j3x h PHE 18 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1j3x h PHE 18 CO 0.08 0.48 -0.04 0.35 -0.60 0.00 0.00 178.31 178.59 1j3x h PHE 19 N 0.00 -0.10 -0.03 -0.55 3.57 -1.40 0.98 116.94 119.40 1j3x h PHE 19 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1j3x h PHE 19 Cb 0.91 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1j3x h PHE 19 CO 0.00 -0.02 -0.44 0.28 -2.23 0.00 0.00 178.31 175.90 1j3x h VAL 20 N -0.16 1.32 -0.31 1.41 2.07 -1.53 0.62 116.25 119.68 1j3x h VAL 20 Ca -0.01 -1.54 -0.15 0.00 0.82 0.00 0.00 66.70 65.83 1j3x h VAL 20 Cb 0.13 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1j3x h VAL 20 CO 0.02 0.44 -0.38 -0.61 0.02 0.00 0.00 177.57 177.07 1j3x h GLN 21 N 0.05 0.80 0.00 1.57 -0.00 -1.09 -1.73 115.11 114.71 1j3x h GLN 21 Ca 0.00 -0.45 -0.17 0.00 -0.00 0.00 0.00 58.65 58.04 1j3x h GLN 21 Cb 0.80 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.29 1j3x h GLN 21 CO 0.06 1.08 -0.81 1.15 0.00 0.00 0.00 178.83 180.31 1j3x h THR 22 N 0.57 1.32 0.00 2.39 2.02 -0.69 -3.25 112.91 115.26 1j3x h THR 22 Ca 0.04 -2.87 -0.11 0.00 0.77 0.00 0.00 66.41 64.24 1j3x h THR 22 Cb 0.96 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 1j3x h THR 22 CO 0.09 0.75 -0.50 0.28 0.37 0.00 0.00 175.52 176.51 1j3x h SER 23 N 0.00 0.00 -0.18 4.18 0.02 -0.84 -3.13 113.55 113.60 1j3x h SER 23 Ca -0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1j3x h SER 23 Cb 1.61 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 1j3x h SER 23 CO 0.10 0.50 -0.27 -0.09 -1.14 0.00 0.00 176.83 175.93 1j3x h ARG 24 N 0.00 0.51 -0.88 3.45 2.43 -1.34 -2.17 114.38 116.38 1j3x h ARG 24 Ca -0.01 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1j3x h ARG 24 Cb 1.20 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 1j3x h ARG 24 CO 0.07 0.90 0.53 0.93 -1.51 0.00 0.00 179.97 180.89 1j3x h GLU 25 N 0.16 1.19 0.00 0.20 5.08 -1.61 -1.08 114.58 118.53 1j3x h GLU 25 Ca 0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1j3x h GLU 25 Cb 0.85 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1j3x h GLU 25 CO 0.06 0.83 0.00 1.49 -1.00 0.00 0.00 179.01 180.39 1j3x h GLU 26 N 1.21 0.00 -1.00 2.33 4.57 -1.51 -2.92 114.58 117.25 1j3x h GLU 26 Ca 0.32 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 58.05 1j3x h GLU 26 Cb -0.06 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 28.27 1j3x h GLU 26 CO -0.06 0.00 0.56 1.58 -1.18 0.00 0.00 179.01 179.91 1j3x n HIS 27 N -2.92 2.60 0.01 0.92 -0.00 -0.41 -4.32 115.22 111.10 1j3x n HIS 27 Ca 0.01 -1.66 0.00 0.00 0.46 0.00 0.00 57.72 56.53 1j3x n HIS 27 Cb 0.32 -0.85 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 1j3x n HIS 27 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1j3x n LYS 28 N -0.88 0.00 0.27 1.57 4.81 -1.10 -4.18 118.16 118.64 1j3x n LYS 28 Ca 0.51 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.06 1j3x n LYS 28 Cb 1.48 -0.33 0.75 0.00 0.02 0.00 0.00 35.03 36.95 1j3x n LYS 28 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1j3x h LYS 29 N 0.00 0.00 0.00 1.64 1.57 -1.76 -2.84 116.57 115.17 1j3x h LYS 29 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1j3x h LYS 29 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1j3x h LYS 29 CO 0.00 0.06 -1.83 0.36 -0.57 0.00 0.00 179.45 177.47 1j3x n LYS 30 N -4.01 0.87 -3.35 3.15 2.85 -1.26 -4.69 118.16 111.71 1j3x n LYS 30 Ca -0.03 -0.10 -0.29 0.00 -1.05 0.00 0.00 58.31 56.85 1j3x n LYS 30 Cb 0.15 -1.38 -0.07 0.00 -0.65 0.00 0.00 35.03 33.08 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1j3x n HIS 31 N -2.23 3.50 -0.03 5.58 8.25 -1.08 -4.87 115.22 124.33 1j3x n HIS 31 Ca -0.10 -3.95 -0.13 0.00 -0.26 0.00 0.00 57.72 53.27 1j3x n HIS 31 Cb 0.61 -0.65 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 1j3x n HIS 31 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j3x h PRO 32 N 4.29 0.03 -2.45 -0.41 0.13 -1.82 -3.33 132.00 128.45 1j3x h PRO 32 Ca 0.20 -0.02 -0.75 0.00 -0.87 0.00 0.00 66.00 64.56 1j3x h PRO 32 Cb 0.65 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.61 1j3x h PRO 32 CO 0.90 0.68 1.84 -0.25 -0.23 0.00 0.00 178.00 180.94 1j3x n ASP 33 N -4.75 7.74 -3.71 1.44 9.92 -1.26 -4.89 116.55 121.04 1j3x n ASP 33 Ca -0.09 -3.33 -0.11 0.00 -0.53 0.00 0.00 54.79 50.73 1j3x n ASP 33 Cb 0.34 -1.29 -0.11 0.00 -0.64 0.00 0.00 41.12 39.42 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1j3x s SER 34 N -0.18 -0.46 0.31 -2.24 0.01 -1.25 -5.15 113.70 104.74 1j3x s SER 34 Ca 0.50 0.82 -0.25 0.00 1.31 0.00 0.00 55.95 58.33 1j3x s SER 34 Cb 0.21 0.73 -0.10 0.00 0.21 0.00 0.00 66.02 67.07 1j3x s SER 34 CO -0.12 -0.18 0.92 -0.55 0.41 0.00 0.00 173.24 173.72 1j3x s SER 35 N 1.09 7.31 -0.47 2.44 0.15 -1.26 -5.01 113.70 117.95 1j3x s SER 35 Ca -0.07 1.79 0.06 0.00 0.70 0.00 0.00 55.95 58.43 1j3x s SER 35 Cb -0.07 -2.56 0.25 0.00 -1.71 0.00 0.00 66.02 61.93 1j3x s SER 35 CO -0.09 -0.05 0.83 0.55 1.20 0.00 0.00 173.24 175.68 1j3x n VAL 36 N 0.58 -0.13 -0.20 4.45 3.14 -1.26 -5.05 118.33 119.86 1j3x n VAL 36 Ca 0.01 -2.01 -0.26 0.00 -2.96 0.00 0.00 64.34 59.13 1j3x n VAL 36 Cb 0.50 0.84 0.25 0.00 -1.06 0.00 0.00 33.84 34.37 1j3x n VAL 36 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1j3x n ASN 37 N 1.50 -3.82 -0.06 6.55 3.02 -1.26 -4.73 115.26 116.46 1j3x n ASN 37 Ca 0.11 -0.74 -0.16 0.00 -0.03 0.00 0.00 54.58 53.77 1j3x n ASN 37 Cb 0.62 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1j3x h PHE 38 N -3.38 0.99 -0.14 3.10 0.04 -2.01 -2.79 116.94 112.75 1j3x h PHE 38 Ca -0.33 -0.38 -0.14 0.00 2.80 0.00 0.00 57.97 59.92 1j3x h PHE 38 Cb 1.11 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1j3x h PHE 38 CO 0.00 1.19 -0.44 0.00 -0.60 0.00 0.00 178.31 178.46 1j3x h ALA 39 N 0.61 0.25 0.00 2.45 0.00 -1.96 1.34 119.26 121.94 1j3x h ALA 39 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j3x h ALA 39 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1j3x h ALA 39 CO 0.12 0.38 0.00 0.93 0.00 0.00 0.00 179.25 180.68 1j3x h GLU 40 N 0.18 0.00 0.00 0.00 5.08 -1.91 -2.60 114.58 115.33 1j3x h GLU 40 Ca -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1j3x h GLU 40 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1j3x h GLU 40 CO 0.09 0.00 -1.69 0.34 -1.00 0.00 0.00 179.01 176.75 1j3x n PHE 41 N -2.55 0.00 0.23 4.33 7.35 -1.05 -4.35 117.46 121.41 1j3x n PHE 41 Ca -0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.10 -0.45 0.87 0.00 0.35 0.00 0.00 39.48 40.35 1j3x n PHE 41 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1j3x h SER 42 N -0.25 0.00 1.00 -2.13 4.64 0.18 0.26 113.55 117.25 1j3x h SER 42 Ca -0.30 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.82 1j3x h SER 42 Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1j3x h SER 42 CO -0.13 0.00 -1.01 0.11 -0.87 0.00 0.00 176.83 174.93 1j3x h LYS 43 N 0.00 0.00 0.17 4.77 1.57 -1.65 -3.16 116.57 118.27 1j3x h LYS 43 Ca 0.07 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.50 1j3x h LYS 43 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1j3x h LYS 43 CO -0.00 0.94 -1.79 -0.22 -0.57 0.00 0.00 179.45 177.81 1j3x h LYS 44 N 0.00 0.35 0.00 3.15 3.11 -0.97 -3.28 116.57 118.94 1j3x h LYS 44 Ca -0.03 -0.60 -0.01 0.00 -2.81 0.00 0.00 60.65 57.21 1j3x h LYS 44 Cb 1.76 0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 33.22 1j3x h LYS 44 CO 0.12 1.29 -0.03 0.00 -2.81 0.00 0.00 179.45 178.02 1j3x h SER 46 N 0.00 0.46 0.13 0.00 0.02 -1.66 0.11 113.55 112.61 1j3x h SER 46 Ca -0.00 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1j3x h SER 46 Cb 0.06 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1j3x h SER 46 CO 0.00 1.03 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.30 1j3x h GLU 47 N 0.27 0.00 0.05 3.45 4.39 -1.33 -0.51 114.58 120.90 1j3x h GLU 47 Ca -0.03 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.30 1j3x h GLU 47 Cb 1.28 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 1j3x h GLU 47 CO 0.12 0.09 -2.24 -2.13 -1.16 0.00 0.00 179.01 173.69 1j3x n ARG 48 N -4.18 0.69 -0.31 2.33 0.63 -1.13 -4.06 116.66 110.64 1j3x n ARG 48 Ca -0.03 0.22 -0.04 0.00 -0.92 0.00 0.00 57.85 57.08 1j3x n ARG 48 Cb 0.17 -1.60 0.08 0.00 0.45 0.00 0.00 32.46 31.56 1j3x n ARG 48 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 1j3x h TRP 49 N -0.05 1.06 0.00 -0.14 2.91 -0.64 0.86 115.95 119.94 1j3x h TRP 49 Ca -0.51 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.53 1j3x h TRP 49 Cb 1.92 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 30.21 1j3x h TRP 49 CO 0.05 0.68 0.00 0.87 -1.03 0.00 0.00 178.44 179.00 1j3x h LYS 50 N 1.14 0.00 -0.00 2.65 1.57 -1.28 -2.84 116.57 117.80 1j3x h LYS 50 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1j3x h LYS 50 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1j3x h LYS 50 CO -0.06 0.00 -0.01 -2.37 -0.57 0.00 0.00 179.45 176.44 1j3x n THR 51 N -2.59 0.00 -0.58 -0.16 5.66 -0.39 -5.05 114.28 111.16 1j3x n THR 51 Ca 0.00 -0.50 -0.30 0.00 -3.05 0.00 0.00 64.05 60.21 1j3x n THR 51 Cb 0.18 1.03 0.21 0.00 -1.55 0.00 0.00 70.33 70.20 1j3x n THR 51 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1j3x n MET 52 N -0.04 -1.52 -2.61 1.09 2.81 0.28 -5.01 117.12 112.13 1j3x n MET 52 Ca 0.01 -0.40 -0.24 0.00 -1.81 0.00 0.00 57.70 55.26 1j3x n MET 52 Cb 0.04 -2.22 0.03 0.00 -0.71 0.00 0.00 33.22 30.36 1j3x n MET 52 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1j3x s SER 53 N -2.45 5.50 0.53 7.83 1.04 -1.26 -4.86 113.70 120.03 1j3x s SER 53 Ca 0.67 0.40 0.30 0.00 0.48 0.00 0.00 55.95 57.79 1j3x s SER 53 Cb -0.24 -1.40 1.49 0.00 0.10 0.00 0.00 66.02 65.97 1j3x s SER 53 CO 0.62 -1.03 2.07 0.00 0.98 0.00 0.00 173.24 175.88 1j3x h ALA 54 N 0.00 1.18 -0.01 5.32 0.00 -1.96 0.17 119.26 123.96 1j3x h ALA 54 Ca -0.45 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1j3x h ALA 54 Cb 1.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1j3x h ALA 54 CO 0.58 0.13 -0.69 0.87 0.00 0.00 0.00 179.25 180.14 1j3x h LYS 55 N 0.00 0.03 0.03 0.00 1.57 -1.99 -1.62 116.57 114.59 1j3x h LYS 55 Ca -0.00 -0.03 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 1j3x h LYS 55 Cb 0.37 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1j3x h LYS 55 CO 0.01 0.71 -2.11 0.39 -0.57 0.00 0.00 179.45 177.88 1j3x n GLU 56 N -3.74 0.68 0.19 3.15 1.02 -0.88 -4.17 120.64 116.89 1j3x n GLU 56 Ca -0.01 0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.37 1j3x n GLU 56 Cb 0.67 -1.65 0.31 0.00 -0.02 0.00 0.00 31.44 30.75 1j3x n GLU 56 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j3x h LYS 57 N 0.02 0.00 -0.05 3.49 1.57 -0.74 -3.06 116.57 117.80 1j3x h LYS 57 Ca -0.44 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 1j3x h LYS 57 Cb 2.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.36 1j3x h LYS 57 CO 0.04 0.35 -0.46 0.66 -0.57 0.00 0.00 179.45 179.46 1j3x h SER 58 N 0.00 0.12 0.03 0.86 4.64 -1.45 -0.86 113.55 116.88 1j3x h SER 58 Ca -0.00 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1j3x h SER 58 Cb 0.95 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1j3x h SER 58 CO 0.04 0.56 -0.14 0.50 -0.87 0.00 0.00 176.83 176.93 1j3x h LYS 59 N 0.09 0.24 0.00 4.77 3.64 -1.70 0.50 116.57 124.11 1j3x h LYS 59 Ca 0.00 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.06 1j3x h LYS 59 Cb 0.85 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 1j3x h LYS 59 CO 0.06 0.38 -1.70 1.19 -2.27 0.00 0.00 179.45 177.12 1j3x n PHE 60 N -4.27 0.93 0.04 1.91 3.72 -1.07 -2.98 117.46 115.74 1j3x n PHE 60 Ca -0.01 0.33 -0.07 0.00 -0.05 0.00 0.00 57.45 57.65 1j3x n PHE 60 Cb 0.27 -1.15 -0.12 0.00 -0.94 0.00 0.00 39.48 37.54 1j3x n PHE 60 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1j3x h GLU 61 N 0.00 0.00 0.00 -1.08 4.22 -0.93 -2.97 114.58 113.83 1j3x h GLU 61 Ca -0.28 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 58.95 1j3x h GLU 61 Cb 1.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1j3x h GLU 61 CO 0.07 0.85 -1.12 0.22 -2.18 0.00 0.00 179.01 176.84 1j3x h ASP 62 N 0.00 0.00 0.96 1.04 1.82 -0.15 -2.95 116.42 117.14 1j3x h ASP 62 Ca -0.08 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.38 1j3x h ASP 62 Cb 1.82 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.81 1j3x h ASP 62 CO 0.11 0.90 -0.83 0.24 -1.61 0.00 0.00 179.24 178.06 1j3x h MET 63 N 0.00 0.00 0.09 0.28 2.86 -1.63 -1.75 114.93 114.78 1j3x h MET 63 Ca -0.08 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.30 1j3x h MET 63 Cb 1.76 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.42 1j3x h MET 63 CO 0.10 0.83 -1.16 0.00 1.06 0.00 0.00 176.91 177.75 1j3x h ALA 64 N 1.17 0.18 0.01 6.32 0.00 -1.60 -3.16 119.26 122.18 1j3x h ALA 64 Ca -0.01 -0.87 -0.22 0.00 0.00 0.00 0.00 54.91 53.81 1j3x h ALA 64 Cb 1.54 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1j3x h ALA 64 CO 0.11 1.02 -1.09 -0.22 0.00 0.00 0.00 179.25 179.07 1j3x h LYS 65 N 0.07 0.01 -0.18 0.00 3.11 -1.56 -2.58 116.57 115.44 1j3x h LYS 65 Ca -0.10 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.63 1j3x h LYS 65 Cb 1.89 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.11 1j3x h LYS 65 CO 0.18 0.96 -0.26 1.03 -2.81 0.00 0.00 179.45 178.55 1j3x h SER 66 N 0.00 0.33 0.76 4.20 0.87 -1.39 -2.21 113.55 116.12 1j3x h SER 66 Ca -0.04 -0.11 -0.23 0.00 -1.23 0.00 0.00 61.79 60.18 1j3x h SER 66 Cb 1.80 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.64 1j3x h SER 66 CO 0.13 0.60 -1.34 0.44 -0.53 0.00 0.00 176.83 176.12 1j3x h ASP 67 N 0.30 0.00 0.09 6.23 5.19 -1.60 -3.22 116.42 123.40 1j3x h ASP 67 Ca 0.04 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 1j3x h ASP 67 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 1j3x h ASP 67 CO 0.05 0.91 -0.42 0.50 -3.12 0.00 0.00 179.24 177.15 1j3x h LYS 68 N 0.00 0.42 0.00 3.56 3.11 -1.27 -2.79 116.57 119.59 1j3x h LYS 68 Ca -0.16 -0.21 -0.15 0.00 -2.81 0.00 0.00 60.65 57.32 1j3x h LYS 68 Cb 1.83 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.04 1j3x h LYS 68 CO 0.09 0.77 -0.72 0.00 -2.81 0.00 0.00 179.45 176.78 1j3x h ALA 69 N 1.21 0.77 0.00 5.00 0.00 -1.51 -3.10 119.26 121.62 1j3x h ALA 69 Ca 0.03 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1j3x h ALA 69 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1j3x h ALA 69 CO 0.07 0.89 -0.46 -0.09 0.00 0.00 0.00 179.25 179.67 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 2.43 -1.52 -2.95 114.38 112.34 1j3x h ARG 70 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1j3x h ARG 70 Cb 1.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1j3x h ARG 70 CO 0.09 0.46 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.08 1j3x h TYR 71 N 0.00 0.00 0.03 2.20 3.20 -1.42 -1.58 116.97 119.40 1j3x h TYR 71 Ca -0.00 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1j3x h TYR 71 Cb 0.95 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 1j3x h TYR 71 CO 0.00 0.02 -1.01 0.22 -1.64 0.00 0.00 178.16 175.75 1j3x h ASP 72 N 0.00 0.12 -0.93 -2.11 3.58 -1.65 -3.26 116.42 112.16 1j3x h ASP 72 Ca -0.00 -0.12 -0.58 0.00 0.42 0.00 0.00 57.03 56.75 1j3x h ASP 72 Cb 0.03 -0.04 -0.28 0.00 1.72 0.00 0.00 39.33 40.77 1j3x h ASP 72 CO 0.00 1.05 0.75 0.54 -2.88 0.00 0.00 179.24 178.70 1j3x n ARG 73 N -3.46 2.43 0.00 0.28 1.74 -0.61 -3.63 116.66 113.42 1j3x n ARG 73 Ca -0.02 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.08 1j3x n ARG 73 Cb 0.92 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1j3x n ARG 73 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1j3x n GLU 74 N -0.85 0.00 -0.09 5.56 2.13 -1.09 -4.88 120.64 121.42 1j3x n GLU 74 Ca 0.58 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.30 1j3x n GLU 74 Cb 0.97 -0.47 -0.16 0.00 0.27 0.00 0.00 31.44 32.06 1j3x n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1j3x n MET 75 N -2.35 0.68 -2.05 5.31 2.81 -1.25 -5.04 117.12 115.24 1j3x n MET 75 Ca 0.00 0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 55.92 1j3x n MET 75 Cb 0.23 -1.57 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 1j3x n MET 75 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1j3x n LYS 76 N -2.82 0.06 0.00 0.03 2.85 -1.24 -5.16 118.16 111.88 1j3x n LYS 76 Ca -0.30 -0.35 0.01 0.00 -1.05 0.00 0.00 58.31 56.62 1j3x n LYS 76 Cb 1.13 0.31 0.01 0.00 -0.65 0.00 0.00 35.03 35.83 1j3x n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44