#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x n GLY 2 N 0.00 -3.87 3.56 -5.12 0.00 -1.26 -4.96 105.19 93.54 1j3x n GLY 2 Ca 0.00 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1j3x n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3x s LYS 3 N -2.58 3.73 0.58 1.61 1.02 -1.26 -5.04 119.74 117.80 1j3x s LYS 3 Ca 0.00 -0.47 -0.17 0.00 0.02 0.00 0.00 55.97 55.35 1j3x s LYS 3 Cb 0.00 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1j3x s LYS 3 CO 0.00 -0.30 1.08 0.20 -0.92 0.00 0.00 175.35 175.41 1j3x s GLY 4 N 1.74 2.30 0.31 -3.33 0.00 -1.26 -4.58 107.32 102.50 1j3x s GLY 4 Ca 0.07 0.56 0.09 0.00 0.00 0.00 0.00 44.72 45.43 1j3x s GLY 4 CO 0.11 0.89 0.04 0.99 0.00 0.00 0.00 173.10 175.13 1j3x s ASP 5 N -2.39 4.45 0.06 1.64 1.01 -1.26 -5.04 116.67 115.14 1j3x s ASP 5 Ca 0.67 -0.80 -0.17 0.00 0.71 0.00 0.00 52.55 52.96 1j3x s ASP 5 Cb -0.19 -0.70 -0.17 0.00 1.01 0.00 0.00 42.92 42.87 1j3x s ASP 5 CO 0.33 -0.17 1.25 1.55 0.21 0.00 0.00 175.17 178.34 1j3x h PRO 6 N 1.76 0.58 0.00 8.23 0.13 -1.97 -3.42 132.00 137.32 1j3x h PRO 6 Ca -0.43 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 1j3x h PRO 6 Cb 1.25 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3x h PRO 6 CO 0.63 1.09 -0.72 0.09 -0.23 0.00 0.00 178.00 178.87 1j3x n ASN 7 N -4.18 2.61 -4.72 1.44 3.02 -1.26 -5.07 115.26 107.11 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 0.13 0.00 -0.61 0.00 0.00 39.78 39.92 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 -1.74 1.60 0.43 3.52 1.02 -1.26 -5.02 119.74 118.29 1j3x s LYS 8 Ca 0.00 1.39 -0.07 0.00 0.02 0.00 0.00 55.97 57.30 1j3x s LYS 8 Cb 0.00 -1.81 0.11 0.00 -0.52 0.00 0.00 37.83 35.61 1j3x s LYS 8 CO 0.00 -2.17 0.43 -0.35 -0.92 0.00 0.00 175.35 172.35 1j3x n PRO 9 N -3.87 -1.43 -2.79 -1.68 -0.04 -1.26 -4.25 135.00 119.68 1j3x n PRO 9 Ca 0.11 -0.69 -0.20 0.00 -0.04 0.00 0.00 63.50 62.68 1j3x n PRO 9 Cb 0.52 -0.58 0.05 0.00 -0.04 0.00 0.00 33.50 33.45 1j3x n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1j3x s ARG 10 N -3.97 2.37 1.09 0.54 3.52 -1.26 -4.40 118.95 116.83 1j3x s ARG 10 Ca 0.27 -1.12 -0.17 0.00 -0.13 0.00 0.00 55.73 54.58 1j3x s ARG 10 Cb -0.02 -2.55 0.24 0.00 -1.56 0.00 0.00 34.95 31.06 1j3x s ARG 10 CO 0.20 -0.80 1.15 0.20 -0.81 0.00 0.00 175.30 175.24 1j3x s GLY 11 N -4.52 1.62 0.00 8.12 0.00 -1.26 -5.08 107.32 106.19 1j3x s GLY 11 Ca 0.60 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1j3x s GLY 11 CO 0.39 -0.08 0.00 0.28 0.00 0.00 0.00 173.10 173.69 1j3x n LYS 12 N -4.35 1.30 -0.93 2.90 4.76 -1.26 -5.09 118.16 115.49 1j3x n LYS 12 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1j3x n LYS 12 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1j3x n MET 13 N -0.79 1.40 -3.83 1.97 2.81 -1.26 -5.10 117.12 112.33 1j3x n MET 13 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1j3x n MET 13 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x s SER 14 N -0.97 -0.09 0.43 7.83 0.15 -1.26 -4.95 113.70 114.85 1j3x s SER 14 Ca 0.00 -0.85 0.16 0.00 0.70 0.00 0.00 55.95 55.96 1j3x s SER 14 Cb 0.00 0.73 0.98 0.00 -1.71 0.00 0.00 66.02 66.02 1j3x s SER 14 CO 0.00 -1.41 1.94 0.77 1.20 0.00 0.00 173.24 175.74 1j3x h SER 15 N 2.00 0.00 0.98 5.45 4.64 -1.91 -1.76 113.55 122.95 1j3x h SER 15 Ca -0.27 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.88 1j3x h SER 15 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1j3x h SER 15 CO 0.33 0.24 -0.80 0.22 -0.87 0.00 0.00 176.83 175.95 1j3x h TYR 16 N 0.00 0.00 0.00 4.77 5.03 -1.95 -2.53 116.97 122.28 1j3x h TYR 16 Ca -0.00 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.11 1j3x h TYR 16 Cb 0.45 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 1j3x h TYR 16 CO 0.00 0.80 -0.93 0.00 -1.32 0.00 0.00 178.16 176.71 1j3x h ALA 17 N 1.20 0.40 0.00 1.82 0.00 -1.82 -3.26 119.26 117.60 1j3x h ALA 17 Ca -0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 54.91 53.86 1j3x h ALA 17 Cb 1.51 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1j3x h ALA 17 CO 0.10 1.17 -0.97 0.74 0.00 0.00 0.00 179.25 180.29 1j3x h PHE 18 N 0.00 0.00 -0.12 0.00 0.04 -1.36 -2.86 116.94 112.65 1j3x h PHE 18 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1j3x h PHE 18 Cb 1.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.86 1j3x h PHE 18 CO 0.00 0.91 0.04 0.35 -0.60 0.00 0.00 178.31 179.01 1j3x h PHE 19 N 0.00 0.19 -0.00 -0.55 3.57 -1.50 0.09 116.94 118.74 1j3x h PHE 19 Ca -0.03 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 1j3x h PHE 19 Cb 1.72 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.38 1j3x h PHE 19 CO 0.00 0.30 -0.60 0.28 -2.23 0.00 0.00 178.31 176.06 1j3x h VAL 20 N 0.02 1.43 -0.09 1.41 2.07 -1.66 0.05 116.25 119.48 1j3x h VAL 20 Ca 0.04 -2.05 -0.14 0.00 0.82 0.00 0.00 66.70 65.37 1j3x h VAL 20 Cb 0.20 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1j3x h VAL 20 CO -0.00 0.59 -0.58 -0.61 0.02 0.00 0.00 177.57 176.99 1j3x h GLN 21 N 0.01 0.28 0.00 1.57 -0.00 -1.26 0.20 115.11 115.90 1j3x h GLN 21 Ca -0.01 -0.18 -0.26 0.00 -0.00 0.00 0.00 58.65 58.20 1j3x h GLN 21 Cb 1.06 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.52 1j3x h GLN 21 CO 0.08 0.78 -1.47 1.15 0.00 0.00 0.00 178.83 179.37 1j3x h THR 22 N 0.21 1.04 0.05 2.39 2.02 -0.85 -3.23 112.91 114.55 1j3x h THR 22 Ca -0.00 -2.82 -0.24 0.00 0.77 0.00 0.00 66.41 64.12 1j3x h THR 22 Cb 1.07 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.96 1j3x h THR 22 CO 0.09 0.59 -1.11 0.28 0.37 0.00 0.00 175.52 175.74 1j3x h SER 23 N 0.00 0.17 -0.37 4.18 0.02 -0.96 -3.16 113.55 113.43 1j3x h SER 23 Ca -0.20 -0.19 -0.16 0.00 -0.84 0.00 0.00 61.79 60.40 1j3x h SER 23 Cb 1.90 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1j3x h SER 23 CO 0.09 1.15 -0.39 -0.09 -1.14 0.00 0.00 176.83 176.44 1j3x h ARG 24 N 0.03 0.93 0.42 3.45 2.43 -1.08 -1.81 114.38 118.76 1j3x h ARG 24 Ca -0.07 -0.50 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 1j3x h ARG 24 Cb 1.86 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1j3x h ARG 24 CO 0.16 1.15 -0.20 1.49 -1.51 0.00 0.00 179.97 181.06 1j3x h GLU 25 N 0.76 -0.55 0.00 0.20 4.81 -1.63 -1.70 114.58 116.47 1j3x h GLU 25 Ca 0.06 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1j3x h GLU 25 Cb 0.99 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1j3x h GLU 25 CO 0.10 -0.31 -0.04 1.49 -0.73 0.00 0.00 179.01 179.52 1j3x h GLU 26 N -0.67 0.00 0.00 1.92 4.81 -1.59 -0.93 114.58 118.13 1j3x h GLU 26 Ca -0.06 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1j3x h GLU 26 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1j3x h GLU 26 CO 0.10 0.04 -0.33 1.25 -0.73 0.00 0.00 179.01 179.34 1j3x h HIS 27 N 0.00 0.00 -0.35 0.92 2.76 -0.87 -2.97 115.15 114.64 1j3x h HIS 27 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1j3x h HIS 27 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1j3x h HIS 27 CO 0.00 0.33 0.00 1.63 -1.30 0.00 0.00 177.93 178.59 1j3x n LYS 28 N -3.40 3.13 -0.01 5.26 5.02 -0.35 -3.47 118.16 124.34 1j3x n LYS 28 Ca 0.00 -1.81 0.05 0.00 -2.02 0.00 0.00 58.31 54.53 1j3x n LYS 28 Cb 0.52 -1.87 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j3x n LYS 29 N 0.42 0.36 -0.90 1.97 5.02 -1.12 -4.67 118.16 119.24 1j3x n LYS 29 Ca 0.16 -0.09 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 1j3x n LYS 29 Cb 0.75 -1.23 0.06 0.00 -0.02 0.00 0.00 35.03 34.59 1j3x n LYS 29 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1j3x n LYS 30 N -1.85 0.38 -3.05 1.97 2.85 -1.25 -4.89 118.16 112.32 1j3x n LYS 30 Ca -0.02 -1.95 -0.16 0.00 -1.05 0.00 0.00 58.31 55.13 1j3x n LYS 30 Cb 0.27 -0.56 -0.00 0.00 -0.65 0.00 0.00 35.03 34.08 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 -0.11 -0.92 0.15 5.58 8.25 -1.23 -4.94 115.22 122.01 1j3x n HIS 31 Ca 0.07 -3.21 0.01 0.00 -0.26 0.00 0.00 57.72 54.33 1j3x n HIS 31 Cb 0.89 0.23 0.21 0.00 1.12 0.00 0.00 29.99 32.44 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 3.26 0.00 -1.02 -0.41 0.13 -1.89 -3.18 132.00 128.90 1j3x h PRO 32 Ca 0.03 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.52 1j3x h PRO 32 Cb 0.99 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.78 1j3x h PRO 32 CO 0.39 0.56 0.23 -0.40 -0.23 0.00 0.00 178.00 178.55 1j3x n ASP 33 N -3.70 6.59 -3.87 1.44 5.75 -1.26 -4.96 116.55 116.54 1j3x n ASP 33 Ca -0.01 -3.78 -0.16 0.00 -0.01 0.00 0.00 54.79 50.84 1j3x n ASP 33 Cb 0.60 -0.74 -0.15 0.00 -1.03 0.00 0.00 41.12 39.79 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1j3x s SER 34 N -2.47 0.38 0.07 -1.12 0.15 -1.20 -5.14 113.70 104.37 1j3x s SER 34 Ca 0.58 -0.04 -0.19 0.00 0.70 0.00 0.00 55.95 57.01 1j3x s SER 34 Cb 0.46 -0.13 -0.07 0.00 -1.71 0.00 0.00 66.02 64.58 1j3x s SER 34 CO -0.03 -0.03 0.55 -0.44 1.20 0.00 0.00 173.24 174.49 1j3x s SER 35 N 0.46 7.03 -0.41 5.45 0.01 -1.26 -5.02 113.70 119.95 1j3x s SER 35 Ca -0.04 1.22 0.08 0.00 1.31 0.00 0.00 55.95 58.52 1j3x s SER 35 Cb -0.07 -2.34 0.26 0.00 0.21 0.00 0.00 66.02 64.07 1j3x s SER 35 CO -0.01 0.27 0.62 0.55 0.41 0.00 0.00 173.24 175.09 1j3x n VAL 36 N 1.69 -0.51 -0.33 3.43 3.14 -1.26 -5.04 118.33 119.44 1j3x n VAL 36 Ca -0.11 -3.47 -0.28 0.00 -2.96 0.00 0.00 64.34 57.52 1j3x n VAL 36 Cb 0.51 -1.07 0.27 0.00 -1.06 0.00 0.00 33.84 32.48 1j3x n VAL 36 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1j3x n ASN 37 N 1.37 -3.47 -0.07 6.55 5.15 -1.26 -4.67 115.26 118.87 1j3x n ASN 37 Ca 0.18 -0.64 -0.11 0.00 -0.60 0.00 0.00 54.58 53.42 1j3x n ASN 37 Cb 0.56 -1.02 -0.04 0.00 -0.53 0.00 0.00 39.78 38.74 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1j3x h PHE 38 N -3.28 0.37 -0.41 1.20 0.04 -2.00 -2.40 116.94 110.46 1j3x h PHE 38 Ca -0.44 -0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.16 1j3x h PHE 38 Cb 1.26 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 1j3x h PHE 38 CO -2.74 0.47 -0.25 0.00 -0.60 0.00 0.00 178.31 175.19 1j3x h ALA 39 N 0.86 0.77 0.00 2.45 0.00 -1.96 1.69 119.26 123.08 1j3x h ALA 39 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1j3x h ALA 39 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j3x h ALA 39 CO 0.00 0.65 0.00 0.39 0.00 0.00 0.00 179.25 180.30 1j3x n GLU 40 N -4.10 0.10 -0.01 0.00 -0.58 -1.17 -2.69 120.64 112.18 1j3x n GLU 40 Ca -0.00 0.40 -0.02 0.00 -0.42 0.00 0.00 57.16 57.11 1j3x n GLU 40 Cb 0.46 -1.72 -0.01 0.00 -0.57 0.00 0.00 31.44 29.60 1j3x n GLU 40 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1j3x n PHE 41 N -1.91 0.00 0.29 -0.32 7.35 -0.89 -4.50 117.46 117.48 1j3x n PHE 41 Ca 0.02 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.90 1j3x n PHE 41 Cb 0.16 -0.11 0.97 0.00 0.35 0.00 0.00 39.48 40.85 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 -0.03 0.00 1.15 -2.13 4.64 0.25 0.10 113.55 117.53 1j3x h SER 42 Ca -0.07 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 1j3x h SER 42 Cb 1.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1j3x h SER 42 CO -0.02 0.00 -0.89 0.11 -0.87 0.00 0.00 176.83 175.16 1j3x h LYS 43 N 0.00 0.00 0.15 4.77 1.57 -1.68 -3.31 116.57 118.06 1j3x h LYS 43 Ca 0.03 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.52 1j3x h LYS 43 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1j3x h LYS 43 CO -0.00 0.48 -1.40 -0.22 -0.57 0.00 0.00 179.45 177.74 1j3x h LYS 44 N 0.00 0.32 -0.27 3.15 1.63 -1.06 -3.32 116.57 117.01 1j3x h LYS 44 Ca -0.06 -0.54 0.06 0.00 -0.85 0.00 0.00 60.65 59.25 1j3x h LYS 44 Cb 1.50 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 33.32 1j3x h LYS 44 CO 0.07 1.26 0.19 0.00 -3.45 0.00 0.00 179.45 177.52 1j3x h SER 46 N 0.11 0.94 -0.41 0.00 4.64 -1.67 0.44 113.55 117.60 1j3x h SER 46 Ca 0.13 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1j3x h SER 46 Cb 0.37 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1j3x h SER 46 CO -0.01 1.11 0.15 -0.33 -0.87 0.00 0.00 176.83 176.88 1j3x h GLU 47 N 0.80 0.69 0.14 4.77 4.39 -1.36 0.95 114.58 124.97 1j3x h GLU 47 Ca 0.11 -0.11 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1j3x h GLU 47 Cb 0.76 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1j3x h GLU 47 CO 0.06 0.61 -1.69 -0.09 -1.16 0.00 0.00 179.01 176.74 1j3x h ARG 48 N 0.68 0.29 -0.23 2.33 2.43 -1.30 -3.06 114.38 115.52 1j3x h ARG 48 Ca 0.16 -0.50 -0.09 0.00 -0.81 0.00 0.00 59.98 58.74 1j3x h ARG 48 Cb 0.20 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1j3x h ARG 48 CO -0.01 1.17 -0.25 2.35 -1.51 0.00 0.00 179.97 181.72 1j3x h TRP 49 N 0.08 0.48 0.00 2.20 2.91 0.05 0.51 115.95 122.17 1j3x h TRP 49 Ca -0.31 -0.10 -0.16 0.00 1.13 0.00 0.00 58.89 59.45 1j3x h TRP 49 Cb 2.05 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 30.56 1j3x h TRP 49 CO 0.08 0.65 -0.78 0.87 -1.03 0.00 0.00 178.44 178.22 1j3x h LYS 50 N 0.38 0.00 0.00 2.65 1.79 -0.93 -3.19 116.57 117.27 1j3x h LYS 50 Ca 0.06 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1j3x h LYS 50 Cb 0.65 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1j3x h LYS 50 CO 0.05 0.78 -0.80 1.79 -1.08 0.00 0.00 179.45 180.19 1j3x h THR 51 N 0.00 0.49 -3.93 -0.16 1.35 -1.38 -3.47 112.91 105.82 1j3x h THR 51 Ca -0.01 -1.79 -0.54 0.00 -0.55 0.00 0.00 66.41 63.52 1j3x h THR 51 Cb 1.42 2.09 0.19 0.00 -1.73 0.00 0.00 68.15 70.12 1j3x h THR 51 CO 0.10 0.28 0.13 0.23 -0.25 0.00 0.00 175.52 176.01 1j3x n MET 52 N -3.01 0.22 -3.03 4.72 2.81 0.14 -5.02 117.12 113.96 1j3x n MET 52 Ca -0.02 0.14 -0.20 0.00 -1.81 0.00 0.00 57.70 55.82 1j3x n MET 52 Cb 0.71 -2.28 0.06 0.00 -0.71 0.00 0.00 33.22 31.00 1j3x n MET 52 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1j3x n SER 53 N -2.44 2.14 0.25 7.83 7.64 -1.26 -4.89 113.62 122.89 1j3x n SER 53 Ca 0.12 -2.55 0.13 0.00 1.01 0.00 0.00 58.87 57.59 1j3x n SER 53 Cb 0.50 -0.38 0.59 0.00 -1.01 0.00 0.00 64.21 63.91 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3x h ALA 54 N 0.17 1.05 -0.02 -0.43 0.00 -1.96 0.23 119.26 118.30 1j3x h ALA 54 Ca -0.27 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1j3x h ALA 54 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1j3x h ALA 54 CO 0.40 0.16 -0.44 0.87 0.00 0.00 0.00 179.25 180.24 1j3x h LYS 55 N 0.00 0.04 0.01 0.00 1.57 -2.00 -1.98 116.57 114.22 1j3x h LYS 55 Ca -0.00 -0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 58.36 1j3x h LYS 55 Cb 0.59 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1j3x h LYS 55 CO 0.02 0.47 -2.37 0.39 -0.57 0.00 0.00 179.45 177.39 1j3x n GLU 56 N -4.02 0.64 0.30 3.15 1.02 -1.05 -4.27 120.64 116.41 1j3x n GLU 56 Ca -0.02 0.22 0.17 0.00 -0.02 0.00 0.00 57.16 57.51 1j3x n GLU 56 Cb 0.47 -1.55 0.96 0.00 -0.02 0.00 0.00 31.44 31.30 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 -0.35 0.00 -0.08 3.49 1.57 -1.03 -1.63 116.57 118.54 1j3x h LYS 57 Ca -0.59 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.11 1j3x h LYS 57 Cb 1.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 1j3x h LYS 57 CO -0.18 0.02 -0.32 0.66 -0.57 0.00 0.00 179.45 179.06 1j3x h SER 58 N 0.00 0.16 0.37 0.86 4.64 -1.54 0.32 113.55 118.36 1j3x h SER 58 Ca -0.00 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 1j3x h SER 58 Cb 0.07 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1j3x h SER 58 CO 0.00 0.48 -0.33 0.50 -0.87 0.00 0.00 176.83 176.61 1j3x h LYS 59 N 0.14 0.00 0.00 4.77 3.64 -1.50 -0.11 116.57 123.51 1j3x h LYS 59 Ca 0.02 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.12 1j3x h LYS 59 Cb 0.64 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 1j3x h LYS 59 CO 0.05 0.33 -1.87 1.19 -2.27 0.00 0.00 179.45 176.88 1j3x n PHE 60 N -4.07 0.65 0.09 1.91 3.72 -0.98 -3.76 117.46 115.02 1j3x n PHE 60 Ca -0.02 0.23 -0.04 0.00 -0.05 0.00 0.00 57.45 57.58 1j3x n PHE 60 Cb 0.38 -1.08 -0.04 0.00 -0.94 0.00 0.00 39.48 37.79 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 -0.81 -3.06 114.58 113.85 1j3x h GLU 61 Ca -0.33 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 58.97 1j3x h GLU 61 Cb 1.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.18 1j3x h GLU 61 CO 0.05 0.82 -0.68 0.22 -2.18 0.00 0.00 179.01 177.24 1j3x h ASP 62 N 0.00 0.00 1.03 1.04 3.58 -1.18 -2.74 116.42 118.15 1j3x h ASP 62 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 1j3x h ASP 62 Cb 1.59 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.61 1j3x h ASP 62 CO 0.11 0.68 -0.80 0.24 -2.88 0.00 0.00 179.24 176.59 1j3x h MET 63 N 0.00 0.00 0.02 0.28 2.86 -1.65 -3.02 114.93 113.42 1j3x h MET 63 Ca -0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 1j3x h MET 63 Cb 1.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 1j3x h MET 63 CO 0.09 0.80 -1.02 0.00 1.06 0.00 0.00 176.91 177.84 1j3x h ALA 64 N 1.20 0.33 0.00 6.32 0.00 -1.51 -3.26 119.26 122.35 1j3x h ALA 64 Ca -0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 54.91 53.87 1j3x h ALA 64 Cb 1.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1j3x h ALA 64 CO 0.10 1.20 -0.63 -0.22 0.00 0.00 0.00 179.25 179.70 1j3x h LYS 65 N 0.01 0.00 0.20 0.00 1.63 -1.52 -2.61 116.57 114.28 1j3x h LYS 65 Ca -0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1j3x h LYS 65 Cb 1.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 1j3x h LYS 65 CO 0.14 0.63 -0.10 1.03 -3.45 0.00 0.00 179.45 177.70 1j3x h SER 66 N 0.00 -0.23 0.59 4.20 0.87 -1.56 -2.71 113.55 114.71 1j3x h SER 66 Ca -0.01 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 1j3x h SER 66 Cb 1.21 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1j3x h SER 66 CO 0.08 -0.09 -0.47 -2.24 -0.53 0.00 0.00 176.83 173.58 1j3x h ASP 67 N -0.35 0.00 0.08 6.23 3.04 -1.65 -2.87 116.42 120.89 1j3x h ASP 67 Ca -0.03 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.75 1j3x h ASP 67 Cb 0.27 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.56 1j3x h ASP 67 CO 0.05 0.47 -0.06 0.50 -2.04 0.00 0.00 179.24 178.15 1j3x h LYS 68 N 0.00 0.00 0.00 4.15 3.64 -1.19 -1.40 116.57 121.77 1j3x h LYS 68 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1j3x h LYS 68 Cb 0.89 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1j3x h LYS 68 CO 0.06 0.06 -0.44 0.00 -2.27 0.00 0.00 179.45 176.86 1j3x h ALA 69 N 1.94 1.15 0.00 5.00 0.00 -1.25 -2.81 119.26 123.29 1j3x h ALA 69 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1j3x h ALA 69 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1j3x h ALA 69 CO 0.01 0.55 -0.31 -0.09 0.00 0.00 0.00 179.25 179.41 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 9.65 -1.37 -2.51 114.38 120.16 1j3x h ARG 70 Ca -0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1j3x h ARG 70 Cb 0.84 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1j3x h ARG 70 CO 0.06 0.31 -0.32 -0.92 2.80 0.00 0.00 179.97 181.89 1j3x h TYR 71 N 0.00 0.00 -0.12 2.20 3.20 -1.53 -2.63 116.97 118.10 1j3x h TYR 71 Ca -0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1j3x h TYR 71 Cb 0.59 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1j3x h TYR 71 CO 0.00 0.32 -0.46 -0.44 -1.64 0.00 0.00 178.16 175.94 1j3x h ASP 72 N 0.00 0.30 -0.91 -2.11 3.32 -1.54 -3.00 116.42 112.48 1j3x h ASP 72 Ca -0.00 -0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.36 1j3x h ASP 72 Cb 0.61 -0.08 -0.29 0.00 0.22 0.00 0.00 39.33 39.78 1j3x h ASP 72 CO 0.04 0.72 0.57 0.54 -1.72 0.00 0.00 179.24 179.39 1j3x n ARG 73 N -3.99 2.47 -0.00 3.56 5.12 -1.00 -4.15 116.66 118.66 1j3x n ARG 73 Ca -0.02 -3.22 -0.01 0.00 -1.93 0.00 0.00 57.85 52.67 1j3x n ARG 73 Cb 0.52 -2.19 -0.00 0.00 -1.16 0.00 0.00 32.46 29.62 1j3x n ARG 73 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1j3x n GLU 74 N -1.03 0.69 -0.02 5.56 2.13 -1.13 -4.43 120.64 122.41 1j3x n GLU 74 Ca 0.57 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.33 1j3x n GLU 74 Cb 1.15 -1.02 -0.13 0.00 0.27 0.00 0.00 31.44 31.71 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 -2.44 0.64 0.10 5.31 2.81 -1.25 -4.19 117.12 118.10 1j3x n MET 75 Ca -0.02 0.23 -0.15 0.00 -1.81 0.00 0.00 57.70 55.95 1j3x n MET 75 Cb 0.52 -1.75 -0.12 0.00 -0.71 0.00 0.00 33.22 31.15 1j3x n MET 75 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1j3x h LYS 76 N 0.00 0.27 0.00 0.03 1.57 -1.86 -3.54 116.57 113.05 1j3x h LYS 76 Ca -0.28 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1j3x h LYS 76 Cb 1.92 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.38 1j3x h LYS 76 CO 0.06 1.19 0.00 0.09 -0.57 0.00 0.00 179.45 180.22