#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 n GLU 2 N 0.00 0.43 0.00 0.03 -0.58 -1.26 -3.13 120.64 116.13 2j28 n GLU 2 Ca 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2j28 n GLU 2 Cb 0.00 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 28.45 2j28 n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2j28 n THR 3 N 7.54 0.00 -1.49 2.62 5.66 -1.26 -3.47 114.28 123.88 2j28 n THR 3 Ca 0.54 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.54 2j28 n THR 3 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 2j28 n THR 3 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2j28 n ILE 4 N 0.00 0.00 -3.92 1.09 5.41 -1.18 -4.87 119.36 115.89 2j28 n ILE 4 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 2j28 n ILE 4 Cb 0.00 -1.08 -0.15 0.00 -0.71 0.00 0.00 39.64 37.70 2j28 n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2j28 s ALA 5 N 0.00 2.21 0.10 -1.39 0.00 0.17 -4.87 121.76 117.98 2j28 s ALA 5 Ca 0.00 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.14 2j28 s ALA 5 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2j28 s ALA 5 CO 0.00 -1.48 0.04 0.15 0.00 0.00 0.00 175.76 174.47 2j28 s LYS 6 N 1.26 2.70 -0.16 0.00 1.02 -1.26 0.17 119.74 123.47 2j28 s LYS 6 Ca 0.04 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2j28 s LYS 6 Cb -0.19 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.43 2j28 s LYS 6 CO -0.11 0.54 -0.17 1.58 -0.92 0.00 0.00 175.35 176.27 2j28 n HIS 7 N 0.39 0.00 -1.62 3.18 -0.00 -1.26 -4.74 115.22 111.17 2j28 n HIS 7 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 2j28 n HIS 7 Cb 0.52 -0.60 0.00 0.00 -0.00 0.00 0.00 29.99 29.91 2j28 n HIS 7 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2j28 n ARG 8 N -3.26 -4.09 0.00 1.57 5.12 -1.26 -4.76 116.66 109.98 2j28 n ARG 8 Ca -0.30 3.02 0.00 0.00 -1.93 0.00 0.00 57.85 58.64 2j28 n ARG 8 Cb 0.77 -3.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.94 2j28 n ARG 8 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2j28 n HIS 9 N 1.26 0.00 0.00 -1.55 8.25 0.13 -4.88 115.22 118.43 2j28 n HIS 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2j28 n HIS 9 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2j28 n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2j28 n ALA 10 N 4.10 0.00 -2.66 -1.41 0.00 -1.26 -2.31 120.51 116.96 2j28 n ALA 10 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2j28 n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2j28 n ALA 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2j28 n ARG 11 N -0.24 -1.55 -0.56 0.00 3.00 -1.26 -4.98 116.66 111.07 2j28 n ARG 11 Ca 0.00 1.59 -0.01 0.00 -0.00 0.00 0.00 57.85 59.43 2j28 n ARG 11 Cb 0.00 -4.91 -0.01 0.00 0.00 0.00 0.00 32.46 27.53 2j28 n ARG 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2j28 n SER 12 N -0.91 -0.21 -0.75 6.15 2.88 -1.26 -5.04 113.62 114.49 2j28 n SER 12 Ca 0.05 -0.45 0.02 0.00 -1.33 0.00 0.00 58.87 57.16 2j28 n SER 12 Cb 0.43 0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 2j28 n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2j28 n SER 13 N 0.00 -4.50 -0.04 -3.46 3.41 -1.24 -4.21 113.62 103.57 2j28 n SER 13 Ca -0.06 0.17 -0.06 0.00 -0.26 0.00 0.00 58.87 58.66 2j28 n SER 13 Cb 0.33 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 2j28 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j28 n ALA 14 N -0.27 1.58 0.23 7.33 0.00 -1.26 -3.93 120.51 124.17 2j28 n ALA 14 Ca 0.00 -0.55 0.18 0.00 0.00 0.00 0.00 53.44 53.06 2j28 n ALA 14 Cb 0.07 0.10 0.79 0.00 0.00 0.00 0.00 19.45 20.41 2j28 n ALA 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2j28 h GLN 15 N -0.67 0.00 -0.10 0.00 3.07 -1.95 0.30 115.11 115.75 2j28 h GLN 15 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 2j28 h GLN 15 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.24 2j28 h GLN 15 CO -0.00 0.00 -0.48 0.87 0.09 0.00 0.00 178.83 179.31 2j28 h LYS 16 N 0.00 0.50 0.01 0.06 1.57 -1.81 -3.28 116.57 113.62 2j28 h LYS 16 Ca 0.09 -0.40 -0.27 0.00 -1.87 0.00 0.00 60.65 58.20 2j28 h LYS 16 Cb 0.83 0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.25 2j28 h LYS 16 CO -0.00 1.03 -1.06 0.28 -0.57 0.00 0.00 179.45 179.13 2j28 h VAL 17 N 0.09 1.29 -0.77 0.50 2.07 -1.24 -3.33 116.25 114.86 2j28 h VAL 17 Ca -0.03 -2.28 0.18 0.00 0.82 0.00 0.00 66.70 65.39 2j28 h VAL 17 Cb 1.12 2.41 -0.13 0.00 -1.52 0.00 0.00 31.29 33.17 2j28 h VAL 17 CO 0.10 0.70 0.05 -0.09 0.02 0.00 0.00 177.57 178.35 2j28 h ARG 18 N 0.37 0.12 -0.00 1.57 1.12 -1.11 0.92 114.38 117.37 2j28 h ARG 18 Ca -0.13 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 2j28 h ARG 18 Cb 1.71 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 31.64 2j28 h ARG 18 CO 0.21 0.08 0.00 -0.07 -3.11 0.00 0.00 179.97 177.08 2j28 h LEU 19 N 0.13 0.00 0.00 3.80 3.38 -1.66 -1.63 115.31 119.32 2j28 h LEU 19 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2j28 h LEU 19 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2j28 h LEU 19 CO -0.65 0.00 -0.17 0.55 0.09 0.00 0.00 178.44 178.26 2j28 n VAL 20 N -4.23 0.55 -0.08 1.22 3.14 0.30 -4.07 118.33 115.16 2j28 n VAL 20 Ca -0.03 -0.29 -0.06 0.00 -2.96 0.00 0.00 64.34 61.00 2j28 n VAL 20 Cb 0.09 -0.47 -0.15 0.00 -1.06 0.00 0.00 33.84 32.25 2j28 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2j28 n ALA 21 N -1.80 1.76 -0.30 1.55 0.00 -0.66 -4.70 120.51 116.36 2j28 n ALA 21 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2j28 n ALA 21 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2j28 n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2j28 n ASP 22 N -2.61 0.00 -0.47 0.00 8.00 -0.93 -1.67 116.55 118.87 2j28 n ASP 22 Ca -0.26 0.85 0.00 0.00 0.71 0.00 0.00 54.79 56.09 2j28 n ASP 22 Cb 1.01 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2j28 n ASP 22 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2j28 n LEU 23 N -2.06 0.45 -2.08 0.64 -0.00 -1.26 -3.05 117.00 109.64 2j28 n LEU 23 Ca 0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 56.01 55.74 2j28 n LEU 23 Cb 0.00 -0.23 0.06 0.00 -0.00 0.00 0.00 43.42 43.25 2j28 n LEU 23 CO 0.00 0.11 0.10 -0.38 -0.00 0.00 0.00 177.39 177.22 2j28 n ILE 24 N 0.21 1.47 0.00 1.96 2.08 -0.67 -5.07 119.36 119.35 2j28 n ILE 24 Ca 0.00 -2.93 0.00 0.00 0.56 0.00 0.00 62.75 60.38 2j28 n ILE 24 Cb 0.11 0.41 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 2j28 n ILE 24 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 2j28 n ARG 25 N -0.48 0.00 -0.78 0.38 -4.01 -1.17 -4.95 116.66 105.65 2j28 n ARG 25 Ca 0.18 0.00 -0.26 0.00 -1.04 0.00 0.00 57.85 56.73 2j28 n ARG 25 Cb 0.90 0.00 0.02 0.00 -3.04 0.00 0.00 32.46 30.34 2j28 n ARG 25 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2j28 n GLY 26 N 5.00 -2.71 7.00 2.89 0.00 -1.12 -4.63 105.19 111.63 2j28 n GLY 26 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2j28 n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j28 n LYS 27 N 1.37 0.00 0.00 1.61 4.01 0.62 -4.81 118.16 120.96 2j28 n LYS 27 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 2j28 n LYS 27 Cb 0.35 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.87 2j28 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2j28 n LYS 28 N 0.00 0.00 0.00 1.97 5.02 -1.26 -4.28 118.16 119.61 2j28 n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2j28 n LYS 28 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2j28 n LYS 28 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2j28 n VAL 29 N 0.00 0.00 -0.03 -0.18 0.31 -1.26 -3.80 118.33 113.37 2j28 n VAL 29 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2j28 n VAL 29 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 2j28 n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2j28 h SER 30 N 0.00 0.78 -0.02 4.52 0.02 -1.87 -1.92 113.55 115.06 2j28 h SER 30 Ca 0.00 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 2j28 h SER 30 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2j28 h SER 30 CO 0.00 1.17 -0.06 1.56 -1.14 0.00 0.00 176.83 178.36 2j28 h GLN 31 N 0.53 0.07 -0.63 3.45 4.20 -1.93 -3.12 115.11 117.67 2j28 h GLN 31 Ca 0.01 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.78 2j28 h GLN 31 Cb 1.13 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.80 2j28 h GLN 31 CO 0.11 0.70 -0.28 0.00 -0.67 0.00 0.00 178.83 178.69 2j28 h ALA 32 N 0.37 0.14 -0.53 3.87 0.00 -1.81 1.97 119.26 123.27 2j28 h ALA 32 Ca -0.00 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2j28 h ALA 32 Cb 0.71 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2j28 h ALA 32 CO 0.01 -0.58 0.36 -0.07 0.00 0.00 0.00 179.25 178.97 2j28 h LEU 33 N -0.10 0.24 0.02 0.00 -0.00 -1.42 0.41 115.31 114.46 2j28 h LEU 33 Ca 0.27 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2j28 h LEU 33 Cb 0.54 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2j28 h LEU 33 CO -0.70 0.14 -0.01 0.44 -0.00 0.00 0.00 178.44 178.31 2j28 h ASP 34 N 0.27 -0.03 -0.59 -0.43 3.32 0.12 -2.14 116.42 116.94 2j28 h ASP 34 Ca 0.25 -0.71 0.12 0.00 0.02 0.00 0.00 57.03 56.70 2j28 h ASP 34 Cb 0.63 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.07 2j28 h ASP 34 CO -0.05 0.78 -0.18 0.40 -1.72 0.00 0.00 179.24 178.46 2j28 h ILE 35 N -0.91 0.35 0.09 0.35 2.04 0.35 -2.24 117.51 117.54 2j28 h ILE 35 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2j28 h ILE 35 Cb 0.74 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2j28 h ILE 35 CO 0.01 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 178.04 2j28 h LEU 36 N -0.04 -0.10 -1.56 1.44 3.38 -0.32 -2.83 115.31 115.28 2j28 h LEU 36 Ca 0.28 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2j28 h LEU 36 Cb 0.47 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2j28 h LEU 36 CO -0.63 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.11 2j28 h THR 37 N -0.42 0.00 -0.01 0.22 1.03 -0.96 -2.57 112.91 110.20 2j28 h THR 37 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 2j28 h THR 37 Cb 0.35 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 2j28 h THR 37 CO 0.02 0.00 -0.13 -1.22 -0.01 0.00 0.00 175.52 174.18 2j28 n TYR 38 N -2.33 0.00 -3.06 0.00 4.02 -0.88 -4.89 117.16 110.02 2j28 n TYR 38 Ca -0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.43 2j28 n TYR 38 Cb 0.04 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.32 2j28 n TYR 38 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2j28 s THR 39 N -1.07 4.80 0.01 -0.72 -1.32 -0.97 -5.02 115.64 111.35 2j28 s THR 39 Ca 0.07 -1.12 -0.30 0.00 -1.21 0.00 0.00 61.69 59.12 2j28 s THR 39 Cb 0.06 -4.56 -0.06 0.00 -1.51 0.00 0.00 72.50 66.43 2j28 s THR 39 CO 0.18 -1.23 1.49 0.20 -2.21 0.00 0.00 174.62 173.05 2j28 s ASN 40 N 3.51 6.76 0.00 8.08 -0.87 -1.26 -4.83 114.94 126.33 2j28 s ASN 40 Ca 0.17 2.22 0.00 0.00 -1.57 0.00 0.00 52.86 53.68 2j28 s ASN 40 Cb -0.19 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.48 2j28 s ASN 40 CO 0.03 -0.79 0.00 2.29 -2.57 0.00 0.00 177.10 176.06 2j28 n LYS 41 N 5.65 0.00 0.27 -0.60 2.85 -1.26 -4.99 118.16 120.08 2j28 n LYS 41 Ca 0.14 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.46 2j28 n LYS 41 Cb 0.43 0.00 0.32 0.00 -0.65 0.00 0.00 35.03 35.13 2j28 n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2j28 h LYS 42 N 0.00 0.00 -1.15 -1.58 3.11 -2.01 -1.04 116.57 113.91 2j28 h LYS 42 Ca 0.00 0.00 0.35 0.00 -2.81 0.00 0.00 60.65 58.19 2j28 h LYS 42 Cb 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.11 2j28 h LYS 42 CO 0.00 0.00 0.72 0.00 -2.81 0.00 0.00 179.45 177.36 2j28 h ALA 43 N 0.65 2.39 0.00 5.00 0.00 -1.93 0.23 119.26 125.60 2j28 h ALA 43 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2j28 h ALA 43 Cb 1.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2j28 h ALA 43 CO 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.32 2j28 n ALA 44 N -2.46 1.21 -2.35 0.00 0.00 -0.39 -4.72 120.51 111.81 2j28 n ALA 44 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 2j28 n ALA 44 Cb 1.13 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 2j28 n ALA 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2j28 s VAL 45 N -0.91 4.25 -0.16 0.00 -7.23 0.82 -3.64 120.40 113.53 2j28 s VAL 45 Ca 0.00 1.75 0.00 0.00 -1.81 0.00 0.00 61.98 61.92 2j28 s VAL 45 Cb 0.00 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 32.82 2j28 s VAL 45 CO 0.00 0.21 0.00 0.18 -0.31 0.00 0.00 175.10 175.18 2j28 n LEU 46 N 3.24 0.26 -0.09 1.32 4.77 -1.26 -4.61 117.00 120.62 2j28 n LEU 46 Ca 0.05 0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 2j28 n LEU 46 Cb 0.48 -1.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.08 2j28 n LEU 46 CO 0.53 -0.44 -0.38 0.58 -1.33 0.00 0.00 177.39 176.35 2j28 h VAL 47 N 0.00 0.80 0.00 4.08 2.07 -1.84 0.26 116.25 121.62 2j28 h VAL 47 Ca -0.03 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 2j28 h VAL 47 Cb 0.46 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2j28 h VAL 47 CO 0.04 0.27 -0.23 0.50 0.02 0.00 0.00 177.57 178.17 2j28 h LYS 48 N -1.00 0.00 0.05 1.57 3.64 -1.82 -1.47 116.57 117.54 2j28 h LYS 48 Ca -0.24 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2j28 h LYS 48 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2j28 h LYS 48 CO -0.14 0.23 -0.02 0.87 -2.27 0.00 0.00 179.45 178.12 2j28 h LYS 49 N 0.00 -0.06 -0.43 1.90 1.57 -1.83 -2.62 116.57 115.10 2j28 h LYS 49 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2j28 h LYS 49 Cb 0.51 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2j28 h LYS 49 CO 0.03 0.58 0.23 -0.39 -0.57 0.00 0.00 179.45 179.33 2j28 h VAL 50 N -0.82 1.14 -0.56 0.50 -1.51 -0.28 0.53 116.25 115.25 2j28 h VAL 50 Ca -0.01 -0.36 -0.07 0.00 -1.23 0.00 0.00 66.70 65.03 2j28 h VAL 50 Cb 0.67 0.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 2j28 h VAL 50 CO 0.01 0.15 0.06 0.25 -1.23 0.00 0.00 177.57 176.82 2j28 h LEU 51 N 0.59 0.86 -1.06 4.19 5.85 -1.34 1.91 115.31 126.32 2j28 h LEU 51 Ca 0.15 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2j28 h LEU 51 Cb 0.03 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2j28 h LEU 51 CO -0.02 0.89 0.59 -0.33 -0.34 0.00 0.00 178.44 179.22 2j28 h GLU 52 N 0.85 1.22 0.01 1.25 5.08 -0.56 0.18 114.58 122.61 2j28 h GLU 52 Ca 0.17 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2j28 h GLU 52 Cb 0.42 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2j28 h GLU 52 CO 0.01 0.83 -0.24 0.77 -1.00 0.00 0.00 179.01 179.38 2j28 h SER 53 N 1.25 0.20 0.00 1.42 0.02 -0.04 0.14 113.55 116.54 2j28 h SER 53 Ca 0.33 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2j28 h SER 53 Cb -0.11 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2j28 h SER 53 CO -0.07 0.99 0.10 0.00 -1.14 0.00 0.00 176.83 176.72 2j28 h ALA 54 N 0.21 1.10 0.00 3.77 0.00 0.33 0.27 119.26 124.93 2j28 h ALA 54 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 2j28 h ALA 54 Cb 1.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2j28 h ALA 54 CO 0.05 -0.10 -2.34 1.51 0.00 0.00 0.00 179.25 178.36 2j28 n ILE 55 N -2.88 1.35 -0.13 0.00 0.13 0.61 -3.84 119.36 114.60 2j28 n ILE 55 Ca -0.02 -0.74 -0.10 0.00 -1.10 0.00 0.00 62.75 60.79 2j28 n ILE 55 Cb 0.16 -0.74 -0.02 0.00 -0.84 0.00 0.00 39.64 38.20 2j28 n ILE 55 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2j28 h ALA 56 N 0.67 0.52 0.63 1.51 0.00 0.55 -1.83 119.26 121.32 2j28 h ALA 56 Ca -0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 2j28 h ALA 56 Cb 2.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2j28 h ALA 56 CO -0.00 0.25 -0.36 -0.91 0.00 0.00 0.00 179.25 178.23 2j28 h ASN 57 N 0.49 -0.88 0.00 0.00 -0.26 -0.75 0.31 115.58 114.50 2j28 h ASN 57 Ca 0.11 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2j28 h ASN 57 Cb 0.41 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 2j28 h ASN 57 CO 0.01 -0.57 0.03 0.00 -1.06 0.00 0.00 177.43 175.84 2j28 n ALA 58 N -2.55 1.08 -0.04 -0.83 0.00 -1.15 -1.57 120.51 115.45 2j28 n ALA 58 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 2j28 n ALA 58 Cb 0.39 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 2j28 n ALA 58 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2j28 n GLU 59 N -1.18 0.26 -0.03 0.00 2.13 -0.21 -3.85 120.64 117.76 2j28 n GLU 59 Ca 0.00 0.10 -0.09 0.00 0.66 0.00 0.00 57.16 57.84 2j28 n GLU 59 Cb 0.03 -0.92 -0.02 0.00 0.27 0.00 0.00 31.44 30.81 2j28 n GLU 59 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2j28 h HIS 60 N -0.49 -0.57 -1.14 4.31 2.76 -0.20 -2.94 115.15 116.88 2j28 h HIS 60 Ca 0.00 0.03 -0.63 0.00 -2.20 0.00 0.00 60.37 57.57 2j28 h HIS 60 Cb 0.49 0.28 -0.36 0.00 1.55 0.00 0.00 27.41 29.37 2j28 h HIS 60 CO -0.21 -0.30 0.06 0.27 -1.30 0.00 0.00 177.93 176.45 2j28 n ASN 61 N -5.36 6.24 -3.65 3.26 0.23 -0.61 -5.00 115.26 110.38 2j28 n ASN 61 Ca -0.02 -3.77 -0.02 0.00 -0.53 0.00 0.00 54.58 50.24 2j28 n ASN 61 Cb 0.27 -0.69 -0.00 0.00 -2.08 0.00 0.00 39.78 37.28 2j28 n ASN 61 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2j28 s ASP 62 N -2.61 -0.10 0.00 0.53 1.01 -1.11 -4.86 116.67 109.53 2j28 s ASP 62 Ca 0.56 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.44 2j28 s ASP 62 Cb 0.45 0.39 0.00 0.00 1.01 0.00 0.00 42.92 44.76 2j28 s ASP 62 CO -0.08 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.18 2j28 n GLY 63 N -0.54 1.01 1.45 0.21 0.00 -1.25 -4.43 105.19 101.64 2j28 n GLY 63 Ca -0.06 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2j28 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j28 n ALA 64 N -3.00 -2.73 -3.00 4.61 0.00 -1.26 -4.44 120.51 110.68 2j28 n ALA 64 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2j28 n ALA 64 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2j28 n ALA 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2j28 n ASP 65 N -3.43 0.00 -0.11 0.00 8.00 -1.26 -4.91 116.55 114.84 2j28 n ASP 65 Ca -0.04 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.31 2j28 n ASP 65 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.52 2j28 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j28 n ILE 66 N 0.00 1.30 0.31 0.53 0.13 -1.26 -4.34 119.36 116.04 2j28 n ILE 66 Ca 0.00 -0.56 0.15 0.00 -1.10 0.00 0.00 62.75 61.24 2j28 n ILE 66 Cb 0.00 -1.14 0.68 0.00 -0.84 0.00 0.00 39.64 38.35 2j28 n ILE 66 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2j28 h ASP 67 N 0.00 0.00 -2.62 9.51 3.32 -1.98 -3.44 116.42 121.21 2j28 h ASP 67 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2j28 h ASP 67 Cb 1.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.42 2j28 h ASP 67 CO -0.06 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.93 2j28 n ASP 68 N -2.64 0.00 -1.70 6.45 8.00 -1.26 -5.00 116.55 120.40 2j28 n ASP 68 Ca 0.00 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.91 2j28 n ASP 68 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2j28 n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2j28 n LEU 69 N 0.00 -6.04 0.00 0.64 7.99 -1.26 -4.88 117.00 113.45 2j28 n LEU 69 Ca 0.00 2.96 0.00 0.00 -0.01 0.00 0.00 56.01 58.96 2j28 n LEU 69 Cb 0.00 -2.76 0.00 0.00 -0.11 0.00 0.00 43.42 40.55 2j28 n LEU 69 CO 0.00 -0.61 0.11 0.29 -1.51 0.00 0.00 177.39 175.67 2j28 n LYS 70 N 0.45 -0.17 -2.99 3.23 5.02 -1.26 -4.62 118.16 117.82 2j28 n LYS 70 Ca 0.00 -0.23 -0.11 0.00 -2.02 0.00 0.00 58.31 55.95 2j28 n LYS 70 Cb 0.00 -0.65 0.01 0.00 -0.02 0.00 0.00 35.03 34.37 2j28 n LYS 70 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2j28 n VAL 71 N -0.02 -9.91 -0.11 -0.18 0.31 -1.26 0.23 118.33 107.40 2j28 n VAL 71 Ca 0.00 0.61 -0.08 0.00 -0.01 0.00 0.00 64.34 64.87 2j28 n VAL 71 Cb 0.20 -6.68 -0.02 0.00 -0.91 0.00 0.00 33.84 26.43 2j28 n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j28 h THR 72 N 1.74 0.24 -2.81 2.52 1.03 -1.70 -2.96 112.91 110.97 2j28 h THR 72 Ca -0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.23 2j28 h THR 72 Cb 1.06 0.24 -0.18 0.00 -1.07 0.00 0.00 68.15 68.20 2j28 h THR 72 CO 0.22 0.00 -0.07 -0.54 -0.01 0.00 0.00 175.52 175.12 2j28 s LYS 73 N -6.00 0.91 0.05 0.00 -0.14 -1.20 -4.39 119.74 108.96 2j28 s LYS 73 Ca -0.15 -0.19 -0.03 0.00 -1.36 0.00 0.00 55.97 54.24 2j28 s LYS 73 Cb 0.13 0.41 -0.02 0.00 -1.68 0.00 0.00 37.83 36.67 2j28 s LYS 73 CO 0.68 -0.30 0.03 0.96 -0.76 0.00 0.00 175.35 175.96 2j28 s ILE 74 N -1.98 0.17 -0.01 2.17 -4.36 -1.26 -2.90 121.20 113.03 2j28 s ILE 74 Ca -0.08 -1.44 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 2j28 s ILE 74 Cb -0.02 -1.19 0.10 0.00 1.25 0.00 0.00 42.46 42.60 2j28 s ILE 74 CO 0.01 -0.79 1.00 0.72 0.24 0.00 0.00 174.94 176.12 2j28 s PHE 75 N -3.31 -0.23 -0.04 1.37 -0.12 -1.25 -5.06 117.98 109.34 2j28 s PHE 75 Ca 0.01 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.99 2j28 s PHE 75 Cb 0.03 0.56 0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2j28 s PHE 75 CO -0.08 -0.51 -0.05 0.14 -0.05 0.00 0.00 175.22 174.67 2j28 s VAL 76 N -2.96 0.57 0.10 -2.49 -7.23 -1.26 -4.37 120.40 102.77 2j28 s VAL 76 Ca 0.08 -0.16 0.06 0.00 -1.81 0.00 0.00 61.98 60.15 2j28 s VAL 76 Cb -0.01 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 2j28 s VAL 76 CO -0.05 0.22 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.10 2j28 s ASP 77 N 0.77 4.73 0.34 4.85 1.01 -0.93 -4.93 116.67 122.51 2j28 s ASP 77 Ca -0.11 -0.28 -0.27 0.00 0.71 0.00 0.00 52.55 52.60 2j28 s ASP 77 Cb -0.14 -1.03 -0.09 0.00 1.01 0.00 0.00 42.92 42.68 2j28 s ASP 77 CO 0.00 0.17 1.08 -1.61 0.21 0.00 0.00 175.17 175.02 2j28 s GLU 78 N -2.30 4.39 0.38 8.23 2.02 -1.26 0.40 118.70 130.56 2j28 s GLU 78 Ca 0.24 1.67 0.04 0.00 0.02 0.00 0.00 54.97 56.93 2j28 s GLU 78 Cb -0.11 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2j28 s GLU 78 CO 0.16 0.02 0.10 0.20 0.02 0.00 0.00 175.26 175.77 2j28 s GLY 79 N -1.22 2.44 -0.84 -1.39 0.00 -0.12 -4.74 107.32 101.45 2j28 s GLY 79 Ca 0.51 -1.46 -0.21 0.00 0.00 0.00 0.00 44.72 43.56 2j28 s GLY 79 CO 0.35 -1.84 2.36 -1.05 0.00 0.00 0.00 173.10 172.92 2j28 n PRO 80 N -0.85 0.38 -2.47 2.90 -0.02 -1.26 -4.22 135.00 129.46 2j28 n PRO 80 Ca -0.05 -0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 60.75 2j28 n PRO 80 Cb 0.66 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2j28 n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2j28 s SER 81 N 7.35 6.52 0.45 2.55 1.04 -1.26 -4.80 113.70 125.54 2j28 s SER 81 Ca 1.11 1.38 -0.17 0.00 0.48 0.00 0.00 55.95 58.75 2j28 s SER 81 Cb -0.49 -2.43 -0.09 0.00 0.10 0.00 0.00 66.02 63.11 2j28 s SER 81 CO 0.31 -0.57 0.92 -0.32 0.98 0.00 0.00 173.24 174.56 2j28 s MET 82 N -4.20 4.03 -0.32 4.02 -2.45 -1.26 -4.84 119.30 114.29 2j28 s MET 82 Ca 0.55 0.92 0.03 0.00 -1.25 0.00 0.00 55.69 55.94 2j28 s MET 82 Cb -0.10 -2.22 0.09 0.00 1.25 0.00 0.00 34.83 33.85 2j28 s MET 82 CO 0.35 -0.11 0.03 -1.59 1.05 0.00 0.00 175.02 174.75 2j28 s LYS 83 N -3.61 1.51 0.56 4.11 0.00 -1.26 -0.61 119.74 120.44 2j28 s LYS 83 Ca 0.58 -1.67 0.07 0.00 0.00 0.00 0.00 55.97 54.96 2j28 s LYS 83 Cb -0.10 -2.99 0.07 0.00 0.00 0.00 0.00 37.83 34.81 2j28 s LYS 83 CO 0.23 -0.88 0.58 -2.13 0.00 0.00 0.00 175.35 173.16 2j28 n ARG 84 N 4.37 0.65 -4.29 1.78 0.63 -0.66 -4.96 116.66 114.17 2j28 n ARG 84 Ca -0.00 -3.28 -0.18 0.00 -0.92 0.00 0.00 57.85 53.47 2j28 n ARG 84 Cb 0.42 0.09 -0.14 0.00 0.45 0.00 0.00 32.46 33.29 2j28 n ARG 84 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2j28 s ILE 85 N -2.66 0.68 -0.05 5.15 -1.16 -1.26 -1.27 121.20 120.64 2j28 s ILE 85 Ca 0.44 -0.51 0.03 0.00 -0.51 0.00 0.00 60.65 60.09 2j28 s ILE 85 Cb -0.04 -0.60 -0.03 0.00 0.61 0.00 0.00 42.46 42.40 2j28 s ILE 85 CO 0.28 0.09 -0.11 -0.32 -2.81 0.00 0.00 174.94 172.07 2j28 s MET 86 N -0.48 2.58 0.00 3.50 -2.45 0.11 -4.91 119.30 117.66 2j28 s MET 86 Ca 0.01 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.80 2j28 s MET 86 Cb -0.05 -2.47 0.00 0.00 1.25 0.00 0.00 34.83 33.57 2j28 s MET 86 CO -0.00 0.63 0.72 -2.30 1.05 0.00 0.00 175.02 175.12 2j28 n PRO 87 N 2.16 0.00 0.00 4.11 -0.02 -1.26 -1.76 135.00 138.22 2j28 n PRO 87 Ca -0.17 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2j28 n PRO 87 Cb 0.52 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2j28 n PRO 87 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2j28 n ARG 88 N -1.41 0.00 -0.87 -0.52 3.00 -1.26 -3.24 116.66 112.36 2j28 n ARG 88 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2j28 n ARG 88 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 32.46 32.61 2j28 n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2j28 s ALA 89 N -3.05 1.51 0.01 5.13 0.00 -1.26 -4.68 121.76 119.43 2j28 s ALA 89 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2j28 s ALA 89 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2j28 s ALA 89 CO 0.00 -2.57 0.00 1.63 0.00 0.00 0.00 175.76 174.82 2j28 n LYS 90 N -4.09 -0.13 0.28 0.00 4.76 -1.26 -3.25 118.16 114.48 2j28 n LYS 90 Ca 0.10 0.09 0.18 0.00 -2.87 0.00 0.00 58.31 55.81 2j28 n LYS 90 Cb 0.53 -0.16 0.75 0.00 -1.84 0.00 0.00 35.03 34.31 2j28 n LYS 90 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2j28 h GLY 91 N -0.06 0.00 -2.93 0.72 0.00 -1.94 -3.45 103.07 95.40 2j28 h GLY 91 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2j28 h GLY 91 CO 0.00 0.00 -1.65 0.54 0.00 0.00 0.00 176.54 175.43 2j28 n ARG 92 N -3.07 -0.03 -3.66 4.80 1.74 -1.20 -5.02 116.66 110.22 2j28 n ARG 92 Ca 0.00 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2j28 n ARG 92 Cb 0.27 -1.11 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 2j28 n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2j28 s ALA 93 N -2.04 -1.51 0.12 7.54 0.00 -1.20 -4.36 121.76 120.31 2j28 s ALA 93 Ca 0.43 1.68 0.09 0.00 0.00 0.00 0.00 51.96 54.16 2j28 s ALA 93 Cb -0.21 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2j28 s ALA 93 CO 0.80 -0.29 -0.20 -0.51 0.00 0.00 0.00 175.76 175.55 2j28 s ASP 94 N 0.23 2.64 0.03 0.00 1.01 -0.72 -4.99 116.67 114.87 2j28 s ASP 94 Ca -0.01 -0.75 -0.22 0.00 0.71 0.00 0.00 52.55 52.29 2j28 s ASP 94 Cb -0.04 -0.15 -0.06 0.00 1.01 0.00 0.00 42.92 43.68 2j28 s ASP 94 CO 0.01 0.04 0.65 -0.13 0.21 0.00 0.00 175.17 175.95 2j28 s ARG 95 N -2.20 4.37 -0.10 8.23 1.81 -1.26 -0.71 118.95 129.09 2j28 s ARG 95 Ca 0.10 0.85 0.01 0.00 -1.72 0.00 0.00 55.73 54.96 2j28 s ARG 95 Cb -0.09 -3.33 -0.02 0.00 -0.45 0.00 0.00 34.95 31.06 2j28 s ARG 95 CO 0.05 0.39 -0.12 -1.50 -0.68 0.00 0.00 175.30 173.44 2j28 s ILE 96 N -0.33 3.21 -0.22 1.52 2.07 -0.40 -4.91 121.20 122.15 2j28 s ILE 96 Ca 0.33 -0.63 -0.09 0.00 -1.41 0.00 0.00 60.65 58.84 2j28 s ILE 96 Cb -0.19 -2.32 -0.05 0.00 0.13 0.00 0.00 42.46 40.03 2j28 s ILE 96 CO 0.19 0.55 0.12 -0.76 -1.91 0.00 0.00 174.94 173.14 2j28 s LEU 97 N -0.12 4.01 0.19 8.50 1.43 -1.26 -1.66 118.68 129.77 2j28 s LEU 97 Ca -0.01 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2j28 s LEU 97 Cb -0.14 -2.05 0.11 0.00 0.03 0.00 0.00 46.19 44.14 2j28 s LEU 97 CO 0.03 0.11 1.51 0.50 0.23 0.00 0.00 176.35 178.73 2j28 h LYS 98 N 7.20 0.58 -2.74 1.70 1.63 -1.19 -3.49 116.57 120.27 2j28 h LYS 98 Ca -0.38 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.06 2j28 h LYS 98 Cb 1.17 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2j28 h LYS 98 CO 0.68 0.97 -0.69 0.54 -3.45 0.00 0.00 179.45 177.50 2j28 n ARG 99 N -3.97 -3.24 -3.65 1.90 5.12 -1.26 -4.63 116.66 106.92 2j28 n ARG 99 Ca -0.03 2.45 -0.05 0.00 -1.93 0.00 0.00 57.85 58.29 2j28 n ARG 99 Cb 0.59 -2.87 -0.02 0.00 -1.16 0.00 0.00 32.46 29.01 2j28 n ARG 99 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2j28 s THR 100 N -3.82 0.00 0.17 0.55 -1.32 -1.26 -3.72 115.64 106.23 2j28 s THR 100 Ca 0.00 -0.39 -0.23 0.00 -1.21 0.00 0.00 61.69 59.85 2j28 s THR 100 Cb 0.00 -1.59 0.06 0.00 -1.51 0.00 0.00 72.50 69.46 2j28 s THR 100 CO 0.00 0.00 0.71 -0.94 -2.21 0.00 0.00 174.62 172.18 2j28 s SER 101 N -2.76 -0.41 -0.28 8.08 1.04 -0.98 -0.95 113.70 117.44 2j28 s SER 101 Ca 0.09 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 2j28 s SER 101 Cb -0.01 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 2j28 s SER 101 CO -0.02 -1.02 0.13 -1.00 0.98 0.00 0.00 173.24 172.30 2j28 s HIS 102 N -3.66 3.15 0.00 5.02 3.76 0.16 0.22 115.29 123.94 2j28 s HIS 102 Ca 0.06 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2j28 s HIS 102 Cb -0.03 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.35 2j28 s HIS 102 CO -0.05 -0.37 0.00 -0.89 -0.85 0.00 0.00 174.74 172.58 2j28 n ILE 103 N 4.97 0.00 -1.07 0.60 2.08 -1.26 -2.20 119.36 122.49 2j28 n ILE 103 Ca -0.15 0.41 0.00 0.00 0.56 0.00 0.00 62.75 63.58 2j28 n ILE 103 Cb 0.51 -1.40 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 2j28 n ILE 103 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2j28 n THR 104 N 0.00 -4.04 -3.92 1.39 -1.04 -1.21 -4.15 114.28 101.32 2j28 n THR 104 Ca 0.00 0.58 -0.12 0.00 -2.04 0.00 0.00 64.05 62.47 2j28 n THR 104 Cb 0.00 -3.21 -0.14 0.00 -1.82 0.00 0.00 70.33 65.17 2j28 n THR 104 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2j28 s VAL 105 N -0.10 0.06 -0.06 12.58 0.11 0.46 -3.75 120.40 129.70 2j28 s VAL 105 Ca 0.00 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2j28 s VAL 105 Cb 0.00 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.77 2j28 s VAL 105 CO 0.00 -0.07 -0.16 0.68 -3.33 0.00 0.00 175.10 172.22 2j28 s VAL 106 N -0.26 1.40 -0.35 2.04 -7.23 -1.14 0.44 120.40 115.30 2j28 s VAL 106 Ca -0.02 -0.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.54 2j28 s VAL 106 Cb -0.02 -1.23 0.46 0.00 0.56 0.00 0.00 36.38 36.15 2j28 s VAL 106 CO -0.00 0.41 1.38 1.33 -0.31 0.00 0.00 175.10 177.91 2j28 n VAL 107 N 3.49 2.70 0.00 1.32 0.24 -1.24 -2.14 118.33 122.70 2j28 n VAL 107 Ca -0.20 -3.71 0.00 0.00 -2.04 0.00 0.00 64.34 58.38 2j28 n VAL 107 Cb 0.52 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 2j28 n VAL 107 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2j28 n SER 108 N -0.84 0.00 -4.83 -1.34 3.41 -1.23 -4.55 113.62 104.25 2j28 n SER 108 Ca 0.44 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.79 2j28 n SER 108 Cb 0.90 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.93 2j28 n SER 108 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2j28 s ASP 109 N -1.75 4.63 0.00 4.04 3.68 -1.26 -4.95 116.67 121.06 2j28 s ASP 109 Ca 0.00 0.32 0.00 0.00 2.13 0.00 0.00 52.55 55.00 2j28 s ASP 109 Cb 0.00 -0.90 0.00 0.00 -1.45 0.00 0.00 42.92 40.57 2j28 s ASP 109 CO 0.00 -1.71 0.00 -1.14 0.13 0.00 0.00 175.17 172.45