#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 -1.23 -0.35 -5.12 0.00 -1.26 -4.99 107.32 94.37 1j3x s GLY 2 Ca 0.00 1.07 0.14 0.00 0.00 0.00 0.00 44.72 45.92 1j3x s GLY 2 CO 0.00 3.81 1.34 0.58 0.00 0.00 0.00 173.10 178.82 1j3x n LYS 3 N 5.00 1.32 0.00 2.90 2.85 -1.26 -0.47 118.16 128.51 1j3x n LYS 3 Ca 0.07 -2.03 0.00 0.00 -1.05 0.00 0.00 58.31 55.30 1j3x n LYS 3 Cb 0.56 -0.25 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 1j3x n LYS 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j3x n GLY 4 N -0.87 -1.87 0.61 2.58 0.00 -0.85 -4.94 105.19 99.84 1j3x n GLY 4 Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1j3x n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j3x n ASP 5 N 0.00 -1.20 -0.04 1.61 8.00 -0.12 -4.78 116.55 120.02 1j3x n ASP 5 Ca 0.00 0.62 -0.16 0.00 0.71 0.00 0.00 54.79 55.96 1j3x n ASP 5 Cb 0.00 1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 42.49 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 0.64 0.00 -0.24 0.13 -2.00 -3.44 132.00 127.09 1j3x h PRO 6 Ca 0.00 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j3x h PRO 6 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1j3x h PRO 6 CO 0.00 1.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.96 1j3x n ASN 7 N -4.15 0.00 -4.61 1.44 3.02 -1.26 -4.99 115.26 104.71 1j3x n ASN 7 Ca -0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 1j3x n ASN 7 Cb 0.62 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.95 3.30 1.14 3.52 1.02 -1.26 -4.96 119.74 121.55 1j3x s LYS 8 Ca 0.00 2.05 -0.19 0.00 0.02 0.00 0.00 55.97 57.85 1j3x s LYS 8 Cb 0.00 -4.32 0.27 0.00 -0.52 0.00 0.00 37.83 33.25 1j3x s LYS 8 CO 0.00 -1.91 1.17 -1.25 -0.92 0.00 0.00 175.35 172.44 1j3x s PRO 9 N 6.00 -0.77 0.63 -1.68 0.04 -1.26 -0.94 135.00 137.01 1j3x s PRO 9 Ca 0.96 -0.18 -0.17 0.00 0.04 0.00 0.00 61.00 61.66 1j3x s PRO 9 Cb -0.33 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1j3x s PRO 9 CO 0.36 -3.39 1.15 -0.98 0.04 0.00 0.00 177.00 174.18 1j3x s ARG 10 N -5.55 2.86 0.25 4.56 1.70 -1.26 -3.71 118.95 117.79 1j3x s ARG 10 Ca 0.72 1.61 -0.25 0.00 -0.47 0.00 0.00 55.73 57.34 1j3x s ARG 10 Cb -0.08 -1.94 -0.09 0.00 -0.57 0.00 0.00 34.95 32.27 1j3x s ARG 10 CO 0.55 -1.24 0.85 0.20 -1.08 0.00 0.00 175.30 174.58 1j3x s GLY 11 N -2.05 2.85 0.00 3.88 0.00 0.38 -4.90 107.32 107.48 1j3x s GLY 11 Ca 0.72 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1j3x s GLY 11 CO 0.36 0.89 0.00 0.28 0.00 0.00 0.00 173.10 174.63 1j3x n LYS 12 N 1.03 0.94 -0.52 2.90 5.02 -1.26 -5.02 118.16 121.24 1j3x n LYS 12 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1j3x n LYS 12 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 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 -0.80 0.93 -4.29 1.97 2.81 -1.26 -5.12 117.12 111.36 1j3x n MET 13 Ca 0.00 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.69 1j3x n MET 13 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.43 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 0.48 1.70 0.53 7.83 0.15 -1.26 -4.91 113.70 118.21 1j3x s SER 14 Ca 0.00 -1.76 0.18 0.00 0.70 0.00 0.00 55.95 55.07 1j3x s SER 14 Cb 0.00 0.56 1.33 0.00 -1.71 0.00 0.00 66.02 66.20 1j3x s SER 14 CO 0.00 -1.06 2.15 0.77 1.20 0.00 0.00 173.24 176.30 1j3x h SER 15 N 2.13 0.00 0.49 5.45 4.64 -1.93 -0.96 113.55 123.38 1j3x h SER 15 Ca -0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.96 1j3x h SER 15 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1j3x h SER 15 CO 0.36 0.00 -0.53 0.22 -0.87 0.00 0.00 176.83 176.01 1j3x h TYR 16 N 0.00 0.05 0.19 4.77 5.03 -1.95 -2.66 116.97 122.39 1j3x h TYR 16 Ca 0.01 -0.02 -0.32 0.00 2.58 0.00 0.00 58.73 60.99 1j3x h TYR 16 Cb 0.05 -0.01 0.02 0.00 1.55 0.00 0.00 36.73 38.34 1j3x h TYR 16 CO 0.00 0.57 -1.47 0.00 -1.32 0.00 0.00 178.16 175.94 1j3x h ALA 17 N 1.43 0.03 0.00 1.82 0.00 -1.60 -3.29 119.26 117.65 1j3x h ALA 17 Ca -0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 53.90 1j3x h ALA 17 Cb 0.95 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1j3x h ALA 17 CO 0.07 0.90 -0.23 0.74 0.00 0.00 0.00 179.25 180.73 1j3x h PHE 18 N 0.11 0.00 0.14 0.00 0.04 -1.29 -1.66 116.94 114.28 1j3x h PHE 18 Ca -0.23 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 1j3x h PHE 18 Cb 2.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.23 1j3x h PHE 18 CO 0.10 0.23 -0.07 0.35 -0.60 0.00 0.00 178.31 178.32 1j3x h PHE 19 N 0.00 -0.18 0.00 -0.55 3.57 -1.54 0.85 116.94 119.10 1j3x h PHE 19 Ca -0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1j3x h PHE 19 Cb 0.43 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1j3x h PHE 19 CO 0.00 -0.05 -0.57 0.28 -2.23 0.00 0.00 178.31 175.74 1j3x h VAL 20 N -0.26 1.37 -0.23 1.41 2.07 -1.63 -0.57 116.25 118.42 1j3x h VAL 20 Ca -0.02 -1.96 -0.14 0.00 0.82 0.00 0.00 66.70 65.40 1j3x h VAL 20 Cb 0.20 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1j3x h VAL 20 CO 0.03 0.55 -0.45 -0.61 0.02 0.00 0.00 177.57 177.12 1j3x h GLN 21 N 0.00 0.57 0.00 1.57 -0.00 -1.01 0.04 115.11 116.28 1j3x h GLN 21 Ca -0.01 -0.31 -0.23 0.00 -0.00 0.00 0.00 58.65 58.10 1j3x h GLN 21 Cb 1.02 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.48 1j3x h GLN 21 CO 0.07 0.90 -1.26 1.15 0.00 0.00 0.00 178.83 179.70 1j3x h THR 22 N 0.46 1.26 0.00 2.39 2.02 -0.72 -3.20 112.91 115.12 1j3x h THR 22 Ca 0.03 -2.99 -0.19 0.00 0.77 0.00 0.00 66.41 64.03 1j3x h THR 22 Cb 0.96 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.96 1j3x h THR 22 CO 0.09 0.72 -0.91 0.28 0.37 0.00 0.00 175.52 176.06 1j3x h SER 23 N 0.00 0.00 -0.24 4.18 0.02 -1.04 -3.14 113.55 113.32 1j3x h SER 23 Ca -0.12 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 1j3x h SER 23 Cb 1.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.37 1j3x h SER 23 CO 0.10 0.91 -0.50 -0.09 -1.14 0.00 0.00 176.83 176.11 1j3x h ARG 24 N 0.00 0.77 -0.25 3.45 1.12 -1.08 -2.83 114.38 115.56 1j3x h ARG 24 Ca -0.01 -0.50 -0.04 0.00 -1.11 0.00 0.00 59.98 58.31 1j3x h ARG 24 Cb 1.65 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.66 1j3x h ARG 24 CO 0.12 1.13 -0.04 0.93 -3.11 0.00 0.00 179.97 179.00 1j3x h GLU 25 N 0.51 0.39 0.00 0.20 5.08 -1.62 -1.52 114.58 117.62 1j3x h GLU 25 Ca 0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1j3x h GLU 25 Cb 1.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1j3x h GLU 25 CO 0.11 0.45 0.00 -1.91 -1.00 0.00 0.00 179.01 176.66 1j3x n GLU 26 N -4.30 0.12 -0.41 2.33 2.13 -1.16 -3.13 120.64 116.22 1j3x n GLU 26 Ca 0.01 0.17 0.04 0.00 0.66 0.00 0.00 57.16 58.04 1j3x n GLU 26 Cb 0.24 -1.66 0.21 0.00 0.27 0.00 0.00 31.44 30.49 1j3x n GLU 26 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1j3x n HIS 27 N -1.88 0.96 -1.13 4.31 -0.00 -0.57 -3.99 115.22 112.93 1j3x n HIS 27 Ca 0.05 -0.35 0.05 0.00 0.46 0.00 0.00 57.72 57.93 1j3x n HIS 27 Cb 0.33 -0.24 0.23 0.00 -0.12 0.00 0.00 29.99 30.20 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 0.42 2.51 -0.03 1.57 3.00 -1.18 -4.20 118.16 120.24 1j3x n LYS 28 Ca 0.14 -2.92 -0.03 0.00 -0.00 0.00 0.00 58.31 55.50 1j3x n LYS 28 Cb 0.65 -1.82 -0.04 0.00 0.00 0.00 0.00 35.03 33.81 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1j3x n LYS 29 N -0.75 2.87 -1.06 1.64 5.02 -1.26 -4.72 118.16 119.89 1j3x n LYS 29 Ca 0.25 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.57 1j3x n LYS 29 Cb 0.93 -1.14 0.13 0.00 -0.02 0.00 0.00 35.03 34.93 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 -2.24 1.28 -3.22 1.97 2.85 -1.26 -4.90 118.16 112.63 1j3x n LYS 30 Ca -0.09 -2.99 -0.21 0.00 -1.05 0.00 0.00 58.31 53.97 1j3x n LYS 30 Cb 0.67 -1.19 -0.07 0.00 -0.65 0.00 0.00 35.03 33.80 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 -2.32 0.32 -0.07 5.58 3.76 -1.26 -4.99 115.29 116.30 1j3x s HIS 31 Ca 0.37 -1.83 -0.26 0.00 -0.15 0.00 0.00 55.06 53.20 1j3x s HIS 31 Cb 0.38 -0.56 -0.21 0.00 1.11 0.00 0.00 32.58 33.29 1j3x s HIS 31 CO -0.09 -0.96 1.02 -1.00 -0.85 0.00 0.00 174.74 172.87 1j3x h PRO 32 N 5.47 -0.03 -2.11 8.40 0.13 -1.90 -3.38 132.00 138.58 1j3x h PRO 32 Ca 0.21 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.78 1j3x h PRO 32 Cb 0.97 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.69 1j3x h PRO 32 CO 0.27 0.61 -0.77 -3.47 -0.23 0.00 0.00 178.00 174.42 1j3x n ASP 33 N -4.78 3.79 -0.01 1.44 2.03 -1.26 -4.76 116.55 112.98 1j3x n ASP 33 Ca -0.09 -3.54 0.03 0.00 0.52 0.00 0.00 54.79 51.71 1j3x n ASP 33 Cb 0.33 -0.56 -0.08 0.00 -0.72 0.00 0.00 41.12 40.09 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1j3x n SER 34 N -0.18 2.76 -2.74 1.67 2.88 -1.26 -5.09 113.62 111.65 1j3x n SER 34 Ca 0.30 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.81 1j3x n SER 34 Cb 0.48 1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 65.19 1j3x n SER 34 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j3x n SER 35 N -1.96 -3.18 -4.08 -3.46 7.64 -1.26 -4.91 113.62 102.41 1j3x n SER 35 Ca -0.05 1.24 -0.38 0.00 1.01 0.00 0.00 58.87 60.69 1j3x n SER 35 Cb 0.38 -4.38 -0.04 0.00 -1.01 0.00 0.00 64.21 59.16 1j3x n SER 35 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1j3x n VAL 36 N 1.72 3.66 -0.08 0.44 3.14 -1.26 -5.03 118.33 120.92 1j3x n VAL 36 Ca -0.26 -5.31 -0.10 0.00 -2.96 0.00 0.00 64.34 55.70 1j3x n VAL 36 Cb 0.43 -2.35 0.10 0.00 -1.06 0.00 0.00 33.84 30.96 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 2.09 -2.72 -0.03 6.55 5.15 -1.26 -4.77 115.26 120.28 1j3x n ASN 37 Ca 0.24 -0.30 -0.15 0.00 -0.60 0.00 0.00 54.58 53.76 1j3x n ASN 37 Cb 0.37 -0.35 -0.12 0.00 -0.53 0.00 0.00 39.78 39.16 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 -2.55 0.25 -0.34 1.20 0.04 -1.98 -3.11 116.94 110.44 1j3x h PHE 38 Ca -0.14 -0.14 -0.17 0.00 2.80 0.00 0.00 57.97 60.33 1j3x h PHE 38 Cb 0.46 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 1j3x h PHE 38 CO 0.00 0.95 -0.44 0.00 -0.60 0.00 0.00 178.31 178.22 1j3x h ALA 39 N 0.24 0.56 0.00 2.45 0.00 -1.96 1.32 119.26 121.87 1j3x h ALA 39 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j3x h ALA 39 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1j3x h ALA 39 CO 0.05 0.68 0.00 0.93 0.00 0.00 0.00 179.25 180.91 1j3x h GLU 40 N 0.71 0.00 0.00 0.00 4.39 -1.92 -2.51 114.58 115.26 1j3x h GLU 40 Ca 0.05 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1j3x h GLU 40 Cb 1.03 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 -1.34 0.34 -1.16 0.00 0.00 179.01 176.95 1j3x n PHE 41 N -2.60 0.00 0.26 4.33 7.35 -1.01 -4.60 117.46 121.18 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 -0.23 0.90 0.00 0.35 0.00 0.00 39.48 40.61 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 -0.14 0.00 0.41 -2.13 4.64 0.17 0.12 113.55 116.62 1j3x h SER 42 Ca -0.15 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 1j3x h SER 42 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1j3x h SER 42 CO -0.07 0.00 -0.40 0.11 -0.87 0.00 0.00 176.83 175.61 1j3x h LYS 43 N 0.00 0.00 0.04 4.77 1.79 -1.62 -1.45 116.57 120.11 1j3x h LYS 43 Ca 0.06 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.21 1j3x h LYS 43 Cb 0.45 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1j3x h LYS 43 CO -0.00 0.40 -1.77 1.63 -1.08 0.00 0.00 179.45 178.62 1j3x n LYS 44 N -4.04 0.64 0.25 3.15 4.76 0.33 -3.70 118.16 119.55 1j3x n LYS 44 Ca -0.02 0.40 0.08 0.00 -2.87 0.00 0.00 58.31 55.90 1j3x n LYS 44 Cb 0.43 -1.68 0.62 0.00 -1.84 0.00 0.00 35.03 32.56 1j3x n LYS 44 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j3x h SER 46 N 0.00 0.34 0.55 0.00 4.64 -1.42 0.59 113.55 118.25 1j3x h SER 46 Ca -0.00 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 60.97 1j3x h SER 46 Cb 0.12 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1j3x h SER 46 CO 0.01 0.90 -0.64 -0.33 -0.87 0.00 0.00 176.83 175.90 1j3x h GLU 47 N 0.21 0.09 0.12 4.77 4.39 -1.36 -2.28 114.58 120.51 1j3x h GLU 47 Ca -0.01 -0.06 -0.36 0.00 0.34 0.00 0.00 59.36 59.27 1j3x h GLU 47 Cb 1.19 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1j3x h GLU 47 CO 0.11 0.70 -1.94 -0.09 -1.16 0.00 0.00 179.01 176.62 1j3x h ARG 48 N 0.06 0.25 -0.13 2.33 2.43 -1.28 -3.22 114.38 114.82 1j3x h ARG 48 Ca -0.01 -0.42 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1j3x h ARG 48 Cb 1.14 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1j3x h ARG 48 CO 0.09 1.14 0.07 2.35 -1.51 0.00 0.00 179.97 182.11 1j3x h TRP 49 N 0.07 0.17 0.00 2.20 2.91 0.15 0.87 115.95 122.31 1j3x h TRP 49 Ca -0.40 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.58 1j3x h TRP 49 Cb 2.04 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 30.63 1j3x h TRP 49 CO 0.07 0.18 -0.18 0.87 -1.03 0.00 0.00 178.44 178.34 1j3x h LYS 50 N 0.12 0.00 -0.03 2.65 1.57 -1.58 -2.43 116.57 116.87 1j3x h LYS 50 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1j3x h LYS 50 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1j3x h LYS 50 CO -0.01 0.18 -0.06 0.25 -0.57 0.00 0.00 179.45 179.25 1j3x n THR 51 N -3.80 0.00 -0.71 -0.16 -2.24 -0.87 -4.99 114.28 101.51 1j3x n THR 51 Ca -0.02 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1j3x n THR 51 Cb 0.29 1.45 0.19 0.00 -2.10 0.00 0.00 70.33 70.15 1j3x n THR 51 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1j3x s MET 52 N -1.96 0.51 0.58 -0.78 -1.94 0.30 -5.01 119.30 111.00 1j3x s MET 52 Ca 0.25 1.27 -0.04 0.00 -1.71 0.00 0.00 55.69 55.47 1j3x s MET 52 Cb 0.19 -1.69 0.02 0.00 2.01 0.00 0.00 34.83 35.36 1j3x s MET 52 CO 0.32 -2.89 0.87 0.45 -0.01 0.00 0.00 175.02 173.75 1j3x s SER 53 N -2.71 5.41 0.58 3.03 0.15 -1.26 -4.87 113.70 114.03 1j3x s SER 53 Ca 0.67 0.46 0.37 0.00 0.70 0.00 0.00 55.95 58.15 1j3x s SER 53 Cb -0.23 -1.40 1.68 0.00 -1.71 0.00 0.00 66.02 64.35 1j3x s SER 53 CO 0.60 -1.13 2.10 0.00 1.20 0.00 0.00 173.24 176.00 1j3x h ALA 54 N -0.13 1.00 -0.00 5.45 0.00 -1.96 -0.01 119.26 123.60 1j3x h ALA 54 Ca -0.45 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1j3x h ALA 54 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1j3x h ALA 54 CO 0.59 0.00 -0.71 0.87 0.00 0.00 0.00 179.25 179.99 1j3x h LYS 55 N 0.00 0.03 0.02 0.00 1.57 -1.99 -1.66 116.57 114.54 1j3x h LYS 55 Ca 0.00 -0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 58.40 1j3x h LYS 55 Cb 0.36 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1j3x h LYS 55 CO 0.00 0.73 -2.19 0.39 -0.57 0.00 0.00 179.45 177.82 1j3x n GLU 56 N -3.71 0.68 0.19 3.15 1.02 -0.96 -4.15 120.64 116.86 1j3x n GLU 56 Ca -0.01 0.15 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 1j3x n GLU 56 Cb 0.70 -1.62 0.29 0.00 -0.02 0.00 0.00 31.44 30.79 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 0.01 0.00 0.00 3.49 1.57 -1.08 -3.07 116.57 117.49 1j3x h LYS 57 Ca -0.47 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.19 1j3x h LYS 57 Cb 2.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.36 1j3x h LYS 57 CO 0.02 0.36 -0.54 0.66 -0.57 0.00 0.00 179.45 179.38 1j3x h SER 58 N 0.00 0.00 0.16 0.86 4.64 -1.47 -1.94 113.55 115.80 1j3x h SER 58 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1j3x h SER 58 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1j3x h SER 58 CO 0.05 0.54 -0.13 0.50 -0.87 0.00 0.00 176.83 176.91 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.69 -1.72 116.57 121.57 1j3x h LYS 59 Ca -0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 1j3x h LYS 59 Cb 0.99 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1j3x h LYS 59 CO 0.07 0.13 -1.97 1.19 -2.27 0.00 0.00 179.45 176.60 1j3x n PHE 60 N -4.24 0.53 0.17 1.91 3.72 -1.11 -3.45 117.46 114.99 1j3x n PHE 60 Ca -0.03 0.19 0.02 0.00 -0.05 0.00 0.00 57.45 57.58 1j3x n PHE 60 Cb 0.21 -1.06 0.28 0.00 -0.94 0.00 0.00 39.48 37.97 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 -1.04 -2.02 114.58 114.82 1j3x h GLU 61 Ca -0.36 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.12 1j3x h GLU 61 Cb 2.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.62 1j3x h GLU 61 CO 0.05 0.48 -1.30 0.22 -1.16 0.00 0.00 179.01 177.30 1j3x h ASP 62 N 0.00 0.00 1.03 1.42 1.82 -1.48 -3.07 116.42 116.14 1j3x h ASP 62 Ca -0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.47 1j3x h ASP 62 Cb 0.90 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.88 1j3x h ASP 62 CO 0.06 0.81 -0.77 0.24 -1.61 0.00 0.00 179.24 177.97 1j3x h MET 63 N 0.00 0.00 0.20 0.28 2.86 -1.56 -2.67 114.93 114.04 1j3x h MET 63 Ca -0.15 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.22 1j3x h MET 63 Cb 1.75 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.44 1j3x h MET 63 CO 0.08 0.77 -1.21 0.00 1.06 0.00 0.00 176.91 177.62 1j3x h ALA 64 N 1.23 -0.11 0.00 6.32 0.00 -1.48 -3.27 119.26 121.95 1j3x h ALA 64 Ca -0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 1j3x h ALA 64 Cb 1.50 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1j3x h ALA 64 CO 0.10 0.58 -0.43 -0.22 0.00 0.00 0.00 179.25 179.28 1j3x h LYS 65 N -0.10 0.00 -0.48 0.00 3.11 -1.62 -0.98 116.57 116.50 1j3x h LYS 65 Ca -0.21 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.57 1j3x h LYS 65 Cb 1.92 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.13 1j3x h LYS 65 CO 0.21 0.43 0.08 1.03 -2.81 0.00 0.00 179.45 178.39 1j3x h SER 66 N 0.00 0.69 0.67 4.20 0.87 -1.55 -2.88 113.55 115.56 1j3x h SER 66 Ca -0.00 -0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 60.19 1j3x h SER 66 Cb 0.77 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 1j3x h SER 66 CO 0.06 0.71 -1.46 0.44 -0.53 0.00 0.00 176.83 176.04 1j3x h ASP 67 N 0.71 0.00 0.02 6.23 3.32 -1.56 -3.33 116.42 121.82 1j3x h ASP 67 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1j3x h ASP 67 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1j3x h ASP 67 CO 0.00 0.87 -0.02 0.50 -1.72 0.00 0.00 179.24 178.88 1j3x h LYS 68 N 0.00 0.00 0.00 3.56 3.64 -0.97 -1.28 116.57 121.51 1j3x h LYS 68 Ca -0.20 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.04 1j3x h LYS 68 Cb 1.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.64 1j3x h LYS 68 CO 0.08 0.02 -0.69 0.00 -2.27 0.00 0.00 179.45 176.59 1j3x h ALA 69 N 1.98 0.78 0.00 5.00 0.00 -1.63 -3.09 119.26 122.31 1j3x h ALA 69 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1j3x h ALA 69 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1j3x h ALA 69 CO 0.00 0.86 -0.05 -0.09 0.00 0.00 0.00 179.25 179.97 1j3x h ARG 70 N 0.00 0.00 -0.02 0.00 9.65 -1.38 -1.78 114.38 120.84 1j3x h ARG 70 Ca -0.01 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1j3x h ARG 70 Cb 1.28 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.86 1j3x h ARG 70 CO 0.09 0.05 0.02 -0.92 2.80 0.00 0.00 179.97 182.01 1j3x h TYR 71 N 0.00 0.00 0.04 2.20 5.03 -1.59 -1.80 116.97 120.85 1j3x h TYR 71 Ca -0.00 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 61.05 1j3x h TYR 71 Cb 0.12 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 1j3x h TYR 71 CO 0.00 0.00 -1.35 0.22 -1.32 0.00 0.00 178.16 175.71 1j3x h ASP 72 N 0.00 0.13 -1.19 -2.11 3.58 -1.52 -3.34 116.42 111.97 1j3x h ASP 72 Ca 0.01 -0.17 -0.67 0.00 0.42 0.00 0.00 57.03 56.61 1j3x h ASP 72 Cb 0.05 -0.04 -0.27 0.00 1.72 0.00 0.00 39.33 40.78 1j3x h ASP 72 CO -0.00 1.14 0.88 0.54 -2.88 0.00 0.00 179.24 178.93 1j3x n ARG 73 N -3.31 2.64 0.00 0.28 5.12 -0.70 -4.29 116.66 116.40 1j3x n ARG 73 Ca -0.10 -3.21 0.00 0.00 -1.93 0.00 0.00 57.85 52.62 1j3x n ARG 73 Cb 1.00 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 -0.71 0.00 0.10 5.56 2.13 -1.07 -4.83 120.64 121.83 1j3x n GLU 74 Ca 0.58 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 58.18 1j3x n GLU 74 Cb 0.55 -0.78 -0.15 0.00 0.27 0.00 0.00 31.44 31.33 1j3x n GLU 74 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1j3x h MET 75 N 0.00 0.43 -3.23 5.31 2.86 -1.76 -3.47 114.93 115.07 1j3x h MET 75 Ca 0.00 -0.74 -0.16 0.00 -2.06 0.00 0.00 59.70 56.73 1j3x h MET 75 Cb 0.70 0.28 -0.25 0.00 0.06 0.00 0.00 31.60 32.39 1j3x h MET 75 CO 0.00 1.34 -0.45 -1.59 1.06 0.00 0.00 176.91 177.27 1j3x s LYS 76 N -2.60 0.32 0.00 1.72 -2.85 -1.26 -5.20 119.74 109.87 1j3x s LYS 76 Ca -0.12 0.18 0.22 0.00 -1.00 0.00 0.00 55.97 55.25 1j3x s LYS 76 Cb 0.05 0.15 0.17 0.00 -2.06 0.00 0.00 37.83 36.14 1j3x s LYS 76 CO 0.89 -0.05 1.19 0.09 0.10 0.00 0.00 175.35 177.57