#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n GLU 2 N 0.00 0.46 -1.57 0.03 -0.58 -1.26 -3.67 120.64 114.05 3df2 n GLU 2 Ca 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 3df2 n GLU 2 Cb 0.00 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3df2 n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3df2 n THR 3 N -3.60 -0.61 -3.68 2.62 5.66 -1.26 -3.90 114.28 109.50 3df2 n THR 3 Ca -0.39 0.07 -0.17 0.00 -3.05 0.00 0.00 64.05 60.51 3df2 n THR 3 Cb 0.82 -1.27 0.01 0.00 -1.55 0.00 0.00 70.33 68.34 3df2 n THR 3 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3df2 n ILE 4 N 1.51 0.00 -3.65 1.09 -6.64 -1.26 -3.65 119.36 106.76 3df2 n ILE 4 Ca 0.00 -1.45 -0.04 0.00 -1.77 0.00 0.00 62.75 59.49 3df2 n ILE 4 Cb 0.07 -0.23 -0.07 0.00 -1.44 0.00 0.00 39.64 37.96 3df2 n ILE 4 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3df2 s ALA 5 N -2.53 -2.18 0.22 -1.28 0.00 -0.99 -4.91 121.76 110.08 3df2 s ALA 5 Ca 0.23 1.71 0.03 0.00 0.00 0.00 0.00 51.96 53.93 3df2 s ALA 5 Cb -0.02 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 3df2 s ALA 5 CO 0.15 -0.13 0.22 0.36 0.00 0.00 0.00 175.76 176.37 3df2 n LYS 6 N 1.62 0.32 -3.70 0.00 0.00 -1.26 -1.78 118.16 113.36 3df2 n LYS 6 Ca -0.10 -2.04 -0.26 0.00 -0.00 0.00 0.00 58.31 55.91 3df2 n LYS 6 Cb 0.57 1.76 -0.17 0.00 -0.00 0.00 0.00 35.03 37.19 3df2 n LYS 6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3df2 s HIS 7 N -3.11 0.66 0.36 5.58 5.65 0.61 -5.01 115.29 120.04 3df2 s HIS 7 Ca 0.24 -0.51 -0.12 0.00 0.25 0.00 0.00 55.06 54.92 3df2 s HIS 7 Cb 0.01 -0.86 -0.07 0.00 -1.18 0.00 0.00 32.58 30.48 3df2 s HIS 7 CO 0.17 -0.51 0.73 1.03 -0.65 0.00 0.00 174.74 175.51 3df2 s ARG 8 N 1.98 3.84 -1.16 2.88 0.52 -1.26 -1.65 118.95 124.10 3df2 s ARG 8 Ca 0.01 0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 55.55 3df2 s ARG 8 Cb -0.16 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 3df2 s ARG 8 CO -0.08 0.06 0.77 0.72 0.02 0.00 0.00 175.30 176.79 3df2 n HIS 9 N -0.92 -1.94 -1.73 -0.53 8.25 -1.12 -4.89 115.22 112.36 3df2 n HIS 9 Ca 0.02 0.54 -0.39 0.00 -0.26 0.00 0.00 57.72 57.63 3df2 n HIS 9 Cb 0.54 -3.60 0.03 0.00 1.12 0.00 0.00 29.99 28.08 3df2 n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3df2 n ALA 10 N -4.12 1.48 0.35 -1.41 0.00 0.15 -4.77 120.51 112.19 3df2 n ALA 10 Ca -0.12 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.58 3df2 n ALA 10 Cb 0.61 -2.32 0.46 0.00 0.00 0.00 0.00 19.45 18.19 3df2 n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df2 n ARG 11 N -0.68 0.14 -3.53 0.00 5.12 -1.26 -3.92 116.66 112.53 3df2 n ARG 11 Ca 0.09 0.44 -0.21 0.00 -1.93 0.00 0.00 57.85 56.24 3df2 n ARG 11 Cb 0.43 -1.81 -0.02 0.00 -1.16 0.00 0.00 32.46 29.90 3df2 n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3df2 s SER 12 N -3.95 5.03 0.67 0.55 0.15 -1.26 -4.99 113.70 109.89 3df2 s SER 12 Ca 0.03 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.87 3df2 s SER 12 Cb 0.08 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 3df2 s SER 12 CO 0.31 -0.78 0.00 -1.54 1.20 0.00 0.00 173.24 172.43 3df2 n SER 13 N -1.65 -0.48 0.00 5.45 3.41 -1.26 -3.80 113.62 115.28 3df2 n SER 13 Ca 0.04 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3df2 n SER 13 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3df2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3df2 n ALA 14 N -3.00 0.00 0.00 7.33 0.00 -1.20 -4.12 120.51 119.53 3df2 n ALA 14 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3df2 n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df2 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n GLN 15 N -1.96 0.00 0.00 0.00 10.64 -1.26 0.75 117.38 125.55 3df2 n GLN 15 Ca 0.00 0.15 -0.09 0.00 -1.83 0.00 0.00 57.00 55.22 3df2 n GLN 15 Cb 0.00 -1.55 -0.14 0.00 -0.86 0.00 0.00 30.24 27.70 3df2 n GLN 15 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 3df2 h LYS 16 N 0.00 0.03 0.06 2.61 1.57 -1.98 -3.32 116.57 115.55 3df2 h LYS 16 Ca 0.00 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 3df2 h LYS 16 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3df2 h LYS 16 CO 0.00 0.69 -1.14 0.28 -0.57 0.00 0.00 179.45 178.72 3df2 h VAL 17 N 0.01 1.12 0.00 0.50 2.07 0.18 -3.27 116.25 116.86 3df2 h VAL 17 Ca -0.23 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3df2 h VAL 17 Cb 1.96 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 34.42 3df2 h VAL 17 CO 0.10 0.58 0.00 -2.11 0.02 0.00 0.00 177.57 176.16 3df2 n ARG 18 N -4.18 0.33 -0.10 1.57 1.85 -0.84 -0.26 116.66 115.04 3df2 n ARG 18 Ca -0.24 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.50 3df2 n ARG 18 Cb 0.77 -1.05 -0.14 0.00 -1.05 0.00 0.00 32.46 31.00 3df2 n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3df2 n LEU 19 N -0.26 0.78 -0.11 2.89 7.94 -1.23 -4.62 117.00 122.39 3df2 n LEU 19 Ca 0.00 -0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 54.72 3df2 n LEU 19 Cb 0.02 0.12 -0.11 0.00 0.53 0.00 0.00 43.42 43.98 3df2 n LEU 19 CO 0.00 0.57 -1.21 0.55 -1.11 0.00 0.00 177.39 176.19 3df2 n VAL 20 N -2.82 1.28 -0.21 1.96 3.14 0.41 -4.48 118.33 117.62 3df2 n VAL 20 Ca -0.33 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 60.51 3df2 n VAL 20 Cb 1.06 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 3df2 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3df2 n ALA 21 N -3.07 2.72 0.00 1.55 0.00 0.64 -1.87 120.51 120.48 3df2 n ALA 21 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3df2 n ALA 21 Cb 0.95 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3df2 n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df2 n ASP 22 N 1.69 2.82 0.18 0.00 9.92 -1.26 -4.57 116.55 125.34 3df2 n ASP 22 Ca 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.40 3df2 n ASP 22 Cb 0.25 0.24 0.62 0.00 -0.64 0.00 0.00 41.12 41.59 3df2 n ASP 22 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3df2 h LEU 23 N 0.00 0.00 0.00 0.64 3.38 -1.66 -3.32 115.31 114.35 3df2 h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3df2 h LEU 23 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3df2 h LEU 23 CO 0.00 0.00 0.00 -0.38 0.09 0.00 0.00 178.44 178.15 3df2 n ILE 24 N -2.47 0.00 -0.65 1.22 5.41 -1.26 -4.89 119.36 116.72 3df2 n ILE 24 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3df2 n ILE 24 Cb 0.18 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 3df2 n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3df2 n ARG 25 N -0.94 0.00 0.00 0.38 0.63 -1.25 -2.55 116.66 112.92 3df2 n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3df2 n ARG 25 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3df2 n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3df2 n GLY 26 N 0.03 2.34 0.56 5.14 0.00 0.76 -5.02 105.19 109.00 3df2 n GLY 26 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 3df2 n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df2 n LYS 27 N 0.00 0.00 0.00 1.61 4.76 -1.06 -3.27 118.16 120.20 3df2 n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3df2 n LYS 27 Cb 0.00 -0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 3df2 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3df2 n LYS 28 N 0.84 0.00 0.08 1.97 0.00 -1.26 -2.23 118.16 117.55 3df2 n LYS 28 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 3df2 n LYS 28 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.12 3df2 n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3df2 n VAL 29 N 0.00 0.00 0.25 3.15 0.31 -1.26 -1.01 118.33 119.77 3df2 n VAL 29 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3df2 n VAL 29 Cb 0.00 -0.10 0.63 0.00 -0.91 0.00 0.00 33.84 33.46 3df2 n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3df2 h SER 30 N 0.00 0.00 0.00 4.52 0.02 -1.90 0.58 113.55 116.77 3df2 h SER 30 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3df2 h SER 30 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3df2 h SER 30 CO 0.00 0.00 -0.18 -0.61 -1.14 0.00 0.00 176.83 174.90 3df2 h GLN 31 N 0.00 0.00 -0.01 3.45 4.15 -1.88 -3.31 115.11 117.51 3df2 h GLN 31 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3df2 h GLN 31 Cb 0.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3df2 h GLN 31 CO 0.00 0.11 -0.14 0.00 -1.93 0.00 0.00 178.83 176.88 3df2 h ALA 32 N -0.91 1.76 -0.78 3.38 0.00 -1.02 -2.11 119.26 119.59 3df2 h ALA 32 Ca -0.01 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3df2 h ALA 32 Cb 0.26 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3df2 h ALA 32 CO -0.01 0.18 0.33 -0.07 0.00 0.00 0.00 179.25 179.69 3df2 h LEU 33 N 0.01 0.34 -1.10 0.00 3.38 0.02 0.26 115.31 118.22 3df2 h LEU 33 Ca 0.00 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3df2 h LEU 33 Cb 0.25 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3df2 h LEU 33 CO 0.02 0.13 0.61 0.44 0.09 0.00 0.00 178.44 179.72 3df2 h ASP 34 N 0.48 1.02 -0.03 -0.43 3.45 -1.46 -2.72 116.42 116.73 3df2 h ASP 34 Ca 0.43 -0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.90 3df2 h ASP 34 Cb 0.64 -0.24 -0.06 0.00 -0.56 0.00 0.00 39.33 39.12 3df2 h ASP 34 CO -0.40 0.71 -0.51 0.40 -1.57 0.00 0.00 179.24 177.87 3df2 h ILE 35 N 1.18 0.03 -0.19 0.35 1.08 -0.53 0.18 117.51 119.62 3df2 h ILE 35 Ca 0.36 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.89 3df2 h ILE 35 Cb -0.03 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 33.69 3df2 h ILE 35 CO -0.10 0.00 -0.26 -0.07 -0.69 0.00 0.00 178.15 177.03 3df2 h LEU 36 N -0.64 -0.81 -2.25 1.44 -0.00 -1.29 0.15 115.31 111.92 3df2 h LEU 36 Ca 0.03 0.14 0.05 0.00 -0.00 0.00 0.00 57.88 58.09 3df2 h LEU 36 Cb 0.71 0.37 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 3df2 h LEU 36 CO -0.37 -0.30 0.18 0.71 -0.00 0.00 0.00 178.44 178.67 3df2 h THR 37 N -0.29 0.48 -1.73 0.22 1.35 -1.15 -2.34 112.91 109.46 3df2 h THR 37 Ca 0.12 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.35 3df2 h THR 37 Cb 0.48 0.85 -0.39 0.00 -1.73 0.00 0.00 68.15 67.36 3df2 h THR 37 CO -0.36 0.00 -0.32 -1.22 -0.25 0.00 0.00 175.52 173.37 3df2 n TYR 38 N -3.81 3.39 -3.20 4.73 4.02 0.58 -4.89 117.16 117.98 3df2 n TYR 38 Ca 0.01 -3.06 0.00 0.00 -0.01 0.00 0.00 57.90 54.85 3df2 n TYR 38 Cb 0.30 -0.37 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 3df2 n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3df2 s THR 39 N -5.29 -0.89 -0.89 -0.72 -4.23 -0.87 -4.87 115.64 97.88 3df2 s THR 39 Ca 0.49 -0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 3df2 s THR 39 Cb 0.39 -0.96 0.08 0.00 1.34 0.00 0.00 72.50 73.34 3df2 s THR 39 CO -0.23 -0.05 1.23 0.20 -0.54 0.00 0.00 174.62 175.23 3df2 s ASN 40 N 2.76 6.45 -0.40 3.99 -0.87 -1.26 -4.79 114.94 120.82 3df2 s ASN 40 Ca 0.16 -1.46 0.06 0.00 -1.57 0.00 0.00 52.86 50.05 3df2 s ASN 40 Cb -0.14 -2.48 0.18 0.00 -0.02 0.00 0.00 41.25 38.79 3df2 s ASN 40 CO -0.22 -1.38 0.68 -0.54 -2.57 0.00 0.00 177.10 173.06 3df2 s LYS 41 N 4.10 0.74 0.00 -0.60 1.02 -1.26 -5.07 119.74 118.67 3df2 s LYS 41 Ca 0.36 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.13 3df2 s LYS 41 Cb -0.06 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 3df2 s LYS 41 CO -0.03 -1.08 0.00 1.17 -0.92 0.00 0.00 175.35 174.49 3df2 n LYS 42 N 4.36 0.00 -0.53 1.68 3.00 -1.26 0.11 118.16 125.52 3df2 n LYS 42 Ca 0.10 0.00 0.45 0.00 -0.00 0.00 0.00 58.31 58.86 3df2 n LYS 42 Cb 0.58 0.00 0.72 0.00 0.00 0.00 0.00 35.03 36.32 3df2 n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df2 h ALA 43 N 0.00 3.54 -0.25 3.14 0.00 -1.98 -2.21 119.26 121.50 3df2 h ALA 43 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3df2 h ALA 43 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3df2 h ALA 43 CO 0.00 -2.14 -0.26 0.00 0.00 0.00 0.00 179.25 176.85 3df2 h ALA 44 N 0.93 -0.46 -1.11 0.00 0.00 0.45 0.79 119.26 119.85 3df2 h ALA 44 Ca 0.77 0.01 0.31 0.00 0.00 0.00 0.00 54.91 56.01 3df2 h ALA 44 Cb 3.37 0.96 -0.11 0.00 0.00 0.00 0.00 17.79 22.02 3df2 h ALA 44 CO -0.01 -0.60 0.71 -0.39 0.00 0.00 0.00 179.25 178.96 3df2 h VAL 45 N -0.14 0.40 0.00 0.00 -1.51 -1.65 0.54 116.25 113.90 3df2 h VAL 45 Ca 0.04 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3df2 h VAL 45 Cb 0.26 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.48 3df2 h VAL 45 CO -0.31 0.06 0.00 0.18 -1.23 0.00 0.00 177.57 176.27 3df2 n LEU 46 N -4.67 0.03 -0.23 4.19 4.77 0.22 -0.38 117.00 120.93 3df2 n LEU 46 Ca 0.29 0.80 0.02 0.00 -0.03 0.00 0.00 56.01 57.10 3df2 n LEU 46 Cb 1.03 -0.32 0.14 0.00 -2.33 0.00 0.00 43.42 41.94 3df2 n LEU 46 CO 0.23 -0.32 1.00 -0.37 -1.33 0.00 0.00 177.39 176.60 3df2 h VAL 47 N 0.00 0.73 -0.87 4.08 -1.51 -1.06 0.49 116.25 118.11 3df2 h VAL 47 Ca 0.00 -0.15 0.20 0.00 -1.23 0.00 0.00 66.70 65.52 3df2 h VAL 47 Cb 0.00 0.25 -0.12 0.00 -2.13 0.00 0.00 31.29 29.29 3df2 h VAL 47 CO 0.00 0.08 0.36 0.50 -1.23 0.00 0.00 177.57 177.28 3df2 h LYS 48 N 0.44 0.39 0.04 5.19 1.63 0.09 0.66 116.57 124.99 3df2 h LYS 48 Ca 0.36 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.13 3df2 h LYS 48 Cb 0.48 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3df2 h LYS 48 CO -0.35 0.25 -0.02 -0.22 -3.45 0.00 0.00 179.45 175.67 3df2 h LYS 49 N 0.40 -0.05 -0.78 1.90 3.64 0.19 -2.68 116.57 119.18 3df2 h LYS 49 Ca 0.53 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 60.14 3df2 h LYS 49 Cb 0.96 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3df2 h LYS 49 CO -0.51 0.60 0.67 0.28 -2.27 0.00 0.00 179.45 178.22 3df2 h VAL 50 N -0.92 0.39 0.26 2.00 2.07 0.56 0.91 116.25 121.52 3df2 h VAL 50 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3df2 h VAL 50 Cb 0.67 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3df2 h VAL 50 CO 0.01 0.00 -0.12 0.25 0.02 0.00 0.00 177.57 177.72 3df2 h LEU 51 N 0.00 -0.29 0.00 2.57 5.85 0.30 -2.39 115.31 121.34 3df2 h LEU 51 Ca 0.37 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3df2 h LEU 51 Cb 1.71 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.82 3df2 h LEU 51 CO -0.00 0.20 0.00 -1.84 -0.34 0.00 0.00 178.44 176.46 3df2 n GLU 52 N -5.01 0.63 -0.12 1.25 0.28 0.12 0.48 120.64 118.28 3df2 n GLU 52 Ca -0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.99 3df2 n GLU 52 Cb 0.22 -1.32 0.12 0.00 1.43 0.00 0.00 31.44 31.89 3df2 n GLU 52 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3df2 n SER 53 N -0.82 2.62 0.00 -1.84 7.64 0.29 -4.13 113.62 117.39 3df2 n SER 53 Ca 0.10 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.16 3df2 n SER 53 Cb 0.04 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3df2 n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df2 n ALA 54 N 0.62 2.60 -0.23 -0.43 0.00 0.64 -4.35 120.51 119.36 3df2 n ALA 54 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.71 3df2 n ALA 54 Cb 0.39 0.39 0.49 0.00 0.00 0.00 0.00 19.45 20.71 3df2 n ALA 54 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3df2 h ILE 55 N 0.00 0.74 -0.11 0.00 6.09 -0.20 0.31 117.51 124.34 3df2 h ILE 55 Ca 0.00 -0.16 -0.07 0.00 -1.37 0.00 0.00 64.86 63.26 3df2 h ILE 55 Cb 0.77 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.30 3df2 h ILE 55 CO 0.00 0.08 -0.22 0.00 -3.07 0.00 0.00 178.15 174.94 3df2 h ALA 56 N 1.62 0.17 -1.13 0.18 0.00 -1.79 -2.89 119.26 115.43 3df2 h ALA 56 Ca 0.44 -0.38 0.32 0.00 0.00 0.00 0.00 54.91 55.29 3df2 h ALA 56 Cb 1.00 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 3df2 h ALA 56 CO -0.17 0.13 0.78 -0.91 0.00 0.00 0.00 179.25 179.08 3df2 h ASN 57 N -0.10 0.18 0.01 0.00 -0.26 -0.64 0.49 115.58 115.27 3df2 h ASN 57 Ca 0.00 0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3df2 h ASN 57 Cb 0.81 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3df2 h ASN 57 CO 0.05 0.02 -0.00 0.00 -1.06 0.00 0.00 177.43 176.44 3df2 h ALA 58 N 1.50 -0.01 -3.00 -0.83 0.00 -0.98 -3.33 119.26 112.61 3df2 h ALA 58 Ca 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3df2 h ALA 58 Cb 1.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3df2 h ALA 58 CO -0.14 -0.42 0.00 0.39 0.00 0.00 0.00 179.25 179.08 3df2 n GLU 59 N -5.01 0.00 -1.57 0.00 -0.58 0.17 -2.46 120.64 111.19 3df2 n GLU 59 Ca -0.08 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 3df2 n GLU 59 Cb 0.11 -0.06 -0.06 0.00 -0.57 0.00 0.00 31.44 30.86 3df2 n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3df2 s HIS 60 N 0.00 1.12 0.00 -0.32 2.46 -1.10 -4.08 115.29 113.37 3df2 s HIS 60 Ca 0.00 1.88 0.00 0.00 0.47 0.00 0.00 55.06 57.41 3df2 s HIS 60 Cb 0.00 -3.48 0.00 0.00 -0.13 0.00 0.00 32.58 28.97 3df2 s HIS 60 CO 0.00 -1.81 0.00 0.09 -2.47 0.00 0.00 174.74 170.55 3df2 n ASN 61 N 17.97 0.00 -4.15 9.88 5.03 -1.26 -4.70 115.26 138.04 3df2 n ASN 61 Ca 0.44 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.51 3df2 n ASN 61 Cb 0.46 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.12 3df2 n ASN 61 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 3df2 s ASP 62 N -4.00 5.44 0.00 6.41 -4.77 -1.24 -5.01 116.67 113.50 3df2 s ASP 62 Ca 0.00 -2.24 0.00 0.00 -3.30 0.00 0.00 52.55 47.01 3df2 s ASP 62 Cb 0.00 -1.90 0.00 0.00 -1.09 0.00 0.00 42.92 39.93 3df2 s ASP 62 CO 0.00 -0.54 0.00 0.61 0.70 0.00 0.00 175.17 175.94 3df2 n GLY 63 N 4.36 0.87 3.80 2.12 0.00 -1.03 -4.65 105.19 110.66 3df2 n GLY 63 Ca -0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 46.02 43.69 3df2 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 s ALA 64 N -1.04 -1.49 0.56 4.61 0.00 -1.24 -4.12 121.76 119.05 3df2 s ALA 64 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3df2 s ALA 64 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3df2 s ALA 64 CO 0.00 -1.04 0.00 -3.47 0.00 0.00 0.00 175.76 171.25 3df2 n ASP 65 N -0.63 -6.93 -0.03 0.00 2.03 -1.26 -4.89 116.55 104.85 3df2 n ASP 65 Ca -0.05 1.31 -0.05 0.00 0.52 0.00 0.00 54.79 56.52 3df2 n ASP 65 Cb 0.60 -4.40 -0.02 0.00 -0.72 0.00 0.00 41.12 36.59 3df2 n ASP 65 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3df2 n ILE 66 N -4.03 0.28 -0.23 5.18 -0.00 -1.26 -4.69 119.36 114.61 3df2 n ILE 66 Ca -0.08 -0.08 0.23 0.00 -0.00 0.00 0.00 62.75 62.82 3df2 n ILE 66 Cb 0.60 -1.32 0.59 0.00 -0.00 0.00 0.00 39.64 39.51 3df2 n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 3df2 h ASP 67 N -0.13 0.26 0.22 7.28 3.32 -2.02 0.45 116.42 125.80 3df2 h ASP 67 Ca -0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3df2 h ASP 67 Cb 1.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3df2 h ASP 67 CO -0.06 0.09 -0.00 -0.90 -1.72 0.00 0.00 179.24 176.65 3df2 n ASP 68 N -4.44 0.02 -4.97 6.45 5.75 -1.26 -4.85 116.55 113.26 3df2 n ASP 68 Ca 0.20 -0.68 -0.22 0.00 -0.01 0.00 0.00 54.79 54.09 3df2 n ASP 68 Cb 0.83 -0.11 0.02 0.00 -1.03 0.00 0.00 41.12 40.83 3df2 n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3df2 s LEU 69 N -2.22 3.52 -0.26 -2.12 1.02 0.16 -4.30 118.68 114.47 3df2 s LEU 69 Ca 0.40 0.11 -0.26 0.00 0.02 0.00 0.00 54.13 54.41 3df2 s LEU 69 Cb 0.21 -3.00 0.11 0.00 0.02 0.00 0.00 46.19 43.53 3df2 s LEU 69 CO 0.41 -0.86 0.93 -1.59 0.02 0.00 0.00 176.35 175.25 3df2 s LYS 70 N -4.61 0.62 -1.15 1.70 -2.85 0.18 -4.23 119.74 109.41 3df2 s LYS 70 Ca 0.52 0.67 -0.23 0.00 -1.00 0.00 0.00 55.97 55.94 3df2 s LYS 70 Cb -0.10 0.30 -0.07 0.00 -2.06 0.00 0.00 37.83 35.90 3df2 s LYS 70 CO 0.37 -0.09 1.92 0.54 0.10 0.00 0.00 175.35 178.20 3df2 s VAL 71 N 0.14 3.56 0.15 1.79 0.11 -0.18 -0.84 120.40 125.14 3df2 s VAL 71 Ca 0.02 -0.89 -0.21 0.00 -2.93 0.00 0.00 61.98 57.97 3df2 s VAL 71 Cb -0.05 -4.52 0.03 0.00 -1.53 0.00 0.00 36.38 30.31 3df2 s VAL 71 CO -0.03 -1.05 1.65 0.74 -3.33 0.00 0.00 175.10 173.08 3df2 h THR 72 N 6.32 0.52 -4.07 5.04 2.02 -1.56 0.22 112.91 121.39 3df2 h THR 72 Ca 0.21 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.24 3df2 h THR 72 Cb 0.95 0.52 -0.19 0.00 -1.74 0.00 0.00 68.15 67.69 3df2 h THR 72 CO 1.24 0.00 -0.68 -0.54 0.37 0.00 0.00 175.52 175.91 3df2 s LYS 73 N -6.14 0.44 -0.09 6.66 -0.14 -1.12 -4.55 119.74 114.80 3df2 s LYS 73 Ca -0.14 -0.85 -0.22 0.00 -1.36 0.00 0.00 55.97 53.39 3df2 s LYS 73 Cb 0.12 0.16 0.05 0.00 -1.68 0.00 0.00 37.83 36.48 3df2 s LYS 73 CO 0.69 -0.08 0.53 -1.50 -0.76 0.00 0.00 175.35 174.23 3df2 s ILE 74 N -2.47 0.02 -0.22 2.17 2.07 -1.26 -0.70 121.20 120.81 3df2 s ILE 74 Ca -0.07 -0.14 -0.30 0.00 -1.41 0.00 0.00 60.65 58.73 3df2 s ILE 74 Cb -0.03 -0.81 0.16 0.00 0.13 0.00 0.00 42.46 41.91 3df2 s ILE 74 CO -0.05 -0.08 1.20 0.72 -1.91 0.00 0.00 174.94 174.82 3df2 s PHE 75 N -0.78 -0.18 -0.02 3.50 -0.71 -0.74 -5.02 117.98 114.03 3df2 s PHE 75 Ca -0.08 0.27 0.07 0.00 -1.04 0.00 0.00 56.93 56.15 3df2 s PHE 75 Cb -0.03 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 3df2 s PHE 75 CO 0.05 -0.18 -0.23 0.14 -1.34 0.00 0.00 175.22 173.67 3df2 s VAL 76 N -1.32 1.81 0.15 -2.49 -7.23 -1.26 -0.78 120.40 109.28 3df2 s VAL 76 Ca 0.05 -0.97 0.10 0.00 -1.81 0.00 0.00 61.98 59.35 3df2 s VAL 76 Cb -0.01 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 3df2 s VAL 76 CO -0.04 0.51 -0.21 -1.81 -0.31 0.00 0.00 175.10 173.24 3df2 s ASP 77 N -0.47 3.64 -0.01 4.85 1.11 -1.10 -4.90 116.67 119.79 3df2 s ASP 77 Ca 0.07 -0.70 -0.34 0.00 0.18 0.00 0.00 52.55 51.76 3df2 s ASP 77 Cb -0.09 -0.39 -0.12 0.00 1.07 0.00 0.00 42.92 43.38 3df2 s ASP 77 CO -0.00 0.15 1.80 -0.62 1.18 0.00 0.00 175.17 177.68 3df2 n GLU 78 N 0.60 2.22 -3.77 8.23 1.02 -1.26 -0.73 120.64 126.95 3df2 n GLU 78 Ca -0.15 0.81 -0.22 0.00 -0.02 0.00 0.00 57.16 57.58 3df2 n GLU 78 Cb 0.54 -2.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.30 3df2 n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3df2 s GLY 79 N 3.16 1.27 -0.75 0.62 0.00 -1.22 -4.75 107.32 105.65 3df2 s GLY 79 Ca 0.88 -1.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.32 3df2 s GLY 79 CO 0.47 -1.10 1.97 -1.05 0.00 0.00 0.00 173.10 173.38 3df2 n PRO 80 N -1.50 0.18 -1.71 2.90 -0.02 -1.26 -3.85 135.00 129.75 3df2 n PRO 80 Ca -0.07 -0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 60.22 3df2 n PRO 80 Cb 0.57 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 3df2 n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3df2 n SER 81 N 13.42 2.91 -4.75 2.55 3.41 -1.26 -4.54 113.62 125.36 3df2 n SER 81 Ca 0.39 1.21 -0.39 0.00 -0.26 0.00 0.00 58.87 59.82 3df2 n SER 81 Cb 0.40 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.79 3df2 n SER 81 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3df2 s MET 82 N -1.84 4.35 0.63 4.33 -1.94 0.18 -4.85 119.30 120.15 3df2 s MET 82 Ca 0.56 0.75 -0.08 0.00 -1.71 0.00 0.00 55.69 55.21 3df2 s MET 82 Cb -0.56 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 32.92 3df2 s MET 82 CO 0.62 0.29 0.98 0.15 -0.01 0.00 0.00 175.02 177.05 3df2 s LYS 83 N 0.05 2.96 0.09 2.03 -0.14 -1.26 0.62 119.74 124.09 3df2 s LYS 83 Ca 0.32 0.22 -0.22 0.00 -1.36 0.00 0.00 55.97 54.93 3df2 s LYS 83 Cb -0.18 -2.17 0.08 0.00 -1.68 0.00 0.00 37.83 33.87 3df2 s LYS 83 CO 0.17 -0.80 1.03 -2.13 -0.76 0.00 0.00 175.35 172.87 3df2 n ARG 84 N -2.74 0.42 -4.39 1.68 3.00 -1.15 -4.82 116.66 108.67 3df2 n ARG 84 Ca 0.05 -1.10 -0.25 0.00 -0.00 0.00 0.00 57.85 56.55 3df2 n ARG 84 Cb 0.57 1.57 -0.13 0.00 0.00 0.00 0.00 32.46 34.47 3df2 n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3df2 s ILE 85 N -2.07 1.82 -0.25 5.15 1.09 -1.26 -4.41 121.20 121.27 3df2 s ILE 85 Ca 0.24 -1.52 -0.03 0.00 -1.10 0.00 0.00 60.65 58.24 3df2 s ILE 85 Cb -0.02 -1.63 0.09 0.00 -1.06 0.00 0.00 42.46 39.84 3df2 s ILE 85 CO 0.03 0.03 0.10 -0.32 -0.10 0.00 0.00 174.94 174.68 3df2 s MET 86 N -1.78 0.36 0.07 2.79 1.75 -0.88 -4.93 119.30 116.69 3df2 s MET 86 Ca 0.08 -0.54 -0.32 0.00 -1.25 0.00 0.00 55.69 53.66 3df2 s MET 86 Cb -0.10 -1.64 -0.11 0.00 2.84 0.00 0.00 34.83 35.82 3df2 s MET 86 CO 0.04 -0.88 1.82 -2.30 -0.65 0.00 0.00 175.02 173.05 3df2 n PRO 87 N 5.13 2.54 -3.42 4.11 -0.02 -1.26 -2.26 135.00 139.83 3df2 n PRO 87 Ca -0.06 0.93 -0.20 0.00 -2.02 0.00 0.00 63.50 62.15 3df2 n PRO 87 Cb 0.44 -2.79 -0.02 0.00 -0.02 0.00 0.00 33.50 31.11 3df2 n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3df2 n ARG 88 N 5.67 1.08 -2.07 -0.52 3.00 0.41 -4.97 116.66 119.25 3df2 n ARG 88 Ca 0.19 -2.36 -0.34 0.00 -0.01 0.00 0.00 57.85 55.33 3df2 n ARG 88 Cb 0.34 0.46 0.02 0.00 0.00 0.00 0.00 32.46 33.28 3df2 n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df2 s ALA 89 N -2.55 2.61 -1.46 7.54 0.00 -1.26 -3.33 121.76 123.31 3df2 s ALA 89 Ca 0.10 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 3df2 s ALA 89 Cb -0.01 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3df2 s ALA 89 CO 0.06 -0.96 0.85 1.63 0.00 0.00 0.00 175.76 177.34 3df2 n LYS 90 N -1.73 -5.62 -3.37 0.00 5.02 -1.26 -2.91 118.16 108.29 3df2 n LYS 90 Ca 0.11 0.72 -0.19 0.00 -2.02 0.00 0.00 58.31 56.93 3df2 n LYS 90 Cb 0.51 -5.62 0.06 0.00 -0.02 0.00 0.00 35.03 29.97 3df2 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df2 n GLY 91 N -1.64 -1.07 3.32 0.72 0.00 -1.23 -5.02 105.19 100.27 3df2 n GLY 91 Ca -0.02 0.53 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 3df2 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3df2 s ARG 92 N -4.84 1.78 0.20 1.61 0.52 -1.15 -4.96 118.95 112.11 3df2 s ARG 92 Ca 0.43 -1.04 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 3df2 s ARG 92 Cb -0.08 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 3df2 s ARG 92 CO 0.77 0.50 0.20 0.00 0.02 0.00 0.00 175.30 176.79 3df2 s ALA 93 N -0.76 3.66 -0.02 2.13 0.00 -1.26 0.15 121.76 125.66 3df2 s ALA 93 Ca 0.11 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3df2 s ALA 93 Cb -0.10 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.62 3df2 s ALA 93 CO 0.01 0.39 0.03 -0.51 0.00 0.00 0.00 175.76 175.69 3df2 s ASP 94 N -3.47 0.07 0.22 0.00 1.01 -0.96 -4.90 116.67 108.65 3df2 s ASP 94 Ca 0.32 0.04 -0.19 0.00 0.71 0.00 0.00 52.55 53.43 3df2 s ASP 94 Cb -0.09 -0.07 0.20 0.00 1.01 0.00 0.00 42.92 43.97 3df2 s ASP 94 CO 0.25 -0.12 1.55 -0.09 0.21 0.00 0.00 175.17 176.97 3df2 h ARG 95 N 7.21 -0.01 -6.04 8.23 9.65 -1.91 -2.33 114.38 129.17 3df2 h ARG 95 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3df2 h ARG 95 Cb 1.13 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 3df2 h ARG 95 CO 0.48 -0.01 -0.39 1.51 2.80 0.00 0.00 179.97 184.36 3df2 n ILE 96 N -5.44 -2.83 -3.80 1.20 3.06 -1.26 -3.34 119.36 106.94 3df2 n ILE 96 Ca 0.09 0.46 -0.36 0.00 -2.50 0.00 0.00 62.75 60.43 3df2 n ILE 96 Cb 0.38 -3.17 -0.11 0.00 0.54 0.00 0.00 39.64 37.28 3df2 n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3df2 s LEU 97 N -0.30 3.75 -1.01 9.51 1.02 -1.26 -2.91 118.68 127.47 3df2 s LEU 97 Ca -0.03 -0.04 -0.11 0.00 0.02 0.00 0.00 54.13 53.97 3df2 s LEU 97 Cb 0.00 -2.00 0.25 0.00 0.02 0.00 0.00 46.19 44.47 3df2 s LEU 97 CO 0.11 0.04 1.00 -0.54 0.02 0.00 0.00 176.35 176.98 3df2 s LYS 98 N 1.18 3.98 0.79 1.70 1.02 0.20 -4.89 119.74 123.73 3df2 s LYS 98 Ca 0.05 -2.91 -0.11 0.00 0.02 0.00 0.00 55.97 53.03 3df2 s LYS 98 Cb -0.14 -4.53 0.07 0.00 -0.52 0.00 0.00 37.83 32.70 3df2 s LYS 98 CO 0.04 -1.28 1.09 -0.98 -0.92 0.00 0.00 175.35 173.29 3df2 s ARG 99 N -0.60 2.10 0.00 1.68 1.70 -1.26 0.47 118.95 123.03 3df2 s ARG 99 Ca 0.27 0.87 0.00 0.00 -0.47 0.00 0.00 55.73 56.40 3df2 s ARG 99 Cb -0.10 -1.90 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 3df2 s ARG 99 CO -0.08 -1.67 0.00 0.25 -1.08 0.00 0.00 175.30 172.72 3df2 n THR 100 N -3.50 0.00 -3.64 4.99 -2.24 -1.25 -4.19 114.28 104.45 3df2 n THR 100 Ca 0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 3df2 n THR 100 Cb 0.55 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 3df2 n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3df2 s SER 101 N 1.00 -0.05 -0.78 3.42 1.04 -1.25 -3.21 113.70 113.87 3df2 s SER 101 Ca 0.00 0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.43 3df2 s SER 101 Cb 0.00 0.05 0.20 0.00 0.10 0.00 0.00 66.02 66.37 3df2 s SER 101 CO 0.00 -0.05 0.65 -1.00 0.98 0.00 0.00 173.24 173.82 3df2 s HIS 102 N -0.97 3.67 -0.10 5.02 3.76 0.09 0.34 115.29 127.10 3df2 s HIS 102 Ca 0.08 -2.60 -0.29 0.00 -0.15 0.00 0.00 55.06 52.10 3df2 s HIS 102 Cb -0.01 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 3df2 s HIS 102 CO -0.08 -0.86 1.53 0.42 -0.85 0.00 0.00 174.74 174.90 3df2 s ILE 103 N -0.39 3.81 -0.11 0.60 1.01 -0.66 -2.72 121.20 122.74 3df2 s ILE 103 Ca 0.21 0.97 0.03 0.00 0.00 0.00 0.00 60.65 61.86 3df2 s ILE 103 Cb -0.14 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 3df2 s ILE 103 CO -0.07 -0.11 -0.23 -0.89 0.00 0.00 0.00 174.94 173.65 3df2 s THR 104 N 3.98 2.16 -0.02 2.92 2.01 0.04 -0.28 115.64 126.46 3df2 s THR 104 Ca 0.68 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.77 3df2 s THR 104 Cb -0.29 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 3df2 s THR 104 CO 0.25 0.56 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.80 3df2 s VAL 105 N 0.38 1.92 -0.29 3.82 1.01 -0.74 -1.80 120.40 124.71 3df2 s VAL 105 Ca -0.17 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.77 3df2 s VAL 105 Cb -0.18 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.70 3df2 s VAL 105 CO 0.08 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.09 3df2 s VAL 106 N -0.56 1.13 -0.24 2.92 1.01 0.12 -2.35 120.40 122.43 3df2 s VAL 106 Ca 0.09 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 3df2 s VAL 106 Cb -0.09 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 3df2 s VAL 106 CO -0.01 -0.52 0.21 0.54 0.00 0.00 0.00 175.10 175.33 3df2 s VAL 107 N 1.51 5.32 0.17 2.92 0.11 -1.24 -1.55 120.40 127.63 3df2 s VAL 107 Ca 0.06 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 3df2 s VAL 107 Cb -0.18 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 3df2 s VAL 107 CO -0.18 0.31 0.05 -0.55 -3.33 0.00 0.00 175.10 171.40 3df2 s SER 108 N 1.18 0.73 0.00 3.54 0.15 -0.02 -4.24 113.70 115.04 3df2 s SER 108 Ca 0.10 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.51 3df2 s SER 108 Cb -0.14 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3df2 s SER 108 CO 0.06 -0.68 0.38 0.47 1.20 0.00 0.00 173.24 174.67 3df2 n ASP 109 N -0.22 0.00 0.00 5.45 9.92 -1.24 0.50 116.55 130.97 3df2 n ASP 109 Ca -0.04 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 3df2 n ASP 109 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 3df2 n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19