#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 -2.48 0.16 -5.12 0.00 -1.26 -5.03 105.19 91.45 1j3x n GLY 2 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1j3x n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3x n LYS 3 N 0.26 0.58 -2.48 1.61 5.02 -1.26 -4.95 118.16 116.93 1j3x n LYS 3 Ca 0.00 0.18 -0.38 0.00 -2.02 0.00 0.00 58.31 56.09 1j3x n LYS 3 Cb 0.00 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.52 1j3x n LYS 3 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1j3x s GLY 4 N -5.97 2.89 0.13 0.72 0.00 -1.25 -4.79 107.32 99.06 1j3x s GLY 4 Ca -0.34 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1j3x s GLY 4 CO 0.51 1.33 0.00 1.22 0.00 0.00 0.00 173.10 176.17 1j3x n ASP 5 N 0.47 -1.17 -0.04 1.64 8.00 0.28 -4.49 116.55 121.25 1j3x n ASP 5 Ca 0.02 0.62 -0.16 0.00 0.71 0.00 0.00 54.79 55.99 1j3x n ASP 5 Cb 0.47 1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 42.95 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j3x h PRO 6 N 0.00 0.61 0.00 -0.24 0.13 -1.97 -3.43 132.00 127.11 1j3x h PRO 6 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1j3x h PRO 6 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1j3x h PRO 6 CO 0.00 1.08 -0.82 0.09 -0.23 0.00 0.00 178.00 178.12 1j3x n ASN 7 N -4.18 0.10 -4.80 1.44 3.02 -1.26 -5.05 115.26 104.52 1j3x n ASN 7 Ca -0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.12 1j3x n ASN 7 Cb 0.60 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.99 4.40 0.23 3.52 -0.14 -1.26 -5.06 119.74 119.43 1j3x s LYS 8 Ca 0.00 1.14 -0.04 0.00 -1.36 0.00 0.00 55.97 55.71 1j3x s LYS 8 Cb 0.00 -2.68 0.06 0.00 -1.68 0.00 0.00 37.83 33.53 1j3x s LYS 8 CO 0.00 0.24 0.24 -0.35 -0.76 0.00 0.00 175.35 174.72 1j3x n PRO 9 N 0.31 -0.99 -2.71 -1.68 -0.04 -1.26 0.10 135.00 128.73 1j3x n PRO 9 Ca 0.02 -0.37 -0.04 0.00 -0.04 0.00 0.00 63.50 63.06 1j3x n PRO 9 Cb 0.51 -0.31 0.10 0.00 -0.04 0.00 0.00 33.50 33.77 1j3x n PRO 9 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1j3x n ARG 10 N -1.94 1.34 0.00 0.54 0.63 -1.26 -3.84 116.66 112.13 1j3x n ARG 10 Ca 0.03 -2.03 0.00 0.00 -0.92 0.00 0.00 57.85 54.93 1j3x n ARG 10 Cb 0.12 -0.26 0.00 0.00 0.45 0.00 0.00 32.46 32.77 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j3x n GLY 11 N -0.91 0.04 0.00 5.14 0.00 -1.26 -5.03 105.19 103.18 1j3x n GLY 11 Ca -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.21 0.93 -1.80 1.61 5.02 -1.26 -5.05 118.16 117.39 1j3x n LYS 12 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1j3x n LYS 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.90 1.09 -3.98 1.97 2.81 -1.26 -5.05 117.12 111.80 1j3x n MET 13 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1j3x n MET 13 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 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 -0.80 -0.07 0.36 7.83 0.15 -1.26 -4.80 113.70 115.12 1j3x s SER 14 Ca 0.00 -0.90 0.16 0.00 0.70 0.00 0.00 55.95 55.90 1j3x s SER 14 Cb 0.00 0.55 0.68 0.00 -1.71 0.00 0.00 66.02 65.54 1j3x s SER 14 CO 0.00 -1.08 1.76 0.77 1.20 0.00 0.00 173.24 175.90 1j3x h SER 15 N 2.32 0.00 0.61 5.45 4.64 -1.90 -2.76 113.55 121.91 1j3x h SER 15 Ca -0.28 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 1j3x h SER 15 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1j3x h SER 15 CO 0.39 0.41 -0.52 0.22 -0.87 0.00 0.00 176.83 176.46 1j3x h TYR 16 N 0.00 0.00 0.15 4.77 5.03 -1.96 -2.17 116.97 122.78 1j3x h TYR 16 Ca -0.00 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.01 1j3x h TYR 16 Cb 0.82 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.12 1j3x h TYR 16 CO 0.00 0.52 -1.27 0.00 -1.32 0.00 0.00 178.16 176.09 1j3x h ALA 17 N 1.48 0.03 0.00 1.82 0.00 -1.91 -3.26 119.26 117.43 1j3x h ALA 17 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 1j3x h ALA 17 Cb 0.96 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1j3x h ALA 17 CO 0.07 0.80 -0.51 0.74 0.00 0.00 0.00 179.25 180.35 1j3x h PHE 18 N 0.17 0.00 0.20 0.00 0.04 -1.44 -2.98 116.94 112.92 1j3x h PHE 18 Ca -0.17 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 1j3x h PHE 18 Cb 1.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.11 1j3x h PHE 18 CO 0.09 0.51 -0.10 0.35 -0.60 0.00 0.00 178.31 178.57 1j3x h PHE 19 N 0.00 -0.25 0.00 -0.55 3.57 -1.43 0.87 116.94 119.15 1j3x h PHE 19 Ca -0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1j3x h PHE 19 Cb 0.99 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1j3x h PHE 19 CO 0.00 -0.09 -0.17 0.28 -2.23 0.00 0.00 178.31 176.10 1j3x h VAL 20 N -0.35 0.96 0.05 1.41 2.07 -1.60 -1.54 116.25 117.25 1j3x h VAL 20 Ca -0.03 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1j3x h VAL 20 Cb 0.27 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1j3x h VAL 20 CO 0.05 0.17 -0.02 -0.61 0.02 0.00 0.00 177.57 177.17 1j3x h GLN 21 N 0.00 -0.06 0.00 1.57 -0.00 -1.29 -1.62 115.11 113.71 1j3x h GLN 21 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1j3x h GLN 21 Cb 0.33 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.82 1j3x h GLN 21 CO 0.02 0.56 -0.11 1.15 0.00 0.00 0.00 178.83 180.45 1j3x h THR 22 N -0.78 0.94 0.00 2.39 2.02 -0.71 -1.96 112.91 114.81 1j3x h THR 22 Ca -0.01 -0.39 -0.19 0.00 0.77 0.00 0.00 66.41 66.59 1j3x h THR 22 Cb 0.65 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1j3x h THR 22 CO 0.01 0.11 -0.93 0.28 0.37 0.00 0.00 175.52 175.36 1j3x h SER 23 N 0.00 0.00 -0.00 4.18 0.02 -1.30 -3.19 113.55 113.25 1j3x h SER 23 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j3x h SER 23 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1j3x h SER 23 CO 0.01 0.89 0.00 -0.09 -1.14 0.00 0.00 176.83 176.50 1j3x h ARG 24 N 0.00 0.01 -0.80 3.45 1.12 -0.49 -1.67 114.38 116.01 1j3x h ARG 24 Ca -0.02 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1j3x h ARG 24 Cb 1.70 -0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.62 1j3x h ARG 24 CO 0.11 0.15 0.44 1.49 -3.11 0.00 0.00 179.97 179.06 1j3x h GLU 25 N -0.14 1.10 0.00 0.20 4.81 -1.64 -1.07 114.58 117.84 1j3x h GLU 25 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1j3x h GLU 25 Cb 0.15 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1j3x h GLU 25 CO -0.00 0.80 0.00 -1.91 -0.73 0.00 0.00 179.01 177.17 1j3x n GLU 26 N -4.35 0.19 -0.74 1.92 4.07 -1.08 -2.63 120.64 118.01 1j3x n GLU 26 Ca 0.08 0.40 -0.04 0.00 -0.06 0.00 0.00 57.16 57.54 1j3x n GLU 26 Cb 0.09 -1.85 0.23 0.00 -0.06 0.00 0.00 31.44 29.85 1j3x n GLU 26 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1j3x n HIS 27 N -2.20 1.77 -0.01 4.31 -0.00 -0.41 -4.15 115.22 114.54 1j3x n HIS 27 Ca 0.02 -0.89 -0.01 0.00 0.46 0.00 0.00 57.72 57.30 1j3x n HIS 27 Cb 0.24 -0.54 -0.01 0.00 -0.12 0.00 0.00 29.99 29.56 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 0.00 1.48 -0.04 1.57 4.81 -1.08 -4.33 118.16 120.56 1j3x n LYS 28 Ca 0.29 0.01 -0.09 0.00 -0.87 0.00 0.00 58.31 57.65 1j3x n LYS 28 Cb 1.09 -1.05 0.07 0.00 0.02 0.00 0.00 35.03 35.16 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 0.68 -0.63 1.64 6.56 -1.72 -2.94 116.57 120.16 1j3x h LYS 29 Ca -0.05 -0.35 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 1j3x h LYS 29 Cb 1.09 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1j3x h LYS 29 CO -0.00 0.95 0.00 0.36 -2.06 0.00 0.00 179.45 178.70 1j3x n LYS 30 N -4.04 3.24 -3.39 3.15 2.85 -1.26 -4.67 118.16 114.04 1j3x n LYS 30 Ca -0.02 -2.37 -0.22 0.00 -1.05 0.00 0.00 58.31 54.65 1j3x n LYS 30 Cb 0.52 -1.78 -0.09 0.00 -0.65 0.00 0.00 35.03 33.03 1j3x n LYS 30 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1j3x s HIS 31 N -1.77 0.18 0.24 5.58 3.76 -1.11 -4.98 115.29 117.19 1j3x s HIS 31 Ca 0.42 -1.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.14 1j3x s HIS 31 Cb 0.27 -0.63 0.25 0.00 1.11 0.00 0.00 32.58 33.58 1j3x s HIS 31 CO 0.21 -0.91 1.55 -1.00 -0.85 0.00 0.00 174.74 173.74 1j3x h PRO 32 N 6.89 0.17 -2.09 8.40 0.13 -1.83 -3.40 132.00 140.26 1j3x h PRO 32 Ca 0.07 -0.13 -0.47 0.00 -0.87 0.00 0.00 66.00 64.60 1j3x h PRO 32 Cb 1.01 0.02 -0.33 0.00 0.13 0.00 0.00 31.00 31.83 1j3x h PRO 32 CO 0.23 0.75 -0.82 0.34 -0.23 0.00 0.00 178.00 178.27 1j3x s ASP 33 N -6.89 1.13 -0.20 1.44 2.15 -1.26 -5.11 116.67 107.94 1j3x s ASP 33 Ca -0.03 -2.42 -0.12 0.00 0.43 0.00 0.00 52.55 50.41 1j3x s ASP 33 Cb 0.12 0.15 0.06 0.00 -0.30 0.00 0.00 42.92 42.95 1j3x s ASP 33 CO 0.79 -0.19 0.50 -0.55 -0.17 0.00 0.00 175.17 175.55 1j3x s SER 34 N 0.63 -0.65 0.50 -0.34 0.15 -1.26 -5.15 113.70 107.57 1j3x s SER 34 Ca 0.27 1.09 -0.19 0.00 0.70 0.00 0.00 55.95 57.82 1j3x s SER 34 Cb -0.05 0.97 -0.08 0.00 -1.71 0.00 0.00 66.02 65.15 1j3x s SER 34 CO -0.11 -0.21 1.01 -0.55 1.20 0.00 0.00 173.24 174.59 1j3x s SER 35 N 1.40 6.43 -0.47 5.45 0.15 -1.26 -5.02 113.70 120.39 1j3x s SER 35 Ca -0.09 1.79 0.05 0.00 0.70 0.00 0.00 55.95 58.40 1j3x s SER 35 Cb -0.07 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 61.94 1j3x s SER 35 CO -0.14 -0.72 0.93 0.55 1.20 0.00 0.00 173.24 175.06 1j3x n VAL 36 N -1.18 0.00 0.00 4.45 3.14 -1.26 -5.05 118.33 118.43 1j3x n VAL 36 Ca 0.08 -1.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.18 1j3x n VAL 36 Cb 0.53 1.35 0.00 0.00 -1.06 0.00 0.00 33.84 34.66 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 1.82 -1.66 0.10 6.55 4.13 -1.26 -4.71 115.26 120.23 1j3x n ASN 37 Ca 0.09 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.12 1j3x n ASN 37 Cb 0.63 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.73 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 -1.82 0.94 -0.09 3.10 0.04 -2.01 -3.05 116.94 114.05 1j3x h PHE 38 Ca 0.00 -0.62 -0.08 0.00 2.80 0.00 0.00 57.97 60.06 1j3x h PHE 38 Cb 0.00 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1j3x h PHE 38 CO 0.00 1.47 -0.27 0.00 -0.60 0.00 0.00 178.31 178.91 1j3x h ALA 39 N 0.23 0.15 0.00 2.45 0.00 -1.97 1.36 119.26 121.48 1j3x h ALA 39 Ca -0.20 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1j3x h ALA 39 Cb 1.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1j3x h ALA 39 CO 0.23 0.17 0.00 0.93 0.00 0.00 0.00 179.25 180.58 1j3x h GLU 40 N -0.12 0.00 0.00 0.00 4.39 -1.91 -2.54 114.58 114.40 1j3x h GLU 40 Ca -0.01 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.41 1j3x h GLU 40 Cb 0.90 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1j3x h GLU 40 CO 0.06 0.00 -1.94 0.34 -1.16 0.00 0.00 179.01 176.30 1j3x n PHE 41 N -2.74 0.00 0.15 4.33 7.35 -1.09 -4.51 117.46 120.95 1j3x n PHE 41 Ca -0.02 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.08 -0.61 0.77 0.00 0.35 0.00 0.00 39.48 40.06 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 -0.50 0.00 0.36 -2.13 4.64 0.18 0.36 113.55 116.46 1j3x h SER 42 Ca -0.42 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.81 1j3x h SER 42 Cb 1.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 1j3x h SER 42 CO -0.23 0.00 -0.41 0.50 -0.87 0.00 0.00 176.83 175.82 1j3x h LYS 43 N 0.00 0.08 0.10 4.77 1.63 -1.64 -1.98 116.57 119.52 1j3x h LYS 43 Ca 0.15 -0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 59.63 1j3x h LYS 43 Cb 0.94 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 1j3x h LYS 43 CO -0.00 0.48 -1.46 -0.22 -3.45 0.00 0.00 179.45 174.80 1j3x h LYS 44 N 0.07 0.20 0.00 1.90 1.63 -0.55 -3.30 116.57 116.52 1j3x h LYS 44 Ca 0.00 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.45 1j3x h LYS 44 Cb 0.76 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1j3x h LYS 44 CO 0.06 1.17 -0.03 0.00 -3.45 0.00 0.00 179.45 177.19 1j3x h SER 46 N 0.00 0.62 0.11 0.00 4.64 -1.48 0.31 113.55 117.75 1j3x h SER 46 Ca -0.00 -0.30 -0.13 0.00 -0.47 0.00 0.00 61.79 60.89 1j3x h SER 46 Cb 0.06 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1j3x h SER 46 CO 0.00 0.99 -0.47 -0.33 -0.87 0.00 0.00 176.83 176.16 1j3x h GLU 47 N 0.45 0.42 0.09 4.77 4.39 -1.36 -1.30 114.58 122.05 1j3x h GLU 47 Ca 0.03 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.35 1j3x h GLU 47 Cb 0.99 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1j3x h GLU 47 CO 0.09 0.80 -0.69 -0.09 -1.16 0.00 0.00 179.01 177.96 1j3x h ARG 48 N 0.34 0.19 -0.09 2.33 2.43 -1.29 -2.86 114.38 115.42 1j3x h ARG 48 Ca 0.02 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1j3x h ARG 48 Cb 0.95 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1j3x h ARG 48 CO 0.08 1.16 -0.01 2.35 -1.51 0.00 0.00 179.97 182.04 1j3x h TRP 49 N -0.58 0.13 0.00 2.20 2.91 -0.42 0.86 115.95 121.05 1j3x h TRP 49 Ca -0.14 -0.00 -0.16 0.00 1.13 0.00 0.00 58.89 59.73 1j3x h TRP 49 Cb 1.46 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 30.05 1j3x h TRP 49 CO 0.21 0.15 -0.74 0.87 -1.03 0.00 0.00 178.44 177.89 1j3x h LYS 50 N 0.13 0.00 0.00 2.65 1.79 -1.31 -3.25 116.57 116.57 1j3x h LYS 50 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1j3x h LYS 50 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1j3x h LYS 50 CO 0.00 0.74 -1.33 0.25 -1.08 0.00 0.00 179.45 178.04 1j3x n THR 51 N -3.42 0.11 -0.73 -0.16 -2.24 -0.61 -4.97 114.28 102.26 1j3x n THR 51 Ca 0.00 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 1j3x n THR 51 Cb 0.79 0.27 0.15 0.00 -2.10 0.00 0.00 70.33 69.43 1j3x n THR 51 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1j3x n MET 52 N -2.01 -0.47 -3.53 -0.78 2.81 0.29 -5.03 117.12 108.41 1j3x n MET 52 Ca 0.00 -0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.58 1j3x n MET 52 Cb 0.46 -2.10 -0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1j3x n MET 52 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x n SER 53 N -2.76 2.53 0.24 7.83 2.88 -1.26 -4.92 113.62 118.16 1j3x n SER 53 Ca 0.09 -2.63 0.16 0.00 -1.33 0.00 0.00 58.87 55.16 1j3x n SER 53 Cb 0.53 -0.02 0.67 0.00 -0.75 0.00 0.00 64.21 64.65 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3x h ALA 54 N 0.71 1.00 0.00 -1.46 0.00 -1.96 -0.05 119.26 117.51 1j3x h ALA 54 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1j3x h ALA 54 Cb 1.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1j3x h ALA 54 CO 0.47 0.00 -0.52 0.87 0.00 0.00 0.00 179.25 180.07 1j3x h LYS 55 N 0.00 0.00 0.00 0.00 1.57 -2.00 -2.36 116.57 113.78 1j3x h LYS 55 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1j3x h LYS 55 Cb 0.43 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 1j3x h LYS 55 CO 0.00 0.52 -2.31 0.39 -0.57 0.00 0.00 179.45 177.48 1j3x n GLU 56 N -3.88 0.55 0.30 3.15 1.02 -1.04 -4.39 120.64 116.34 1j3x n GLU 56 Ca -0.01 0.16 0.17 0.00 -0.02 0.00 0.00 57.16 57.45 1j3x n GLU 56 Cb 0.54 -1.42 0.93 0.00 -0.02 0.00 0.00 31.44 31.46 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 -0.29 0.00 -0.03 3.49 1.57 -1.12 -2.05 116.57 118.14 1j3x h LYS 57 Ca -0.54 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1j3x h LYS 57 Cb 1.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.01 1j3x h LYS 57 CO -0.18 0.04 0.02 0.66 -0.57 0.00 0.00 179.45 179.42 1j3x h SER 58 N 0.00 0.00 0.95 0.86 4.64 -1.63 0.23 113.55 118.60 1j3x h SER 58 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1j3x h SER 58 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1j3x h SER 58 CO 0.00 0.00 -0.78 0.50 -0.87 0.00 0.00 176.83 175.69 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.63 -2.85 116.57 120.50 1j3x h LYS 59 Ca 0.01 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 1j3x h LYS 59 Cb 0.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1j3x h LYS 59 CO -0.00 0.78 -1.51 0.74 -2.27 0.00 0.00 179.45 177.19 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.31 -3.32 116.94 114.26 1j3x h PHE 60 Ca -0.01 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1j3x h PHE 60 Cb 1.46 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.60 1j3x h PHE 60 CO 0.00 0.82 -0.65 1.49 -0.60 0.00 0.00 178.31 179.37 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.22 -0.66 -2.90 114.58 116.75 1j3x h GLU 61 Ca -0.21 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.11 1j3x h GLU 61 Cb 1.81 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 1j3x h GLU 61 CO 0.07 0.65 -0.58 0.22 -2.18 0.00 0.00 179.01 177.19 1j3x h ASP 62 N 0.00 0.00 1.12 1.04 3.58 -1.63 -2.39 116.42 118.15 1j3x h ASP 62 Ca -0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 1j3x h ASP 62 Cb 1.26 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 1j3x h ASP 62 CO 0.08 0.58 -0.89 0.24 -2.88 0.00 0.00 179.24 176.38 1j3x h MET 63 N 0.00 0.00 0.00 0.28 2.86 -1.64 -2.99 114.93 113.44 1j3x h MET 63 Ca -0.01 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 1j3x h MET 63 Cb 1.15 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1j3x h MET 63 CO 0.08 0.81 -0.96 0.00 1.06 0.00 0.00 176.91 177.89 1j3x h ALA 64 N 1.16 0.48 0.00 6.32 0.00 -1.45 -3.28 119.26 122.49 1j3x h ALA 64 Ca -0.02 -0.85 -0.17 0.00 0.00 0.00 0.00 54.91 53.86 1j3x h ALA 64 Cb 1.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1j3x h ALA 64 CO 0.11 1.12 -0.81 -0.22 0.00 0.00 0.00 179.25 179.45 1j3x h LYS 65 N 0.00 0.00 -0.26 0.00 1.63 -1.49 -2.85 116.57 113.60 1j3x h LYS 65 Ca -0.04 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1j3x h LYS 65 Cb 1.69 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 1j3x h LYS 65 CO 0.11 0.81 0.08 1.03 -3.45 0.00 0.00 179.45 178.02 1j3x h SER 66 N 0.00 0.38 0.70 4.20 0.87 -1.59 -2.29 113.55 115.82 1j3x h SER 66 Ca -0.01 -0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 1j3x h SER 66 Cb 1.54 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 1j3x h SER 66 CO 0.10 0.48 -0.59 0.44 -0.53 0.00 0.00 176.83 176.74 1j3x h ASP 67 N 0.25 0.00 0.06 6.23 3.32 -1.64 0.12 116.42 124.76 1j3x h ASP 67 Ca 0.08 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1j3x h ASP 67 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1j3x h ASP 67 CO -0.00 0.59 -0.24 0.50 -1.72 0.00 0.00 179.24 178.36 1j3x h LYS 68 N 0.00 0.31 0.01 3.56 3.11 -1.26 -1.77 116.57 120.53 1j3x h LYS 68 Ca -0.01 -0.10 -0.35 0.00 -2.81 0.00 0.00 60.65 57.38 1j3x h LYS 68 Cb 1.10 -0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 32.24 1j3x h LYS 68 CO 0.08 0.54 -2.16 0.00 -2.81 0.00 0.00 179.45 175.10 1j3x n ALA 69 N -2.48 1.44 0.23 5.00 0.00 -0.88 -4.19 120.51 119.62 1j3x n ALA 69 Ca -0.01 -1.07 0.10 0.00 0.00 0.00 0.00 53.44 52.47 1j3x n ALA 69 Cb 0.37 -0.42 0.51 0.00 0.00 0.00 0.00 19.45 19.91 1j3x n ALA 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1j3x h ARG 70 N 0.01 0.00 -0.11 0.00 2.43 -0.74 -2.91 114.38 113.05 1j3x h ARG 70 Ca -0.46 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 1j3x h ARG 70 Cb 2.11 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.66 1j3x h ARG 70 CO 0.04 0.21 0.10 -0.92 -1.51 0.00 0.00 179.97 177.88 1j3x h TYR 71 N 0.00 0.00 -0.06 2.20 3.20 -1.48 -0.69 116.97 120.13 1j3x h TYR 71 Ca -0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1j3x h TYR 71 Cb 0.67 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1j3x h TYR 71 CO 0.00 0.00 -0.39 0.22 -1.64 0.00 0.00 178.16 176.35 1j3x h ASP 72 N 0.00 0.13 -0.84 -2.11 1.82 -1.75 -2.98 116.42 110.68 1j3x h ASP 72 Ca 0.05 -0.05 -0.57 0.00 -0.39 0.00 0.00 57.03 56.07 1j3x h ASP 72 Cb 0.24 -0.04 -0.32 0.00 0.68 0.00 0.00 39.33 39.90 1j3x h ASP 72 CO -0.00 0.51 0.17 0.54 -1.61 0.00 0.00 179.24 178.85 1j3x n ARG 73 N -4.06 2.89 0.00 0.28 1.74 -0.28 -4.23 116.66 113.01 1j3x n ARG 73 Ca -0.02 -3.57 0.00 0.00 -0.77 0.00 0.00 57.85 53.49 1j3x n ARG 73 Cb 0.44 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 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 -0.88 0.00 0.05 5.56 2.13 -1.12 -4.88 120.64 121.50 1j3x n GLU 74 Ca 0.53 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 58.14 1j3x n GLU 74 Cb 0.87 -0.43 -0.15 0.00 0.27 0.00 0.00 31.44 32.01 1j3x n GLU 74 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1j3x h MET 75 N 0.00 0.33 -6.32 5.31 4.05 -1.79 -3.47 114.93 113.04 1j3x h MET 75 Ca 0.00 -0.56 -0.54 0.00 -0.28 0.00 0.00 59.70 58.32 1j3x h MET 75 Cb 0.35 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1j3x h MET 75 CO 0.00 1.23 -0.25 0.15 0.23 0.00 0.00 176.91 178.27 1j3x s LYS 76 N -2.58 3.59 0.00 0.39 -0.14 -1.26 -5.11 119.74 114.62 1j3x s LYS 76 Ca -0.16 -0.14 0.25 0.00 -1.36 0.00 0.00 55.97 54.56 1j3x s LYS 76 Cb 0.06 -2.76 0.38 0.00 -1.68 0.00 0.00 37.83 33.83 1j3x s LYS 76 CO 0.84 0.34 1.37 -1.71 -0.76 0.00 0.00 175.35 175.42