#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yr5 s LEU 4 N 0.00 4.45 0.48 1.08 2.96 -1.26 -5.04 118.68 121.35 1yr5 s LEU 4 Ca 0.00 2.46 -0.07 0.00 -0.22 0.00 0.00 54.13 56.29 1yr5 s LEU 4 Cb 0.00 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1yr5 s LEU 4 CO 0.00 -0.45 0.81 0.42 -1.32 0.00 0.00 176.35 175.81 1yr5 s THR 5 N -0.52 4.86 0.38 3.68 -4.23 -1.26 -4.98 115.64 113.56 1yr5 s THR 5 Ca 0.52 0.38 0.22 0.00 -1.18 0.00 0.00 61.69 61.62 1yr5 s THR 5 Cb -0.36 -3.83 0.22 0.00 1.34 0.00 0.00 72.50 69.86 1yr5 s THR 5 CO 0.43 -0.80 1.97 -0.33 -0.54 0.00 0.00 174.62 175.35 1yr5 h GLU 6 N 0.42 0.00 -0.51 3.99 5.08 -1.99 -2.65 114.58 118.92 1yr5 h GLU 6 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1yr5 h GLU 6 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1yr5 h GLU 6 CO 0.62 0.20 -0.17 1.49 -1.00 0.00 0.00 179.01 180.15 1yr5 h GLU 7 N 0.00 1.02 -0.40 2.33 4.57 -1.99 0.14 114.58 120.26 1yr5 h GLU 7 Ca -0.00 -0.41 0.03 0.00 -1.18 0.00 0.00 59.36 57.79 1yr5 h GLU 7 Cb 0.46 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1yr5 h GLU 7 CO 0.03 1.10 0.21 1.96 -1.18 0.00 0.00 179.01 181.12 1yr5 h GLN 8 N 0.89 0.41 -0.44 1.92 4.20 -1.91 0.95 115.11 121.12 1yr5 h GLN 8 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1yr5 h GLN 8 Cb 0.75 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1yr5 h GLN 8 CO 0.06 0.27 0.25 0.82 -0.67 0.00 0.00 178.83 179.56 1yr5 h ILE 9 N 0.42 1.15 -0.85 2.54 2.04 -1.25 -0.67 117.51 120.89 1yr5 h ILE 9 Ca 0.17 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1yr5 h ILE 9 Cb 0.06 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1yr5 h ILE 9 CO -0.11 0.16 0.55 0.00 0.00 0.00 0.00 178.15 178.75 1yr5 h ALA 10 N 1.11 1.12 -0.71 1.87 0.00 -0.26 -0.66 119.26 121.73 1yr5 h ALA 10 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1yr5 h ALA 10 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1yr5 h ALA 10 CO -0.03 0.38 0.31 0.93 0.00 0.00 0.00 179.25 180.84 1yr5 h GLU 11 N 1.06 1.04 -0.55 0.00 5.08 -0.21 -0.42 114.58 120.57 1yr5 h GLU 11 Ca 0.34 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1yr5 h GLU 11 Cb 0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1yr5 h GLU 11 CO -0.12 0.83 0.21 0.74 -1.00 0.00 0.00 179.01 179.68 1yr5 h PHE 12 N 1.00 0.84 -0.41 4.33 0.04 -0.66 -1.82 116.94 120.26 1yr5 h PHE 12 Ca 0.24 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.95 1yr5 h PHE 12 Cb 0.16 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1yr5 h PHE 12 CO 0.01 0.69 0.26 -0.22 -0.60 0.00 0.00 178.31 178.45 1yr5 h LYS 13 N 0.75 0.51 -0.52 1.51 3.64 -0.85 0.14 116.57 121.74 1yr5 h LYS 13 Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1yr5 h LYS 13 Cb 0.21 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1yr5 h LYS 13 CO -0.01 0.34 0.28 0.93 -2.27 0.00 0.00 179.45 178.71 1yr5 h GLU 14 N 0.52 0.73 -0.41 1.90 5.08 -0.82 0.87 114.58 122.45 1yr5 h GLU 14 Ca 0.16 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1yr5 h GLU 14 Cb -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1yr5 h GLU 14 CO -0.05 0.57 0.20 0.00 -1.00 0.00 0.00 179.01 178.73 1yr5 h ALA 15 N 1.12 0.53 -0.39 3.43 0.00 -1.11 -1.36 119.26 121.48 1yr5 h ALA 15 Ca 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yr5 h ALA 15 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1yr5 h ALA 15 CO -0.03 0.09 0.23 0.35 0.00 0.00 0.00 179.25 179.89 1yr5 h PHE 16 N 0.53 0.52 0.00 0.00 3.04 -0.19 -2.75 116.94 118.09 1yr5 h PHE 16 Ca 0.14 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.03 1yr5 h PHE 16 Cb 0.12 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1yr5 h PHE 16 CO -0.01 0.38 -0.26 0.77 -2.02 0.00 0.00 178.31 177.17 1yr5 h SER 17 N 0.51 0.00 -0.87 0.41 0.02 -0.57 -0.04 113.55 113.02 1yr5 h SER 17 Ca 0.14 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1yr5 h SER 17 Cb 0.02 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 1yr5 h SER 17 CO -0.03 0.26 0.54 0.25 -1.14 0.00 0.00 176.83 176.71 1yr5 h LEU 18 N 0.00 0.83 0.01 5.07 5.85 -0.94 -3.04 115.31 123.10 1yr5 h LEU 18 Ca -0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1yr5 h LEU 18 Cb 0.47 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1yr5 h LEU 18 CO 0.03 0.53 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.30 1yr5 h PHE 19 N 0.97 0.09 0.00 1.25 0.04 -1.46 -3.39 116.94 114.43 1yr5 h PHE 19 Ca 0.38 -0.05 -0.69 0.00 2.80 0.00 0.00 57.97 60.41 1yr5 h PHE 19 Cb 0.20 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1yr5 h PHE 19 CO -0.03 0.89 3.06 -3.47 -0.60 0.00 0.00 178.31 178.16 1yr5 n ASP 20 N -4.61 4.11 0.27 2.17 4.64 -0.07 -4.68 116.55 118.37 1yr5 n ASP 20 Ca -0.10 -2.78 0.13 0.00 -1.38 0.00 0.00 54.79 50.66 1yr5 n ASP 20 Cb 0.45 -1.55 0.75 0.00 -1.04 0.00 0.00 41.12 39.73 1yr5 n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1yr5 h LYS 21 N 6.22 0.00 -0.11 -0.67 1.79 -1.77 -1.78 116.57 120.25 1yr5 h LYS 21 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 1yr5 h LYS 21 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1yr5 h LYS 21 CO 1.88 0.10 0.00 -0.40 -1.08 0.00 0.00 179.45 179.95 1yr5 n ASP 22 N -3.74 2.65 -1.57 0.86 3.85 -1.26 -4.96 116.55 112.38 1yr5 n ASP 22 Ca -0.02 -1.87 -0.17 0.00 -0.71 0.00 0.00 54.79 52.02 1yr5 n ASP 22 Cb 0.21 -0.06 -0.05 0.00 -1.35 0.00 0.00 41.12 39.87 1yr5 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yr5 n GLY 23 N 1.33 0.83 0.24 6.12 0.00 -0.67 -4.89 105.19 108.15 1yr5 n GLY 23 Ca 0.16 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1yr5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yr5 n ASP 24 N -0.96 0.78 0.00 1.61 5.75 -1.26 -4.92 116.55 117.56 1yr5 n ASP 24 Ca -0.18 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1yr5 n ASP 24 Cb 0.60 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1yr5 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yr5 n GLY 25 N 1.13 0.74 3.06 6.12 0.00 -1.26 -5.05 105.19 109.93 1yr5 n GLY 25 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1yr5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yr5 s THR 26 N -2.78 0.70 -0.26 2.61 -4.23 -1.26 -4.27 115.64 106.15 1yr5 s THR 26 Ca 0.00 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.59 1yr5 s THR 26 Cb 0.00 -0.67 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 1yr5 s THR 26 CO 0.00 -0.10 0.19 -0.63 -0.54 0.00 0.00 174.62 173.54 1yr5 s ILE 27 N -0.84 5.32 0.46 2.99 1.01 0.16 -4.78 121.20 125.52 1yr5 s ILE 27 Ca -0.03 0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1yr5 s ILE 27 Cb -0.07 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.88 1yr5 s ILE 27 CO 0.01 0.28 0.65 0.42 0.00 0.00 0.00 174.94 176.30 1yr5 s THR 28 N 1.49 3.26 0.20 2.92 -4.23 -1.26 -1.30 115.64 116.72 1yr5 s THR 28 Ca 0.08 -0.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 1yr5 s THR 28 Cb -0.15 -3.17 0.13 0.00 1.34 0.00 0.00 72.50 70.65 1yr5 s THR 28 CO 0.08 -0.09 1.74 0.71 -0.54 0.00 0.00 174.62 176.52 1yr5 h THR 29 N 0.42 0.78 -0.51 3.99 1.35 -1.92 0.07 112.91 117.10 1yr5 h THR 29 Ca -0.43 -0.13 0.10 0.00 -0.55 0.00 0.00 66.41 65.40 1yr5 h THR 29 Cb 1.28 0.36 -0.08 0.00 -1.73 0.00 0.00 68.15 67.98 1yr5 h THR 29 CO 0.51 0.07 0.02 0.50 -0.25 0.00 0.00 175.52 176.37 1yr5 h LYS 30 N 0.39 0.13 -0.30 4.72 3.64 -1.97 0.12 116.57 123.29 1yr5 h LYS 30 Ca 0.29 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.48 1yr5 h LYS 30 Cb 0.34 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1yr5 h LYS 30 CO -0.29 0.09 -0.52 0.93 -2.27 0.00 0.00 179.45 177.38 1yr5 h GLU 31 N 0.13 0.86 -0.23 1.90 5.08 -1.63 -1.06 114.58 119.64 1yr5 h GLU 31 Ca 0.26 -0.53 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1yr5 h GLU 31 Cb 0.39 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1yr5 h GLU 31 CO -0.41 1.17 0.09 1.25 -1.00 0.00 0.00 179.01 180.10 1yr5 h LEU 32 N 0.67 0.12 -0.56 1.33 5.85 -0.93 -2.55 115.31 119.24 1yr5 h LEU 32 Ca 0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1yr5 h LEU 32 Cb 1.12 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1yr5 h LEU 32 CO 0.12 0.10 0.25 1.23 -0.34 0.00 0.00 178.44 179.79 1yr5 h GLY 33 N 0.20 0.79 0.82 3.75 0.00 -0.74 -2.07 103.07 105.82 1yr5 h GLY 33 Ca 0.10 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1yr5 h GLY 33 CO -0.09 0.06 0.39 -0.84 0.00 0.00 0.00 176.54 176.06 1yr5 h THR 34 N 0.47 1.05 -0.28 4.70 2.02 -0.90 0.07 112.91 120.05 1yr5 h THR 34 Ca 0.26 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1yr5 h THR 34 Cb 0.24 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1yr5 h THR 34 CO -0.22 0.14 0.04 0.58 0.37 0.00 0.00 175.52 176.42 1yr5 h VAL 35 N 0.76 1.24 -0.74 3.16 2.07 -1.09 -1.23 116.25 120.42 1yr5 h VAL 35 Ca 0.27 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1yr5 h VAL 35 Cb 0.06 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1yr5 h VAL 35 CO -0.12 0.26 0.46 0.24 0.02 0.00 0.00 177.57 178.42 1yr5 h MET 36 N 0.28 0.84 -0.11 1.57 2.86 -1.02 -2.33 114.93 117.02 1yr5 h MET 36 Ca 0.08 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 1yr5 h MET 36 Cb 0.35 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1yr5 h MET 36 CO 0.01 0.56 -0.52 -0.09 1.06 0.00 0.00 176.91 177.92 1yr5 h ARG 37 N 0.87 0.31 0.00 1.72 2.43 -0.79 -0.75 114.38 118.17 1yr5 h ARG 37 Ca 0.31 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1yr5 h ARG 37 Cb 0.07 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1yr5 h ARG 37 CO -0.13 0.75 -0.10 0.66 -1.51 0.00 0.00 179.97 179.64 1yr5 h SER 38 N 0.24 0.00 -0.50 -3.80 4.64 -0.70 -2.13 113.55 111.30 1yr5 h SER 38 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1yr5 h SER 38 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1yr5 h SER 38 CO 0.08 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 1yr5 n LEU 39 N -3.82 4.50 0.00 5.97 4.77 -0.40 -4.94 117.00 123.08 1yr5 n LEU 39 Ca -0.02 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1yr5 n LEU 39 Cb 0.20 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1yr5 n LEU 39 CO 0.31 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1yr5 n GLY 40 N 0.71 1.15 3.90 -0.72 0.00 -0.80 -5.04 105.19 104.38 1yr5 n GLY 40 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1yr5 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yr5 s GLN 41 N -0.38 3.63 -0.44 1.61 -0.21 -0.53 -4.96 119.66 118.37 1yr5 s GLN 41 Ca 0.00 0.16 0.07 0.00 0.02 0.00 0.00 55.36 55.61 1yr5 s GLN 41 Cb 0.00 -2.49 0.24 0.00 1.00 0.00 0.00 33.01 31.76 1yr5 s GLN 41 CO 0.00 0.00 0.55 -1.71 -2.12 0.00 0.00 175.29 172.01 1yr5 n ASN 42 N -1.55 0.83 -4.75 5.90 5.15 -1.26 -3.66 115.26 115.92 1yr5 n ASN 42 Ca -0.00 -2.81 -0.35 0.00 -0.60 0.00 0.00 54.58 50.82 1yr5 n ASN 42 Cb 0.55 -0.64 0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1yr5 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1yr5 s PRO 43 N -1.31 2.78 0.73 1.20 0.04 -1.26 -5.02 135.00 132.15 1yr5 s PRO 43 Ca 0.36 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1yr5 s PRO 43 Cb 0.15 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.80 1yr5 s PRO 43 CO -0.10 -1.32 1.11 0.95 0.04 0.00 0.00 177.00 177.68 1yr5 s THR 44 N -1.90 3.02 0.21 1.26 -4.23 -1.26 -4.87 115.64 107.88 1yr5 s THR 44 Ca 0.73 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 61.47 1yr5 s THR 44 Cb -0.27 -3.32 0.15 0.00 1.34 0.00 0.00 72.50 70.40 1yr5 s THR 44 CO 0.37 -0.42 1.77 -0.08 -0.54 0.00 0.00 174.62 175.72 1yr5 h GLU 45 N -0.76 1.19 -0.37 3.99 4.57 -1.97 -0.42 114.58 120.80 1yr5 h GLU 45 Ca -0.45 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.48 1yr5 h GLU 45 Cb 1.28 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1yr5 h GLU 45 CO 0.64 0.98 0.19 0.00 -1.18 0.00 0.00 179.01 179.64 1yr5 h ALA 46 N 1.16 0.47 -0.07 2.92 0.00 -1.99 0.32 119.26 122.07 1yr5 h ALA 46 Ca 0.26 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1yr5 h ALA 46 Cb 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1yr5 h ALA 46 CO -0.02 0.02 -0.16 0.93 0.00 0.00 0.00 179.25 180.03 1yr5 h GLU 47 N 0.46 -0.22 -0.84 0.00 5.08 -1.88 0.12 114.58 117.31 1yr5 h GLU 47 Ca 0.13 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1yr5 h GLU 47 Cb 0.10 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 1yr5 h GLU 47 CO -0.02 -0.14 0.46 -0.07 -1.00 0.00 0.00 179.01 178.24 1yr5 h LEU 48 N -0.22 0.63 -0.85 1.33 3.38 -0.92 -0.72 115.31 117.93 1yr5 h LEU 48 Ca 0.07 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1yr5 h LEU 48 Cb 0.33 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1yr5 h LEU 48 CO -0.20 0.32 0.43 -0.61 0.09 0.00 0.00 178.44 178.47 1yr5 h GLN 49 N 0.73 1.21 -0.71 1.13 5.75 -0.38 -1.35 115.11 121.49 1yr5 h GLN 49 Ca 0.43 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 1yr5 h GLN 49 Cb 0.48 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 1yr5 h GLN 49 CO -0.29 0.92 0.47 -0.44 -2.65 0.00 0.00 178.83 176.84 1yr5 h ASP 50 N 1.20 0.77 -0.39 -0.69 3.45 0.04 0.81 116.42 121.62 1yr5 h ASP 50 Ca 0.29 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.64 1yr5 h ASP 50 Cb 0.09 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1yr5 h ASP 50 CO -0.04 0.54 -0.14 0.24 -1.57 0.00 0.00 179.24 178.27 1yr5 h MET 51 N 0.90 0.78 -0.33 3.56 2.86 -0.11 -2.98 114.93 119.61 1yr5 h MET 51 Ca 0.28 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1yr5 h MET 51 Cb -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1yr5 h MET 51 CO -0.07 0.94 0.12 0.82 1.06 0.00 0.00 176.91 179.77 1yr5 h ILE 52 N 0.58 1.20 -0.99 -1.22 2.04 -0.80 -3.02 117.51 115.29 1yr5 h ILE 52 Ca 0.09 -0.62 0.22 0.00 1.00 0.00 0.00 64.86 65.56 1yr5 h ILE 52 Cb 0.68 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 1yr5 h ILE 52 CO 0.05 0.21 0.63 0.78 0.00 0.00 0.00 178.15 179.82 1yr5 h ASN 53 N 0.37 0.58 0.19 1.72 2.35 -0.75 -0.67 115.58 119.37 1yr5 h ASN 53 Ca 0.11 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1yr5 h ASN 53 Cb 0.22 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1yr5 h ASN 53 CO -0.01 0.18 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.54 1yr5 h GLU 54 N 0.55 0.00 0.00 0.81 5.08 -1.38 -2.80 114.58 116.84 1yr5 h GLU 54 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1yr5 h GLU 54 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1yr5 h GLU 54 CO -0.31 0.08 0.00 1.33 -1.00 0.00 0.00 179.01 179.11 1yr5 n VAL 55 N -3.87 0.47 -1.82 3.13 0.24 -0.39 -4.91 118.33 111.17 1yr5 n VAL 55 Ca -0.02 -0.64 -0.42 0.00 -2.04 0.00 0.00 64.34 61.22 1yr5 n VAL 55 Cb 0.18 0.85 -0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1yr5 n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1yr5 n ASP 56 N -0.23 4.94 0.00 -1.34 2.03 -0.41 -4.73 116.55 116.80 1yr5 n ASP 56 Ca 0.00 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.43 1yr5 n ASP 56 Cb 0.19 -1.59 0.31 0.00 -0.72 0.00 0.00 41.12 39.31 1yr5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yr5 h ALA 57 N 5.75 1.40 -0.25 -1.67 0.00 -1.89 -1.82 119.26 120.79 1yr5 h ALA 57 Ca 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1yr5 h ALA 57 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1yr5 h ALA 57 CO 1.80 0.42 0.00 -0.40 0.00 0.00 0.00 179.25 181.07 1yr5 n ASP 58 N -4.30 1.72 0.00 0.00 5.68 -1.26 -4.94 116.55 113.45 1yr5 n ASP 58 Ca 0.02 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1yr5 n ASP 58 Cb 0.23 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1yr5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yr5 n GLY 59 N 1.09 0.26 0.00 6.12 0.00 -0.69 -4.88 105.19 107.09 1yr5 n GLY 59 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1yr5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yr5 n ASN 60 N -0.41 0.00 0.00 1.61 6.94 -1.26 -4.91 115.26 117.22 1yr5 n ASN 60 Ca 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 54.58 53.82 1yr5 n ASN 60 Cb 0.21 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1yr5 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yr5 n GLY 61 N 0.96 1.11 3.31 4.83 0.00 -1.26 -5.02 105.19 109.11 1yr5 n GLY 61 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1yr5 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yr5 s THR 62 N -3.11 0.68 -0.24 2.61 -4.23 -1.26 -4.83 115.64 105.25 1yr5 s THR 62 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1yr5 s THR 62 Cb 0.00 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 1yr5 s THR 62 CO 0.00 -0.15 0.11 -0.63 -0.54 0.00 0.00 174.62 173.41 1yr5 s ILE 63 N -3.67 4.81 0.46 2.99 1.01 -0.42 -4.89 121.20 121.49 1yr5 s ILE 63 Ca 0.34 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.05 1yr5 s ILE 63 Cb 0.07 -3.24 0.07 0.00 0.01 0.00 0.00 42.46 39.38 1yr5 s ILE 63 CO 0.11 0.35 0.58 -0.90 0.00 0.00 0.00 174.94 175.08 1yr5 n ASP 64 N 4.49 1.86 0.32 3.58 5.68 -1.26 0.36 116.55 131.58 1yr5 n ASP 64 Ca -0.16 -2.31 -0.18 0.00 -0.50 0.00 0.00 54.79 51.65 1yr5 n ASP 64 Cb 0.52 -0.28 -0.10 0.00 -1.14 0.00 0.00 41.12 40.12 1yr5 n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1yr5 h PHE 65 N 0.20 -1.37 -0.85 2.11 3.04 -2.00 0.79 116.94 118.86 1yr5 h PHE 65 Ca -0.23 0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.83 1yr5 h PHE 65 Cb 1.01 0.53 -0.06 0.00 2.56 0.00 0.00 35.95 39.99 1yr5 h PHE 65 CO 0.00 -0.68 0.55 -1.00 -2.02 0.00 0.00 178.31 175.16 1yr5 h PRO 66 N -1.04 0.75 -0.53 6.41 0.13 -1.97 -0.68 132.00 135.06 1yr5 h PRO 66 Ca -0.07 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 1yr5 h PRO 66 Cb 0.89 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1yr5 h PRO 66 CO -0.03 0.50 0.16 0.93 -0.23 0.00 0.00 178.00 179.33 1yr5 h GLU 67 N 0.77 0.80 -0.47 0.86 5.08 -1.76 -2.30 114.58 117.56 1yr5 h GLU 67 Ca 0.40 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1yr5 h GLU 67 Cb 0.50 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1yr5 h GLU 67 CO -0.17 0.70 0.06 0.35 -1.00 0.00 0.00 179.01 178.95 1yr5 h PHE 68 N 0.78 0.85 -0.83 4.33 3.57 0.09 -0.68 116.94 125.06 1yr5 h PHE 68 Ca 0.18 -0.13 0.12 0.00 3.53 0.00 0.00 57.97 61.67 1yr5 h PHE 68 Cb 0.24 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 1yr5 h PHE 68 CO 0.01 0.80 0.44 -0.07 -2.23 0.00 0.00 178.31 177.26 1yr5 h LEU 69 N 0.66 0.57 -0.55 0.59 3.38 -0.93 -1.57 115.31 117.46 1yr5 h LEU 69 Ca 0.14 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1yr5 h LEU 69 Cb 0.42 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1yr5 h LEU 69 CO 0.01 0.28 0.32 0.74 0.09 0.00 0.00 178.44 179.88 1yr5 h THR 70 N 0.68 1.17 -0.51 0.22 2.02 -1.00 -0.36 112.91 115.12 1yr5 h THR 70 Ca 0.43 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 67.28 1yr5 h THR 70 Cb 0.52 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 1yr5 h THR 70 CO -0.31 0.18 0.18 -0.03 0.37 0.00 0.00 175.52 175.90 1yr5 h MET 71 N 0.74 0.34 -0.34 6.66 1.85 -0.66 0.05 114.93 123.57 1yr5 h MET 71 Ca 0.20 -0.02 -0.16 0.00 -0.61 0.00 0.00 59.70 59.10 1yr5 h MET 71 Cb 0.01 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 1yr5 h MET 71 CO -0.03 0.22 -0.43 0.52 -0.40 0.00 0.00 176.91 176.79 1yr5 h MET 72 N 0.35 0.87 -0.68 0.39 2.07 -1.01 0.43 114.93 117.35 1yr5 h MET 72 Ca 0.25 -0.48 0.08 0.00 -2.07 0.00 0.00 59.70 57.48 1yr5 h MET 72 Cb 0.28 0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 29.97 1yr5 h MET 72 CO -0.26 1.12 0.34 0.00 1.07 0.00 0.00 176.91 179.19 1yr5 h ALA 73 N 0.80 0.92 0.16 6.32 0.00 -0.28 0.58 119.26 127.77 1yr5 h ALA 73 Ca 0.05 0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 1yr5 h ALA 73 Cb 1.02 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1yr5 h ALA 73 CO 0.10 -0.03 -1.36 0.00 0.00 0.00 0.00 179.25 177.96 1yr5 h ARG 74 N 0.61 0.35 -0.00 0.00 3.08 -0.79 -3.36 114.38 114.25 1yr5 h ARG 74 Ca 0.33 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1yr5 h ARG 74 Cb 0.30 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1yr5 h ARG 74 CO -0.24 1.27 -0.44 1.63 -1.07 0.00 0.00 179.97 181.12 1yr5 n LYS 75 N -3.58 2.74 -2.11 0.04 4.76 0.15 -3.89 118.16 116.28 1yr5 n LYS 75 Ca -0.12 -0.24 -0.36 0.00 -2.87 0.00 0.00 58.31 54.72 1yr5 n LYS 75 Cb 1.05 -1.08 0.03 0.00 -1.84 0.00 0.00 35.03 33.19 1yr5 n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1yr5 n MET 76 N -0.90 3.02 -2.61 1.97 2.81 0.20 -4.98 117.12 116.63 1yr5 n MET 76 Ca 0.03 -3.84 -0.41 0.00 -1.81 0.00 0.00 57.70 51.66 1yr5 n MET 76 Cb 0.21 -2.27 -0.03 0.00 -0.71 0.00 0.00 33.22 30.42 1yr5 n MET 76 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1yr5 s LYS 77 N -3.93 3.36 7.06 0.03 -0.14 -1.25 -4.81 119.74 120.06 1yr5 s LYS 77 Ca 0.50 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 1yr5 s LYS 77 Cb 0.42 -4.68 0.00 0.00 -1.68 0.00 0.00 37.83 31.89 1yr5 s LYS 77 CO -0.34 -2.11 0.00 -0.25 -0.76 0.00 0.00 175.35 171.88 1yr5 n ASP 78 N 8.82 0.00 -4.23 2.83 9.92 -1.26 -4.90 116.55 127.73 1yr5 n ASP 78 Ca 0.15 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.10 1yr5 n ASP 78 Cb 0.49 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.81 1yr5 n ASP 78 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1yr5 s THR 79 N 0.00 1.96 -0.29 -3.53 2.01 -1.26 -5.08 115.64 109.45 1yr5 s THR 79 Ca 0.00 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.75 1yr5 s THR 79 Cb 0.00 -1.68 -0.11 0.00 0.01 0.00 0.00 72.50 70.72 1yr5 s THR 79 CO 0.00 0.54 1.25 0.47 -0.69 0.00 0.00 174.62 176.19 1yr5 n ASP 80 N 3.24 0.44 0.00 3.53 9.92 -1.26 -4.96 116.55 127.47 1yr5 n ASP 80 Ca -0.18 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1yr5 n ASP 80 Cb 0.52 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1yr5 n ASP 80 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1yr5 n SER 81 N 4.36 0.00 0.23 -2.24 3.41 -1.26 -4.83 113.62 113.30 1yr5 n SER 81 Ca 0.32 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1yr5 n SER 81 Cb -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1yr5 n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1yr5 n GLU 82 N -0.30 0.00 0.23 4.33 4.07 -1.26 -4.81 120.64 122.90 1yr5 n GLU 82 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 1yr5 n GLU 82 Cb 0.00 0.00 0.54 0.00 -0.06 0.00 0.00 31.44 31.92 1yr5 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1yr5 h GLU 83 N 0.00 0.00 0.14 5.31 3.07 -1.97 0.18 114.58 121.31 1yr5 h GLU 83 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 1yr5 h GLU 83 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1yr5 h GLU 83 CO 0.00 0.18 -1.26 1.05 -1.40 0.00 0.00 179.01 177.58 1yr5 h GLU 84 N 0.00 0.34 -0.47 2.33 4.11 -1.95 0.21 114.58 119.15 1yr5 h GLU 84 Ca -0.00 -0.55 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1yr5 h GLU 84 Cb 0.34 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1yr5 h GLU 84 CO 0.02 1.25 0.30 0.82 0.07 0.00 0.00 179.01 181.48 1yr5 h ILE 85 N 0.11 1.13 -0.37 -1.06 2.04 -1.77 -0.47 117.51 117.11 1yr5 h ILE 85 Ca -0.15 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 1yr5 h ILE 85 Cb 1.97 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1yr5 h ILE 85 CO 0.21 0.13 -0.11 -0.09 0.00 0.00 0.00 178.15 178.29 1yr5 h ARG 86 N 0.63 0.65 -0.61 2.37 9.65 -0.66 -0.91 114.38 125.50 1yr5 h ARG 86 Ca 0.17 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1yr5 h ARG 86 Cb -0.05 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1yr5 h ARG 86 CO -0.04 0.74 0.29 0.93 2.80 0.00 0.00 179.97 184.70 1yr5 h GLU 87 N 0.60 0.88 -0.56 0.20 5.08 -0.25 -2.60 114.58 117.94 1yr5 h GLU 87 Ca 0.11 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1yr5 h GLU 87 Cb 0.53 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1yr5 h GLU 87 CO 0.03 0.71 0.14 0.00 -1.00 0.00 0.00 179.01 178.89 1yr5 h ALA 88 N 1.12 0.74 -0.37 3.43 0.00 -0.56 -2.70 119.26 120.92 1yr5 h ALA 88 Ca 0.21 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1yr5 h ALA 88 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1yr5 h ALA 88 CO -0.03 0.44 0.05 0.35 0.00 0.00 0.00 179.25 180.06 1yr5 h PHE 89 N 0.79 0.07 -0.68 0.00 3.57 -1.09 -1.36 116.94 118.23 1yr5 h PHE 89 Ca 0.18 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.80 1yr5 h PHE 89 Cb 0.34 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1yr5 h PHE 89 CO 0.02 -0.02 0.45 -0.09 -2.23 0.00 0.00 178.31 176.45 1yr5 h ARG 90 N 0.16 0.50 -0.59 1.11 2.43 -1.26 0.27 114.38 117.00 1yr5 h ARG 90 Ca 0.18 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1yr5 h ARG 90 Cb 0.22 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1yr5 h ARG 90 CO -0.26 0.33 0.36 0.28 -1.51 0.00 0.00 179.97 179.17 1yr5 h VAL 91 N 0.51 1.17 0.18 0.20 2.07 -0.93 -3.29 116.25 116.16 1yr5 h VAL 91 Ca 0.32 -0.37 -0.26 0.00 0.82 0.00 0.00 66.70 67.21 1yr5 h VAL 91 Cb 0.55 0.36 0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1yr5 h VAL 91 CO -0.10 0.17 -1.19 -0.26 0.02 0.00 0.00 177.57 176.21 1yr5 h PHE 92 N 0.79 0.68 -0.20 1.57 -1.00 -0.89 -3.38 116.94 114.51 1yr5 h PHE 92 Ca 0.21 -0.49 -0.60 0.00 2.81 0.00 0.00 57.97 59.90 1yr5 h PHE 92 Cb -0.03 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.50 1yr5 h PHE 92 CO -0.02 1.46 2.20 -3.47 -1.61 0.00 0.00 178.31 176.87 1yr5 n ASP 93 N -3.93 3.21 -0.29 2.17 4.64 0.77 -4.54 116.55 118.58 1yr5 n ASP 93 Ca -0.18 -2.75 0.04 0.00 -1.38 0.00 0.00 54.79 50.53 1yr5 n ASP 93 Cb 0.94 -1.44 0.19 0.00 -1.04 0.00 0.00 41.12 39.77 1yr5 n ASP 93 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1yr5 h LYS 94 N 7.84 0.71 -0.17 -0.67 3.64 -1.76 -0.94 116.57 125.22 1yr5 h LYS 94 Ca 0.41 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1yr5 h LYS 94 Cb 0.74 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1yr5 h LYS 94 CO 1.73 0.47 0.00 -0.40 -2.27 0.00 0.00 179.45 178.98 1yr5 n ASP 95 N -4.78 1.58 -1.12 4.20 5.75 -1.26 -4.94 116.55 115.98 1yr5 n ASP 95 Ca 0.15 -1.72 -0.13 0.00 -0.01 0.00 0.00 54.79 53.07 1yr5 n ASP 95 Cb 0.33 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.26 1yr5 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yr5 n GLY 96 N 1.10 1.12 0.44 6.12 0.00 -0.36 -4.89 105.19 108.72 1yr5 n GLY 96 Ca 0.15 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1yr5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yr5 n ASN 97 N -0.24 1.49 0.00 1.61 6.94 -1.26 -4.93 115.26 118.87 1yr5 n ASN 97 Ca -0.14 -1.32 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 1yr5 n ASN 97 Cb 0.47 0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1yr5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yr5 n GLY 98 N 1.27 0.70 2.68 4.83 0.00 -1.26 -5.05 105.19 108.36 1yr5 n GLY 98 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1yr5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yr5 s TYR 99 N -2.34 0.13 -0.31 1.61 1.51 -1.26 -4.05 117.35 112.65 1yr5 s TYR 99 Ca 0.00 0.18 -0.26 0.00 -1.01 0.00 0.00 57.07 55.98 1yr5 s TYR 99 Cb 0.00 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 1yr5 s TYR 99 CO 0.00 -0.22 0.90 0.42 -1.11 0.00 0.00 175.55 175.54 1yr5 s ILE 100 N 2.15 4.69 0.57 2.71 1.01 0.43 -4.83 121.20 127.93 1yr5 s ILE 100 Ca 0.05 1.41 -0.07 0.00 0.00 0.00 0.00 60.65 62.04 1yr5 s ILE 100 Cb -0.12 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 1yr5 s ILE 100 CO -0.04 -0.33 0.90 -0.94 0.00 0.00 0.00 174.94 174.54 1yr5 s SER 101 N 1.61 5.87 0.22 3.58 1.04 -1.26 -1.28 113.70 123.49 1yr5 s SER 101 Ca 0.37 0.93 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 1yr5 s SER 101 Cb -0.13 -2.01 0.32 0.00 0.10 0.00 0.00 66.02 64.29 1yr5 s SER 101 CO 0.13 -0.92 1.79 0.00 0.98 0.00 0.00 173.24 175.23 1yr5 h ALA 102 N -0.12 0.99 -0.16 5.32 0.00 -1.95 -2.07 119.26 121.26 1yr5 h ALA 102 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1yr5 h ALA 102 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1yr5 h ALA 102 CO 0.61 0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.98 1yr5 h ALA 103 N 1.41 0.21 -0.39 0.00 0.00 -1.98 -1.29 119.26 117.22 1yr5 h ALA 103 Ca 0.34 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1yr5 h ALA 103 Cb 0.31 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1yr5 h ALA 103 CO -0.24 -0.29 -0.12 0.93 0.00 0.00 0.00 179.25 179.53 1yr5 h GLU 104 N 0.20 -0.03 -0.09 0.00 5.08 -1.85 -2.21 114.58 115.69 1yr5 h GLU 104 Ca 0.06 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1yr5 h GLU 104 Cb 0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1yr5 h GLU 104 CO -0.01 -0.02 0.03 1.25 -1.00 0.00 0.00 179.01 179.26 1yr5 h LEU 105 N -0.03 0.03 -0.74 1.33 5.85 -1.09 -1.21 115.31 119.46 1yr5 h LEU 105 Ca 0.19 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1yr5 h LEU 105 Cb 0.32 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 1yr5 h LEU 105 CO -0.42 0.03 0.33 -0.09 -0.34 0.00 0.00 178.44 177.95 1yr5 h ARG 106 N 0.07 0.49 0.12 1.25 2.43 -1.15 -0.10 114.38 117.50 1yr5 h ARG 106 Ca 0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1yr5 h ARG 106 Cb 0.02 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1yr5 h ARG 106 CO -0.04 0.33 -0.06 1.25 -1.51 0.00 0.00 179.97 179.94 1yr5 h HIS 107 N 0.51 -0.15 -0.46 2.20 2.76 -1.05 -1.36 115.15 117.60 1yr5 h HIS 107 Ca 0.39 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.63 1yr5 h HIS 107 Cb 0.53 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.48 1yr5 h HIS 107 CO -0.14 0.28 0.12 0.28 -1.30 0.00 0.00 177.93 177.17 1yr5 h VAL 108 N -0.63 0.79 -0.41 5.26 2.07 -1.07 0.18 116.25 122.44 1yr5 h VAL 108 Ca -0.02 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1yr5 h VAL 108 Cb 0.49 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1yr5 h VAL 108 CO 0.03 0.05 0.20 0.24 0.02 0.00 0.00 177.57 178.11 1yr5 h MET 109 N 0.27 0.40 -0.49 1.57 2.07 -1.01 0.47 114.93 118.20 1yr5 h MET 109 Ca 0.22 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.81 1yr5 h MET 109 Cb 0.26 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 1yr5 h MET 109 CO -0.26 0.26 0.26 1.15 1.07 0.00 0.00 176.91 179.38 1yr5 h THR 110 N 0.41 1.18 -0.82 2.22 2.02 -0.67 -1.43 112.91 115.82 1yr5 h THR 110 Ca 0.18 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.92 1yr5 h THR 110 Cb 0.09 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 1yr5 h THR 110 CO -0.13 0.20 0.51 0.78 0.37 0.00 0.00 175.52 177.25 1yr5 h ASN 111 N 0.66 0.82 -0.79 4.18 4.21 -0.07 -0.57 115.58 124.01 1yr5 h ASN 111 Ca 0.17 0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.70 1yr5 h ASN 111 Cb 0.08 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.08 1yr5 h ASN 111 CO -0.02 0.54 0.52 -0.07 -1.29 0.00 0.00 177.43 177.11 1yr5 h LEU 112 N 0.96 0.91 0.00 1.61 -0.00 -0.70 -3.48 115.31 114.62 1yr5 h LEU 112 Ca 0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 1yr5 h LEU 112 Cb 0.10 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1yr5 h LEU 112 CO -0.15 0.67 0.00 0.61 -0.00 0.00 0.00 178.44 179.57 1yr5 n GLY 113 N -1.31 1.99 2.80 0.83 0.00 -0.22 -4.99 105.19 104.30 1yr5 n GLY 113 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1yr5 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yr5 s GLU 114 N -0.07 0.90 0.08 1.61 2.12 -0.71 -4.91 118.70 117.72 1yr5 s GLU 114 Ca 0.00 -1.23 -0.18 0.00 0.36 0.00 0.00 54.97 53.91 1yr5 s GLU 114 Cb 0.00 -2.27 -0.07 0.00 0.26 0.00 0.00 34.13 32.05 1yr5 s GLU 114 CO 0.00 -0.96 0.56 0.15 -0.54 0.00 0.00 175.26 174.47 1yr5 s LYS 115 N 1.46 4.15 0.04 4.30 1.02 -1.26 -4.00 119.74 125.45 1yr5 s LYS 115 Ca 0.09 0.68 -0.00 0.00 0.02 0.00 0.00 55.97 56.76 1yr5 s LYS 115 Cb -0.18 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1yr5 s LYS 115 CO -0.21 0.62 -0.03 -0.48 -0.92 0.00 0.00 175.35 174.33 1yr5 s LEU 116 N -1.24 2.41 0.55 3.17 0.05 -1.26 -5.09 118.68 117.27 1yr5 s LEU 116 Ca 0.30 -0.84 -0.21 0.00 0.05 0.00 0.00 54.13 53.42 1yr5 s LEU 116 Cb -0.19 0.14 -0.04 0.00 -2.05 0.00 0.00 46.19 44.05 1yr5 s LEU 116 CO 0.19 -0.49 1.32 -0.89 -0.55 0.00 0.00 176.35 175.92 1yr5 s THR 117 N -3.12 2.20 0.52 5.48 2.01 -1.26 -4.78 115.64 116.69 1yr5 s THR 117 Ca 0.00 0.14 0.23 0.00 0.31 0.00 0.00 61.69 62.37 1yr5 s THR 117 Cb 0.02 -3.07 0.29 0.00 0.01 0.00 0.00 72.50 69.75 1yr5 s THR 117 CO -0.07 -0.01 2.16 0.44 -0.69 0.00 0.00 174.62 176.45 1yr5 h ASP 118 N 1.35 0.00 -0.84 3.53 3.45 -2.00 0.41 116.42 122.32 1yr5 h ASP 118 Ca -0.51 0.00 0.10 0.00 0.43 0.00 0.00 57.03 57.05 1yr5 h ASP 118 Cb 1.30 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 40.00 1yr5 h ASP 118 CO 0.57 0.05 0.48 -0.08 -1.57 0.00 0.00 179.24 178.69 1yr5 h GLU 119 N 0.00 0.78 -0.04 3.56 4.57 -1.99 0.58 114.58 122.04 1yr5 h GLU 119 Ca -0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1yr5 h GLU 119 Cb 0.10 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1yr5 h GLU 119 CO 0.01 0.52 -0.01 0.93 -1.18 0.00 0.00 179.01 179.27 1yr5 h GLU 120 N 0.80 0.08 -0.16 1.92 5.08 -0.53 -1.39 114.58 120.39 1yr5 h GLU 120 Ca 0.41 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1yr5 h GLU 120 Cb 0.38 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1yr5 h GLU 120 CO -0.25 0.41 -0.02 0.28 -1.00 0.00 0.00 179.01 178.43 1yr5 h VAL 121 N -0.26 0.87 -0.95 3.13 2.07 -1.25 -0.87 116.25 119.00 1yr5 h VAL 121 Ca 0.01 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1yr5 h VAL 121 Cb 0.38 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1yr5 h VAL 121 CO 0.00 0.01 0.62 0.44 0.02 0.00 0.00 177.57 178.66 1yr5 h ASP 122 N 0.03 1.03 -0.76 0.57 5.19 -0.90 -1.11 116.42 120.47 1yr5 h ASP 122 Ca 0.07 -0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1yr5 h ASP 122 Cb 0.10 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.31 1yr5 h ASP 122 CO -0.14 0.71 0.45 -0.33 -3.12 0.00 0.00 179.24 176.82 1yr5 h GLU 123 N 1.20 0.81 -0.40 3.56 5.08 -0.54 0.22 114.58 124.51 1yr5 h GLU 123 Ca 0.37 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1yr5 h GLU 123 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1yr5 h GLU 123 CO -0.11 0.54 0.08 0.52 -1.00 0.00 0.00 179.01 179.03 1yr5 h MET 124 N 0.84 0.65 0.21 2.33 2.86 -0.10 0.05 114.93 121.77 1yr5 h MET 124 Ca 0.33 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1yr5 h MET 124 Cb 0.16 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1yr5 h MET 124 CO -0.17 0.69 -0.10 0.82 1.06 0.00 0.00 176.91 179.21 1yr5 h ILE 125 N 0.51 0.85 -0.85 -1.22 1.08 -1.00 -2.88 117.51 114.00 1yr5 h ILE 125 Ca 0.12 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1yr5 h ILE 125 Cb 0.34 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 1yr5 h ILE 125 CO 0.00 0.06 0.51 0.03 -0.69 0.00 0.00 178.15 178.07 1yr5 h ARG 126 N -0.41 1.15 -0.33 2.37 3.08 -0.44 0.24 114.38 120.04 1yr5 h ARG 126 Ca -0.03 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1yr5 h ARG 126 Cb 0.32 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1yr5 h ARG 126 CO 0.05 0.81 0.02 0.93 -1.07 0.00 0.00 179.97 180.71 1yr5 h GLU 127 N 1.16 0.50 0.00 0.04 5.08 -1.03 -3.08 114.58 117.25 1yr5 h GLU 127 Ca 0.30 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1yr5 h GLU 127 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1yr5 h GLU 127 CO -0.06 0.51 -1.31 0.00 -1.00 0.00 0.00 179.01 177.15 1yr5 n ALA 128 N -2.48 2.12 -2.19 3.43 0.00 -0.72 -4.73 120.51 115.95 1yr5 n ALA 128 Ca 0.01 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.69 1yr5 n ALA 128 Cb 0.22 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1yr5 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yr5 s ASP 129 N -5.62 5.51 0.08 0.00 2.15 0.76 -4.78 116.67 114.78 1yr5 s ASP 129 Ca -0.02 -0.99 -0.11 0.00 0.43 0.00 0.00 52.55 51.85 1yr5 s ASP 129 Cb 0.09 -2.57 -0.21 0.00 -0.30 0.00 0.00 42.92 39.93 1yr5 s ASP 129 CO 0.81 -2.42 1.20 0.40 -0.17 0.00 0.00 175.17 174.98 1yr5 h ILE 130 N 7.02 1.31 0.00 4.11 2.04 -1.85 -3.33 117.51 126.81 1yr5 h ILE 130 Ca 0.14 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.63 1yr5 h ILE 130 Cb 1.00 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1yr5 h ILE 130 CO 1.27 0.72 -0.27 -0.90 0.00 0.00 0.00 178.15 178.97 1yr5 n ASP 131 N -3.80 0.27 0.00 1.72 3.85 -1.26 -4.96 116.55 112.37 1yr5 n ASP 131 Ca -0.10 0.09 0.00 0.00 -0.71 0.00 0.00 54.79 54.07 1yr5 n ASP 131 Cb 0.90 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.58 1yr5 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yr5 n GLY 132 N 1.50 0.41 0.00 6.12 0.00 -1.25 -4.96 105.19 107.00 1yr5 n GLY 132 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1yr5 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yr5 n ASP 133 N 0.00 0.00 0.00 1.61 3.85 -1.26 -4.88 116.55 115.87 1yr5 n ASP 133 Ca 0.00 -0.46 0.00 0.00 -0.71 0.00 0.00 54.79 53.62 1yr5 n ASP 133 Cb 0.00 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 1yr5 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yr5 n GLY 134 N 0.59 0.75 3.43 6.12 0.00 -1.26 -5.02 105.19 109.79 1yr5 n GLY 134 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1yr5 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yr5 s GLN 135 N -0.08 1.65 -0.27 1.61 -0.21 -1.26 -4.52 119.66 116.59 1yr5 s GLN 135 Ca 0.00 -1.94 0.01 0.00 0.02 0.00 0.00 55.36 53.46 1yr5 s GLN 135 Cb 0.00 -0.64 0.06 0.00 1.00 0.00 0.00 33.01 33.43 1yr5 s GLN 135 CO 0.00 -0.29 -0.08 0.08 -2.12 0.00 0.00 175.29 172.89 1yr5 s VAL 136 N -3.40 2.44 0.85 1.09 1.01 -0.40 -4.63 120.40 117.35 1yr5 s VAL 136 Ca 0.34 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.69 1yr5 s VAL 136 Cb 0.07 -2.41 0.15 0.00 0.00 0.00 0.00 36.38 34.19 1yr5 s VAL 136 CO 0.15 -0.04 1.18 0.54 0.00 0.00 0.00 175.10 176.93 1yr5 s ASN 137 N 1.16 3.78 0.13 3.32 2.20 -1.26 -0.43 114.94 123.84 1yr5 s ASN 137 Ca -0.07 0.15 -0.19 0.00 -0.94 0.00 0.00 52.86 51.80 1yr5 s ASN 137 Cb -0.20 -0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 38.62 1yr5 s ASN 137 CO -0.04 -2.28 1.77 0.22 -2.94 0.00 0.00 177.10 173.83 1yr5 h TYR 138 N -1.15 0.25 -0.77 1.54 3.20 -2.00 0.61 116.97 118.66 1yr5 h TYR 138 Ca -0.42 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.53 1yr5 h TYR 138 Cb 1.26 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 1yr5 h TYR 138 CO -0.59 0.15 0.44 1.49 -1.64 0.00 0.00 178.16 178.01 1yr5 h GLU 139 N 0.28 0.76 -0.41 1.82 4.81 -1.95 0.27 114.58 120.15 1yr5 h GLU 139 Ca 0.09 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1yr5 h GLU 139 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1yr5 h GLU 139 CO -0.05 0.50 -0.34 0.93 -0.73 0.00 0.00 179.01 179.32 1yr5 h GLU 140 N 0.78 0.94 -0.60 1.92 5.08 -1.76 -1.35 114.58 119.59 1yr5 h GLU 140 Ca 0.35 -0.47 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1yr5 h GLU 140 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1yr5 h GLU 140 CO -0.21 1.13 0.29 0.35 -1.00 0.00 0.00 179.01 179.57 1yr5 h PHE 141 N 0.78 0.52 -0.40 4.33 3.04 -0.45 -2.41 116.94 122.34 1yr5 h PHE 141 Ca 0.07 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 1yr5 h PHE 141 Cb 0.93 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1yr5 h PHE 141 CO 0.06 0.22 0.18 0.28 -2.02 0.00 0.00 178.31 177.03 1yr5 h VAL 142 N 0.54 1.18 -0.24 1.41 2.07 -0.77 -3.30 116.25 117.14 1yr5 h VAL 142 Ca 0.28 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1yr5 h VAL 142 Cb 0.24 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1yr5 h VAL 142 CO -0.22 0.20 0.10 -0.61 0.02 0.00 0.00 177.57 177.06 1yr5 h GLN 143 N 0.51 0.36 -0.19 1.57 4.15 -1.03 -2.82 115.11 117.66 1yr5 h GLN 143 Ca 0.14 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.55 1yr5 h GLN 143 Cb 0.15 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1yr5 h GLN 143 CO -0.01 0.40 0.18 0.00 -1.93 0.00 0.00 178.83 177.47 1yr5 h MET 144 N 0.24 0.00 -0.06 1.69 -0.00 -1.51 0.47 114.93 115.76 1yr5 h MET 144 Ca 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.80 1yr5 h MET 144 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.77 1yr5 h MET 144 CO -0.01 0.00 0.05 0.52 -0.00 0.00 0.00 176.91 177.47 1yr5 h MET 145 N 0.00 0.00 0.00 -0.10 2.86 -1.57 -2.15 114.93 113.97 1yr5 h MET 145 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1yr5 h MET 145 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1yr5 h MET 145 CO -0.00 0.00 -0.01 1.79 1.06 0.00 0.00 176.91 179.75 1yr5 h THR 146 N 0.00 0.00 -4.21 2.22 1.35 -1.04 -3.47 112.91 107.76 1yr5 h THR 146 Ca 0.03 -0.82 -0.50 0.00 -0.55 0.00 0.00 66.41 64.56 1yr5 h THR 146 Cb 0.13 1.82 0.06 0.00 -1.73 0.00 0.00 68.15 68.42 1yr5 h THR 146 CO -0.00 0.00 0.36 0.00 -0.25 0.00 0.00 175.52 175.63 1yr5 s ALA 147 N -3.17 3.14 -1.22 6.62 0.00 -0.81 -5.18 121.76 121.12 1yr5 s ALA 147 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1yr5 s ALA 147 Cb 0.08 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1yr5 s ALA 147 CO 0.65 -0.69 0.31 1.17 0.00 0.00 0.00 175.76 177.20