#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3c n LYS 2 N 0.00 -1.36 -3.20 2.12 4.01 -1.26 -4.92 118.16 113.55 1j3c n LYS 2 Ca 0.00 0.90 -0.15 0.00 -0.51 0.00 0.00 58.31 58.55 1j3c n LYS 2 Cb 0.00 -1.66 0.01 0.00 -0.51 0.00 0.00 35.03 32.87 1j3c n LYS 2 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1j3c n LYS 3 N -2.47 -1.85 0.00 1.97 4.81 -1.26 -4.96 118.16 114.41 1j3c n LYS 3 Ca 0.00 1.58 0.00 0.00 -0.87 0.00 0.00 58.31 59.02 1j3c n LYS 3 Cb 0.31 -4.43 0.00 0.00 0.02 0.00 0.00 35.03 30.93 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 -1.10 0.00 -4.07 1.64 5.02 -1.26 -4.85 118.16 113.54 1j3c n LYS 4 Ca -0.03 0.14 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 1j3c n LYS 4 Cb 0.56 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.96 5.76 0.30 4.39 1.01 -1.26 -5.01 116.67 119.89 1j3c s ASP 5 Ca 0.00 -0.15 0.26 0.00 0.71 0.00 0.00 52.55 53.37 1j3c s ASP 5 Cb 0.00 -1.54 0.81 0.00 1.01 0.00 0.00 42.92 43.20 1j3c s ASP 5 CO 0.00 -0.04 1.75 1.55 0.21 0.00 0.00 175.17 178.64 1j3c h PRO 6 N 1.46 0.00 0.00 8.23 0.13 -2.03 -3.32 132.00 136.47 1j3c h PRO 6 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1j3c h PRO 6 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1j3c h PRO 6 CO 0.61 0.00 -0.32 0.27 -0.23 0.00 0.00 178.00 178.33 1j3c n ASN 7 N -2.49 0.49 -4.54 1.44 0.23 -1.26 -5.05 115.26 104.06 1j3c n ASN 7 Ca 0.04 -2.05 -0.35 0.00 -0.53 0.00 0.00 54.58 51.69 1j3c n ASN 7 Cb 0.39 -0.20 -0.11 0.00 -2.08 0.00 0.00 39.78 37.78 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j3c s ALA 8 N -0.54 3.26 -0.18 -2.53 0.00 -1.25 -5.06 121.76 115.46 1j3c s ALA 8 Ca 0.06 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1j3c s ALA 8 Cb 0.05 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1j3c s ALA 8 CO 0.01 -0.09 1.43 -1.25 0.00 0.00 0.00 175.76 175.86 1j3c s PRO 9 N 0.88 4.05 -0.14 0.00 0.04 -1.26 -4.67 135.00 133.90 1j3c s PRO 9 Ca 0.03 1.68 0.17 0.00 0.04 0.00 0.00 61.00 62.92 1j3c s PRO 9 Cb -0.14 -3.90 0.43 0.00 0.04 0.00 0.00 34.50 30.94 1j3c s PRO 9 CO 0.02 -0.96 1.19 0.36 0.04 0.00 0.00 177.00 177.65 1j3c n LYS 10 N 7.12 1.16 -2.97 4.56 2.85 -1.26 -4.92 118.16 124.69 1j3c n LYS 10 Ca 0.16 -2.90 -0.01 0.00 -1.05 0.00 0.00 58.31 54.51 1j3c n LYS 10 Cb 0.45 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1j3c s ARG 11 N -2.08 0.84 -0.28 -1.58 0.52 -1.26 -5.09 118.95 110.02 1j3c s ARG 11 Ca 0.37 -0.56 -0.27 0.00 -0.52 0.00 0.00 55.73 54.75 1j3c s ARG 11 Cb 0.38 0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.88 1j3c s ARG 11 CO -0.10 -1.13 0.96 -1.25 0.02 0.00 0.00 175.30 173.81 1j3c s PRO 12 N 1.42 4.12 0.87 3.54 0.04 -1.26 -5.03 135.00 138.70 1j3c s PRO 12 Ca 0.22 1.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 1j3c s PRO 12 Cb -0.01 -3.69 0.13 0.00 0.04 0.00 0.00 34.50 30.97 1j3c s PRO 12 CO -0.07 -0.72 1.23 -1.25 0.04 0.00 0.00 177.00 176.23 1j3c s PRO 13 N 3.25 1.40 -0.41 0.56 0.04 -1.26 -5.01 135.00 133.56 1j3c s PRO 13 Ca 0.40 -0.15 0.05 0.00 0.04 0.00 0.00 61.00 61.34 1j3c s PRO 13 Cb -0.14 -1.92 0.31 0.00 0.04 0.00 0.00 34.50 32.79 1j3c s PRO 13 CO 0.11 -1.93 1.21 0.45 0.04 0.00 0.00 177.00 176.88 1j3c n SER 14 N -3.49 -1.94 0.00 6.66 2.88 -1.26 -4.70 113.62 111.78 1j3c n SER 14 Ca 0.11 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1j3c n SER 14 Cb 0.60 1.59 0.00 0.00 -0.75 0.00 0.00 64.21 65.65 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 0.56 0.00 -0.24 -1.46 0.00 -1.25 -4.05 120.51 114.06 1j3c n ALA 15 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1j3c n ALA 15 Cb 0.72 0.00 0.17 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 0.37 0.00 0.00 3.04 -1.96 0.34 116.94 118.73 1j3c h PHE 16 Ca 0.00 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1j3c h PHE 16 Cb 0.00 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 1j3c h PHE 16 CO 0.00 -0.01 -0.04 0.35 -2.02 0.00 0.00 178.31 176.59 1j3c h PHE 17 N 0.34 0.00 0.16 0.41 3.57 -1.94 -1.23 116.94 118.26 1j3c h PHE 17 Ca 0.40 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.60 1j3c h PHE 17 Cb 0.64 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.39 1j3c h PHE 17 CO -0.21 0.04 -1.36 -0.07 -2.23 0.00 0.00 178.31 174.48 1j3c h LEU 18 N 0.00 0.54 0.12 0.59 3.38 -0.73 -2.68 115.31 116.54 1j3c h LEU 18 Ca -0.00 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1j3c h LEU 18 Cb 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1j3c h LEU 18 CO 0.01 1.48 -0.06 0.15 0.09 0.00 0.00 178.44 180.10 1j3c h PHE 19 N 0.09 -0.15 0.00 1.13 3.04 -0.42 -2.98 116.94 117.65 1j3c h PHE 19 Ca -0.19 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.71 1j3c h PHE 19 Cb 2.04 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.59 1j3c h PHE 19 CO 0.08 0.27 -0.22 0.00 -2.02 0.00 0.00 178.31 176.42 1j3c h SER 21 N 0.00 0.00 0.00 0.00 0.02 -1.40 -3.32 113.55 108.85 1j3c h SER 21 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j3c h SER 21 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1j3c h SER 21 CO 0.03 0.00 -0.45 -1.84 -1.14 0.00 0.00 176.83 173.43 1j3c n GLU 22 N -2.35 2.86 -0.37 3.45 -0.00 -0.77 -4.75 120.64 118.71 1j3c n GLU 22 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.23 1j3c n GLU 22 Cb 0.24 -0.68 0.21 0.00 -0.00 0.00 0.00 31.44 31.21 1j3c n GLU 22 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1j3c n TYR 23 N -0.81 0.88 -0.04 -1.84 4.01 0.92 -4.22 117.16 116.06 1j3c n TYR 23 Ca 0.00 -0.35 -0.21 0.00 -0.16 0.00 0.00 57.90 57.18 1j3c n TYR 23 Cb 0.00 -0.17 -0.13 0.00 -0.31 0.00 0.00 39.34 38.73 1j3c n TYR 23 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1j3c n ARG 24 N 0.54 0.70 0.18 -0.72 1.74 -1.25 -3.97 116.66 113.88 1j3c n ARG 24 Ca 0.15 0.31 0.14 0.00 -0.77 0.00 0.00 57.85 57.67 1j3c n ARG 24 Cb 0.58 -1.68 0.59 0.00 -1.02 0.00 0.00 32.46 30.93 1j3c n ARG 24 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1j3c h PRO 25 N -0.19 0.00 0.06 5.56 0.13 -1.92 -2.75 132.00 132.89 1j3c h PRO 25 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j3c h PRO 25 Cb 1.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.99 1j3c h PRO 25 CO -0.02 0.00 -0.03 -0.22 -0.23 0.00 0.00 178.00 177.51 1j3c h LYS 26 N 0.00 -0.08 -0.68 0.86 3.11 -1.79 -3.07 116.57 114.92 1j3c h LYS 26 Ca 0.00 0.01 0.20 0.00 -2.81 0.00 0.00 60.65 58.04 1j3c h LYS 26 Cb 0.33 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 1j3c h LYS 26 CO 0.00 0.49 0.52 0.82 -2.81 0.00 0.00 179.45 178.47 1j3c h ILE 27 N -0.74 0.57 -0.01 2.00 1.08 -1.62 0.09 117.51 118.87 1j3c h ILE 27 Ca -0.01 0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 64.28 1j3c h ILE 27 Cb 0.60 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1j3c h ILE 27 CO 0.01 0.00 -0.82 0.11 -0.69 0.00 0.00 178.15 176.77 1j3c h LYS 28 N 0.00 0.20 0.00 2.37 1.79 -1.46 0.85 116.57 120.32 1j3c h LYS 28 Ca 0.32 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1j3c h LYS 28 Cb 1.36 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1j3c h LYS 28 CO -0.00 0.91 -0.08 1.03 -1.08 0.00 0.00 179.45 180.23 1j3c h SER 29 N 0.12 0.00 0.00 0.86 0.87 -0.88 -3.17 113.55 111.35 1j3c h SER 29 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1j3c h SER 29 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1j3c h SER 29 CO 0.12 0.08 -1.03 -0.62 -0.53 0.00 0.00 176.83 174.85 1j3c n GLU 30 N -3.84 0.44 -3.88 2.24 -0.58 -1.17 -4.91 120.64 108.94 1j3c n GLU 30 Ca -0.02 -0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.40 1j3c n GLU 30 Cb 0.17 -1.02 -0.14 0.00 -0.57 0.00 0.00 31.44 29.88 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 -2.08 2.85 0.16 -0.32 3.76 0.30 -4.95 115.29 115.01 1j3c s HIS 31 Ca -0.01 -2.67 0.00 0.00 -0.15 0.00 0.00 55.06 52.24 1j3c s HIS 31 Cb 0.01 -2.45 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 1j3c s HIS 31 CO 0.08 -0.85 1.37 -1.00 -0.85 0.00 0.00 174.74 173.49 1j3c h PRO 32 N 7.28 0.29 0.00 8.40 0.13 -1.79 -3.11 132.00 143.19 1j3c h PRO 32 Ca -0.06 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1j3c h PRO 32 Cb 0.97 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1j3c h PRO 32 CO 0.54 0.99 0.00 0.78 -0.23 0.00 0.00 178.00 180.09 1j3c h GLY 33 N 1.58 0.00 -7.15 1.56 0.00 -1.93 -3.42 103.07 93.70 1j3c h GLY 33 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1j3c h GLY 33 CO 0.14 0.00 0.19 1.04 0.00 0.00 0.00 176.54 177.91 1j3c n LEU 34 N -2.84 1.05 -4.79 3.11 7.99 -1.17 -4.91 117.00 115.44 1j3c n LEU 34 Ca 0.03 -1.97 -0.29 0.00 -0.01 0.00 0.00 56.01 53.77 1j3c n LEU 34 Cb 0.43 -1.55 0.14 0.00 -0.11 0.00 0.00 43.42 42.33 1j3c n LEU 34 CO 0.30 -3.06 0.72 -0.44 -1.51 0.00 0.00 177.39 173.40 1j3c s SER 35 N 8.15 3.35 0.57 -1.43 0.01 -1.26 -4.52 113.70 118.57 1j3c s SER 35 Ca 0.81 0.89 0.28 0.00 1.31 0.00 0.00 55.95 59.25 1j3c s SER 35 Cb -0.11 -1.41 1.48 0.00 0.21 0.00 0.00 66.02 66.18 1j3c s SER 35 CO 0.16 -2.64 1.94 0.40 0.41 0.00 0.00 173.24 173.51 1j3c h ILE 36 N -1.56 0.50 0.28 1.44 1.08 -1.95 0.56 117.51 117.85 1j3c h ILE 36 Ca -0.50 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 1j3c h ILE 36 Cb 1.32 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1j3c h ILE 36 CO 0.59 0.00 -0.13 1.23 -0.69 0.00 0.00 178.15 179.14 1j3c h GLY 37 N 0.00 -0.39 2.00 5.37 0.00 -1.97 -0.29 103.07 107.79 1j3c h GLY 37 Ca 0.25 0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.62 1j3c h GLY 37 CO -0.00 -0.14 -0.51 -1.80 0.00 0.00 0.00 176.54 174.09 1j3c h ASP 38 N -0.39 0.00 -0.06 0.19 1.82 -1.81 -3.02 116.42 113.15 1j3c h ASP 38 Ca -0.04 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.53 1j3c h ASP 38 Cb 0.29 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1j3c h ASP 38 CO 0.06 0.51 -0.17 0.74 -1.61 0.00 0.00 179.24 178.77 1j3c h THR 39 N 0.00 1.23 -0.19 2.25 2.02 0.12 0.68 112.91 119.02 1j3c h THR 39 Ca -0.01 -1.05 -0.21 0.00 0.77 0.00 0.00 66.41 65.91 1j3c h THR 39 Cb 0.98 1.24 0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1j3c h THR 39 CO 0.07 0.34 -0.69 0.00 0.37 0.00 0.00 175.52 175.60 1j3c h ALA 40 N 1.44 0.40 0.00 6.16 0.00 -0.91 -3.15 119.26 123.20 1j3c h ALA 40 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1j3c h ALA 40 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j3c h ALA 40 CO 0.03 0.69 -0.70 0.36 0.00 0.00 0.00 179.25 179.64 1j3c n LYS 41 N -3.95 0.13 0.01 0.00 2.85 -1.10 -4.23 118.16 111.88 1j3c n LYS 41 Ca -0.06 0.02 -0.03 0.00 -1.05 0.00 0.00 58.31 57.18 1j3c n LYS 41 Cb 0.70 -1.56 -0.02 0.00 -0.65 0.00 0.00 35.03 33.50 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 -0.15 -1.06 -1.58 1.63 0.36 -3.30 116.57 112.47 1j3c h LYS 42 Ca 0.00 0.01 0.31 0.00 -0.85 0.00 0.00 60.65 60.12 1j3c h LYS 42 Cb 0.61 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 1j3c h LYS 42 CO 0.00 -0.03 0.87 -0.07 -3.45 0.00 0.00 179.45 176.76 1j3c h LEU 43 N -1.03 0.00 -1.15 5.20 3.38 -1.75 0.59 115.31 120.55 1j3c h LEU 43 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1j3c h LEU 43 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1j3c h LEU 43 CO 0.03 0.00 -0.00 1.23 0.09 0.00 0.00 178.44 179.79 1j3c h GLY 44 N 0.00 0.63 0.12 0.83 0.00 -1.73 -2.57 103.07 100.35 1j3c h GLY 44 Ca 0.50 -0.39 0.22 0.00 0.00 0.00 0.00 47.33 47.67 1j3c h GLY 44 CO -0.01 0.36 0.63 -2.09 0.00 0.00 0.00 176.54 175.43 1j3c h GLU 45 N 0.56 0.44 0.16 4.80 4.57 0.08 -1.75 114.58 123.44 1j3c h GLU 45 Ca 0.12 -0.03 -0.34 0.00 -1.18 0.00 0.00 59.36 57.93 1j3c h GLU 45 Cb 0.36 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1j3c h GLU 45 CO 0.01 0.29 -1.72 0.52 -1.18 0.00 0.00 179.01 176.93 1j3c h MET 46 N 0.45 0.33 -0.12 1.92 2.86 -1.60 -3.21 114.93 115.57 1j3c h MET 46 Ca 0.53 -0.57 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1j3c h MET 46 Cb 1.26 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1j3c h MET 46 CO -0.24 1.27 0.26 2.35 1.06 0.00 0.00 176.91 181.61 1j3c h TRP 47 N -0.01 0.00 0.03 -0.22 2.91 -0.97 -1.18 115.95 116.51 1j3c h TRP 47 Ca -0.35 0.00 -0.34 0.00 1.13 0.00 0.00 58.89 59.33 1j3c h TRP 47 Cb 2.00 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 30.60 1j3c h TRP 47 CO 0.10 0.00 -2.01 -1.13 -1.03 0.00 0.00 178.44 174.37 1j3c n SER 48 N -3.31 1.07 -0.12 2.65 3.41 -0.85 -4.19 113.62 112.28 1j3c n SER 48 Ca 0.00 0.21 -0.02 0.00 -0.26 0.00 0.00 58.87 58.81 1j3c n SER 48 Cb 0.35 -0.03 0.21 0.00 -0.26 0.00 0.00 64.21 64.48 1j3c n SER 48 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j3c h GLU 49 N 0.02 0.80 -7.15 4.33 4.39 -1.23 -3.43 114.58 112.31 1j3c h GLU 49 Ca -0.41 -0.15 -0.54 0.00 0.34 0.00 0.00 59.36 58.60 1j3c h GLU 49 Cb 2.06 -0.13 0.14 0.00 -0.10 0.00 0.00 28.75 30.73 1j3c h GLU 49 CO 0.05 0.71 0.43 1.14 -1.16 0.00 0.00 179.01 180.18 1j3c s GLN 50 N -5.24 2.41 0.00 2.33 -2.07 -0.92 -5.04 119.66 111.13 1j3c s GLN 50 Ca -0.10 1.80 0.00 0.00 -1.82 0.00 0.00 55.36 55.25 1j3c s GLN 50 Cb 0.16 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 30.22 1j3c s GLN 50 CO 0.79 -1.64 0.00 0.45 -1.32 0.00 0.00 175.29 173.57 1j3c n SER 51 N -2.34 0.03 -2.82 12.60 2.88 -1.26 -4.94 113.62 117.78 1j3c n SER 51 Ca 0.14 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.39 1j3c n SER 51 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3c n ALA 52 N -3.00 6.91 0.00 -1.46 0.00 -1.26 -4.03 120.51 117.66 1j3c n ALA 52 Ca 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1j3c n ALA 52 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 2.50 0.00 0.20 0.00 5.02 -1.26 -4.65 118.16 119.97 1j3c n LYS 53 Ca 0.60 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.95 1j3c n LYS 53 Cb 0.49 -0.25 0.43 0.00 -0.02 0.00 0.00 35.03 35.69 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 0.49 4.39 1.82 -1.96 -3.05 116.42 118.12 1j3c h ASP 54 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 1j3c h ASP 54 Cb 0.39 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.41 1j3c h ASP 54 CO 0.00 0.32 -1.31 0.11 -1.61 0.00 0.00 179.24 176.75 1j3c h LYS 55 N 0.00 0.38 -0.72 0.28 1.57 -1.88 -3.20 116.57 113.01 1j3c h LYS 55 Ca -0.00 -0.63 0.13 0.00 -1.87 0.00 0.00 60.65 58.27 1j3c h LYS 55 Cb 0.64 0.23 -0.13 0.00 0.08 0.00 0.00 32.23 33.05 1j3c h LYS 55 CO 0.04 1.30 -0.32 1.96 -0.57 0.00 0.00 179.45 181.85 1j3c h GLN 56 N 0.11 -0.09 0.06 3.15 1.08 -1.80 1.09 115.11 118.71 1j3c h GLN 56 Ca -0.17 0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 56.77 1j3c h GLN 56 Cb 2.02 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 29.49 1j3c h GLN 56 CO 0.23 -0.06 -1.10 -1.00 -0.95 0.00 0.00 178.83 175.95 1j3c h PRO 57 N -0.10 0.48 -0.00 1.46 0.13 -1.71 -3.27 132.00 129.00 1j3c h PRO 57 Ca 0.28 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1j3c h PRO 57 Cb 0.57 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1j3c h PRO 57 CO -0.77 1.23 -0.07 0.98 -0.23 0.00 0.00 178.00 179.15 1j3c n TYR 58 N -3.73 0.00 0.05 1.56 9.36 -0.70 -3.68 117.16 120.02 1j3c n TYR 58 Ca -0.10 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.16 1j3c n TYR 58 Cb 0.92 -0.23 -0.06 0.00 -0.63 0.00 0.00 39.34 39.34 1j3c n TYR 58 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1j3c h GLU 59 N 0.28 0.00 0.00 2.98 -0.00 0.11 -3.34 114.58 114.61 1j3c h GLU 59 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 1j3c h GLU 59 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.07 1j3c h GLU 59 CO 0.00 0.21 -0.19 -0.56 -0.00 0.00 0.00 179.01 178.46 1j3c h GLN 60 N 0.00 0.00 -0.54 1.06 3.07 -1.67 -3.06 115.11 113.96 1j3c h GLN 60 Ca -0.11 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.57 1j3c h GLN 60 Cb 1.41 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.95 1j3c h GLN 60 CO 0.03 0.19 0.12 -0.22 0.09 0.00 0.00 178.83 179.05 1j3c h LYS 61 N 0.00 0.88 0.00 0.06 3.64 -1.72 -2.38 116.57 117.04 1j3c h LYS 61 Ca -0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1j3c h LYS 61 Cb 1.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1j3c h LYS 61 CO 0.03 0.83 -0.07 0.00 -2.27 0.00 0.00 179.45 177.97 1j3c h ALA 62 N 1.01 0.96 -0.53 5.00 0.00 -1.75 -3.27 119.26 120.68 1j3c h ALA 62 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1j3c h ALA 62 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1j3c h ALA 62 CO 0.00 0.00 0.33 0.00 0.00 0.00 0.00 179.25 179.59 1j3c h ALA 63 N 2.49 1.59 0.27 0.00 0.00 -1.31 -1.09 119.26 121.20 1j3c h ALA 63 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j3c h ALA 63 Cb 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1j3c h ALA 63 CO 0.00 0.37 -0.13 0.87 0.00 0.00 0.00 179.25 180.36 1j3c h LYS 64 N 0.73 -0.35 -0.36 0.00 1.79 -1.60 -3.08 116.57 113.69 1j3c h LYS 64 Ca 0.19 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.79 1j3c h LYS 64 Cb -0.05 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1j3c h LYS 64 CO -0.04 -0.23 0.52 -0.07 -1.08 0.00 0.00 179.45 178.55 1j3c h LEU 65 N -0.82 0.00 0.12 2.94 4.07 -1.69 -0.94 115.31 118.99 1j3c h LEU 65 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1j3c h LEU 65 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1j3c h LEU 65 CO 0.06 0.00 -0.06 0.50 -1.08 0.00 0.00 178.44 177.86 1j3c h LYS 66 N 0.00 -0.16 0.03 1.13 3.64 -1.20 -1.86 116.57 118.15 1j3c h LYS 66 Ca 0.17 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1j3c h LYS 66 Cb 1.20 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1j3c h LYS 66 CO -0.00 0.28 -0.01 0.93 -2.27 0.00 0.00 179.45 178.37 1j3c h GLU 67 N -0.69 -0.04 -0.01 1.90 5.08 -1.11 -0.46 114.58 119.26 1j3c h GLU 67 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j3c h GLU 67 Cb 0.51 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1j3c h GLU 67 CO 0.03 0.08 0.08 0.87 -1.00 0.00 0.00 179.01 179.07 1j3c h LYS 68 N -0.15 0.00 0.00 2.33 1.57 -1.42 0.27 116.57 119.17 1j3c h LYS 68 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1j3c h LYS 68 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1j3c h LYS 68 CO 0.01 0.00 -0.43 -0.92 -0.57 0.00 0.00 179.45 177.54 1j3c h TYR 69 N 0.00 0.00 -0.11 -1.35 5.03 -0.45 -3.14 116.97 116.96 1j3c h TYR 69 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 1j3c h TYR 69 Cb 0.16 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1j3c h TYR 69 CO 0.00 0.23 -0.44 0.93 -1.32 0.00 0.00 178.16 177.56 1j3c h GLU 70 N -1.00 0.26 0.00 1.82 5.08 -0.95 -1.09 114.58 118.70 1j3c h GLU 70 Ca -0.04 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1j3c h GLU 70 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1j3c h GLU 70 CO -0.02 0.65 -0.39 1.63 -1.00 0.00 0.00 179.01 179.87 1j3c n LYS 71 N -4.01 0.25 -0.01 2.33 4.76 0.94 -3.80 118.16 118.62 1j3c n LYS 71 Ca -0.02 0.12 0.06 0.00 -2.87 0.00 0.00 58.31 55.60 1j3c n LYS 71 Cb 0.50 -1.70 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j3c n ASP 72 N -2.09 1.83 0.16 4.39 -0.08 -1.17 -4.48 116.55 115.10 1j3c n ASP 72 Ca 0.04 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.40 1j3c n ASP 72 Cb 0.43 1.58 0.07 0.00 2.34 0.00 0.00 41.12 45.54 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 0.35 -0.65 5.18 6.09 -1.33 -2.90 117.51 124.25 1j3c h ILE 73 Ca -0.02 -1.53 -0.06 0.00 -1.37 0.00 0.00 64.86 61.88 1j3c h ILE 73 Cb 0.71 2.09 -0.03 0.00 0.47 0.00 0.00 36.82 40.07 1j3c h ILE 73 CO 0.00 0.20 0.18 0.00 -3.07 0.00 0.00 178.15 175.46 1j3c h ALA 74 N 1.77 0.85 -0.01 0.18 0.00 -1.79 -2.66 119.26 117.61 1j3c h ALA 74 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1j3c h ALA 74 Cb 1.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1j3c h ALA 74 CO 0.03 0.55 -0.26 0.00 0.00 0.00 0.00 179.25 179.56 1j3c n ALA 75 N -2.42 3.10 0.07 0.00 0.00 -1.24 -4.05 120.51 115.96 1j3c n ALA 75 Ca 0.04 -0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.02 1j3c n ALA 75 Cb 0.23 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 1.86 0.00 0.00 0.00 3.20 -1.26 -3.41 116.97 117.35 1j3c h TYR 76 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1j3c h TYR 76 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1j3c h TYR 76 CO 0.00 0.47 0.00 0.54 -1.64 0.00 0.00 178.16 177.53 1j3c n ARG 77 N -2.93 0.00 0.00 1.82 1.74 -1.08 -5.04 116.66 111.17 1j3c n ARG 77 Ca -0.06 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1j3c n ARG 77 Cb 0.77 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 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 -0.52 0.00 -0.34 7.54 0.00 -1.26 -5.16 120.51 120.77 1j3c n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j3c n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13