#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k32 s VAL 2 N 0.00 4.71 -0.48 2.53 1.01 0.10 -4.94 120.40 123.33 2k32 s VAL 2 Ca 0.00 0.83 0.03 0.00 0.00 0.00 0.00 61.98 62.85 2k32 s VAL 2 Cb 0.00 -3.66 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2k32 s VAL 2 CO 0.00 -0.34 0.22 -0.63 0.00 0.00 0.00 175.10 174.35 2k32 s ILE 3 N -2.17 2.60 0.59 2.22 1.09 -1.26 -1.19 121.20 123.08 2k32 s ILE 3 Ca 0.53 -3.06 -0.19 0.00 -1.10 0.00 0.00 60.65 56.83 2k32 s ILE 3 Cb -0.10 -2.82 -0.04 0.00 -1.06 0.00 0.00 42.46 38.44 2k32 s ILE 3 CO 0.23 -0.76 1.21 -0.51 -0.10 0.00 0.00 174.94 175.01 2k32 s ILE 4 N 0.01 2.64 0.04 2.92 -1.16 0.47 -4.91 121.20 121.21 2k32 s ILE 4 Ca 0.15 0.40 -0.06 0.00 -0.51 0.00 0.00 60.65 60.64 2k32 s ILE 4 Cb -0.24 -3.16 -0.01 0.00 0.61 0.00 0.00 42.46 39.66 2k32 s ILE 4 CO -0.02 -0.09 0.10 -0.54 -2.81 0.00 0.00 174.94 171.59 2k32 s LYS 5 N -3.33 0.59 0.49 3.50 1.02 -1.26 -2.09 119.74 118.65 2k32 s LYS 5 Ca 0.77 -0.72 -0.17 0.00 0.02 0.00 0.00 55.97 55.88 2k32 s LYS 5 Cb -0.30 0.23 -0.08 0.00 -0.52 0.00 0.00 37.83 37.16 2k32 s LYS 5 CO 0.33 -0.15 0.96 -1.25 -0.92 0.00 0.00 175.35 174.32 2k32 s PRO 6 N -2.50 3.98 0.13 -1.68 0.04 -1.26 -4.96 135.00 128.75 2k32 s PRO 6 Ca -0.06 0.93 0.27 0.00 0.04 0.00 0.00 61.00 62.18 2k32 s PRO 6 Cb -0.02 -2.17 0.97 0.00 0.04 0.00 0.00 34.50 33.32 2k32 s PRO 6 CO -0.04 -0.21 1.82 0.00 0.04 0.00 0.00 177.00 178.61 2k32 n GLN 7 N -1.39 0.16 -4.12 4.56 10.64 -1.26 -4.40 117.38 121.56 2k32 n GLN 7 Ca 0.06 0.15 -0.11 0.00 -1.83 0.00 0.00 57.00 55.28 2k32 n GLN 7 Cb 0.54 -1.69 -0.09 0.00 -0.86 0.00 0.00 30.24 28.14 2k32 n GLN 7 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2k32 s VAL 8 N -3.07 0.05 0.38 -0.39 -7.23 -1.26 -4.93 120.40 103.94 2k32 s VAL 8 Ca 0.11 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2k32 s VAL 8 Cb 0.14 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 2k32 s VAL 8 CO 0.55 -0.21 0.56 -0.94 -0.31 0.00 0.00 175.10 174.76 2k32 s SER 9 N -3.08 5.98 0.00 4.85 1.04 -1.26 -3.85 113.70 117.38 2k32 s SER 9 Ca 0.29 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2k32 s SER 9 Cb 0.06 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.64 2k32 s SER 9 CO 0.06 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2k32 n GLY 10 N -1.84 0.52 3.18 7.32 0.00 0.12 -4.29 105.19 110.19 2k32 n GLY 10 Ca -0.01 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2k32 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k32 s VAL 11 N -1.55 0.04 0.50 1.61 1.01 -0.99 -0.59 120.40 120.42 2k32 s VAL 11 Ca 0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 2k32 s VAL 11 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 2k32 s VAL 11 CO 0.00 -0.16 1.34 -0.63 0.00 0.00 0.00 175.10 175.65 2k32 s ILE 12 N -0.63 2.28 0.00 2.22 -1.09 -1.05 -0.81 121.20 122.10 2k32 s ILE 12 Ca -0.07 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 2k32 s ILE 12 Cb -0.04 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2k32 s ILE 12 CO 0.02 0.01 0.00 0.52 -1.23 0.00 0.00 174.94 174.26 2k32 n VAL 13 N -0.63 0.00 -3.73 2.92 0.31 0.63 -2.23 118.33 115.61 2k32 n VAL 13 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.31 2k32 n VAL 13 Cb 0.44 -0.54 -0.06 0.00 -0.91 0.00 0.00 33.84 32.77 2k32 n VAL 13 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k32 s ASN 14 N -2.69 -0.09 -0.42 4.52 3.84 -1.22 -4.90 114.94 113.98 2k32 s ASN 14 Ca 0.00 -0.46 0.02 0.00 0.21 0.00 0.00 52.86 52.63 2k32 s ASN 14 Cb 0.00 0.42 0.13 0.00 -0.55 0.00 0.00 41.25 41.25 2k32 s ASN 14 CO 0.00 -0.81 0.20 -0.54 -2.79 0.00 0.00 177.10 173.16 2k32 s LYS 15 N -3.83 1.33 -0.01 0.43 -0.14 -1.26 -2.29 119.74 113.96 2k32 s LYS 15 Ca 0.04 -1.94 -0.25 0.00 -1.36 0.00 0.00 55.97 52.46 2k32 s LYS 15 Cb 0.03 -2.53 -0.19 0.00 -1.68 0.00 0.00 37.83 33.46 2k32 s LYS 15 CO -0.11 -1.10 1.27 -0.07 -0.76 0.00 0.00 175.35 174.57 2k32 h LEU 16 N 7.00 0.09 0.00 3.17 -0.00 -1.25 -3.45 115.31 120.87 2k32 h LEU 16 Ca -0.05 -0.51 -0.37 0.00 -0.00 0.00 0.00 57.88 56.96 2k32 h LEU 16 Cb 0.94 -0.03 0.17 0.00 -0.00 0.00 0.00 40.66 41.75 2k32 h LEU 16 CO 0.52 0.58 0.17 2.22 -0.00 0.00 0.00 178.44 181.93 2k32 n PHE 17 N -4.77 -3.86 -4.06 1.13 -1.74 -1.15 -4.97 117.46 98.05 2k32 n PHE 17 Ca -0.08 -0.93 -0.15 0.00 -0.56 0.00 0.00 57.45 55.73 2k32 n PHE 17 Cb 0.29 -1.01 -0.15 0.00 1.52 0.00 0.00 39.48 40.14 2k32 n PHE 17 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2k32 s LYS 18 N -5.33 0.30 -0.53 3.97 -0.14 -1.26 -5.08 119.74 111.67 2k32 s LYS 18 Ca 0.65 -0.11 -0.28 0.00 -1.36 0.00 0.00 55.97 54.87 2k32 s LYS 18 Cb -0.05 -0.31 -0.10 0.00 -1.68 0.00 0.00 37.83 35.68 2k32 s LYS 18 CO 0.49 0.05 2.42 0.00 -0.76 0.00 0.00 175.35 177.55 2k32 n ALA 19 N 3.13 0.86 0.00 5.17 0.00 -1.26 -1.73 120.51 126.68 2k32 n ALA 19 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2k32 n ALA 19 Cb 0.58 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.10 2k32 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k32 n GLY 20 N 6.14 0.37 0.00 0.00 0.00 -0.99 -4.79 105.19 105.91 2k32 n GLY 20 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2k32 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k32 n ASP 21 N 0.00 0.00 -4.44 1.61 2.03 -0.70 -4.69 116.55 110.36 2k32 n ASP 21 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 2k32 n ASP 21 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2k32 n ASP 21 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k32 s LYS 22 N 0.00 1.59 -0.01 -0.67 -0.14 -1.26 -2.29 119.74 116.96 2k32 s LYS 22 Ca 0.00 -1.76 0.01 0.00 -1.36 0.00 0.00 55.97 52.86 2k32 s LYS 22 Cb 0.00 -1.47 0.01 0.00 -1.68 0.00 0.00 37.83 34.68 2k32 s LYS 22 CO 0.00 0.20 -0.01 0.14 -0.76 0.00 0.00 175.35 174.92 2k32 s VAL 23 N -2.74 0.14 0.57 3.17 -7.23 -0.25 -4.86 120.40 109.19 2k32 s VAL 23 Ca 0.28 -0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.28 2k32 s VAL 23 Cb -0.01 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.72 2k32 s VAL 23 CO 0.13 0.07 1.02 -0.75 -0.31 0.00 0.00 175.10 175.26 2k32 s LYS 24 N 0.29 3.59 0.00 4.82 2.47 -1.26 -1.50 119.74 128.14 2k32 s LYS 24 Ca -0.03 1.05 -0.24 0.00 -1.56 0.00 0.00 55.97 55.20 2k32 s LYS 24 Cb -0.05 -2.08 -0.29 0.00 -1.46 0.00 0.00 37.83 33.95 2k32 s LYS 24 CO -0.01 -0.58 1.37 1.17 0.16 0.00 0.00 175.35 177.46 2k32 n LYS 25 N -1.95 0.00 0.00 4.03 3.00 -1.26 -1.63 118.16 120.35 2k32 n LYS 25 Ca 0.08 -0.80 0.00 0.00 -0.00 0.00 0.00 58.31 57.58 2k32 n LYS 25 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 35.03 33.34 2k32 n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k32 n GLY 26 N 4.68 1.76 3.64 3.14 0.00 -1.25 -4.81 105.19 112.34 2k32 n GLY 26 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 2k32 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k32 n GLN 27 N -0.23 1.26 -2.32 1.61 10.64 -0.65 -4.38 117.38 123.32 2k32 n GLN 27 Ca 0.00 0.46 -0.41 0.00 -1.83 0.00 0.00 57.00 55.23 2k32 n GLN 27 Cb 0.00 -2.20 -0.03 0.00 -0.86 0.00 0.00 30.24 27.14 2k32 n GLN 27 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2k32 s THR 28 N -1.38 3.29 0.00 -0.39 2.01 -1.26 -0.94 115.64 116.97 2k32 s THR 28 Ca 0.69 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.87 2k32 s THR 28 Cb -0.47 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2k32 s THR 28 CO 0.52 0.23 0.00 0.18 -0.69 0.00 0.00 174.62 174.86 2k32 n LEU 29 N 1.79 1.60 -4.15 4.42 4.77 0.80 -4.06 117.00 122.17 2k32 n LEU 29 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 2k32 n LEU 29 Cb 0.44 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 2k32 n LEU 29 CO 0.56 0.26 -0.18 -0.36 -1.33 0.00 0.00 177.39 176.35 2k32 s PHE 30 N -1.99 0.94 0.02 -1.77 0.40 -0.99 -0.82 117.98 113.77 2k32 s PHE 30 Ca 0.00 -1.22 0.04 0.00 -0.60 0.00 0.00 56.93 55.15 2k32 s PHE 30 Cb 0.00 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 43.10 2k32 s PHE 30 CO 0.00 -0.67 -0.12 0.42 0.70 0.00 0.00 175.22 175.55 2k32 s ILE 31 N -4.11 0.97 0.14 0.64 1.01 -0.97 -0.89 121.20 117.99 2k32 s ILE 31 Ca 0.32 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.27 2k32 s ILE 31 Cb 0.06 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 2k32 s ILE 31 CO 0.09 0.08 -0.17 -0.63 0.00 0.00 0.00 174.94 174.31 2k32 s ILE 32 N -0.63 1.57 -0.29 2.92 1.01 0.34 -0.27 121.20 125.86 2k32 s ILE 32 Ca 0.02 -1.76 -0.02 0.00 0.00 0.00 0.00 60.65 58.88 2k32 s ILE 32 Cb -0.06 -1.65 0.04 0.00 0.01 0.00 0.00 42.46 40.80 2k32 s ILE 32 CO 0.00 -0.32 -0.01 -0.70 0.00 0.00 0.00 174.94 173.91 2k32 s GLU 33 N -2.59 2.61 0.50 2.79 2.12 0.01 -1.08 118.70 123.05 2k32 s GLU 33 Ca 0.11 -1.14 0.31 0.00 0.36 0.00 0.00 54.97 54.61 2k32 s GLU 33 Cb -0.06 -3.14 1.18 0.00 0.26 0.00 0.00 34.13 32.36 2k32 s GLU 33 CO 0.05 -0.54 1.90 1.96 -0.54 0.00 0.00 175.26 178.09 2k32 h GLN 34 N 8.03 0.00 0.00 4.30 4.20 -1.42 -2.63 115.11 127.59 2k32 h GLN 34 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2k32 h GLN 34 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2k32 h GLN 34 CO 0.55 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 175.24 2k32 n ASP 35 N -2.97 0.00 -0.76 1.46 2.03 -1.26 -4.14 116.55 110.91 2k32 n ASP 35 Ca 0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 2k32 n ASP 35 Cb 0.33 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 2k32 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k32 n GLN 36 N 0.00 0.00 0.01 -0.67 10.64 -1.26 -4.73 117.38 121.36 2k32 n GLN 36 Ca 0.00 -0.64 0.03 0.00 -1.83 0.00 0.00 57.00 54.56 2k32 n GLN 36 Cb 0.00 0.10 0.40 0.00 -0.86 0.00 0.00 30.24 29.88 2k32 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k32 h ALA 37 N 0.09 1.63 0.00 2.61 0.00 -1.97 -2.97 119.26 118.66 2k32 h ALA 37 Ca -0.21 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.37 2k32 h ALA 37 Cb 1.27 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2k32 h ALA 37 CO -0.08 0.31 -2.11 0.43 0.00 0.00 0.00 179.25 177.80 2k32 n SER 38 N -4.43 0.21 0.19 0.00 7.64 -1.26 -4.13 113.62 111.85 2k32 n SER 38 Ca 0.03 0.10 0.14 0.00 1.01 0.00 0.00 58.87 60.14 2k32 n SER 38 Cb 0.11 0.96 0.63 0.00 -1.01 0.00 0.00 64.21 64.90 2k32 n SER 38 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k32 h LYS 39 N 0.00 0.00 0.05 1.43 3.64 -1.83 -0.41 116.57 119.45 2k32 h LYS 39 Ca -0.36 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.65 2k32 h LYS 39 Cb 1.89 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.67 2k32 h LYS 39 CO 0.03 0.00 -2.17 -3.47 -2.27 0.00 0.00 179.45 171.58 2k32 n ASP 40 N -2.49 1.64 0.06 4.20 2.03 -1.13 -4.53 116.55 116.33 2k32 n ASP 40 Ca 0.00 0.10 0.01 0.00 0.52 0.00 0.00 54.79 55.42 2k32 n ASP 40 Cb 0.17 -0.37 0.34 0.00 -0.72 0.00 0.00 41.12 40.54 2k32 n ASP 40 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2k32 h PHE 41 N 0.03 0.39 -0.00 -0.67 3.04 -1.52 -3.08 116.94 115.14 2k32 h PHE 41 Ca -0.47 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.43 2k32 h PHE 41 Cb 2.01 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 40.41 2k32 h PHE 41 CO 0.04 0.46 -0.05 0.27 -2.02 0.00 0.00 178.31 177.01 2k32 n ASN 42 N -4.26 0.07 -0.27 0.41 6.94 -0.24 -4.53 115.26 113.38 2k32 n ASN 42 Ca 0.00 0.23 0.01 0.00 -0.02 0.00 0.00 54.58 54.81 2k32 n ASN 42 Cb 0.27 -0.36 0.14 0.00 -2.36 0.00 0.00 39.78 37.47 2k32 n ASN 42 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2k32 h ARG 43 N 0.03 0.70 0.00 -3.83 3.08 -1.77 -0.35 114.38 112.25 2k32 h ARG 43 Ca 0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2k32 h ARG 43 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2k32 h ARG 43 CO 0.00 0.46 -0.53 0.77 -1.07 0.00 0.00 179.97 179.61 2k32 h SER 44 N 0.72 0.00 1.09 7.04 0.02 -1.85 -3.32 113.55 117.26 2k32 h SER 44 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2k32 h SER 44 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2k32 h SER 44 CO -0.24 0.50 0.00 0.11 -1.14 0.00 0.00 176.83 176.07 2k32 h LYS 45 N 0.00 0.00 0.00 3.45 1.57 -1.35 -3.19 116.57 117.06 2k32 h LYS 45 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k32 h LYS 45 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2k32 h LYS 45 CO 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 2k32 n ALA 46 N -1.84 1.42 -0.44 3.86 0.00 -0.84 -4.12 120.51 118.55 2k32 n ALA 46 Ca 0.03 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2k32 n ALA 46 Cb 0.32 -1.10 0.28 0.00 0.00 0.00 0.00 19.45 18.95 2k32 n ALA 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k32 s LEU 47 N -2.72 -0.58 0.12 0.00 1.43 -1.21 -4.79 118.68 110.93 2k32 s LEU 47 Ca 0.05 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2k32 s LEU 47 Cb 0.04 -2.57 0.30 0.00 0.03 0.00 0.00 46.19 43.99 2k32 s LEU 47 CO 0.10 -5.06 0.61 0.49 0.23 0.00 0.00 176.35 172.73 2k32 n PHE 48 N -5.44 0.25 0.26 0.29 3.72 -1.26 -1.39 117.46 113.89 2k32 n PHE 48 Ca 0.10 0.47 0.05 0.00 -0.05 0.00 0.00 57.45 58.02 2k32 n PHE 48 Cb 0.59 -0.79 0.24 0.00 -0.94 0.00 0.00 39.48 38.57 2k32 n PHE 48 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k32 n SER 49 N -4.38 0.13 0.15 4.37 7.64 -1.26 -3.28 113.62 116.99 2k32 n SER 49 Ca 0.09 0.54 0.08 0.00 1.01 0.00 0.00 58.87 60.59 2k32 n SER 49 Cb 0.30 -0.57 0.42 0.00 -1.01 0.00 0.00 64.21 63.35 2k32 n SER 49 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2k32 n GLN 50 N -1.66 0.10 0.04 1.43 7.27 -0.48 -2.54 117.38 121.55 2k32 n GLN 50 Ca 0.02 0.58 0.20 0.00 0.07 0.00 0.00 57.00 57.86 2k32 n GLN 50 Cb 0.10 -2.00 0.72 0.00 2.41 0.00 0.00 30.24 31.47 2k32 n GLN 50 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2k32 h SER 51 N 0.00 0.00 1.98 1.69 0.02 -1.83 0.40 113.55 115.80 2k32 h SER 51 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k32 h SER 51 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k32 h SER 51 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2k32 h ALA 52 N 1.71 1.00 -3.41 3.77 0.00 -1.83 -3.50 119.26 117.00 2k32 h ALA 52 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k32 h ALA 52 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k32 h ALA 52 CO -0.00 0.00 -0.52 -0.89 0.00 0.00 0.00 179.25 177.83 2k32 n ILE 53 N -3.10 -8.11 -1.19 0.00 5.41 0.13 -5.01 119.36 107.48 2k32 n ILE 53 Ca 0.04 1.70 -0.34 0.00 1.00 0.00 0.00 62.75 65.15 2k32 n ILE 53 Cb 0.53 -4.63 0.12 0.00 -0.71 0.00 0.00 39.64 34.95 2k32 n ILE 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2k32 s SER 54 N -0.32 3.71 0.00 4.38 0.01 -1.26 -4.47 113.70 115.75 2k32 s SER 54 Ca 0.00 2.38 0.03 0.00 1.31 0.00 0.00 55.95 59.67 2k32 s SER 54 Cb 0.00 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.77 2k32 s SER 54 CO 0.00 -2.59 0.95 0.00 0.41 0.00 0.00 173.24 172.01 2k32 n GLN 55 N -3.15 0.03 0.00 12.44 6.02 -1.26 -1.00 117.38 130.46 2k32 n GLN 55 Ca 0.14 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2k32 n GLN 55 Cb 0.50 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.26 2k32 n GLN 55 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k32 n LYS 56 N -1.34 1.71 -0.06 -1.09 5.02 -1.26 -4.72 118.16 116.42 2k32 n LYS 56 Ca 0.01 -1.10 -0.11 0.00 -2.02 0.00 0.00 58.31 55.10 2k32 n LYS 56 Cb 0.02 -0.88 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 2k32 n LYS 56 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k32 n GLU 57 N -0.31 0.28 0.30 1.97 1.02 -0.17 -4.80 120.64 118.93 2k32 n GLU 57 Ca 0.00 0.09 0.16 0.00 -0.02 0.00 0.00 57.16 57.40 2k32 n GLU 57 Cb 0.26 -1.10 0.93 0.00 -0.02 0.00 0.00 31.44 31.51 2k32 n GLU 57 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2k32 h TYR 58 N -0.22 0.00 0.00 -0.32 -0.00 -1.30 -1.76 116.97 113.37 2k32 h TYR 58 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2k32 h TYR 58 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.08 2k32 h TYR 58 CO -0.01 0.03 0.00 -0.40 -0.00 0.00 0.00 178.16 177.78 2k32 n ASP 59 N -3.59 0.13 0.32 0.10 5.75 -1.26 -2.34 116.55 115.66 2k32 n ASP 59 Ca -0.03 0.54 0.20 0.00 -0.01 0.00 0.00 54.79 55.49 2k32 n ASP 59 Cb 0.13 -0.57 1.06 0.00 -1.03 0.00 0.00 41.12 40.72 2k32 n ASP 59 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2k32 h SER 60 N 0.00 0.00 1.60 -1.12 4.64 -1.56 0.67 113.55 117.77 2k32 h SER 60 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k32 h SER 60 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2k32 h SER 60 CO 0.00 0.01 -0.26 0.28 -0.87 0.00 0.00 176.83 175.99 2k32 h SER 61 N 0.00 0.00 0.00 4.97 0.02 -1.71 -3.38 113.55 113.45 2k32 h SER 61 Ca -0.00 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.64 2k32 h SER 61 Cb 0.07 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 2k32 h SER 61 CO 0.00 0.01 -2.18 0.18 -1.14 0.00 0.00 176.83 173.70 2k32 n LEU 62 N -2.77 0.00 -4.13 5.07 4.77 -0.30 -5.07 117.00 114.57 2k32 n LEU 62 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2k32 n LEU 62 Cb 0.51 0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.92 2k32 n LEU 62 CO 0.35 0.39 0.01 0.00 -1.33 0.00 0.00 177.39 176.81 2k32 s ALA 63 N -2.53 0.81 0.81 -1.18 0.00 0.07 -5.12 121.76 114.63 2k32 s ALA 63 Ca -0.09 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 2k32 s ALA 63 Cb 0.06 1.25 0.04 0.00 0.00 0.00 0.00 23.12 24.47 2k32 s ALA 63 CO 0.74 -0.73 0.28 2.41 0.00 0.00 0.00 175.76 178.45 2k32 n THR 64 N -0.45 0.00 -0.67 0.00 -1.04 -1.26 -4.57 114.28 106.29 2k32 n THR 64 Ca 0.02 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 2k32 n THR 64 Cb 0.63 -1.67 -0.06 0.00 -1.82 0.00 0.00 70.33 67.40 2k32 n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k32 n LEU 65 N 0.00 4.02 -3.06 -4.42 4.77 -1.26 -4.35 117.00 112.70 2k32 n LEU 65 Ca 0.04 -2.48 -0.22 0.00 -0.03 0.00 0.00 56.01 53.31 2k32 n LEU 65 Cb 0.13 -0.96 0.04 0.00 -2.33 0.00 0.00 43.42 40.30 2k32 n LEU 65 CO 0.09 0.75 0.05 -0.67 -1.33 0.00 0.00 177.39 176.28 2k32 n ASP 66 N 3.37 -6.12 -4.80 -1.43 -0.08 -1.26 -4.43 116.55 101.80 2k32 n ASP 66 Ca 0.35 -0.33 -0.35 0.00 -1.51 0.00 0.00 54.79 52.95 2k32 n ASP 66 Cb 0.35 -4.89 -0.07 0.00 2.34 0.00 0.00 41.12 38.86 2k32 n ASP 66 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2k32 s HIS 67 N -3.20 3.47 -0.01 -0.67 3.76 -1.26 -1.41 115.29 115.97 2k32 s HIS 67 Ca 0.35 1.68 -0.01 0.00 -0.15 0.00 0.00 55.06 56.94 2k32 s HIS 67 Cb -0.16 -2.88 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2k32 s HIS 67 CO 0.44 0.02 0.02 0.99 -0.85 0.00 0.00 174.74 175.36 2k32 s THR 68 N -1.94 -0.00 0.24 1.30 2.01 -0.24 -4.96 115.64 112.06 2k32 s THR 68 Ca 0.57 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.57 2k32 s THR 68 Cb -0.13 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2k32 s THR 68 CO 0.18 0.01 0.45 -1.61 -0.69 0.00 0.00 174.62 172.96 2k32 s GLU 69 N 0.08 3.55 -0.04 4.92 2.02 -1.26 -0.51 118.70 127.47 2k32 s GLU 69 Ca -0.01 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.77 2k32 s GLU 69 Cb -0.01 -2.77 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 2k32 s GLU 69 CO -0.00 0.32 -0.15 0.42 0.02 0.00 0.00 175.26 175.87 2k32 s ILE 70 N -1.98 1.24 0.07 -1.63 1.09 -0.07 -4.79 121.20 115.13 2k32 s ILE 70 Ca 0.40 -0.62 0.03 0.00 -1.10 0.00 0.00 60.65 59.37 2k32 s ILE 70 Cb -0.11 -1.07 -0.03 0.00 -1.06 0.00 0.00 42.46 40.20 2k32 s ILE 70 CO 0.30 0.36 -0.10 -0.54 -0.10 0.00 0.00 174.94 174.86 2k32 s LYS 71 N 0.05 0.70 0.79 2.79 1.02 -1.26 -0.14 119.74 123.69 2k32 s LYS 71 Ca -0.03 -0.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.89 2k32 s LYS 71 Cb -0.10 -0.50 0.07 0.00 -0.52 0.00 0.00 37.83 36.78 2k32 s LYS 71 CO 0.01 0.09 1.20 0.00 -0.92 0.00 0.00 175.35 175.73 2k32 s ALA 72 N -1.72 1.91 0.05 5.17 0.00 -0.12 -4.90 121.76 122.16 2k32 s ALA 72 Ca -0.03 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 2k32 s ALA 72 Cb -0.08 -3.48 -0.31 0.00 0.00 0.00 0.00 23.12 19.26 2k32 s ALA 72 CO 0.01 -2.18 1.07 -1.00 0.00 0.00 0.00 175.76 173.66 2k32 h PRO 73 N -0.78 0.61 -3.08 0.00 0.13 -1.92 -3.32 132.00 123.63 2k32 h PRO 73 Ca -0.46 -0.87 0.02 0.00 -0.87 0.00 0.00 66.00 63.82 2k32 h PRO 73 Cb 1.29 0.30 -0.08 0.00 0.13 0.00 0.00 31.00 32.64 2k32 h PRO 73 CO 0.47 1.40 0.17 -0.59 -0.23 0.00 0.00 178.00 179.23 2k32 s PHE 74 N -2.87 -0.27 0.28 1.56 -0.12 -1.26 -4.39 117.98 110.91 2k32 s PHE 74 Ca -0.09 -0.08 -0.30 0.00 -0.05 0.00 0.00 56.93 56.41 2k32 s PHE 74 Cb 0.05 0.58 -0.11 0.00 -0.63 0.00 0.00 43.02 42.91 2k32 s PHE 74 CO 0.94 -1.04 1.62 0.16 -0.05 0.00 0.00 175.22 176.84 2k32 s ASP 75 N -2.86 6.36 0.00 1.98 -4.77 -1.26 -4.41 116.67 111.71 2k32 s ASP 75 Ca 0.08 2.95 0.00 0.00 -3.30 0.00 0.00 52.55 52.28 2k32 s ASP 75 Cb -0.03 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2k32 s ASP 75 CO -0.01 -0.93 0.00 0.61 0.70 0.00 0.00 175.17 175.53 2k32 n GLY 76 N 2.39 -0.45 3.76 2.12 0.00 -0.56 -4.38 105.19 108.06 2k32 n GLY 76 Ca 0.09 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 2k32 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k32 s THR 77 N -4.00 3.97 -0.02 2.61 2.01 0.55 -1.10 115.64 119.67 2k32 s THR 77 Ca 0.00 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.41 2k32 s THR 77 Cb 0.00 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.35 2k32 s THR 77 CO 0.00 -0.34 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.05 2k32 s ILE 78 N -2.23 0.31 0.09 1.82 2.07 -0.97 -0.38 121.20 121.91 2k32 s ILE 78 Ca 0.33 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.48 2k32 s ILE 78 Cb -0.07 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.22 2k32 s ILE 78 CO 0.23 0.13 0.11 0.61 -1.91 0.00 0.00 174.94 174.12 2k32 n GLY 79 N 3.55 -1.49 3.72 1.50 0.00 -0.35 -2.35 105.19 109.76 2k32 n GLY 79 Ca -0.20 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2k32 n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k32 s ASP 80 N -1.52 6.53 0.61 1.61 -4.77 -1.26 -2.34 116.67 115.53 2k32 s ASP 80 Ca 0.07 2.68 -0.18 0.00 -3.30 0.00 0.00 52.55 51.81 2k32 s ASP 80 Cb -0.00 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.19 2k32 s ASP 80 CO 0.05 -0.87 0.98 0.00 0.70 0.00 0.00 175.17 176.02 2k32 n ALA 81 N 4.12 0.21 0.03 2.11 0.00 -1.26 -4.57 120.51 121.14 2k32 n ALA 81 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.59 2k32 n ALA 81 Cb 0.38 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.71 2k32 n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k32 n LEU 82 N -0.89 1.28 -3.89 0.00 4.77 0.25 -4.96 117.00 113.55 2k32 n LEU 82 Ca 0.14 -1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 54.85 2k32 n LEU 82 Cb 0.48 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2k32 n LEU 82 CO 0.49 0.31 -0.15 0.68 -1.33 0.00 0.00 177.39 177.39 2k32 s VAL 83 N -0.26 0.14 0.18 4.08 -7.23 -1.24 -4.92 120.40 111.15 2k32 s VAL 83 Ca 0.01 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2k32 s VAL 83 Cb 0.01 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 2k32 s VAL 83 CO 0.01 -0.64 0.14 0.20 -0.31 0.00 0.00 175.10 174.50 2k32 s ASN 84 N -2.53 0.17 -0.43 4.85 0.01 -1.26 -5.05 114.94 110.71 2k32 s ASN 84 Ca 0.01 -1.30 -0.26 0.00 -0.71 0.00 0.00 52.86 50.59 2k32 s ASN 84 Cb 0.03 0.37 -0.07 0.00 0.41 0.00 0.00 41.25 41.99 2k32 s ASN 84 CO -0.08 -0.83 2.38 -0.63 -1.51 0.00 0.00 177.10 176.43 2k32 s ILE 85 N -4.12 3.00 0.00 0.60 1.09 -1.26 -0.61 121.20 119.90 2k32 s ILE 85 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.89 2k32 s ILE 85 Cb 0.07 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 2k32 s ILE 85 CO 0.09 -0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 2k32 n GLY 86 N 5.96 1.77 3.69 6.18 0.00 -0.94 -4.98 105.19 116.87 2k32 n GLY 86 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2k32 n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k32 s ASP 87 N -1.95 6.63 -0.43 1.61 1.01 0.22 -4.85 116.67 118.91 2k32 s ASP 87 Ca 0.00 2.47 -0.28 0.00 0.71 0.00 0.00 52.55 55.45 2k32 s ASP 87 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2k32 s ASP 87 CO 0.00 -0.86 1.70 -0.47 0.21 0.00 0.00 175.17 175.76 2k32 s TYR 88 N 2.38 1.93 0.09 4.23 6.14 -1.26 -2.54 117.35 128.31 2k32 s TYR 88 Ca 0.72 0.66 0.05 0.00 0.64 0.00 0.00 57.07 59.14 2k32 s TYR 88 Cb -0.39 -4.18 -0.04 0.00 0.42 0.00 0.00 41.96 37.77 2k32 s TYR 88 CO 0.32 -2.52 -0.01 0.14 0.64 0.00 0.00 175.55 174.11 2k32 s VAL 89 N 7.04 3.94 0.03 3.14 -7.23 0.24 -4.96 120.40 122.59 2k32 s VAL 89 Ca 0.71 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2k32 s VAL 89 Cb -0.17 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2k32 s VAL 89 CO 0.30 0.12 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.60 2k32 s SER 90 N -2.29 0.57 0.61 4.85 0.15 -1.26 -0.71 113.70 115.63 2k32 s SER 90 Ca 0.25 -0.44 0.30 0.00 0.70 0.00 0.00 55.95 56.77 2k32 s SER 90 Cb -0.12 0.04 1.65 0.00 -1.71 0.00 0.00 66.02 65.89 2k32 s SER 90 CO 0.18 -0.18 2.02 0.00 1.20 0.00 0.00 173.24 176.45 2k32 h ALA 91 N 4.86 1.74 0.00 5.45 0.00 -1.77 -1.99 119.26 127.56 2k32 h ALA 91 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k32 h ALA 91 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k32 h ALA 91 CO 0.43 -0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 2k32 n SER 92 N -3.51 0.36 0.01 0.00 3.41 -1.26 -4.25 113.62 108.38 2k32 n SER 92 Ca 0.02 -0.99 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 2k32 n SER 92 Cb 0.42 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2k32 n SER 92 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2k32 n THR 93 N -0.00 0.10 -3.66 6.66 -1.04 -0.76 -4.87 114.28 110.71 2k32 n THR 93 Ca 0.00 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 2k32 n THR 93 Cb 0.16 0.36 -0.15 0.00 -1.82 0.00 0.00 70.33 68.87 2k32 n THR 93 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2k32 s THR 94 N -3.19 -0.26 -0.28 12.58 2.01 -1.12 -4.88 115.64 120.49 2k32 s THR 94 Ca 0.03 0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.26 2k32 s THR 94 Cb 0.15 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 2k32 s THR 94 CO 0.83 0.12 0.14 -1.61 -0.69 0.00 0.00 174.62 173.41 2k32 s GLU 95 N 2.30 3.63 0.03 4.92 2.02 -1.26 -4.53 118.70 125.80 2k32 s GLU 95 Ca 0.03 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.39 2k32 s GLU 95 Cb -0.12 -3.53 -0.33 0.00 0.10 0.00 0.00 34.13 30.25 2k32 s GLU 95 CO -0.06 -0.28 1.00 -0.07 0.02 0.00 0.00 175.26 175.87 2k32 h LEU 96 N 8.33 0.69 0.00 1.80 3.38 -1.77 -3.43 115.31 124.30 2k32 h LEU 96 Ca -0.35 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 56.85 2k32 h LEU 96 Cb 1.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2k32 h LEU 96 CO 0.59 1.61 0.00 0.55 0.09 0.00 0.00 178.44 181.27 2k32 n VAL 97 N -3.64 0.00 -4.36 1.22 3.14 -1.26 -0.58 118.33 112.85 2k32 n VAL 97 Ca -0.15 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 60.91 2k32 n VAL 97 Cb 1.08 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.76 2k32 n VAL 97 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k32 s ARG 98 N -2.00 2.64 -0.07 1.45 1.70 -1.26 -0.40 118.95 121.02 2k32 s ARG 98 Ca 0.00 -0.68 0.05 0.00 -0.47 0.00 0.00 55.73 54.63 2k32 s ARG 98 Cb 0.00 -2.57 -0.01 0.00 -0.57 0.00 0.00 34.95 31.80 2k32 s ARG 98 CO 0.00 0.61 -0.24 0.08 -1.08 0.00 0.00 175.30 174.67 2k32 s VAL 99 N -1.05 2.15 -0.11 4.99 1.01 -0.34 -1.21 120.40 125.85 2k32 s VAL 99 Ca 0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2k32 s VAL 99 Cb -0.11 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.52 2k32 s VAL 99 CO 0.09 0.57 0.11 0.28 0.00 0.00 0.00 175.10 176.15 2k32 s THR 100 N -0.07 -0.17 0.31 3.92 -1.32 0.48 -0.72 115.64 118.07 2k32 s THR 100 Ca -0.06 0.19 -0.29 0.00 -1.21 0.00 0.00 61.69 60.32 2k32 s THR 100 Cb -0.15 -0.36 -0.10 0.00 -1.51 0.00 0.00 72.50 70.38 2k32 s THR 100 CO 0.05 0.00 1.25 0.21 -2.21 0.00 0.00 174.62 173.92 2k32 s ASN 101 N 2.21 6.93 0.00 8.08 3.84 -1.26 -0.33 114.94 134.41 2k32 s ASN 101 Ca 0.04 2.55 0.00 0.00 0.21 0.00 0.00 52.86 55.66 2k32 s ASN 101 Cb -0.13 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 37.92 2k32 s ASN 101 CO -0.06 -0.42 0.09 0.18 -2.79 0.00 0.00 177.10 174.10 2k32 n LEU 102 N 1.01 0.33 -4.14 3.21 4.77 -1.26 -4.86 117.00 116.06 2k32 n LEU 102 Ca -0.00 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.36 2k32 n LEU 102 Cb 0.43 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 2k32 n LEU 102 CO 0.58 -0.44 -0.39 0.20 -1.33 0.00 0.00 177.39 176.01 2k32 s ASN 103 N -2.69 1.02 -0.09 -1.43 -0.87 -1.26 -5.07 114.94 104.56 2k32 s ASN 103 Ca 0.00 -0.91 0.01 0.00 -1.57 0.00 0.00 52.86 50.39 2k32 s ASN 103 Cb 0.00 0.09 0.13 0.00 -0.02 0.00 0.00 41.25 41.45 2k32 s ASN 103 CO 0.00 -0.42 1.18 -0.81 -2.57 0.00 0.00 177.10 174.47 2k32 n PRO 104 N 0.28 1.25 0.00 -0.60 -0.04 -1.26 -3.48 135.00 131.14 2k32 n PRO 104 Ca -0.14 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2k32 n PRO 104 Cb 0.60 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2k32 n PRO 104 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2k32 n ILE 105 N 0.18 0.00 -1.78 0.52 -5.35 -1.26 -5.09 119.36 106.58 2k32 n ILE 105 Ca 0.12 -0.03 -0.43 0.00 -0.27 0.00 0.00 62.75 62.14 2k32 n ILE 105 Cb 0.73 1.87 -0.03 0.00 -1.74 0.00 0.00 39.64 40.47 2k32 n ILE 105 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2k32 s TYR 106 N -0.00 1.49 0.33 4.28 1.51 -1.23 -4.94 117.35 118.79 2k32 s TYR 106 Ca 0.00 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.15 2k32 s TYR 106 Cb 0.00 -4.05 0.03 0.00 -0.11 0.00 0.00 41.96 37.83 2k32 s TYR 106 CO 0.00 -4.20 0.65 0.00 -1.11 0.00 0.00 175.55 170.89 2k32 s ALA 107 N 6.16 -0.45 0.02 3.71 0.00 -1.26 -5.03 121.76 124.91 2k32 s ALA 107 Ca 0.88 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.03 2k32 s ALA 107 Cb -0.33 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 2k32 s ALA 107 CO 0.35 -0.93 -0.09 0.34 0.00 0.00 0.00 175.76 175.43 2k32 s ASP 108 N -3.06 1.02 0.00 0.00 2.15 -1.26 -5.14 116.67 110.38 2k32 s ASP 108 Ca 0.19 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.83 2k32 s ASP 108 Cb -0.04 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 2k32 s ASP 108 CO 0.12 -0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 2k32 n GLY 109 N 2.21 -1.23 3.24 2.66 0.00 -1.26 -5.19 105.19 105.63 2k32 n GLY 109 Ca -0.17 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 2k32 n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k32 s SER 110 N -4.00 0.13 0.00 1.61 1.04 -1.26 -5.09 113.70 106.13 2k32 s SER 110 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2k32 s SER 110 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2k32 s SER 110 CO 0.00 -0.78 0.00 0.00 0.98 0.00 0.00 173.24 173.44 2k32 n HIS 111 N -0.10 0.00 -3.76 5.02 1.44 -1.26 -5.10 115.22 111.46 2k32 n HIS 111 Ca -0.12 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.49 2k32 n HIS 111 Cb 0.63 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.67 2k32 n HIS 111 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k32 s HIS 112 N -0.61 -0.02 -0.04 -1.40 5.65 -1.26 -5.09 115.29 112.52 2k32 s HIS 112 Ca 0.00 -0.33 0.12 0.00 0.25 0.00 0.00 55.06 55.10 2k32 s HIS 112 Cb 0.00 0.08 0.21 0.00 -1.18 0.00 0.00 32.58 31.69 2k32 s HIS 112 CO 0.00 -0.59 1.10 0.72 -0.65 0.00 0.00 174.74 175.31 2k32 n HIS 113 N -0.00 0.00 -0.93 3.88 -0.00 -1.26 -5.02 115.22 111.88 2k32 n HIS 113 Ca -0.16 -0.45 0.00 0.00 -0.00 0.00 0.00 57.72 57.11 2k32 n HIS 113 Cb 0.62 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 2k32 n HIS 113 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k32 n HIS 114 N -0.19 0.00 -1.36 4.41 8.25 -1.26 -5.01 115.22 120.06 2k32 n HIS 114 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 2k32 n HIS 114 Cb 0.82 -1.31 0.08 0.00 1.12 0.00 0.00 29.99 30.70 2k32 n HIS 114 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k32 s HIS 115 N -1.43 2.65 0.00 4.41 -3.43 -1.26 -5.36 115.29 110.87 2k32 s HIS 115 Ca 0.00 1.54 0.00 0.00 -0.80 0.00 0.00 55.06 55.80 2k32 s HIS 115 Cb 0.00 -3.04 0.00 0.00 -1.43 0.00 0.00 32.58 28.11 2k32 s HIS 115 CO 0.00 -1.71 0.00 0.72 -2.00 0.00 0.00 174.74 171.75