#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3c h LYS 2 N 0.00 0.00 -5.86 2.12 6.56 -2.11 -3.43 116.57 113.85 1j3c h LYS 2 Ca 0.00 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.04 1j3c h LYS 2 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1j3c h LYS 2 CO 0.00 0.25 1.55 1.17 -2.06 0.00 0.00 179.45 180.36 1j3c n LYS 3 N -4.67 1.65 0.00 3.15 4.81 -1.26 -4.88 118.16 116.96 1j3c n LYS 3 Ca -0.07 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1j3c n LYS 3 Cb 0.22 -3.31 0.00 0.00 0.02 0.00 0.00 35.03 31.96 1j3c n LYS 3 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3c n LYS 4 N 8.85 0.00 -3.81 1.64 5.02 -1.26 -4.98 118.16 123.62 1j3c n LYS 4 Ca 0.32 0.32 -0.08 0.00 -2.02 0.00 0.00 58.31 56.85 1j3c n LYS 4 Cb 0.48 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j3c s ASP 5 N -2.01 -0.28 -0.04 4.39 1.01 -1.26 -5.02 116.67 113.45 1j3c s ASP 5 Ca 0.00 -0.55 -0.26 0.00 0.71 0.00 0.00 52.55 52.45 1j3c s ASP 5 Cb 0.00 0.69 -0.21 0.00 1.01 0.00 0.00 42.92 44.40 1j3c s ASP 5 CO 0.00 -1.25 1.13 1.55 0.21 0.00 0.00 175.17 176.81 1j3c h PRO 6 N 2.04 0.07 0.00 8.23 0.13 -2.04 -3.21 132.00 137.23 1j3c h PRO 6 Ca -0.22 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1j3c h PRO 6 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1j3c h PRO 6 CO 0.27 0.70 0.00 0.09 -0.23 0.00 0.00 178.00 178.83 1j3c n ASN 7 N -4.71 0.00 -4.80 1.44 4.13 -1.26 -4.80 115.26 105.27 1j3c n ASN 7 Ca -0.09 0.23 -0.37 0.00 1.68 0.00 0.00 54.58 56.03 1j3c n ASN 7 Cb 0.36 -0.40 -0.06 0.00 -1.54 0.00 0.00 39.78 38.13 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j3c s ALA 8 N -2.81 3.41 -0.79 5.41 0.00 -1.21 -4.96 121.76 120.80 1j3c s ALA 8 Ca 0.19 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 1j3c s ALA 8 Cb 0.18 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1j3c s ALA 8 CO 0.47 0.31 1.87 -1.25 0.00 0.00 0.00 175.76 177.16 1j3c s PRO 9 N -1.74 2.64 0.31 0.00 0.04 -1.26 -4.71 135.00 130.28 1j3c s PRO 9 Ca 0.41 0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 1j3c s PRO 9 Cb -0.19 -4.79 0.08 0.00 0.04 0.00 0.00 34.50 29.65 1j3c s PRO 9 CO 0.22 -3.04 0.25 1.63 0.04 0.00 0.00 177.00 176.10 1j3c n LYS 10 N 9.00 -1.85 -1.64 4.56 5.02 -1.26 -4.87 118.16 127.12 1j3c n LYS 10 Ca 0.31 -0.40 -0.45 0.00 -2.02 0.00 0.00 58.31 55.74 1j3c n LYS 10 Cb 0.49 -0.41 -0.03 0.00 -0.02 0.00 0.00 35.03 35.06 1j3c n LYS 10 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j3c n ARG 11 N -2.48 1.70 -2.43 1.97 1.74 -1.26 -4.90 116.66 111.00 1j3c n ARG 11 Ca 0.04 0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 1j3c n ARG 11 Cb 0.14 -2.15 -0.03 0.00 -1.02 0.00 0.00 32.46 29.40 1j3c n ARG 11 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j3c s PRO 12 N -0.81 4.41 0.85 5.56 0.04 -1.26 -5.03 135.00 138.77 1j3c s PRO 12 Ca 0.66 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 1j3c s PRO 12 Cb -0.70 -3.40 0.14 0.00 0.04 0.00 0.00 34.50 30.57 1j3c s PRO 12 CO 0.54 -0.30 1.20 -1.25 0.04 0.00 0.00 177.00 177.22 1j3c s PRO 13 N 1.34 1.37 -0.47 0.56 0.04 -1.26 -5.07 135.00 131.52 1j3c s PRO 13 Ca 0.58 -0.32 0.06 0.00 0.04 0.00 0.00 61.00 61.36 1j3c s PRO 13 Cb -0.28 -1.98 0.26 0.00 0.04 0.00 0.00 34.50 32.54 1j3c s PRO 13 CO 0.28 -1.89 0.90 0.45 0.04 0.00 0.00 177.00 176.77 1j3c n SER 14 N -3.40 -2.32 0.00 6.66 2.88 -1.26 -4.70 113.62 111.47 1j3c n SER 14 Ca 0.12 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 1j3c n SER 14 Cb 0.60 1.51 0.00 0.00 -0.75 0.00 0.00 64.21 65.57 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3c n ALA 15 N 1.29 0.00 -0.29 -1.46 0.00 -1.25 -4.05 120.51 114.76 1j3c n ALA 15 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 1j3c n ALA 15 Cb 0.64 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.34 1j3c n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1j3c h PHE 16 N 0.00 0.51 0.00 0.00 3.57 -1.96 0.66 116.94 119.71 1j3c h PHE 16 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1j3c h PHE 16 Cb 0.00 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1j3c h PHE 16 CO 0.00 -0.06 -0.13 0.35 -2.23 0.00 0.00 178.31 176.24 1j3c h PHE 17 N 0.36 0.00 0.00 0.41 3.04 -1.95 -1.70 116.94 117.09 1j3c h PHE 17 Ca 0.50 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 62.22 1j3c h PHE 17 Cb 0.92 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.39 1j3c h PHE 17 CO -0.19 0.13 -1.52 -0.07 -2.02 0.00 0.00 178.31 174.64 1j3c h LEU 18 N 0.00 0.00 0.07 0.59 3.38 -0.15 -3.18 115.31 116.02 1j3c h LEU 18 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j3c h LEU 18 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1j3c h LEU 18 CO 0.02 0.84 -0.03 0.15 0.09 0.00 0.00 178.44 179.50 1j3c h PHE 19 N 0.00 -0.09 -0.46 1.13 3.04 -0.22 -2.94 116.94 117.40 1j3c h PHE 19 Ca -0.22 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.69 1j3c h PHE 19 Cb 1.83 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.35 1j3c h PHE 19 CO 0.00 0.40 0.13 0.00 -2.02 0.00 0.00 178.31 176.82 1j3c h SER 21 N 0.67 0.00 0.00 0.00 0.87 -1.65 -2.76 113.55 110.68 1j3c h SER 21 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1j3c h SER 21 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1j3c h SER 21 CO -0.01 0.00 -1.18 -0.62 -0.53 0.00 0.00 176.83 174.49 1j3c n GLU 22 N -3.05 1.19 -0.00 2.24 -0.58 -0.71 -4.63 120.64 115.10 1j3c n GLU 22 Ca 0.01 -0.06 -0.11 0.00 -0.42 0.00 0.00 57.16 56.57 1j3c n GLU 22 Cb 0.29 -1.15 -0.14 0.00 -0.57 0.00 0.00 31.44 29.88 1j3c n GLU 22 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1j3c h TYR 23 N 0.00 0.12 -0.44 -0.32 -1.99 -0.18 -3.38 116.97 110.78 1j3c h TYR 23 Ca 0.00 -0.09 0.09 0.00 2.00 0.00 0.00 58.73 60.73 1j3c h TYR 23 Cb 0.37 -0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.00 1j3c h TYR 23 CO 0.00 1.17 -0.23 0.00 -0.00 0.00 0.00 178.16 179.10 1j3c h ARG 24 N 0.02 -0.13 -0.04 4.88 3.08 -1.70 0.24 114.38 120.72 1j3c h ARG 24 Ca -0.29 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.78 1j3c h ARG 24 Cb 2.00 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.08 1j3c h ARG 24 CO 0.09 -0.09 0.03 -1.00 -1.07 0.00 0.00 179.97 177.93 1j3c h PRO 25 N -0.14 0.00 -0.14 0.04 0.13 -1.86 -0.73 132.00 129.31 1j3c h PRO 25 Ca 0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1j3c h PRO 25 Cb 0.47 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1j3c h PRO 25 CO -0.53 0.00 -0.14 -0.22 -0.23 0.00 0.00 178.00 176.88 1j3c h LYS 26 N 0.00 0.34 -0.63 0.86 3.11 -0.79 -2.89 116.57 116.57 1j3c h LYS 26 Ca 0.02 -0.18 0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1j3c h LYS 26 Cb 0.08 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.28 1j3c h LYS 26 CO -0.00 0.73 0.42 0.82 -2.81 0.00 0.00 179.45 178.61 1j3c h ILE 27 N -0.05 0.95 -0.32 2.00 1.08 0.39 -2.19 117.51 119.38 1j3c h ILE 27 Ca 0.02 -0.18 -0.16 0.00 -0.39 0.00 0.00 64.86 64.15 1j3c h ILE 27 Cb 0.67 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1j3c h ILE 27 CO 0.03 0.10 -0.44 0.11 -0.69 0.00 0.00 178.15 177.27 1j3c h LYS 28 N 0.54 0.83 -0.10 2.37 1.79 -1.20 1.02 116.57 121.83 1j3c h LYS 28 Ca 0.28 -0.46 0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1j3c h LYS 28 Cb 0.41 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1j3c h LYS 28 CO -0.09 1.09 0.11 1.03 -1.08 0.00 0.00 179.45 180.51 1j3c h SER 29 N 0.66 0.00 0.00 0.86 0.87 -1.19 -3.00 113.55 111.75 1j3c h SER 29 Ca 0.04 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1j3c h SER 29 Cb 1.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 1j3c h SER 29 CO 0.10 0.00 -1.24 -0.62 -0.53 0.00 0.00 176.83 174.54 1j3c n GLU 30 N -3.86 1.50 -3.99 2.24 -0.58 -1.13 -4.90 120.64 109.92 1j3c n GLU 30 Ca -0.01 -0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.40 1j3c n GLU 30 Cb 0.21 -1.11 -0.15 0.00 -0.57 0.00 0.00 31.44 29.83 1j3c n GLU 30 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1j3c s HIS 31 N -2.22 3.55 0.20 -0.32 3.76 0.35 -4.94 115.29 115.67 1j3c s HIS 31 Ca -0.02 -3.07 0.10 0.00 -0.15 0.00 0.00 55.06 51.92 1j3c s HIS 31 Cb 0.02 -2.89 0.17 0.00 1.11 0.00 0.00 32.58 30.99 1j3c s HIS 31 CO 0.18 -0.87 1.50 -1.00 -0.85 0.00 0.00 174.74 173.70 1j3c h PRO 32 N 7.19 0.00 0.00 8.40 0.13 -1.80 -3.08 132.00 142.85 1j3c h PRO 32 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1j3c h PRO 32 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1j3c h PRO 32 CO 0.58 0.73 -0.22 0.78 -0.23 0.00 0.00 178.00 179.65 1j3c h GLY 33 N 2.31 0.00 -7.14 1.56 0.00 -1.92 -3.43 103.07 94.46 1j3c h GLY 33 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1j3c h GLY 33 CO 0.09 0.00 0.09 1.04 0.00 0.00 0.00 176.54 177.77 1j3c n LEU 34 N -2.39 1.20 0.00 3.11 7.99 -1.16 -4.91 117.00 120.84 1j3c n LEU 34 Ca 0.04 -2.16 -0.28 0.00 -0.01 0.00 0.00 56.01 53.60 1j3c n LEU 34 Cb 0.46 -1.64 0.23 0.00 -0.11 0.00 0.00 43.42 42.36 1j3c n LEU 34 CO 0.33 -3.30 0.57 -1.20 -1.51 0.00 0.00 177.39 172.28 1j3c n SER 35 N 18.69 -2.00 -0.26 -1.43 7.64 -1.26 -4.32 113.62 130.68 1j3c n SER 35 Ca 0.41 -1.13 0.06 0.00 1.01 0.00 0.00 58.87 59.22 1j3c n SER 35 Cb 0.46 -0.94 0.29 0.00 -1.01 0.00 0.00 64.21 63.01 1j3c n SER 35 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1j3c h ILE 36 N -2.64 1.02 0.74 0.44 1.08 -1.96 0.82 117.51 117.01 1j3c h ILE 36 Ca -0.38 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 1j3c h ILE 36 Cb 1.17 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1j3c h ILE 36 CO 0.25 0.16 -0.47 1.23 -0.69 0.00 0.00 178.15 178.63 1j3c h GLY 37 N 0.90 -1.28 1.06 5.37 0.00 -1.97 0.26 103.07 107.41 1j3c h GLY 37 Ca 0.38 0.53 -0.11 0.00 0.00 0.00 0.00 47.33 48.12 1j3c h GLY 37 CO -0.14 -0.43 -0.16 -0.55 0.00 0.00 0.00 176.54 175.26 1j3c h ASP 38 N -1.14 0.94 -0.02 0.19 3.32 -1.80 -1.81 116.42 116.10 1j3c h ASP 38 Ca -0.10 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1j3c h ASP 38 Cb 0.92 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 1j3c h ASP 38 CO 0.09 1.10 0.01 0.74 -1.72 0.00 0.00 179.24 179.46 1j3c h THR 39 N 0.76 0.69 0.02 0.35 2.02 0.82 0.64 112.91 118.20 1j3c h THR 39 Ca 0.11 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 1j3c h THR 39 Cb 0.72 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1j3c h THR 39 CO 0.05 0.00 -0.59 0.00 0.37 0.00 0.00 175.52 175.36 1j3c h ALA 40 N 1.99 0.10 0.00 6.16 0.00 -0.09 -3.26 119.26 124.15 1j3c h ALA 40 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1j3c h ALA 40 Cb 0.04 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1j3c h ALA 40 CO -0.00 0.33 -0.07 0.36 0.00 0.00 0.00 179.25 179.86 1j3c n LYS 41 N -4.47 0.13 -0.05 0.00 2.85 -0.72 -3.55 118.16 112.36 1j3c n LYS 41 Ca -0.19 0.10 -0.01 0.00 -1.05 0.00 0.00 58.31 57.15 1j3c n LYS 41 Cb 0.60 -1.64 -0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1j3c n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1j3c h LYS 42 N 0.00 0.00 -0.35 -1.58 1.63 0.13 -3.31 116.57 113.09 1j3c h LYS 42 Ca 0.00 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1j3c h LYS 42 Cb 0.62 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1j3c h LYS 42 CO 0.00 0.00 0.47 -0.07 -3.45 0.00 0.00 179.45 176.40 1j3c h LEU 43 N -0.84 0.00 -0.45 5.20 3.38 -1.72 0.48 115.31 121.36 1j3c h LEU 43 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1j3c h LEU 43 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1j3c h LEU 43 CO 0.00 0.00 -0.32 1.23 0.09 0.00 0.00 178.44 179.44 1j3c h GLY 44 N 0.00 1.03 1.09 0.83 0.00 -1.68 -2.75 103.07 101.59 1j3c h GLY 44 Ca 0.17 -1.00 0.09 0.00 0.00 0.00 0.00 47.33 46.59 1j3c h GLY 44 CO -0.00 0.90 0.40 -2.09 0.00 0.00 0.00 176.54 175.75 1j3c h GLU 45 N 0.79 0.43 0.03 4.80 4.81 -0.98 -2.64 114.58 121.82 1j3c h GLU 45 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1j3c h GLU 45 Cb 0.90 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1j3c h GLU 45 CO 0.08 0.28 -0.01 0.52 -0.73 0.00 0.00 179.01 179.15 1j3c h MET 46 N 0.44 -0.03 -1.03 1.92 2.86 -1.57 -2.72 114.93 114.79 1j3c h MET 46 Ca 0.27 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 58.18 1j3c h MET 46 Cb 0.48 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.02 1j3c h MET 46 CO -0.08 0.67 0.62 2.35 1.06 0.00 0.00 176.91 181.53 1j3c h TRP 47 N -0.83 0.90 0.00 -0.22 2.91 -1.19 0.23 115.95 117.76 1j3c h TRP 47 Ca -0.00 0.03 -0.16 0.00 1.13 0.00 0.00 58.89 59.89 1j3c h TRP 47 Cb 0.72 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 1j3c h TRP 47 CO 0.18 0.01 -0.86 1.03 -1.03 0.00 0.00 178.44 177.77 1j3c h SER 48 N 0.47 0.00 -0.63 2.65 0.87 -1.57 -3.31 113.55 112.03 1j3c h SER 48 Ca 0.66 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.17 1j3c h SER 48 Cb 1.43 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1j3c h SER 48 CO -0.45 0.71 0.23 -0.33 -0.53 0.00 0.00 176.83 176.46 1j3c h GLU 49 N 0.00 0.96 -7.27 2.24 5.08 -0.22 -3.43 114.58 111.93 1j3c h GLU 49 Ca -0.04 -0.19 -0.45 0.00 -1.00 0.00 0.00 59.36 57.68 1j3c h GLU 49 Cb 1.58 -0.15 0.18 0.00 0.50 0.00 0.00 28.75 30.86 1j3c h GLU 49 CO 0.09 0.83 0.12 1.14 -1.00 0.00 0.00 179.01 180.18 1j3c s GLN 50 N -5.48 -0.14 -0.28 2.33 -2.07 -0.88 -5.06 119.66 108.08 1j3c s GLN 50 Ca -0.13 0.65 -0.00 0.00 -1.82 0.00 0.00 55.36 54.07 1j3c s GLN 50 Cb 0.13 -1.66 0.17 0.00 -1.09 0.00 0.00 33.01 30.56 1j3c s GLN 50 CO 0.81 -3.15 0.49 -1.12 -1.32 0.00 0.00 175.29 170.99 1j3c s SER 51 N -3.07 -0.53 -1.53 12.60 0.01 -1.26 -4.93 113.70 114.99 1j3c s SER 51 Ca 0.67 0.35 -0.12 0.00 1.31 0.00 0.00 55.95 58.16 1j3c s SER 51 Cb -0.21 1.59 0.08 0.00 0.21 0.00 0.00 66.02 67.69 1j3c s SER 51 CO 0.60 -0.29 0.88 0.00 0.41 0.00 0.00 173.24 174.84 1j3c n ALA 52 N 5.39 -1.42 -0.64 1.44 0.00 -1.26 -4.81 120.51 119.21 1j3c n ALA 52 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1j3c n ALA 52 Cb 0.51 -3.80 0.00 0.00 0.00 0.00 0.00 19.45 16.16 1j3c n ALA 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j3c n LYS 53 N -4.57 0.00 0.28 0.00 5.02 -1.26 -4.71 118.16 112.92 1j3c n LYS 53 Ca -0.02 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 1j3c n LYS 53 Cb 0.55 0.00 0.79 0.00 -0.02 0.00 0.00 35.03 36.35 1j3c n LYS 53 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1j3c h ASP 54 N 0.00 0.00 0.62 4.39 1.82 -1.96 -2.44 116.42 118.85 1j3c h ASP 54 Ca 0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 1j3c h ASP 54 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1j3c h ASP 54 CO 0.00 0.06 -1.36 0.50 -1.61 0.00 0.00 179.24 176.83 1j3c h LYS 55 N 0.00 0.17 -0.72 0.28 3.64 -1.93 -3.18 116.57 114.83 1j3c h LYS 55 Ca -0.00 -0.30 0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1j3c h LYS 55 Cb 0.14 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 31.94 1j3c h LYS 55 CO 0.01 1.05 -0.27 1.96 -2.27 0.00 0.00 179.45 179.92 1j3c h GLN 56 N 0.05 -0.06 0.19 1.90 1.08 -1.72 0.93 115.11 117.47 1j3c h GLN 56 Ca -0.17 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.73 1j3c h GLN 56 Cb 1.95 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 29.42 1j3c h GLN 56 CO 0.16 -0.04 -1.35 -1.00 -0.95 0.00 0.00 178.83 175.64 1j3c h PRO 57 N -0.07 0.42 -0.15 1.46 0.13 -1.72 -3.29 132.00 128.78 1j3c h PRO 57 Ca 0.31 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1j3c h PRO 57 Cb 0.56 0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1j3c h PRO 57 CO -0.77 1.33 0.00 0.98 -0.23 0.00 0.00 178.00 179.31 1j3c n TYR 58 N -3.64 0.20 -0.04 1.56 9.36 -0.62 -3.68 117.16 120.31 1j3c n TYR 58 Ca -0.13 -0.10 0.02 0.00 3.32 0.00 0.00 57.90 61.01 1j3c n TYR 58 Cb 1.06 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.64 1j3c n TYR 58 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1j3c n GLU 59 N -0.05 0.88 0.16 2.98 -0.00 0.31 -3.89 120.64 121.04 1j3c n GLU 59 Ca 0.08 -0.09 0.03 0.00 -0.00 0.00 0.00 57.16 57.17 1j3c n GLU 59 Cb 0.16 -1.42 0.20 0.00 -0.00 0.00 0.00 31.44 30.38 1j3c n GLU 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1j3c h GLN 60 N 0.00 0.00 -0.72 3.44 3.07 -1.69 -3.23 115.11 115.98 1j3c h GLN 60 Ca -0.19 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.61 1j3c h GLN 60 Cb 1.31 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.82 1j3c h GLN 60 CO 0.01 0.49 0.43 -0.22 0.09 0.00 0.00 178.83 179.63 1j3c h LYS 61 N 0.00 0.77 0.00 0.06 3.64 -1.76 -0.04 116.57 119.23 1j3c h LYS 61 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1j3c h LYS 61 Cb 1.12 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1j3c h LYS 61 CO 0.06 0.51 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 1j3c n ALA 62 N -2.34 1.90 1.55 5.00 0.00 -1.22 -2.54 120.51 122.86 1j3c n ALA 62 Ca 0.09 -0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.64 1j3c n ALA 62 Cb 0.16 -1.35 0.72 0.00 0.00 0.00 0.00 19.45 18.98 1j3c n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3c n ALA 63 N -1.57 2.67 -0.09 0.00 0.00 -0.03 -3.60 120.51 117.89 1j3c n ALA 63 Ca 0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1j3c n ALA 63 Cb 0.25 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.15 1j3c n ALA 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j3c n LYS 64 N -0.95 0.68 -0.04 0.00 4.76 -1.05 -4.16 118.16 117.39 1j3c n LYS 64 Ca 0.17 0.10 0.08 0.00 -2.87 0.00 0.00 58.31 55.79 1j3c n LYS 64 Cb 0.24 -1.58 0.39 0.00 -1.84 0.00 0.00 35.03 32.24 1j3c n LYS 64 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3c n LEU 65 N -2.98 0.73 -0.10 -0.35 4.32 -1.24 -3.59 117.00 113.79 1j3c n LEU 65 Ca -0.33 -0.32 -0.12 0.00 -0.02 0.00 0.00 56.01 55.22 1j3c n LEU 65 Cb 1.09 -0.06 -0.15 0.00 -1.62 0.00 0.00 43.42 42.69 1j3c n LEU 65 CO 0.39 0.16 -1.15 1.17 -1.22 0.00 0.00 177.39 176.74 1j3c n LYS 66 N -0.26 0.68 -0.08 3.23 4.81 -1.24 -3.60 118.16 121.69 1j3c n LYS 66 Ca 0.13 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.53 1j3c n LYS 66 Cb 0.17 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 1j3c n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1j3c h GLU 67 N 0.00 0.40 0.27 1.64 5.08 -1.74 -2.67 114.58 117.57 1j3c h GLU 67 Ca -0.53 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1j3c h GLU 67 Cb 2.14 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1j3c h GLU 67 CO 0.01 0.43 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.10 1j3c h LYS 68 N 0.28 -0.35 -0.80 2.33 1.63 -1.77 -3.14 116.57 114.74 1j3c h LYS 68 Ca 0.09 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 60.09 1j3c h LYS 68 Cb 0.18 0.08 -0.15 0.00 -0.60 0.00 0.00 32.23 31.74 1j3c h LYS 68 CO -0.01 -0.24 -0.15 0.98 -3.45 0.00 0.00 179.45 176.58 1j3c n TYR 69 N -3.95 0.34 0.11 1.91 4.19 -1.24 0.13 117.16 118.65 1j3c n TYR 69 Ca -0.05 0.98 -0.00 0.00 3.31 0.00 0.00 57.90 62.14 1j3c n TYR 69 Cb 0.14 -1.00 0.29 0.00 0.49 0.00 0.00 39.34 39.27 1j3c n TYR 69 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1j3c h GLU 70 N 0.00 0.23 0.00 2.98 5.08 -1.58 -0.93 114.58 120.36 1j3c h GLU 70 Ca 0.41 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.56 1j3c h GLU 70 Cb 0.68 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1j3c h GLU 70 CO -0.81 0.52 -1.77 1.17 -1.00 0.00 0.00 179.01 177.11 1j3c n LYS 71 N -4.12 0.65 0.02 2.33 4.81 0.27 -4.21 118.16 117.90 1j3c n LYS 71 Ca -0.01 0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1j3c n LYS 71 Cb 0.40 -1.65 -0.09 0.00 0.02 0.00 0.00 35.03 33.71 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1j3c n ASP 72 N -2.61 0.69 0.23 3.14 -0.08 0.35 -4.07 116.55 114.21 1j3c n ASP 72 Ca -0.11 0.30 0.13 0.00 -1.51 0.00 0.00 54.79 53.59 1j3c n ASP 72 Cb 0.77 0.47 0.31 0.00 2.34 0.00 0.00 41.12 45.00 1j3c n ASP 72 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1j3c h ILE 73 N 0.00 0.03 -0.27 5.18 6.09 -1.34 -1.77 117.51 125.43 1j3c h ILE 73 Ca -0.17 -0.91 -0.07 0.00 -1.37 0.00 0.00 64.86 62.35 1j3c h ILE 73 Cb 1.52 1.88 -0.02 0.00 0.47 0.00 0.00 36.82 40.67 1j3c h ILE 73 CO 0.03 0.02 -0.14 0.00 -3.07 0.00 0.00 178.15 175.00 1j3c h ALA 74 N 1.98 1.26 0.00 0.18 0.00 -1.73 -3.03 119.26 117.92 1j3c h ALA 74 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j3c h ALA 74 Cb 0.88 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1j3c h ALA 74 CO 0.00 0.49 -1.30 0.00 0.00 0.00 0.00 179.25 178.44 1j3c n ALA 75 N -2.48 3.66 -0.04 0.00 0.00 -1.20 -2.95 120.51 117.50 1j3c n ALA 75 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1j3c n ALA 75 Cb 0.32 -0.66 0.26 0.00 0.00 0.00 0.00 19.45 19.38 1j3c n ALA 75 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j3c h TYR 76 N 0.00 0.64 -0.52 0.00 3.20 -1.19 -2.49 116.97 116.61 1j3c h TYR 76 Ca 0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1j3c h TYR 76 Cb 0.62 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1j3c h TYR 76 CO 0.00 0.59 0.00 0.54 -1.64 0.00 0.00 178.16 177.65 1j3c n ARG 77 N -4.27 4.02 -3.12 1.82 1.74 -1.22 -5.00 116.66 110.62 1j3c n ARG 77 Ca 0.02 -2.96 -0.20 0.00 -0.77 0.00 0.00 57.85 53.94 1j3c n ARG 77 Cb 0.24 -2.01 0.02 0.00 -1.02 0.00 0.00 32.46 29.69 1j3c n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j3c n ALA 78 N 0.53 -2.73 1.18 7.54 0.00 -0.94 -5.13 120.51 120.96 1j3c n ALA 78 Ca 0.25 0.82 0.13 0.00 0.00 0.00 0.00 53.44 54.64 1j3c n ALA 78 Cb 1.00 -3.14 0.25 0.00 0.00 0.00 0.00 19.45 17.57 1j3c n ALA 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67