#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 0.88 0.08 -5.12 0.00 -1.26 -4.97 105.19 94.80 1j3x n GLY 2 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1j3x n GLY 2 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j3x h LYS 3 N 3.12 0.01 -1.02 1.61 3.64 -1.90 -3.33 116.57 118.69 1j3x h LYS 3 Ca -0.08 -0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.63 1j3x h LYS 3 Cb 1.08 0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 32.58 1j3x h LYS 3 CO 0.19 0.58 0.46 0.41 -2.27 0.00 0.00 179.45 178.83 1j3x n GLY 4 N 1.54 5.98 3.01 5.01 0.00 -1.26 -4.95 105.19 114.52 1j3x n GLY 4 Ca -0.15 -2.42 -0.14 0.00 0.00 0.00 0.00 46.02 43.32 1j3x n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j3x s ASP 5 N -2.23 0.67 0.79 1.61 1.01 -1.26 -5.16 116.67 112.11 1j3x s ASP 5 Ca 0.60 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1j3x s ASP 5 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 42.92 44.41 1j3x s ASP 5 CO -0.03 -0.11 0.00 -0.81 0.21 0.00 0.00 175.17 174.43 1j3x n PRO 6 N 2.08 -0.21 -2.02 8.23 -0.04 -1.26 -4.90 135.00 136.88 1j3x n PRO 6 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1j3x n PRO 6 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1j3x n PRO 6 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1j3x n ASN 7 N -2.38 -7.25 -1.40 3.54 3.02 -1.26 -4.91 115.26 104.62 1j3x n ASN 7 Ca 0.00 1.38 0.17 0.00 -0.03 0.00 0.00 54.58 56.09 1j3x n ASN 7 Cb 0.00 -4.43 -0.08 0.00 -0.61 0.00 0.00 39.78 34.66 1j3x n ASN 7 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j3x n LYS 8 N 1.89 -3.05 0.00 3.52 5.02 -1.26 -4.92 118.16 119.37 1j3x n LYS 8 Ca 0.00 2.40 0.00 0.00 -2.02 0.00 0.00 58.31 58.69 1j3x n LYS 8 Cb 0.00 -3.64 0.00 0.00 -0.02 0.00 0.00 35.03 31.37 1j3x n LYS 8 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1j3x n PRO 9 N -4.23 0.14 -1.09 1.97 -0.04 -1.26 -4.92 135.00 125.57 1j3x n PRO 9 Ca -0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 1j3x n PRO 9 Cb 0.66 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.24 1j3x n PRO 9 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1j3x n ARG 10 N -0.70 2.19 -0.74 0.54 0.00 -1.25 -4.89 116.66 111.80 1j3x n ARG 10 Ca 0.00 -2.61 0.10 0.00 -0.00 0.00 0.00 57.85 55.34 1j3x n ARG 10 Cb 0.00 -2.02 -0.03 0.00 -0.00 0.00 0.00 32.46 30.41 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j3x n GLY 11 N -0.74 -1.99 0.00 2.89 0.00 -1.26 -4.34 105.19 99.75 1j3x n GLY 11 Ca 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1j3x n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3x n LYS 12 N -2.68 1.16 -2.23 1.61 5.02 -1.26 -5.08 118.16 114.70 1j3x n LYS 12 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1j3x n LYS 12 Cb 0.34 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.34 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1j3x n MET 13 N -0.65 0.75 -3.96 1.97 2.81 -1.26 -5.06 117.12 111.71 1j3x n MET 13 Ca 0.00 -0.34 -0.12 0.00 -1.81 0.00 0.00 57.70 55.43 1j3x n MET 13 Cb 0.00 0.20 -0.01 0.00 -0.71 0.00 0.00 33.22 32.70 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 -1.24 0.51 0.38 7.83 0.15 -1.26 -4.83 113.70 115.23 1j3x s SER 14 Ca 0.02 -1.33 0.15 0.00 0.70 0.00 0.00 55.95 55.49 1j3x s SER 14 Cb 0.00 0.75 0.75 0.00 -1.71 0.00 0.00 66.02 65.81 1j3x s SER 14 CO 0.02 -1.48 1.81 0.77 1.20 0.00 0.00 173.24 175.55 1j3x h SER 15 N 2.05 0.00 0.99 5.45 4.64 -1.93 -2.37 113.55 122.38 1j3x h SER 15 Ca -0.30 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.86 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 0.39 0.38 -0.76 0.22 -0.87 0.00 0.00 176.83 176.19 1j3x h TYR 16 N 0.00 0.00 0.03 4.77 3.20 -1.96 -2.23 116.97 120.78 1j3x h TYR 16 Ca -0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.65 1j3x h TYR 16 Cb 0.72 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1j3x h TYR 16 CO 0.00 0.76 -0.98 0.00 -1.64 0.00 0.00 178.16 176.31 1j3x h ALA 17 N 1.24 0.41 0.00 1.82 0.00 -1.88 -3.20 119.26 117.65 1j3x h ALA 17 Ca -0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 54.91 53.89 1j3x h ALA 17 Cb 1.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1j3x h ALA 17 CO 0.10 1.05 -1.02 0.74 0.00 0.00 0.00 179.25 180.12 1j3x h PHE 18 N 0.05 0.00 -0.58 0.00 0.04 -1.45 -2.90 116.94 112.10 1j3x h PHE 18 Ca -0.05 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 1j3x h PHE 18 Cb 1.67 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.79 1j3x h PHE 18 CO 0.02 0.90 0.13 0.35 -0.60 0.00 0.00 178.31 179.11 1j3x h PHE 19 N 0.00 0.98 0.00 -0.55 3.57 -1.44 0.22 116.94 119.72 1j3x h PHE 19 Ca -0.05 -0.12 -0.18 0.00 3.53 0.00 0.00 57.97 61.15 1j3x h PHE 19 Cb 1.73 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 1j3x h PHE 19 CO 0.00 0.84 -0.84 0.28 -2.23 0.00 0.00 178.31 176.36 1j3x h VAL 20 N 0.83 1.59 0.01 1.41 2.07 -1.64 -2.69 116.25 117.83 1j3x h VAL 20 Ca 0.18 -2.90 -0.11 0.00 0.82 0.00 0.00 66.70 64.69 1j3x h VAL 20 Cb 0.36 2.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1j3x h VAL 20 CO 0.00 0.82 -0.43 -0.61 0.02 0.00 0.00 177.57 177.38 1j3x h GLN 21 N 0.00 0.27 0.00 1.57 4.15 -1.28 -1.21 115.11 118.60 1j3x h GLN 21 Ca -0.01 -0.30 -0.05 0.00 0.77 0.00 0.00 58.65 59.06 1j3x h GLN 21 Cb 1.50 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.28 1j3x h GLN 21 CO 0.11 1.02 -0.24 1.15 -1.93 0.00 0.00 178.83 178.94 1j3x h THR 22 N -0.36 0.95 0.00 2.39 2.02 -0.64 -2.15 112.91 115.13 1j3x h THR 22 Ca -0.06 -0.91 -0.22 0.00 0.77 0.00 0.00 66.41 66.00 1j3x h THR 22 Cb 1.18 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 1j3x h THR 22 CO 0.08 0.24 -1.28 0.28 0.37 0.00 0.00 175.52 175.21 1j3x h SER 23 N 0.00 0.00 -0.04 4.18 0.02 -1.51 -3.29 113.55 112.91 1j3x h SER 23 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1j3x h SER 23 Cb 0.50 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.05 1j3x h SER 23 CO 0.03 0.83 -0.83 -0.09 -1.14 0.00 0.00 176.83 175.63 1j3x h ARG 24 N 0.00 0.71 -0.78 3.45 1.12 -0.90 -2.08 114.38 115.90 1j3x h ARG 24 Ca -0.14 -0.62 -0.02 0.00 -1.11 0.00 0.00 59.98 58.08 1j3x h ARG 24 Cb 1.76 0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 31.83 1j3x h ARG 24 CO 0.08 1.23 0.39 0.93 -3.11 0.00 0.00 179.97 179.49 1j3x h GLU 25 N 0.47 1.11 0.00 0.20 5.08 -1.53 -2.07 114.58 117.84 1j3x h GLU 25 Ca -0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1j3x h GLU 25 Cb 1.46 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1j3x h GLU 25 CO 0.17 0.85 0.00 1.49 -1.00 0.00 0.00 179.01 180.52 1j3x h GLU 26 N 1.09 0.00 -0.16 2.33 4.81 -1.62 -3.30 114.58 117.74 1j3x h GLU 26 Ca 0.27 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1j3x h GLU 26 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1j3x h GLU 26 CO -0.04 0.00 0.04 1.25 -0.73 0.00 0.00 179.01 179.53 1j3x h HIS 27 N 0.00 0.27 0.00 0.92 2.76 -0.63 -2.67 115.15 115.80 1j3x h HIS 27 Ca 0.00 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1j3x h HIS 27 Cb 0.80 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.69 1j3x h HIS 27 CO 0.00 0.40 -0.01 -0.22 -1.30 0.00 0.00 177.93 176.80 1j3x h LYS 28 N 0.06 0.00 0.00 5.26 3.64 -1.62 0.98 116.57 124.89 1j3x h LYS 28 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1j3x h LYS 28 Cb 0.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1j3x h LYS 28 CO 0.00 0.01 -0.16 0.87 -2.27 0.00 0.00 179.45 177.90 1j3x h LYS 29 N 0.00 0.00 0.00 1.90 1.57 -1.60 -3.03 116.57 115.41 1j3x h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3x h LYS 29 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1j3x h LYS 29 CO 0.00 0.16 -0.10 0.36 -0.57 0.00 0.00 179.45 179.30 1j3x n LYS 30 N -3.95 1.26 -3.06 3.15 0.00 -0.49 -4.84 118.16 110.22 1j3x n LYS 30 Ca -0.02 -1.93 -0.18 0.00 -0.00 0.00 0.00 58.31 56.18 1j3x n LYS 30 Cb 0.24 -1.14 -0.02 0.00 -0.00 0.00 0.00 35.03 34.11 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1j3x n HIS 31 N -0.89 -1.05 0.11 5.58 8.25 0.22 -4.95 115.22 122.50 1j3x n HIS 31 Ca 0.09 -3.14 -0.03 0.00 -0.26 0.00 0.00 57.72 54.37 1j3x n HIS 31 Cb 0.57 0.20 0.13 0.00 1.12 0.00 0.00 29.99 32.00 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 3.65 0.09 -2.00 -0.41 0.13 -1.84 -3.27 132.00 128.35 1j3x h PRO 32 Ca 0.02 -0.07 -0.74 0.00 -0.87 0.00 0.00 66.00 64.34 1j3x h PRO 32 Cb 0.95 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 31.79 1j3x h PRO 32 CO 0.41 0.71 0.64 -0.25 -0.23 0.00 0.00 178.00 179.28 1j3x n ASP 33 N -3.80 6.81 -3.64 1.44 8.00 -1.26 -4.93 116.55 119.17 1j3x n ASP 33 Ca -0.02 -3.77 -0.06 0.00 0.71 0.00 0.00 54.79 51.65 1j3x n ASP 33 Cb 0.64 -0.96 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1j3x s SER 34 N -1.72 -0.49 0.81 -2.24 0.15 -1.23 -5.18 113.70 103.79 1j3x s SER 34 Ca 0.48 0.86 -0.04 0.00 0.70 0.00 0.00 55.95 57.95 1j3x s SER 34 Cb 0.36 1.04 0.17 0.00 -1.71 0.00 0.00 66.02 65.88 1j3x s SER 34 CO -0.29 -0.14 1.11 -0.55 1.20 0.00 0.00 173.24 174.56 1j3x s SER 35 N 0.80 3.83 -0.37 5.45 0.15 -1.26 -4.96 113.70 117.34 1j3x s SER 35 Ca -0.03 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 1j3x s SER 35 Cb -0.04 0.18 0.18 0.00 -1.71 0.00 0.00 66.02 64.63 1j3x s SER 35 CO -0.11 -2.23 0.85 0.54 1.20 0.00 0.00 173.24 173.49 1j3x s VAL 36 N -3.38 -0.59 0.00 4.45 0.11 -1.26 -5.08 120.40 114.64 1j3x s VAL 36 Ca 0.70 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1j3x s VAL 36 Cb -0.03 0.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.82 1j3x s VAL 36 CO 0.47 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.83 1j3x n ASN 37 N 4.03 -0.74 -0.04 3.54 4.13 -1.26 -4.85 115.26 120.07 1j3x n ASN 37 Ca 0.08 -0.45 -0.16 0.00 1.68 0.00 0.00 54.58 55.73 1j3x n ASN 37 Cb 0.60 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.71 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1j3x h PHE 38 N -1.27 0.16 -0.33 3.10 0.04 -2.02 -3.17 116.94 113.45 1j3x h PHE 38 Ca 0.00 -0.12 -0.17 0.00 2.80 0.00 0.00 57.97 60.48 1j3x h PHE 38 Cb 0.00 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 1j3x h PHE 38 CO 0.00 1.13 -0.44 0.00 -0.60 0.00 0.00 178.31 178.40 1j3x h ALA 39 N -0.01 0.50 0.00 2.45 0.00 -1.96 1.42 119.26 121.66 1j3x h ALA 39 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1j3x h ALA 39 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1j3x h ALA 39 CO 0.03 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.85 1j3x h GLU 40 N 0.68 0.00 0.00 0.00 4.39 -1.94 -2.66 114.58 115.05 1j3x h GLU 40 Ca 0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1j3x h GLU 40 Cb 1.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1j3x h GLU 40 CO 0.10 0.00 -1.43 0.34 -1.16 0.00 0.00 179.01 176.87 1j3x n PHE 41 N -2.51 0.00 0.21 4.33 7.35 -1.00 -4.56 117.46 121.27 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 0.11 -0.28 0.83 0.00 0.35 0.00 0.00 39.48 40.49 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 -0.17 0.00 0.60 -2.13 4.64 0.19 0.30 113.55 116.98 1j3x h SER 42 Ca -0.18 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.00 1j3x h SER 42 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1j3x h SER 42 CO -0.08 0.00 -0.64 0.11 -0.87 0.00 0.00 176.83 175.34 1j3x h LYS 43 N 0.00 0.04 0.16 4.77 1.79 -1.65 -2.81 116.57 118.87 1j3x h LYS 43 Ca 0.10 -0.03 -0.35 0.00 -2.18 0.00 0.00 60.65 58.19 1j3x h LYS 43 Cb 0.68 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1j3x h LYS 43 CO -0.00 0.67 -1.76 -0.22 -1.08 0.00 0.00 179.45 177.05 1j3x h LYS 44 N 0.03 0.34 0.00 3.15 3.11 -0.70 -3.33 116.57 119.17 1j3x h LYS 44 Ca -0.01 -0.59 -0.02 0.00 -2.81 0.00 0.00 60.65 57.23 1j3x h LYS 44 Cb 1.14 0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1j3x h LYS 44 CO 0.09 1.25 -0.07 0.00 -2.81 0.00 0.00 179.45 177.91 1j3x h SER 46 N 0.00 0.20 0.39 0.00 4.64 -1.60 0.14 113.55 117.31 1j3x h SER 46 Ca -0.00 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1j3x h SER 46 Cb 0.14 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1j3x h SER 46 CO 0.01 0.46 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.76 1j3x h GLU 47 N 0.18 0.00 0.09 4.77 4.39 -1.39 -1.04 114.58 121.58 1j3x h GLU 47 Ca 0.03 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.39 1j3x h GLU 47 Cb 0.55 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1j3x h GLU 47 CO 0.04 0.34 -1.88 -2.13 -1.16 0.00 0.00 179.01 174.22 1j3x n ARG 48 N -4.03 0.70 0.23 2.33 0.63 -0.89 -3.79 116.66 111.84 1j3x n ARG 48 Ca -0.02 0.33 0.07 0.00 -0.92 0.00 0.00 57.85 57.31 1j3x n ARG 48 Cb 0.39 -1.70 0.55 0.00 0.45 0.00 0.00 32.46 32.15 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 -0.21 0.00 0.00 -0.14 2.91 -0.73 0.26 115.95 118.03 1j3x h TRP 49 Ca -0.43 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.53 1j3x h TRP 49 Cb 1.85 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.49 1j3x h TRP 49 CO 0.07 0.19 -0.32 0.87 -1.03 0.00 0.00 178.44 178.23 1j3x h LYS 50 N 0.00 0.00 0.00 2.65 1.79 -1.34 -3.25 116.57 116.42 1j3x h LYS 50 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1j3x h LYS 50 Cb 0.37 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1j3x h LYS 50 CO 0.02 0.32 -1.93 -2.37 -1.08 0.00 0.00 179.45 174.41 1j3x n THR 51 N -3.33 0.18 -1.67 -0.16 5.66 -0.78 -4.98 114.28 109.19 1j3x n THR 51 Ca 0.01 -0.49 -0.39 0.00 -3.05 0.00 0.00 64.05 60.13 1j3x n THR 51 Cb 0.55 -0.03 0.04 0.00 -1.55 0.00 0.00 70.33 69.34 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 -2.24 1.38 -2.11 1.09 2.81 0.83 -5.01 117.12 113.87 1j3x n MET 52 Ca -0.07 0.51 -0.16 0.00 -1.81 0.00 0.00 57.70 56.16 1j3x n MET 52 Cb 0.59 -2.33 0.08 0.00 -0.71 0.00 0.00 33.22 30.85 1j3x n MET 52 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1j3x n SER 53 N -0.55 1.08 0.24 7.83 3.41 -1.26 -4.84 113.62 119.53 1j3x n SER 53 Ca 0.11 -1.88 0.12 0.00 -0.26 0.00 0.00 58.87 56.96 1j3x n SER 53 Cb 0.44 -0.45 0.55 0.00 -0.26 0.00 0.00 64.21 64.49 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3x h ALA 54 N -0.44 1.04 -0.03 7.33 0.00 -1.96 0.06 119.26 125.26 1j3x h ALA 54 Ca -0.24 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1j3x h ALA 54 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1j3x h ALA 54 CO 0.26 0.19 -0.35 0.87 0.00 0.00 0.00 179.25 180.22 1j3x h LYS 55 N 0.00 0.06 0.01 0.00 1.57 -2.00 -0.47 116.57 115.75 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 0.64 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 1j3x h LYS 55 CO 0.02 0.41 -2.38 0.39 -0.57 0.00 0.00 179.45 177.31 1j3x n GLU 56 N -4.11 0.64 0.29 3.15 1.02 -1.07 -4.29 120.64 116.28 1j3x n GLU 56 Ca -0.02 0.21 0.17 0.00 -0.02 0.00 0.00 57.16 57.50 1j3x n GLU 56 Cb 0.40 -1.55 0.83 0.00 -0.02 0.00 0.00 31.44 31.10 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 -0.30 0.00 -0.13 3.49 1.57 -1.04 -2.56 116.57 117.60 1j3x h LYS 57 Ca -0.58 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.16 1j3x h LYS 57 Cb 1.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 1j3x h LYS 57 CO -0.16 0.05 -0.08 0.66 -0.57 0.00 0.00 179.45 179.36 1j3x h SER 58 N 0.00 0.18 0.22 0.86 4.64 -1.26 -1.09 113.55 117.10 1j3x h SER 58 Ca -0.00 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1j3x h SER 58 Cb 0.33 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1j3x h SER 58 CO 0.01 0.29 -0.20 0.50 -0.87 0.00 0.00 176.83 176.55 1j3x h LYS 59 N 0.19 0.00 0.00 4.77 3.64 -1.68 -1.70 116.57 121.79 1j3x h LYS 59 Ca 0.04 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.16 1j3x h LYS 59 Cb 0.26 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1j3x h LYS 59 CO 0.01 0.20 -1.69 1.19 -2.27 0.00 0.00 179.45 176.90 1j3x n PHE 60 N -4.24 0.90 0.15 1.91 3.72 -0.74 -3.81 117.46 115.35 1j3x n PHE 60 Ca -0.02 0.32 0.01 0.00 -0.05 0.00 0.00 57.45 57.70 1j3x n PHE 60 Cb 0.27 -1.13 0.21 0.00 -0.94 0.00 0.00 39.48 37.88 1j3x n PHE 60 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j3x h GLU 61 N 0.00 0.00 0.00 -1.08 4.39 -0.93 -2.58 114.58 114.38 1j3x h GLU 61 Ca -0.27 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.28 1j3x h GLU 61 Cb 1.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.53 1j3x h GLU 61 CO 0.06 0.56 -0.70 0.22 -1.16 0.00 0.00 179.01 177.99 1j3x h ASP 62 N 0.00 0.00 1.09 1.42 3.58 -1.46 -2.62 116.42 118.43 1j3x h ASP 62 Ca -0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 1j3x h ASP 62 Cb 1.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 1j3x h ASP 62 CO 0.07 0.70 -0.93 0.24 -2.88 0.00 0.00 179.24 176.44 1j3x h MET 63 N 0.00 0.00 0.04 0.28 2.86 -1.63 -3.01 114.93 113.47 1j3x h MET 63 Ca -0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 1j3x h MET 63 Cb 1.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 1j3x h MET 63 CO 0.09 0.84 -1.03 0.00 1.06 0.00 0.00 176.91 177.87 1j3x h ALA 64 N 1.13 0.34 0.00 6.32 0.00 -1.45 -3.19 119.26 122.41 1j3x h ALA 64 Ca -0.03 -0.84 -0.14 0.00 0.00 0.00 0.00 54.91 53.90 1j3x h ALA 64 Cb 1.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1j3x h ALA 64 CO 0.11 1.07 -0.69 -0.22 0.00 0.00 0.00 179.25 179.52 1j3x h LYS 65 N 0.05 0.00 -0.00 0.00 1.63 -1.53 -2.50 116.57 114.21 1j3x h LYS 65 Ca -0.05 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 1j3x h LYS 65 Cb 1.74 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.35 1j3x h LYS 65 CO 0.15 0.69 -0.54 1.03 -3.45 0.00 0.00 179.45 177.33 1j3x h SER 66 N 0.00 0.01 0.84 4.20 0.87 -1.56 -2.68 113.55 115.23 1j3x h SER 66 Ca -0.01 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.32 1j3x h SER 66 Cb 1.29 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.21 1j3x h SER 66 CO 0.09 0.55 -1.24 0.44 -0.53 0.00 0.00 176.83 176.14 1j3x h ASP 67 N 0.01 0.00 0.32 6.23 3.32 -1.53 -2.76 116.42 122.01 1j3x h ASP 67 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1j3x h ASP 67 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1j3x h ASP 67 CO 0.07 0.94 -0.52 0.50 -1.72 0.00 0.00 179.24 178.51 1j3x h LYS 68 N 0.00 0.22 0.03 3.56 3.11 -1.33 -2.99 116.57 119.17 1j3x h LYS 68 Ca -0.12 -0.13 -0.26 0.00 -2.81 0.00 0.00 60.65 57.33 1j3x h LYS 68 Cb 1.82 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 33.03 1j3x h LYS 68 CO 0.10 0.69 -1.38 0.00 -2.81 0.00 0.00 179.45 176.05 1j3x h ALA 69 N 1.28 0.48 0.00 5.00 0.00 -1.57 -3.29 119.26 121.17 1j3x h ALA 69 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 54.91 53.74 1j3x h ALA 69 Cb 0.98 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1j3x h ALA 69 CO 0.08 1.35 -0.09 -0.09 0.00 0.00 0.00 179.25 180.49 1j3x h ARG 70 N 0.02 0.00 -0.20 0.00 2.43 -1.43 -2.62 114.38 112.58 1j3x h ARG 70 Ca -0.16 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1j3x h ARG 70 Cb 1.92 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 1j3x h ARG 70 CO 0.12 0.09 0.17 -0.92 -1.51 0.00 0.00 179.97 177.92 1j3x h TYR 71 N 0.00 0.00 -0.06 2.20 5.03 -1.60 -0.14 116.97 122.40 1j3x h TYR 71 Ca -0.00 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 1j3x h TYR 71 Cb 0.36 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1j3x h TYR 71 CO 0.00 0.00 -0.44 0.22 -1.32 0.00 0.00 178.16 176.62 1j3x h ASP 72 N 0.00 0.15 -0.53 -2.11 3.58 -1.69 -3.01 116.42 112.82 1j3x h ASP 72 Ca 0.09 -0.07 -0.29 0.00 0.42 0.00 0.00 57.03 57.18 1j3x h ASP 72 Cb 0.44 -0.04 -0.17 0.00 1.72 0.00 0.00 39.33 41.27 1j3x h ASP 72 CO -0.00 0.58 0.05 0.54 -2.88 0.00 0.00 179.24 177.52 1j3x n ARG 73 N -4.01 2.06 -0.08 0.28 1.74 -0.12 -4.48 116.66 112.06 1j3x n ARG 73 Ca -0.02 -3.24 -0.09 0.00 -0.77 0.00 0.00 57.85 53.73 1j3x n ARG 73 Cb 0.49 -1.94 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 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 -1.10 1.21 -0.03 5.56 2.13 -0.88 -4.59 120.64 122.95 1j3x n GLU 74 Ca 0.40 0.03 -0.10 0.00 0.66 0.00 0.00 57.16 58.15 1j3x n GLU 74 Cb 1.12 -1.38 -0.14 0.00 0.27 0.00 0.00 31.44 31.31 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 -2.72 0.65 -3.14 5.31 2.81 -1.26 -4.91 117.12 113.87 1j3x n MET 75 Ca -0.27 0.26 -0.30 0.00 -1.81 0.00 0.00 57.70 55.58 1j3x n MET 75 Cb 0.95 -1.75 -0.04 0.00 -0.71 0.00 0.00 33.22 31.67 1j3x n MET 75 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1j3x s LYS 76 N -2.58 3.75 0.00 0.03 -0.14 -1.26 -5.21 119.74 114.32 1j3x s LYS 76 Ca -0.08 0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.82 1j3x s LYS 76 Cb 0.08 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.70 1j3x s LYS 76 CO 0.82 0.12 0.00 -1.71 -0.76 0.00 0.00 175.35 173.82