#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cm1 s THR 5 N 0.00 2.42 0.16 1.96 -4.23 -1.26 -4.81 115.64 109.87 1cm1 s THR 5 Ca 0.00 0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.50 1cm1 s THR 5 Cb 0.00 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.38 1cm1 s THR 5 CO 0.00 -0.18 1.78 -0.08 -0.54 0.00 0.00 174.62 175.61 1cm1 h GLU 6 N -1.81 0.65 -0.22 3.99 4.22 -2.05 -0.84 114.58 118.52 1cm1 h GLU 6 Ca -0.52 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 58.72 1cm1 h GLU 6 Cb 1.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1cm1 h GLU 6 CO 0.53 0.49 -0.43 1.05 -2.18 0.00 0.00 179.01 178.46 1cm1 h GLU 7 N 0.63 0.53 -0.34 1.92 4.11 -1.98 -2.16 114.58 117.28 1cm1 h GLU 7 Ca 0.17 -0.28 -0.12 0.00 0.07 0.00 0.00 59.36 59.20 1cm1 h GLU 7 Cb 0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1cm1 h GLU 7 CO -0.03 0.87 -0.28 1.96 0.07 0.00 0.00 179.01 181.60 1cm1 h GLN 8 N 0.43 0.72 0.00 1.06 4.20 -1.84 -0.54 115.11 119.15 1cm1 h GLN 8 Ca 0.03 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 1cm1 h GLN 8 Cb 0.94 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1cm1 h GLN 8 CO 0.08 0.91 -0.41 0.82 -0.67 0.00 0.00 178.83 179.56 1cm1 h ILE 9 N 0.61 1.01 0.00 2.54 2.04 -1.06 -1.84 117.51 120.81 1cm1 h ILE 9 Ca 0.08 -1.58 -0.18 0.00 1.00 0.00 0.00 64.86 64.17 1cm1 h ILE 9 Cb 0.79 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1cm1 h ILE 9 CO 0.06 0.40 -0.86 0.00 0.00 0.00 0.00 178.15 177.76 1cm1 h ALA 10 N 1.59 0.58 -0.16 1.87 0.00 -0.97 -1.51 119.26 120.66 1cm1 h ALA 10 Ca -0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 54.91 54.02 1cm1 h ALA 10 Cb 0.90 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1cm1 h ALA 10 CO 0.05 1.03 -0.37 0.93 0.00 0.00 0.00 179.25 180.89 1cm1 h GLU 11 N 0.02 0.54 -0.12 0.00 5.08 -0.91 -2.13 114.58 117.06 1cm1 h GLU 11 Ca -0.02 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 1cm1 h GLU 11 Cb 1.51 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1cm1 h GLU 11 CO 0.12 0.98 -0.26 0.74 -1.00 0.00 0.00 179.01 179.58 1cm1 h PHE 12 N 0.18 0.23 -0.18 4.33 0.04 -1.37 -0.41 116.94 119.77 1cm1 h PHE 12 Ca -0.00 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1cm1 h PHE 12 Cb 0.98 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 1cm1 h PHE 12 CO 0.10 0.46 -0.37 -0.22 -0.60 0.00 0.00 178.31 177.68 1cm1 h LYS 13 N 0.19 0.38 -0.29 1.51 3.64 -1.25 0.13 116.57 120.89 1cm1 h LYS 13 Ca 0.03 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 1cm1 h LYS 13 Cb 0.58 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1cm1 h LYS 13 CO 0.04 0.70 -0.34 1.49 -2.27 0.00 0.00 179.45 179.07 1cm1 h GLU 14 N 0.32 0.74 -0.24 1.90 4.57 -0.66 -2.26 114.58 118.95 1cm1 h GLU 14 Ca 0.03 -0.41 -0.09 0.00 -1.18 0.00 0.00 59.36 57.71 1cm1 h GLU 14 Cb 0.81 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1cm1 h GLU 14 CO 0.06 1.03 -0.24 0.00 -1.18 0.00 0.00 179.01 178.69 1cm1 h ALA 15 N 0.69 1.15 -0.45 2.92 0.00 -0.85 -2.91 119.26 119.82 1cm1 h ALA 15 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1cm1 h ALA 15 Cb 0.93 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1cm1 h ALA 15 CO 0.08 0.54 0.19 0.35 0.00 0.00 0.00 179.25 180.41 1cm1 h PHE 16 N 0.40 0.66 0.00 0.00 3.57 -0.92 -2.92 116.94 117.73 1cm1 h PHE 16 Ca 0.06 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1cm1 h PHE 16 Cb 0.64 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1cm1 h PHE 16 CO 0.02 0.56 -0.03 0.77 -2.23 0.00 0.00 178.31 177.39 1cm1 h SER 17 N 0.58 0.00 0.86 0.41 0.02 -1.20 -1.53 113.55 112.68 1cm1 h SER 17 Ca 0.15 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.88 1cm1 h SER 17 Cb 0.16 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1cm1 h SER 17 CO -0.02 0.03 -1.22 -0.07 -1.14 0.00 0.00 176.83 174.42 1cm1 h LEU 18 N 0.00 0.00 0.01 5.07 3.38 -1.47 -3.31 115.31 118.99 1cm1 h LEU 18 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1cm1 h LEU 18 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1cm1 h LEU 18 CO 0.00 0.91 -1.11 -0.26 0.09 0.00 0.00 178.44 178.08 1cm1 h PHE 19 N 0.00 0.40 -0.95 1.13 0.04 -1.42 -3.39 116.94 112.75 1cm1 h PHE 19 Ca -0.11 -0.27 -0.71 0.00 2.80 0.00 0.00 57.97 59.67 1cm1 h PHE 19 Cb 1.80 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 39.82 1cm1 h PHE 19 CO 0.00 1.18 2.29 -3.47 -0.60 0.00 0.00 178.31 177.70 1cm1 n ASP 20 N -3.55 4.71 0.01 2.17 2.03 -0.60 -4.66 116.55 116.66 1cm1 n ASP 20 Ca -0.06 -2.94 0.04 0.00 0.52 0.00 0.00 54.79 52.35 1cm1 n ASP 20 Cb 0.95 -1.64 0.43 0.00 -0.72 0.00 0.00 41.12 40.15 1cm1 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cm1 h LYS 21 N 6.70 0.52 0.00 -0.67 1.57 -1.79 -1.91 116.57 120.99 1cm1 h LYS 21 Ca 0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1cm1 h LYS 21 Cb 0.76 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1cm1 h LYS 21 CO 1.57 0.35 -0.59 -0.40 -0.57 0.00 0.00 179.45 179.81 1cm1 n ASP 22 N -4.48 0.56 -1.15 0.86 5.68 -1.26 -4.99 116.55 111.78 1cm1 n ASP 22 Ca 0.03 -0.16 -0.06 0.00 -0.50 0.00 0.00 54.79 54.10 1cm1 n ASP 22 Cb 0.06 0.29 0.01 0.00 -1.14 0.00 0.00 41.12 40.35 1cm1 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm1 n GLY 23 N 1.45 0.44 0.88 6.12 0.00 -0.72 -4.96 105.19 108.39 1cm1 n GLY 23 Ca 0.05 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1cm1 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm1 n ASP 24 N 0.45 2.72 0.00 1.61 5.75 -1.26 -4.96 116.55 120.86 1cm1 n ASP 24 Ca -0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1cm1 n ASP 24 Cb 0.53 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1cm1 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cm1 n GLY 25 N 1.33 0.68 3.19 6.12 0.00 -1.26 -5.06 105.19 110.20 1cm1 n GLY 25 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1cm1 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cm1 s THR 26 N -2.57 1.24 -0.24 2.61 -4.23 -1.26 -4.05 115.64 107.15 1cm1 s THR 26 Ca 0.00 -1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1cm1 s THR 26 Cb 0.00 -1.17 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 1cm1 s THR 26 CO 0.00 -0.16 0.02 -0.63 -0.54 0.00 0.00 174.62 173.32 1cm1 s ILE 27 N -1.19 3.95 0.72 2.99 1.01 0.14 -4.79 121.20 124.02 1cm1 s ILE 27 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1cm1 s ILE 27 Cb -0.10 -2.83 0.10 0.00 0.01 0.00 0.00 42.46 39.65 1cm1 s ILE 27 CO 0.03 0.38 1.01 0.42 0.00 0.00 0.00 174.94 176.77 1cm1 s THR 28 N 1.53 2.25 0.38 2.92 -4.23 -1.26 -2.31 115.64 114.91 1cm1 s THR 28 Ca 0.06 -0.43 0.13 0.00 -1.18 0.00 0.00 61.69 60.27 1cm1 s THR 28 Cb -0.15 -2.82 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1cm1 s THR 28 CO 0.01 0.00 1.84 0.71 -0.54 0.00 0.00 174.62 176.64 1cm1 h THR 29 N -0.61 1.25 -0.62 3.99 1.35 -1.90 -2.62 112.91 113.75 1cm1 h THR 29 Ca -0.41 -1.21 -0.08 0.00 -0.55 0.00 0.00 66.41 64.16 1cm1 h THR 29 Cb 1.28 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 1cm1 h THR 29 CO 0.48 0.35 0.06 0.11 -0.25 0.00 0.00 175.52 176.27 1cm1 h LYS 30 N 0.01 1.04 -0.08 4.72 1.57 -1.98 -0.59 116.57 121.26 1cm1 h LYS 30 Ca -0.00 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.30 1cm1 h LYS 30 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1cm1 h LYS 30 CO 0.05 0.99 -0.69 0.93 -0.57 0.00 0.00 179.45 180.16 1cm1 h GLU 31 N 0.95 0.35 -0.56 3.15 5.08 -1.85 -1.19 114.58 120.51 1cm1 h GLU 31 Ca 0.18 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1cm1 h GLU 31 Cb 0.48 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1cm1 h GLU 31 CO 0.02 0.91 0.28 -0.07 -1.00 0.00 0.00 179.01 179.15 1cm1 h LEU 32 N 0.24 0.73 -0.18 1.33 3.38 -1.34 -2.04 115.31 117.43 1cm1 h LEU 32 Ca -0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1cm1 h LEU 32 Cb 1.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1cm1 h LEU 32 CO 0.12 0.64 -0.03 1.23 0.09 0.00 0.00 178.44 180.48 1cm1 h GLY 33 N 0.76 0.37 1.17 0.83 0.00 -0.99 -1.96 103.07 103.25 1cm1 h GLY 33 Ca 0.20 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1cm1 h GLY 33 CO -0.03 0.27 0.19 -0.84 0.00 0.00 0.00 176.54 176.13 1cm1 h THR 34 N 0.07 1.25 -0.14 4.70 2.02 -1.23 -0.68 112.91 118.90 1cm1 h THR 34 Ca 0.05 -0.88 -0.23 0.00 0.77 0.00 0.00 66.41 66.12 1cm1 h THR 34 Cb 0.45 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1cm1 h THR 34 CO 0.02 0.34 -0.80 0.58 0.37 0.00 0.00 175.52 176.02 1cm1 h VAL 35 N 0.99 1.28 -0.40 3.16 2.07 -1.37 -2.59 116.25 119.39 1cm1 h VAL 35 Ca 0.22 -2.00 -0.09 0.00 0.82 0.00 0.00 66.70 65.65 1cm1 h VAL 35 Cb 0.31 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1cm1 h VAL 35 CO -0.00 0.63 -0.10 0.24 0.02 0.00 0.00 177.57 178.36 1cm1 h MET 36 N 0.52 0.71 -0.07 1.57 2.86 -1.23 -3.01 114.93 116.28 1cm1 h MET 36 Ca -0.06 -0.22 -0.13 0.00 -2.06 0.00 0.00 59.70 57.23 1cm1 h MET 36 Cb 1.43 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 1cm1 h MET 36 CO 0.16 0.79 -0.54 0.00 1.06 0.00 0.00 176.91 178.39 1cm1 h ARG 37 N 0.65 0.21 0.00 1.72 3.08 -1.14 0.16 114.38 119.07 1cm1 h ARG 37 Ca 0.11 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1cm1 h ARG 37 Cb 0.55 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1cm1 h ARG 37 CO 0.03 0.70 0.00 0.66 -1.07 0.00 0.00 179.97 180.29 1cm1 h SER 38 N 0.16 0.00 -0.44 7.04 4.64 -1.36 -1.89 113.55 121.70 1cm1 h SER 38 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1cm1 h SER 38 Cb 1.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 1cm1 h SER 38 CO 0.08 0.00 0.07 0.18 -0.87 0.00 0.00 176.83 176.29 1cm1 n LEU 39 N -2.35 4.74 -0.54 5.97 4.77 -1.07 -4.96 117.00 123.56 1cm1 n LEU 39 Ca 0.02 -3.20 -0.06 0.00 -0.03 0.00 0.00 56.01 52.75 1cm1 n LEU 39 Cb 0.25 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1cm1 n LEU 39 CO 0.21 0.80 -0.06 0.61 -1.33 0.00 0.00 177.39 177.62 1cm1 n GLY 40 N -0.41 0.63 3.77 -0.72 0.00 -0.71 -5.04 105.19 102.72 1cm1 n GLY 40 Ca 0.30 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1cm1 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cm1 s GLN 41 N -3.05 2.76 -0.45 1.61 2.00 0.02 -4.99 119.66 117.56 1cm1 s GLN 41 Ca 0.00 -1.12 0.06 0.00 -2.00 0.00 0.00 55.36 52.30 1cm1 s GLN 41 Cb 0.00 -2.47 0.22 0.00 0.80 0.00 0.00 33.01 31.55 1cm1 s GLN 41 CO 0.00 0.40 0.48 -1.71 -0.50 0.00 0.00 175.29 173.96 1cm1 n ASN 42 N -0.99 0.54 -4.78 6.67 2.85 -1.26 -3.42 115.26 114.87 1cm1 n ASN 42 Ca -0.08 -2.70 -0.36 0.00 -0.11 0.00 0.00 54.58 51.34 1cm1 n ASN 42 Cb 0.58 -0.62 -0.01 0.00 1.24 0.00 0.00 39.78 40.97 1cm1 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1cm1 s PRO 43 N -0.91 3.53 0.51 1.20 0.04 -1.26 -5.06 135.00 133.06 1cm1 s PRO 43 Ca 0.34 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1cm1 s PRO 43 Cb 0.11 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1cm1 s PRO 43 CO -0.14 -0.70 0.78 0.95 0.04 0.00 0.00 177.00 177.93 1cm1 s THR 44 N -1.73 3.95 0.43 1.26 -4.23 -1.26 -4.94 115.64 109.12 1cm1 s THR 44 Ca 0.69 -0.22 0.10 0.00 -1.18 0.00 0.00 61.69 61.08 1cm1 s THR 44 Cb -0.24 -3.51 0.29 0.00 1.34 0.00 0.00 72.50 70.38 1cm1 s THR 44 CO 0.28 -0.44 2.04 1.05 -0.54 0.00 0.00 174.62 177.01 1cm1 h GLU 45 N 0.14 0.46 -0.04 3.99 9.09 -1.99 -1.48 114.58 124.76 1cm1 h GLU 45 Ca -0.46 -0.03 -0.20 0.00 0.05 0.00 0.00 59.36 58.72 1cm1 h GLU 45 Cb 1.25 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1cm1 h GLU 45 CO 0.59 0.30 -0.82 0.00 0.05 0.00 0.00 179.01 179.13 1cm1 h ALA 46 N 1.74 0.51 -0.09 1.06 0.00 -1.98 -1.46 119.26 119.04 1cm1 h ALA 46 Ca 0.18 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1cm1 h ALA 46 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cm1 h ALA 46 CO -0.05 0.81 -0.66 0.93 0.00 0.00 0.00 179.25 180.28 1cm1 h GLU 47 N 0.23 0.38 -0.18 0.00 5.08 -1.82 -2.05 114.58 116.22 1cm1 h GLU 47 Ca -0.05 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.86 1cm1 h GLU 47 Cb 1.43 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1cm1 h GLU 47 CO 0.14 0.91 -0.60 -0.07 -1.00 0.00 0.00 179.01 178.39 1cm1 h LEU 48 N 0.27 0.66 -0.45 1.33 3.38 -1.26 -2.31 115.31 116.92 1cm1 h LEU 48 Ca -0.02 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.41 1cm1 h LEU 48 Cb 1.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1cm1 h LEU 48 CO 0.11 1.10 -0.60 -0.61 0.09 0.00 0.00 178.44 178.53 1cm1 h GLN 49 N 0.44 0.57 -0.12 1.13 5.75 -1.24 -2.83 115.11 118.80 1cm1 h GLN 49 Ca -0.00 -0.38 -0.11 0.00 -0.15 0.00 0.00 58.65 58.00 1cm1 h GLN 49 Cb 1.16 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1cm1 h GLN 49 CO 0.11 1.00 -0.43 -0.44 -2.65 0.00 0.00 178.83 176.42 1cm1 h ASP 50 N 0.42 0.29 -0.61 -0.69 3.32 -1.33 -0.94 116.42 116.88 1cm1 h ASP 50 Ca -0.00 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1cm1 h ASP 50 Cb 1.16 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1cm1 h ASP 50 CO 0.11 0.69 0.17 -0.03 -1.72 0.00 0.00 179.24 178.46 1cm1 h MET 51 N 0.22 0.96 -0.03 3.56 4.05 -1.33 -1.79 114.93 120.57 1cm1 h MET 51 Ca 0.02 -0.22 -0.19 0.00 -0.28 0.00 0.00 59.70 59.03 1cm1 h MET 51 Cb 0.86 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1cm1 h MET 51 CO 0.07 0.86 -0.71 0.82 0.23 0.00 0.00 176.91 178.18 1cm1 h ILE 52 N 0.88 1.36 -0.06 1.77 2.04 -1.45 -3.28 117.51 118.77 1cm1 h ILE 52 Ca 0.19 -2.06 0.02 0.00 1.00 0.00 0.00 64.86 64.01 1cm1 h ILE 52 Cb 0.32 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1cm1 h ILE 52 CO -0.00 0.62 0.06 0.78 0.00 0.00 0.00 178.15 179.61 1cm1 h ASN 53 N 0.12 0.00 -0.23 1.72 -0.26 -0.94 0.51 115.58 116.50 1cm1 h ASN 53 Ca -0.08 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.52 1cm1 h ASN 53 Cb 1.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1cm1 h ASN 53 CO 0.14 0.00 -0.42 -0.33 -1.06 0.00 0.00 177.43 175.76 1cm1 h GLU 54 N 0.00 0.68 0.00 0.81 5.08 -1.41 -3.33 114.58 116.41 1cm1 h GLU 54 Ca 0.03 -0.43 -0.22 0.00 -1.00 0.00 0.00 59.36 57.74 1cm1 h GLU 54 Cb 0.16 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1cm1 h GLU 54 CO -0.00 1.05 -1.16 0.28 -1.00 0.00 0.00 179.01 178.18 1cm1 h VAL 55 N 0.39 1.32 -1.43 3.13 2.07 -1.30 -3.45 116.25 116.98 1cm1 h VAL 55 Ca 0.01 -3.02 -0.42 0.00 0.82 0.00 0.00 66.70 64.09 1cm1 h VAL 55 Cb 1.02 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 1cm1 h VAL 55 CO 0.09 0.75 1.09 -0.62 0.02 0.00 0.00 177.57 178.90 1cm1 s ASP 56 N -6.46 5.29 -0.10 0.57 2.15 0.06 -4.85 116.67 113.32 1cm1 s ASP 56 Ca -0.00 -0.18 -0.26 0.00 0.43 0.00 0.00 52.55 52.53 1cm1 s ASP 56 Cb 0.09 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 39.94 1cm1 s ASP 56 CO 0.81 -2.49 0.89 0.00 -0.17 0.00 0.00 175.17 174.22 1cm1 h ALA 57 N 13.06 -0.02 -0.00 3.66 0.00 -1.90 -3.35 119.26 130.70 1cm1 h ALA 57 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cm1 h ALA 57 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1cm1 h ALA 57 CO 1.22 -0.10 -0.05 -0.40 0.00 0.00 0.00 179.25 179.93 1cm1 n ASP 58 N -4.72 0.38 -0.73 0.00 5.68 -1.26 -4.97 116.55 110.93 1cm1 n ASP 58 Ca -0.09 -0.75 -0.09 0.00 -0.50 0.00 0.00 54.79 53.36 1cm1 n ASP 58 Cb 0.37 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 1cm1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm1 n GLY 59 N 1.18 0.89 0.47 6.12 0.00 -1.26 -4.92 105.19 107.68 1cm1 n GLY 59 Ca 0.18 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1cm1 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cm1 n ASN 60 N 0.53 1.42 0.00 1.61 6.94 -1.26 -4.93 115.26 119.57 1cm1 n ASN 60 Ca -0.09 -1.63 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 1cm1 n ASN 60 Cb 0.34 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1cm1 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cm1 n GLY 61 N 1.09 1.17 3.73 4.83 0.00 -1.26 -5.05 105.19 109.70 1cm1 n GLY 61 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1cm1 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cm1 s THR 62 N -2.33 1.54 -0.25 2.61 -4.23 -1.26 -4.80 115.64 106.93 1cm1 s THR 62 Ca 0.00 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1cm1 s THR 62 Cb 0.00 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1cm1 s THR 62 CO 0.00 0.00 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.36 1cm1 s ILE 63 N -2.80 2.50 0.87 2.99 1.01 -0.98 -4.76 121.20 120.05 1cm1 s ILE 63 Ca 0.20 -1.29 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 1cm1 s ILE 63 Cb 0.04 -2.33 0.18 0.00 0.01 0.00 0.00 42.46 40.36 1cm1 s ILE 63 CO 0.10 0.13 1.19 1.51 0.00 0.00 0.00 174.94 177.88 1cm1 s ASP 64 N 1.23 3.51 0.18 3.58 1.47 -1.26 -0.68 116.67 124.69 1cm1 s ASP 64 Ca -0.03 -0.12 -0.07 0.00 1.18 0.00 0.00 52.55 53.50 1cm1 s ASP 64 Cb -0.18 0.00 0.08 0.00 -0.34 0.00 0.00 42.92 42.49 1cm1 s ASP 64 CO -0.06 -2.45 1.57 0.15 0.68 0.00 0.00 175.17 175.07 1cm1 h PHE 65 N -1.20 1.02 -0.95 2.11 3.57 -2.00 -2.59 116.94 116.89 1cm1 h PHE 65 Ca -0.40 -0.25 0.19 0.00 3.53 0.00 0.00 57.97 61.04 1cm1 h PHE 65 Cb 1.24 -0.24 -0.11 0.00 2.79 0.00 0.00 35.95 39.63 1cm1 h PHE 65 CO -0.87 1.03 0.54 -1.35 -2.23 0.00 0.00 178.31 175.43 1cm1 h PRO 66 N 0.76 0.64 -0.32 6.41 0.11 -1.96 -1.62 132.00 136.02 1cm1 h PRO 66 Ca 0.10 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.99 1cm1 h PRO 66 Cb 0.80 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1cm1 h PRO 66 CO 0.07 0.42 -0.48 0.93 -0.21 0.00 0.00 178.00 178.73 1cm1 h GLU 67 N 0.66 0.88 -0.81 1.05 5.08 -1.86 -2.52 114.58 117.07 1cm1 h GLU 67 Ca 0.56 -0.53 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1cm1 h GLU 67 Cb 0.90 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1cm1 h GLU 67 CO -0.41 1.17 0.53 0.35 -1.00 0.00 0.00 179.01 179.65 1cm1 h PHE 68 N 0.68 0.98 -0.41 4.33 3.04 -1.24 -1.82 116.94 122.49 1cm1 h PHE 68 Ca 0.03 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 1cm1 h PHE 68 Cb 1.09 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 1cm1 h PHE 68 CO 0.07 0.59 -0.09 1.25 -2.02 0.00 0.00 178.31 178.10 1cm1 h LEU 69 N 1.03 0.71 -0.36 0.59 5.85 -1.13 -2.17 115.31 119.84 1cm1 h LEU 69 Ca 0.31 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 1cm1 h LEU 69 Cb -0.02 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 1cm1 h LEU 69 CO -0.08 0.84 -0.39 0.74 -0.34 0.00 0.00 178.44 179.21 1cm1 h THR 70 N 0.66 1.28 -0.14 1.05 2.02 -0.92 -2.68 112.91 114.19 1cm1 h THR 70 Ca 0.12 -1.56 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1cm1 h THR 70 Cb 0.55 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1cm1 h THR 70 CO 0.03 0.52 -0.04 -0.03 0.37 0.00 0.00 175.52 176.37 1cm1 h MET 71 N 0.70 -0.01 -0.02 6.66 1.85 -1.20 -2.38 114.93 120.53 1cm1 h MET 71 Ca 0.05 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.07 1cm1 h MET 71 Cb 0.98 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 1cm1 h MET 71 CO 0.09 -0.01 -0.32 0.52 -0.40 0.00 0.00 176.91 176.80 1cm1 h MET 72 N -0.01 0.03 0.04 0.39 2.07 -1.34 -2.99 114.93 113.13 1cm1 h MET 72 Ca 0.07 -0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1cm1 h MET 72 Cb 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1cm1 h MET 72 CO -0.15 0.35 -0.02 0.00 1.07 0.00 0.00 176.91 178.16 1cm1 h ALA 73 N 1.65 -0.06 -2.60 6.32 0.00 -1.33 -3.32 119.26 119.92 1cm1 h ALA 73 Ca 0.00 -0.28 -0.78 0.00 0.00 0.00 0.00 54.91 53.85 1cm1 h ALA 73 Cb 0.58 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.10 1cm1 h ALA 73 CO 0.04 -0.23 0.38 -2.13 0.00 0.00 0.00 179.25 177.30 1cm1 n ARG 74 N -4.84 3.41 -1.59 0.00 3.00 -0.91 -5.03 116.66 110.71 1cm1 n ARG 74 Ca -0.09 -4.46 -0.39 0.00 -0.00 0.00 0.00 57.85 52.91 1cm1 n ARG 74 Cb 0.29 -2.53 0.03 0.00 0.00 0.00 0.00 32.46 30.25 1cm1 n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1cm1 n LYS 75 N 2.60 1.03 -2.29 -0.14 3.00 -1.13 -4.71 118.16 116.51 1cm1 n LYS 75 Ca 0.24 0.38 -0.41 0.00 -0.00 0.00 0.00 58.31 58.52 1cm1 n LYS 75 Cb 0.39 -2.03 -0.03 0.00 0.00 0.00 0.00 35.03 33.35 1cm1 n LYS 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1cm1 s MET 76 N -2.31 4.44 0.43 1.64 0.00 -1.26 -5.01 119.30 117.22 1cm1 s MET 76 Ca 0.69 1.98 -0.21 0.00 0.00 0.00 0.00 55.69 58.15 1cm1 s MET 76 Cb -0.48 -3.20 -0.11 0.00 0.00 0.00 0.00 34.83 31.04 1cm1 s MET 76 CO 0.53 -0.16 0.96 0.15 0.00 0.00 0.00 175.02 176.50 1cm1 s LYS 77 N -0.34 4.21 0.01 4.11 1.02 -1.26 -5.06 119.74 122.43 1cm1 s LYS 77 Ca 0.54 1.18 -0.25 0.00 0.02 0.00 0.00 55.97 57.46 1cm1 s LYS 77 Cb -0.35 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 1cm1 s LYS 77 CO 0.39 -0.06 0.78 0.16 -0.92 0.00 0.00 175.35 175.70 1cm1 s ASP 78 N -2.09 7.18 -0.22 2.83 -4.77 -1.26 -4.97 116.67 113.37 1cm1 s ASP 78 Ca 0.62 1.41 -0.09 0.00 -3.30 0.00 0.00 52.55 51.19 1cm1 s ASP 78 Cb -0.11 -2.47 -0.18 0.00 -1.09 0.00 0.00 42.92 39.07 1cm1 s ASP 78 CO 0.15 -0.05 -0.02 0.35 0.70 0.00 0.00 175.17 176.30 1cm1 n THR 79 N 3.17 1.58 0.00 2.11 -2.24 -1.26 -4.86 114.28 112.78 1cm1 n THR 79 Ca -0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1cm1 n THR 79 Cb 0.51 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 1cm1 n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1cm1 n ASP 80 N -3.81 0.00 -4.40 3.42 5.75 -1.26 -5.01 116.55 111.24 1cm1 n ASP 80 Ca -0.42 0.00 -0.45 0.00 -0.01 0.00 0.00 54.79 53.91 1cm1 n ASP 80 Cb 0.92 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.99 1cm1 n ASP 80 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1cm1 s SER 81 N -1.09 6.76 0.22 -1.12 0.01 -1.26 -4.81 113.70 112.41 1cm1 s SER 81 Ca 0.00 -2.46 0.16 0.00 1.31 0.00 0.00 55.95 54.97 1cm1 s SER 81 Cb 0.00 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 63.93 1cm1 s SER 81 CO 0.00 -0.81 1.26 1.05 0.41 0.00 0.00 173.24 175.15 1cm1 h GLU 82 N 8.17 0.00 -3.10 12.44 9.09 -1.94 -3.39 114.58 135.84 1cm1 h GLU 82 Ca 0.15 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.84 1cm1 h GLU 82 Cb 1.01 0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 27.77 1cm1 h GLU 82 CO 0.98 0.38 0.10 -1.91 0.05 0.00 0.00 179.01 178.61 1cm1 n GLU 83 N -3.09 3.13 0.15 1.06 4.07 -1.26 -4.82 120.64 119.89 1cm1 n GLU 83 Ca -0.01 -4.52 0.13 0.00 -0.06 0.00 0.00 57.16 52.69 1cm1 n GLU 83 Cb 0.74 -2.43 0.50 0.00 -0.06 0.00 0.00 31.44 30.19 1cm1 n GLU 83 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1cm1 h GLU 84 N 5.70 0.00 -0.19 5.31 5.08 -2.00 -3.09 114.58 125.39 1cm1 h GLU 84 Ca 0.18 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1cm1 h GLU 84 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1cm1 h GLU 84 CO 0.98 0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 179.73 1cm1 h ILE 85 N 0.00 1.30 -0.53 3.13 1.08 -1.97 -1.55 117.51 118.97 1cm1 h ILE 85 Ca 0.00 -1.11 -0.11 0.00 -0.39 0.00 0.00 64.86 63.25 1cm1 h ILE 85 Cb 0.43 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 1cm1 h ILE 85 CO 0.00 0.33 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.60 1cm1 h ARG 86 N 0.08 0.99 -0.54 2.37 9.65 -1.96 0.22 114.38 125.19 1cm1 h ARG 86 Ca 0.04 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 1cm1 h ARG 86 Cb 0.55 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 1cm1 h ARG 86 CO 0.02 1.03 0.31 0.93 2.80 0.00 0.00 179.97 185.06 1cm1 h GLU 87 N 0.88 0.75 -0.15 0.20 4.39 -1.54 -1.44 114.58 117.67 1cm1 h GLU 87 Ca 0.14 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.60 1cm1 h GLU 87 Cb 0.65 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1cm1 h GLU 87 CO 0.05 0.56 -0.58 0.00 -1.16 0.00 0.00 179.01 177.88 1cm1 h ALA 88 N 1.14 0.71 -0.67 3.43 0.00 -1.20 -3.07 119.26 119.60 1cm1 h ALA 88 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1cm1 h ALA 88 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1cm1 h ALA 88 CO -0.03 0.70 0.27 0.35 0.00 0.00 0.00 179.25 180.53 1cm1 h PHE 89 N 0.37 0.99 0.00 0.00 3.57 -0.61 -1.91 116.94 119.34 1cm1 h PHE 89 Ca 0.00 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1cm1 h PHE 89 Cb 1.12 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1cm1 h PHE 89 CO 0.04 0.75 -0.13 0.00 -2.23 0.00 0.00 178.31 176.75 1cm1 h ARG 90 N 0.96 0.00 -0.03 1.11 3.08 -1.19 -0.01 114.38 118.29 1cm1 h ARG 90 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.09 1cm1 h ARG 90 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1cm1 h ARG 90 CO -0.02 0.13 -0.79 0.28 -1.07 0.00 0.00 179.97 178.50 1cm1 h VAL 91 N 0.00 1.43 0.22 2.04 2.07 -1.26 -3.33 116.25 117.42 1cm1 h VAL 91 Ca -0.00 -2.34 -0.33 0.00 0.82 0.00 0.00 66.70 64.85 1cm1 h VAL 91 Cb 0.55 2.27 0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1cm1 h VAL 91 CO 0.02 0.69 -1.54 -0.26 0.02 0.00 0.00 177.57 176.50 1cm1 h PHE 92 N 0.18 0.84 -1.17 1.57 -1.00 -1.23 -3.40 116.94 112.73 1cm1 h PHE 92 Ca -0.04 -0.61 -0.71 0.00 2.81 0.00 0.00 57.97 59.42 1cm1 h PHE 92 Cb 1.38 -0.03 -0.11 0.00 3.61 0.00 0.00 35.95 40.79 1cm1 h PHE 92 CO 0.03 1.59 2.09 -3.47 -1.61 0.00 0.00 178.31 176.95 1cm1 n ASP 93 N -3.71 4.86 -0.25 2.17 2.03 -0.06 -4.62 116.55 116.97 1cm1 n ASP 93 Ca -0.20 -2.95 -0.03 0.00 0.52 0.00 0.00 54.79 52.13 1cm1 n ASP 93 Cb 1.07 -1.64 0.08 0.00 -0.72 0.00 0.00 41.12 39.90 1cm1 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cm1 h LYS 94 N 6.91 0.82 -0.07 -0.67 1.57 -1.78 -2.15 116.57 121.21 1cm1 h LYS 94 Ca 0.42 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1cm1 h LYS 94 Cb 0.80 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1cm1 h LYS 94 CO 1.49 0.54 0.00 -0.40 -0.57 0.00 0.00 179.45 180.52 1cm1 n ASP 95 N -4.67 1.36 -0.44 0.86 5.68 -1.26 -4.95 116.55 113.13 1cm1 n ASP 95 Ca 0.07 -1.53 -0.06 0.00 -0.50 0.00 0.00 54.79 52.77 1cm1 n ASP 95 Cb 0.09 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1cm1 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm1 n GLY 96 N 1.12 0.78 0.05 6.12 0.00 -0.81 -4.91 105.19 107.55 1cm1 n GLY 96 Ca 0.18 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1cm1 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cm1 n ASN 97 N 0.12 0.15 0.00 1.61 6.94 -1.26 -4.90 115.26 117.92 1cm1 n ASN 97 Ca -0.06 -0.82 0.00 0.00 -0.02 0.00 0.00 54.58 53.69 1cm1 n ASN 97 Cb 0.28 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 1cm1 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cm1 n GLY 98 N 1.10 0.80 2.74 4.83 0.00 -1.26 -5.06 105.19 108.33 1cm1 n GLY 98 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1cm1 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cm1 s TYR 99 N -2.16 0.04 -0.16 1.61 1.51 -1.26 -3.91 117.35 113.02 1cm1 s TYR 99 Ca 0.00 0.18 -0.21 0.00 -1.01 0.00 0.00 57.07 56.03 1cm1 s TYR 99 Cb 0.00 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 1cm1 s TYR 99 CO 0.00 -0.13 0.64 0.42 -1.11 0.00 0.00 175.55 175.37 1cm1 s ILE 100 N 1.45 5.04 0.37 2.71 1.01 0.15 -4.86 121.20 127.08 1cm1 s ILE 100 Ca -0.04 1.24 0.07 0.00 0.00 0.00 0.00 60.65 61.92 1cm1 s ILE 100 Cb -0.13 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.38 1cm1 s ILE 100 CO -0.03 0.16 0.50 -0.94 0.00 0.00 0.00 174.94 174.63 1cm1 s SER 101 N 1.04 5.78 0.47 3.58 1.04 -1.26 -1.02 113.70 123.33 1cm1 s SER 101 Ca 0.31 -0.32 0.12 0.00 0.48 0.00 0.00 55.95 56.54 1cm1 s SER 101 Cb -0.16 -0.96 1.08 0.00 0.10 0.00 0.00 66.02 66.09 1cm1 s SER 101 CO 0.12 -0.58 2.10 0.00 0.98 0.00 0.00 173.24 175.87 1cm1 h ALA 102 N 0.80 1.88 -0.45 5.32 0.00 -1.93 -1.67 119.26 123.21 1cm1 h ALA 102 Ca -0.43 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1cm1 h ALA 102 Cb 1.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1cm1 h ALA 102 CO 0.50 0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.83 1cm1 h ALA 103 N 1.88 0.60 -0.30 0.00 0.00 -1.98 -1.05 119.26 118.40 1cm1 h ALA 103 Ca 0.08 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1cm1 h ALA 103 Cb -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1cm1 h ALA 103 CO -0.02 0.42 -0.53 0.93 0.00 0.00 0.00 179.25 180.06 1cm1 h GLU 104 N 0.65 0.89 -0.58 0.00 5.08 -1.75 -2.04 114.58 116.83 1cm1 h GLU 104 Ca 0.12 -0.55 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1cm1 h GLU 104 Cb 0.54 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1cm1 h GLU 104 CO 0.03 1.19 0.20 1.25 -1.00 0.00 0.00 179.01 180.67 1cm1 h LEU 105 N 0.69 0.83 -1.20 1.33 5.85 -1.26 -1.45 115.31 120.09 1cm1 h LEU 105 Ca 0.02 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1cm1 h LEU 105 Cb 1.14 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1cm1 h LEU 105 CO 0.12 0.81 0.54 -0.09 -0.34 0.00 0.00 178.44 179.48 1cm1 h ARG 106 N 0.81 1.06 -0.55 1.25 2.43 -1.14 -1.85 114.38 116.38 1cm1 h ARG 106 Ca 0.19 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1cm1 h ARG 106 Cb 0.26 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1cm1 h ARG 106 CO -0.01 0.70 0.11 0.45 -1.51 0.00 0.00 179.97 179.71 1cm1 h HIS 107 N 1.09 0.96 -0.13 2.20 3.86 -0.76 -2.52 115.15 119.85 1cm1 h HIS 107 Ca 0.30 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 1cm1 h HIS 107 Cb -0.10 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 1cm1 h HIS 107 CO -0.00 0.84 -0.42 0.28 0.86 0.00 0.00 177.93 179.48 1cm1 h VAL 108 N 0.80 1.31 -0.16 2.45 2.07 -0.68 -2.22 116.25 119.82 1cm1 h VAL 108 Ca 0.17 -1.56 -0.16 0.00 0.82 0.00 0.00 66.70 65.97 1cm1 h VAL 108 Cb 0.38 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1cm1 h VAL 108 CO 0.01 0.47 -0.57 0.24 0.02 0.00 0.00 177.57 177.74 1cm1 h MET 109 N 0.24 0.50 -0.24 1.57 2.07 -1.27 -1.86 114.93 115.94 1cm1 h MET 109 Ca 0.02 -0.33 -0.16 0.00 -2.07 0.00 0.00 59.70 57.17 1cm1 h MET 109 Cb 0.85 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.62 1cm1 h MET 109 CO 0.07 0.93 -0.49 1.15 1.07 0.00 0.00 176.91 179.64 1cm1 h THR 110 N 0.38 1.30 -0.33 2.22 2.02 -1.36 -0.86 112.91 116.29 1cm1 h THR 110 Ca 0.00 -1.70 -0.09 0.00 0.77 0.00 0.00 66.41 65.39 1cm1 h THR 110 Cb 1.11 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1cm1 h THR 110 CO 0.10 0.54 -0.19 -1.13 0.37 0.00 0.00 175.52 175.22 1cm1 h ASN 111 N 0.52 0.60 0.00 4.18 -0.73 -1.30 -1.72 115.58 117.13 1cm1 h ASN 111 Ca 0.02 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.00 1cm1 h ASN 111 Cb 1.04 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.47 1cm1 h ASN 111 CO 0.10 0.80 0.00 0.18 -0.37 0.00 0.00 177.43 178.13 1cm1 n LEU 112 N -4.14 0.00 -0.64 0.34 4.77 -0.71 -4.92 117.00 111.70 1cm1 n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1cm1 n LEU 112 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1cm1 n LEU 112 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1cm1 n GLY 113 N 0.77 0.63 3.21 -0.72 0.00 -0.65 -4.96 105.19 103.48 1cm1 n GLY 113 Ca 0.19 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1cm1 n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cm1 s GLU 114 N -3.22 0.34 -0.25 1.61 -1.05 -0.37 -5.00 118.70 110.76 1cm1 s GLU 114 Ca 0.00 0.73 -0.24 0.00 -0.15 0.00 0.00 54.97 55.31 1cm1 s GLU 114 Cb 0.00 -0.04 -0.01 0.00 -0.44 0.00 0.00 34.13 33.65 1cm1 s GLU 114 CO 0.00 -0.17 0.81 0.21 0.95 0.00 0.00 175.26 177.07 1cm1 s LYS 115 N 1.43 4.15 0.06 -4.83 2.47 -1.26 -3.66 119.74 118.10 1cm1 s LYS 115 Ca -0.09 0.87 0.06 0.00 -1.56 0.00 0.00 55.97 55.25 1cm1 s LYS 115 Cb -0.09 -3.66 -0.03 0.00 -1.46 0.00 0.00 37.83 32.60 1cm1 s LYS 115 CO -0.12 -0.53 -0.16 -0.51 0.16 0.00 0.00 175.35 174.19 1cm1 s LEU 116 N 2.84 2.22 0.59 5.43 1.43 -1.26 -5.14 118.68 124.80 1cm1 s LEU 116 Ca 0.34 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 1cm1 s LEU 116 Cb -0.15 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1cm1 s LEU 116 CO 0.08 0.03 1.08 -0.89 0.23 0.00 0.00 176.35 176.89 1cm1 s THR 117 N -1.00 3.52 0.46 5.49 2.01 -1.26 -4.90 115.64 119.97 1cm1 s THR 117 Ca 0.03 0.78 0.16 0.00 0.31 0.00 0.00 61.69 62.96 1cm1 s THR 117 Cb -0.09 -3.29 0.21 0.00 0.01 0.00 0.00 72.50 69.35 1cm1 s THR 117 CO 0.02 -0.37 2.03 0.44 -0.69 0.00 0.00 174.62 176.05 1cm1 h ASP 118 N 0.56 0.00 -0.23 3.53 3.32 -2.01 -1.63 116.42 119.96 1cm1 h ASP 118 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 1cm1 h ASP 118 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1cm1 h ASP 118 CO 0.56 0.14 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.85 1cm1 h GLU 119 N 0.00 0.74 -0.54 3.56 4.57 -1.98 -1.20 114.58 119.73 1cm1 h GLU 119 Ca -0.00 -0.33 -0.11 0.00 -1.18 0.00 0.00 59.36 57.74 1cm1 h GLU 119 Cb 0.26 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1cm1 h GLU 119 CO 0.02 0.94 -0.09 0.93 -1.18 0.00 0.00 179.01 179.62 1cm1 h GLU 120 N 0.63 1.01 -0.35 1.92 5.08 -1.70 -0.25 114.58 120.92 1cm1 h GLU 120 Ca 0.07 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 1cm1 h GLU 120 Cb 0.82 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1cm1 h GLU 120 CO 0.07 1.05 -0.30 0.28 -1.00 0.00 0.00 179.01 179.11 1cm1 h VAL 121 N 0.90 1.28 0.00 3.13 2.07 -1.31 -1.09 116.25 121.23 1cm1 h VAL 121 Ca 0.14 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 1cm1 h VAL 121 Cb 0.65 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1cm1 h VAL 121 CO 0.05 0.47 -0.43 -0.78 0.02 0.00 0.00 177.57 176.90 1cm1 h ASP 122 N 0.65 0.00 0.46 0.57 3.58 -1.00 -1.16 116.42 119.52 1cm1 h ASP 122 Ca 0.07 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.30 1cm1 h ASP 122 Cb 0.83 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 1cm1 h ASP 122 CO 0.07 0.43 -0.97 -0.33 -2.88 0.00 0.00 179.24 175.56 1cm1 h GLU 123 N 0.00 0.32 -0.56 0.28 5.08 -0.74 -2.04 114.58 116.92 1cm1 h GLU 123 Ca -0.00 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1cm1 h GLU 123 Cb 0.77 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1cm1 h GLU 123 CO 0.06 1.08 0.10 0.52 -1.00 0.00 0.00 179.01 179.76 1cm1 h MET 124 N 0.17 0.92 -0.37 2.33 2.86 -0.80 -1.35 114.93 118.69 1cm1 h MET 124 Ca -0.08 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 1cm1 h MET 124 Cb 1.62 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 1cm1 h MET 124 CO 0.16 0.88 0.18 0.82 1.06 0.00 0.00 176.91 180.02 1cm1 h ILE 125 N 0.82 1.16 -0.38 -1.22 1.08 -1.23 -2.61 117.51 115.13 1cm1 h ILE 125 Ca 0.17 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1cm1 h ILE 125 Cb 0.40 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1cm1 h ILE 125 CO 0.01 0.17 0.25 0.03 -0.69 0.00 0.00 178.15 177.92 1cm1 h ARG 126 N 0.46 0.39 -0.51 2.37 3.08 -1.14 -0.43 114.38 118.61 1cm1 h ARG 126 Ca 0.13 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1cm1 h ARG 126 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1cm1 h ARG 126 CO -0.02 0.26 0.07 0.93 -1.07 0.00 0.00 179.97 180.14 1cm1 h GLU 127 N 0.41 0.85 0.00 0.04 4.39 -0.87 -3.26 114.58 116.14 1cm1 h GLU 127 Ca 0.15 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1cm1 h GLU 127 Cb 0.11 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1cm1 h GLU 127 CO -0.04 0.85 -0.61 0.00 -1.16 0.00 0.00 179.01 178.05 1cm1 h ALA 128 N 0.97 0.72 -1.69 3.43 0.00 -1.25 -3.45 119.26 117.98 1cm1 h ALA 128 Ca 0.15 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.38 1cm1 h ALA 128 Cb 0.42 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1cm1 h ALA 128 CO 0.01 0.14 1.12 0.34 0.00 0.00 0.00 179.25 180.86 1cm1 s ASP 129 N -5.83 6.15 -0.14 0.00 2.15 -0.22 -4.80 116.67 113.98 1cm1 s ASP 129 Ca 0.03 0.60 -0.21 0.00 0.43 0.00 0.00 52.55 53.40 1cm1 s ASP 129 Cb 0.08 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 39.97 1cm1 s ASP 129 CO 0.74 -1.63 0.47 0.40 -0.17 0.00 0.00 175.17 174.99 1cm1 h ILE 130 N 6.48 1.20 0.00 4.11 2.04 -1.88 -3.39 117.51 126.07 1cm1 h ILE 130 Ca -0.28 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1cm1 h ILE 130 Cb 1.11 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1cm1 h ILE 130 CO 1.13 0.41 0.00 -0.90 0.00 0.00 0.00 178.15 178.78 1cm1 n ASP 131 N -4.62 0.80 0.00 1.72 5.68 -1.26 -4.96 116.55 113.91 1cm1 n ASP 131 Ca -0.11 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 1cm1 n ASP 131 Cb 0.40 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1cm1 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm1 n GLY 132 N 1.14 0.78 0.00 6.12 0.00 -1.26 -4.98 105.19 106.98 1cm1 n GLY 132 Ca 0.05 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1cm1 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cm1 n ASP 133 N 0.24 0.00 0.00 1.61 5.68 -1.26 -4.90 116.55 117.92 1cm1 n ASP 133 Ca 0.00 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 1cm1 n ASP 133 Cb 0.00 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1cm1 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cm1 n GLY 134 N 1.20 0.78 3.26 6.12 0.00 -1.26 -5.05 105.19 110.24 1cm1 n GLY 134 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1cm1 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cm1 s GLN 135 N -0.58 1.29 -0.26 1.61 -0.21 -1.26 -4.67 119.66 115.58 1cm1 s GLN 135 Ca 0.00 -1.68 -0.00 0.00 0.02 0.00 0.00 55.36 53.69 1cm1 s GLN 135 Cb 0.00 -0.07 0.04 0.00 1.00 0.00 0.00 33.01 33.98 1cm1 s GLN 135 CO 0.00 -0.31 -0.06 0.08 -2.12 0.00 0.00 175.29 172.88 1cm1 s VAL 136 N -3.88 2.69 0.37 1.09 1.01 -0.19 -4.67 120.40 116.81 1cm1 s VAL 136 Ca 0.36 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1cm1 s VAL 136 Cb 0.07 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 34.07 1cm1 s VAL 136 CO 0.12 0.07 0.51 -0.46 0.00 0.00 0.00 175.10 175.33 1cm1 n ASN 137 N 4.59 0.27 -0.14 3.32 0.23 -1.26 -0.67 115.26 121.60 1cm1 n ASN 137 Ca -0.15 -1.32 -0.10 0.00 -0.53 0.00 0.00 54.58 52.47 1cm1 n ASN 137 Cb 0.45 -0.37 -0.01 0.00 -2.08 0.00 0.00 39.78 37.77 1cm1 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1cm1 h TYR 138 N -0.97 0.76 -0.15 -2.53 3.20 -2.00 -2.28 116.97 112.99 1cm1 h TYR 138 Ca -0.17 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.52 1cm1 h TYR 138 Cb 0.51 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1cm1 h TYR 138 CO 0.00 0.76 -0.17 0.93 -1.64 0.00 0.00 178.16 178.05 1cm1 h GLU 139 N 0.53 0.25 0.00 1.82 3.07 -1.94 -1.04 114.58 117.27 1cm1 h GLU 139 Ca 0.12 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 58.72 1cm1 h GLU 139 Cb 0.45 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1cm1 h GLU 139 CO 0.02 0.42 -0.85 0.93 -1.40 0.00 0.00 179.01 178.13 1cm1 h GLU 140 N 0.24 0.13 -0.40 2.33 5.08 -1.87 -2.31 114.58 117.77 1cm1 h GLU 140 Ca 0.05 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1cm1 h GLU 140 Cb 0.44 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1cm1 h GLU 140 CO 0.03 0.90 0.01 0.35 -1.00 0.00 0.00 179.01 179.29 1cm1 h PHE 141 N 0.07 0.77 0.19 4.33 3.57 -0.78 -2.19 116.94 122.89 1cm1 h PHE 141 Ca -0.03 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1cm1 h PHE 141 Cb 1.47 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1cm1 h PHE 141 CO 0.02 0.78 -0.09 0.28 -2.23 0.00 0.00 178.31 177.07 1cm1 h VAL 142 N 0.54 0.89 -0.80 1.41 2.07 -1.22 -2.88 116.25 116.26 1cm1 h VAL 142 Ca 0.11 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.33 1cm1 h VAL 142 Cb 0.46 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1cm1 h VAL 142 CO 0.02 0.09 0.52 1.56 0.02 0.00 0.00 177.57 179.78 1cm1 h GLN 143 N -0.44 0.76 -0.46 1.57 1.08 -1.42 0.21 115.11 116.41 1cm1 h GLN 143 Ca -0.03 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1cm1 h GLN 143 Cb 0.34 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1cm1 h GLN 143 CO 0.04 0.50 0.30 0.52 -0.95 0.00 0.00 178.83 179.25 1cm1 h MET 144 N 0.78 0.58 0.00 1.46 2.86 -1.29 -2.80 114.93 116.53 1cm1 h MET 144 Ca 0.36 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1cm1 h MET 144 Cb 0.37 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1cm1 h MET 144 CO -0.14 0.39 -1.58 -1.33 1.06 0.00 0.00 176.91 175.31 1cm1 n MET 145 N -4.47 0.61 0.00 1.72 2.81 -0.30 -5.11 117.12 112.38 1cm1 n MET 145 Ca 0.04 -0.07 0.01 0.00 -1.81 0.00 0.00 57.70 55.86 1cm1 n MET 145 Cb 0.07 -1.63 0.01 0.00 -0.71 0.00 0.00 33.22 30.96 1cm1 n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73