#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k33 s VAL 2 N 0.00 4.51 0.07 2.53 1.01 -0.81 -4.98 120.40 122.73 2k33 s VAL 2 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 61.91 2k33 s VAL 2 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2k33 s VAL 2 CO 0.00 0.60 -0.26 -0.63 0.00 0.00 0.00 175.10 174.81 2k33 s ILE 3 N -0.85 2.12 -0.26 2.22 1.01 -1.26 0.43 121.20 124.61 2k33 s ILE 3 Ca 0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 60.65 59.24 2k33 s ILE 3 Cb -0.11 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.52 2k33 s ILE 3 CO 0.02 0.26 0.00 -0.63 0.00 0.00 0.00 174.94 174.59 2k33 s ILE 4 N -0.89 3.50 0.19 2.92 1.01 -0.93 -4.87 121.20 122.13 2k33 s ILE 4 Ca 0.12 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2k33 s ILE 4 Cb -0.10 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2k33 s ILE 4 CO 0.03 0.24 -0.06 -1.59 0.00 0.00 0.00 174.94 173.56 2k33 s LYS 5 N 1.45 1.21 0.91 2.79 0.00 -1.26 -4.26 119.74 120.58 2k33 s LYS 5 Ca 0.03 -1.57 -0.12 0.00 0.00 0.00 0.00 55.97 54.32 2k33 s LYS 5 Cb -0.16 -0.67 0.14 0.00 0.00 0.00 0.00 37.83 37.14 2k33 s LYS 5 CO -0.01 0.00 1.09 -1.25 0.00 0.00 0.00 175.35 175.18 2k33 s PRO 6 N -3.79 1.14 0.00 1.78 0.04 -1.16 -4.93 135.00 128.08 2k33 s PRO 6 Ca 0.23 0.78 0.23 0.00 0.04 0.00 0.00 61.00 62.27 2k33 s PRO 6 Cb 0.04 -1.80 0.27 0.00 0.04 0.00 0.00 34.50 33.05 2k33 s PRO 6 CO 0.05 -2.31 1.29 0.94 0.04 0.00 0.00 177.00 177.01 2k33 n GLN 7 N -3.92 2.30 -4.00 4.56 7.27 -1.26 -4.09 117.38 118.23 2k33 n GLN 7 Ca 0.07 -2.02 -0.10 0.00 0.07 0.00 0.00 57.00 55.02 2k33 n GLN 7 Cb 0.55 -1.46 -0.07 0.00 2.41 0.00 0.00 30.24 31.67 2k33 n GLN 7 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2k33 s VAL 8 N -1.74 0.03 -0.33 1.69 -7.23 -1.26 -4.97 120.40 106.59 2k33 s VAL 8 Ca 0.31 -1.47 -0.17 0.00 -1.81 0.00 0.00 61.98 58.84 2k33 s VAL 8 Cb 0.20 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2k33 s VAL 8 CO 0.30 -0.16 0.44 -0.94 -0.31 0.00 0.00 175.10 174.43 2k33 s SER 9 N -3.01 6.27 0.00 4.85 1.04 -1.26 -3.87 113.70 117.72 2k33 s SER 9 Ca 0.22 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2k33 s SER 9 Cb 0.03 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2k33 s SER 9 CO 0.04 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2k33 n GLY 10 N 4.80 3.74 3.04 7.32 0.00 -0.67 -2.12 105.19 121.29 2k33 n GLY 10 Ca -0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2k33 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k33 s VAL 11 N 0.60 -0.00 0.19 1.61 0.11 -0.85 0.31 120.40 122.37 2k33 s VAL 11 Ca 0.00 0.01 -0.33 0.00 -2.93 0.00 0.00 61.98 58.74 2k33 s VAL 11 Cb 0.00 -0.25 -0.14 0.00 -1.53 0.00 0.00 36.38 34.46 2k33 s VAL 11 CO 0.00 0.01 1.35 -0.38 -3.33 0.00 0.00 175.10 172.75 2k33 n ILE 12 N 3.08 0.68 -0.02 7.04 2.08 -0.88 -1.73 119.36 129.62 2k33 n ILE 12 Ca -0.13 -0.17 -0.03 0.00 0.56 0.00 0.00 62.75 62.98 2k33 n ILE 12 Cb 0.58 -1.23 -0.02 0.00 -0.75 0.00 0.00 39.64 38.23 2k33 n ILE 12 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2k33 n VAL 13 N 2.08 0.21 -3.98 1.39 0.31 0.11 -2.33 118.33 116.13 2k33 n VAL 13 Ca 0.14 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 2k33 n VAL 13 Cb 0.28 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 2k33 n VAL 13 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k33 s ASN 14 N -4.36 0.32 -0.32 4.52 2.47 -1.23 -4.86 114.94 111.48 2k33 s ASN 14 Ca -0.05 -1.18 0.00 0.00 0.42 0.00 0.00 52.86 52.05 2k33 s ASN 14 Cb 0.01 0.69 0.14 0.00 -1.45 0.00 0.00 41.25 40.64 2k33 s ASN 14 CO 0.09 -1.34 0.28 -1.59 -3.72 0.00 0.00 177.10 170.81 2k33 s LYS 15 N -3.23 0.42 -0.94 0.43 -2.85 -1.26 -1.71 119.74 110.60 2k33 s LYS 15 Ca 0.23 -0.57 -0.02 0.00 -1.00 0.00 0.00 55.97 54.62 2k33 s LYS 15 Cb -0.02 -0.84 0.28 0.00 -2.06 0.00 0.00 37.83 35.19 2k33 s LYS 15 CO 0.14 -1.10 2.07 1.28 0.10 0.00 0.00 175.35 177.84 2k33 n LEU 16 N 4.83 7.42 -4.31 2.77 4.32 0.15 -4.92 117.00 127.26 2k33 n LEU 16 Ca 0.03 -4.99 -0.18 0.00 -0.02 0.00 0.00 56.01 50.85 2k33 n LEU 16 Cb 0.44 -1.17 -0.09 0.00 -1.62 0.00 0.00 43.42 40.99 2k33 n LEU 16 CO 0.05 1.92 -0.18 0.72 -1.22 0.00 0.00 177.39 178.68 2k33 s PHE 17 N -3.57 1.59 0.17 -1.77 -0.71 -1.01 -3.87 117.98 108.81 2k33 s PHE 17 Ca 0.48 -1.44 0.06 0.00 -1.04 0.00 0.00 56.93 54.98 2k33 s PHE 17 Cb 0.30 -0.79 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 2k33 s PHE 17 CO -0.24 -0.62 -0.13 0.15 -1.34 0.00 0.00 175.22 173.05 2k33 s LYS 18 N -3.76 1.19 -0.41 1.99 -0.14 -1.26 -5.11 119.74 112.24 2k33 s LYS 18 Ca 0.37 -1.50 -0.22 0.00 -1.36 0.00 0.00 55.97 53.25 2k33 s LYS 18 Cb 0.04 -0.90 0.02 0.00 -1.68 0.00 0.00 37.83 35.31 2k33 s LYS 18 CO 0.19 0.14 0.75 0.00 -0.76 0.00 0.00 175.35 175.67 2k33 s ALA 19 N -3.04 3.36 0.00 5.17 0.00 -1.26 -3.77 121.76 122.22 2k33 s ALA 19 Ca 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2k33 s ALA 19 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2k33 s ALA 19 CO 0.04 -1.68 0.00 0.41 0.00 0.00 0.00 175.76 174.53 2k33 n GLY 20 N 4.79 0.57 3.96 0.00 0.00 -0.71 -4.92 105.19 108.88 2k33 n GLY 20 Ca 0.02 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2k33 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k33 s ASP 21 N -2.78 5.79 -0.00 1.61 2.15 -1.05 -4.90 116.67 117.49 2k33 s ASP 21 Ca 0.00 -0.28 -0.16 0.00 0.43 0.00 0.00 52.55 52.54 2k33 s ASP 21 Cb 0.00 -1.11 -0.06 0.00 -0.30 0.00 0.00 42.92 41.45 2k33 s ASP 21 CO 0.00 -0.45 0.44 -0.54 -0.17 0.00 0.00 175.17 174.45 2k33 s LYS 22 N -4.15 4.02 0.49 4.34 1.02 -1.26 -0.74 119.74 123.45 2k33 s LYS 22 Ca 0.45 0.47 0.08 0.00 0.02 0.00 0.00 55.97 56.99 2k33 s LYS 22 Cb -0.09 -3.25 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2k33 s LYS 22 CO 0.30 0.62 0.57 0.14 -0.92 0.00 0.00 175.35 176.06 2k33 s VAL 23 N -0.89 2.44 0.44 3.17 -7.23 0.40 -4.88 120.40 113.84 2k33 s VAL 23 Ca 0.25 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2k33 s VAL 23 Cb -0.17 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2k33 s VAL 23 CO 0.14 0.00 0.14 -0.54 -0.31 0.00 0.00 175.10 174.53 2k33 s LYS 24 N -4.38 2.02 -0.99 4.82 1.02 -1.26 -2.37 119.74 118.60 2k33 s LYS 24 Ca 0.52 -2.26 -0.23 0.00 0.02 0.00 0.00 55.97 54.02 2k33 s LYS 24 Cb -0.06 -0.60 0.05 0.00 -0.52 0.00 0.00 37.83 36.70 2k33 s LYS 24 CO 0.32 -0.54 1.43 0.15 -0.92 0.00 0.00 175.35 175.79 2k33 s LYS 25 N -3.65 3.54 0.00 1.68 1.02 -1.26 -3.14 119.74 117.93 2k33 s LYS 25 Ca 0.20 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.18 2k33 s LYS 25 Cb 0.01 -5.22 0.00 0.00 -0.52 0.00 0.00 37.83 32.10 2k33 s LYS 25 CO 0.14 -2.20 0.00 0.41 -0.92 0.00 0.00 175.35 172.78 2k33 n GLY 26 N 6.71 1.05 3.71 -3.33 0.00 -0.71 -4.97 105.19 107.65 2k33 n GLY 26 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2k33 n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k33 s GLN 27 N -0.48 4.52 0.35 1.61 0.74 -1.19 -4.71 119.66 120.51 2k33 s GLN 27 Ca 0.00 1.46 -0.28 0.00 0.05 0.00 0.00 55.36 56.59 2k33 s GLN 27 Cb 0.00 -3.46 -0.11 0.00 1.10 0.00 0.00 33.01 30.54 2k33 s GLN 27 CO 0.00 -0.13 1.42 0.99 -0.55 0.00 0.00 175.29 177.02 2k33 s THR 28 N 1.21 2.31 0.00 -0.34 2.01 -1.26 -0.99 115.64 118.58 2k33 s THR 28 Ca 0.52 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2k33 s THR 28 Cb -0.22 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.09 2k33 s THR 28 CO 0.26 0.07 0.00 0.18 -0.69 0.00 0.00 174.62 174.45 2k33 n LEU 29 N 0.69 0.31 -4.21 4.42 4.77 0.80 -4.60 117.00 119.18 2k33 n LEU 29 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.81 2k33 n LEU 29 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2k33 n LEU 29 CO 0.62 0.05 -0.00 -0.36 -1.33 0.00 0.00 177.39 176.37 2k33 s PHE 30 N -1.16 1.53 -0.08 -1.77 0.40 -0.98 0.33 117.98 116.24 2k33 s PHE 30 Ca 0.00 -1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 54.71 2k33 s PHE 30 Cb 0.00 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 43.08 2k33 s PHE 30 CO 0.00 -1.00 0.22 0.42 0.70 0.00 0.00 175.22 175.56 2k33 s ILE 31 N -3.21 0.00 -0.04 0.64 1.01 -0.69 0.01 121.20 118.93 2k33 s ILE 31 Ca 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 2k33 s ILE 31 Cb 0.01 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.17 2k33 s ILE 31 CO 0.26 -0.01 0.10 -0.63 0.00 0.00 0.00 174.94 174.66 2k33 s ILE 32 N 0.09 -0.00 -0.23 2.92 1.01 -0.99 0.07 121.20 124.07 2k33 s ILE 32 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 2k33 s ILE 32 Cb -0.02 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 2k33 s ILE 32 CO 0.00 0.00 0.03 -1.83 0.00 0.00 0.00 174.94 173.15 2k33 s GLU 33 N 0.11 3.59 0.98 2.79 -1.05 -0.70 -0.64 118.70 123.77 2k33 s GLU 33 Ca -0.00 -0.52 -0.15 0.00 -0.15 0.00 0.00 54.97 54.15 2k33 s GLU 33 Cb -0.01 -3.21 -0.07 0.00 -0.44 0.00 0.00 34.13 30.40 2k33 s GLU 33 CO -0.00 -0.15 -0.29 1.04 0.95 0.00 0.00 175.26 176.81 2k33 n GLN 34 N 4.76 -0.13 -0.09 -4.83 3.00 -1.26 -2.00 117.38 116.82 2k33 n GLN 34 Ca -0.17 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.69 2k33 n GLN 34 Cb 0.51 -1.37 -0.15 0.00 0.00 0.00 0.00 30.24 29.24 2k33 n GLN 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2k33 n ASP 35 N 1.42 0.53 -4.67 1.08 2.03 -0.90 -4.76 116.55 111.27 2k33 n ASP 35 Ca 0.02 0.03 -0.61 0.00 0.52 0.00 0.00 54.79 54.75 2k33 n ASP 35 Cb 0.55 0.56 -0.08 0.00 -0.72 0.00 0.00 41.12 41.43 2k33 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k33 n GLN 36 N -2.90 0.69 0.00 -0.67 0.00 -1.26 -4.77 117.38 108.47 2k33 n GLN 36 Ca -0.33 0.25 0.05 0.00 0.00 0.00 0.00 57.00 56.96 2k33 n GLN 36 Cb 1.11 -1.89 0.31 0.00 0.00 0.00 0.00 30.24 29.77 2k33 n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k33 n ALA 37 N 5.45 2.40 -1.66 2.61 0.00 -1.26 -4.96 120.51 123.09 2k33 n ALA 37 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2k33 n ALA 37 Cb 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2k33 n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k33 n SER 38 N -0.69 -7.78 0.26 0.00 7.64 -1.26 -4.71 113.62 107.09 2k33 n SER 38 Ca 0.08 1.10 -0.11 0.00 1.01 0.00 0.00 58.87 60.95 2k33 n SER 38 Cb 0.04 -4.11 -0.05 0.00 -1.01 0.00 0.00 64.21 59.07 2k33 n SER 38 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2k33 h LYS 39 N 3.06 -0.68 0.00 1.43 6.56 -2.03 -3.30 116.57 121.61 2k33 h LYS 39 Ca 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2k33 h LYS 39 Cb 0.00 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2k33 h LYS 39 CO 0.00 -0.45 -0.42 -3.47 -2.06 0.00 0.00 179.45 173.05 2k33 n ASP 40 N -4.80 0.48 -3.25 0.86 -0.08 -1.26 -5.01 116.55 103.50 2k33 n ASP 40 Ca -0.09 0.03 -0.16 0.00 -1.51 0.00 0.00 54.79 53.06 2k33 n ASP 40 Cb 0.28 0.04 0.02 0.00 2.34 0.00 0.00 41.12 43.79 2k33 n ASP 40 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2k33 n PHE 41 N -1.71 -1.11 -3.78 -0.67 -1.74 -1.24 -4.99 117.46 102.22 2k33 n PHE 41 Ca 0.05 0.46 -0.08 0.00 -0.56 0.00 0.00 57.45 57.33 2k33 n PHE 41 Cb 0.37 -1.27 -0.01 0.00 1.52 0.00 0.00 39.48 40.09 2k33 n PHE 41 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2k33 n ASN 42 N 0.69 1.74 -2.79 5.98 2.04 -1.26 -5.08 115.26 116.58 2k33 n ASN 42 Ca -0.04 -1.54 -0.23 0.00 -0.44 0.00 0.00 54.58 52.33 2k33 n ASN 42 Cb 0.56 0.02 -0.01 0.00 -2.53 0.00 0.00 39.78 37.82 2k33 n ASN 42 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 2k33 n ARG 43 N -0.70 2.64 -0.93 -3.83 1.85 -1.26 -4.85 116.66 109.57 2k33 n ARG 43 Ca -0.02 -4.27 -0.16 0.00 -1.00 0.00 0.00 57.85 52.39 2k33 n ARG 43 Cb 0.17 -2.01 0.16 0.00 -1.05 0.00 0.00 32.46 29.73 2k33 n ARG 43 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2k33 n SER 44 N -0.21 3.70 0.14 2.89 2.88 -1.26 -4.53 113.62 117.22 2k33 n SER 44 Ca 0.29 -3.20 -0.06 0.00 -1.33 0.00 0.00 58.87 54.57 2k33 n SER 44 Cb 0.59 -0.75 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 2k33 n SER 44 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2k33 h LYS 45 N 1.01 -0.38 -0.23 -1.46 1.57 -1.95 -3.46 116.57 111.67 2k33 h LYS 45 Ca 0.45 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.38 2k33 h LYS 45 Cb 2.39 0.09 -0.17 0.00 0.08 0.00 0.00 32.23 34.61 2k33 h LYS 45 CO 0.82 -0.25 -0.12 0.00 -0.57 0.00 0.00 179.45 179.33 2k33 s ALA 46 N -3.71 -4.38 0.00 3.86 0.00 -1.26 -5.17 121.76 111.09 2k33 s ALA 46 Ca -0.06 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 2k33 s ALA 46 Cb 0.01 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2k33 s ALA 46 CO 0.17 -2.49 0.06 -0.48 0.00 0.00 0.00 175.76 173.02 2k33 s LEU 47 N 1.97 1.87 0.00 0.00 2.34 -1.26 -4.97 118.68 118.62 2k33 s LEU 47 Ca 0.15 -0.24 0.00 0.00 0.06 0.00 0.00 54.13 54.09 2k33 s LEU 47 Cb 0.03 0.35 0.00 0.00 -0.56 0.00 0.00 46.19 46.00 2k33 s LEU 47 CO -0.15 -0.26 0.00 0.33 -1.06 0.00 0.00 176.35 175.21 2k33 n PHE 48 N 1.88 0.00 -1.36 3.48 7.35 -1.26 -5.09 117.46 122.46 2k33 n PHE 48 Ca -0.21 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.09 2k33 n PHE 48 Cb 0.56 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.41 2k33 n PHE 48 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k33 n SER 49 N 0.00 -2.28 -4.49 -2.13 7.64 -1.26 -4.66 113.62 106.44 2k33 n SER 49 Ca 0.00 0.75 -0.51 0.00 1.01 0.00 0.00 58.87 60.12 2k33 n SER 49 Cb 0.00 -1.00 -0.07 0.00 -1.01 0.00 0.00 64.21 62.14 2k33 n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k33 n GLN 50 N 0.87 1.20 -3.94 1.43 0.00 -1.26 -0.81 117.38 114.86 2k33 n GLN 50 Ca 0.10 0.35 -0.29 0.00 0.00 0.00 0.00 57.00 57.16 2k33 n GLN 50 Cb 0.45 -2.46 0.01 0.00 0.00 0.00 0.00 30.24 28.24 2k33 n GLN 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2k33 n SER 51 N 9.20 -3.29 -0.04 2.61 7.64 -1.26 -4.90 113.62 123.58 2k33 n SER 51 Ca 0.38 -0.86 -0.11 0.00 1.01 0.00 0.00 58.87 59.29 2k33 n SER 51 Cb 0.23 -3.59 -0.10 0.00 -1.01 0.00 0.00 64.21 59.74 2k33 n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k33 h ALA 52 N 0.92 -0.03 -3.86 -0.43 0.00 -1.28 -3.45 119.26 111.13 2k33 h ALA 52 Ca -0.59 -0.36 -0.68 0.00 0.00 0.00 0.00 54.91 53.27 2k33 h ALA 52 Cb 1.37 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.88 2k33 h ALA 52 CO 0.67 -0.07 -0.84 0.42 0.00 0.00 0.00 179.25 179.42 2k33 s ILE 53 N -2.51 2.40 -0.26 0.00 1.01 -1.26 -5.06 121.20 115.52 2k33 s ILE 53 Ca -0.15 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 2k33 s ILE 53 Cb -0.02 -1.91 0.09 0.00 0.01 0.00 0.00 42.46 40.63 2k33 s ILE 53 CO 0.56 0.57 0.10 -0.44 0.00 0.00 0.00 174.94 175.72 2k33 s SER 54 N -0.14 3.31 0.60 3.58 0.01 -1.26 -4.99 113.70 114.81 2k33 s SER 54 Ca -0.03 -1.16 0.28 0.00 1.31 0.00 0.00 55.95 56.35 2k33 s SER 54 Cb -0.14 -0.46 1.31 0.00 0.21 0.00 0.00 66.02 66.94 2k33 s SER 54 CO 0.04 -0.40 1.71 1.56 0.41 0.00 0.00 173.24 176.56 2k33 h GLN 55 N 8.33 0.00 -0.89 12.44 7.50 -1.99 0.60 115.11 141.10 2k33 h GLN 55 Ca -0.17 0.00 0.24 0.00 0.50 0.00 0.00 58.65 59.22 2k33 h GLN 55 Cb 1.05 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.44 2k33 h GLN 55 CO 0.40 0.00 0.22 0.87 -1.50 0.00 0.00 178.83 178.82 2k33 h LYS 56 N 0.00 0.17 0.00 1.46 1.57 -2.05 -3.26 116.57 114.46 2k33 h LYS 56 Ca 0.29 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 2k33 h LYS 56 Cb 1.70 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.87 2k33 h LYS 56 CO -0.00 0.11 -0.35 0.39 -0.57 0.00 0.00 179.45 179.03 2k33 n GLU 57 N -5.26 0.00 -0.75 3.15 1.02 -0.33 -5.14 120.64 113.33 2k33 n GLU 57 Ca 0.22 -0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 56.24 2k33 n GLU 57 Cb 0.71 0.01 0.14 0.00 -0.02 0.00 0.00 31.44 32.28 2k33 n GLU 57 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2k33 n TYR 58 N 0.08 -1.62 -4.66 -0.32 4.11 0.20 -5.00 117.16 109.95 2k33 n TYR 58 Ca -0.06 0.19 -0.30 0.00 -0.00 0.00 0.00 57.90 57.73 2k33 n TYR 58 Cb 0.70 -1.63 -0.09 0.00 -0.00 0.00 0.00 39.34 38.31 2k33 n TYR 58 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2k33 s ASP 59 N -1.83 4.02 0.00 9.48 2.15 -1.26 -5.00 116.67 124.23 2k33 s ASP 59 Ca 0.55 -1.48 0.26 0.00 0.43 0.00 0.00 52.55 52.30 2k33 s ASP 59 Cb -0.15 0.01 0.64 0.00 -0.30 0.00 0.00 42.92 43.13 2k33 s ASP 59 CO 0.67 -0.64 1.50 -1.20 -0.17 0.00 0.00 175.17 175.34 2k33 n SER 60 N -1.12 0.54 0.11 -0.34 7.64 -1.26 -3.96 113.62 115.24 2k33 n SER 60 Ca -0.11 -0.30 0.15 0.00 1.01 0.00 0.00 58.87 59.62 2k33 n SER 60 Cb 0.67 0.15 0.67 0.00 -1.01 0.00 0.00 64.21 64.69 2k33 n SER 60 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2k33 h SER 61 N 0.21 0.00 1.87 6.43 4.64 -2.03 0.22 113.55 124.89 2k33 h SER 61 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k33 h SER 61 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2k33 h SER 61 CO 0.00 0.00 0.00 0.17 -0.87 0.00 0.00 176.83 176.13 2k33 h LEU 62 N 0.00 0.00 -8.50 5.97 8.10 -2.02 -3.42 115.31 115.45 2k33 h LEU 62 Ca 0.14 0.00 -0.67 0.00 0.11 0.00 0.00 57.88 57.46 2k33 h LEU 62 Cb 0.57 0.00 -0.24 0.00 -0.44 0.00 0.00 40.66 40.55 2k33 h LEU 62 CO -0.00 0.00 -0.58 0.00 -4.11 0.00 0.00 178.44 173.75 2k33 s ALA 63 N -3.22 3.19 -0.24 0.17 0.00 0.76 -4.95 121.76 117.48 2k33 s ALA 63 Ca 0.07 -1.41 0.11 0.00 0.00 0.00 0.00 51.96 50.74 2k33 s ALA 63 Cb 0.06 -2.28 0.45 0.00 0.00 0.00 0.00 23.12 21.34 2k33 s ALA 63 CO 0.65 -0.90 1.19 0.25 0.00 0.00 0.00 175.76 176.95 2k33 n THR 64 N 4.94 2.12 -1.49 0.00 -2.24 -1.26 -4.90 114.28 111.43 2k33 n THR 64 Ca -0.14 -3.50 -0.12 0.00 -2.27 0.00 0.00 64.05 58.02 2k33 n THR 64 Cb 0.49 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 2k33 n THR 64 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2k33 n LEU 65 N -0.77 -0.88 -2.82 3.22 4.32 -1.26 -3.52 117.00 115.30 2k33 n LEU 65 Ca 0.28 0.28 -0.02 0.00 -0.02 0.00 0.00 56.01 56.53 2k33 n LEU 65 Cb 0.86 -1.85 -0.02 0.00 -1.62 0.00 0.00 43.42 40.79 2k33 n LEU 65 CO 0.17 -0.54 -0.47 0.47 -1.22 0.00 0.00 177.39 175.80 2k33 n ASP 66 N -0.52 -4.90 -4.71 -1.43 8.00 -1.26 -4.42 116.55 107.30 2k33 n ASP 66 Ca -0.12 1.16 -0.40 0.00 0.71 0.00 0.00 54.79 56.15 2k33 n ASP 66 Cb 0.41 -4.04 -0.05 0.00 -0.02 0.00 0.00 41.12 37.43 2k33 n ASP 66 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2k33 s HIS 67 N -0.88 3.56 -0.49 1.24 3.76 -1.23 -4.12 115.29 117.14 2k33 s HIS 67 Ca -0.11 1.23 -0.19 0.00 -0.15 0.00 0.00 55.06 55.84 2k33 s HIS 67 Cb 0.01 -2.81 0.05 0.00 1.11 0.00 0.00 32.58 30.94 2k33 s HIS 67 CO 0.52 0.07 0.61 0.99 -0.85 0.00 0.00 174.74 176.08 2k33 s THR 68 N 0.89 4.89 0.10 1.30 2.01 0.18 -4.96 115.64 120.05 2k33 s THR 68 Ca 0.37 -0.39 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 2k33 s THR 68 Cb -0.18 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 68.00 2k33 s THR 68 CO 0.17 -0.74 1.35 -1.61 -0.69 0.00 0.00 174.62 173.10 2k33 s GLU 69 N 2.61 4.35 -0.42 4.92 2.02 -1.26 -2.33 118.70 128.57 2k33 s GLU 69 Ca 0.16 2.00 -0.26 0.00 0.02 0.00 0.00 54.97 56.89 2k33 s GLU 69 Cb -0.18 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.80 2k33 s GLU 69 CO 0.13 -0.40 0.97 0.42 0.02 0.00 0.00 175.26 176.41 2k33 s ILE 70 N 1.11 4.46 -0.07 -1.63 1.09 0.10 -4.96 121.20 121.30 2k33 s ILE 70 Ca 0.63 1.05 0.04 0.00 -1.10 0.00 0.00 60.65 61.27 2k33 s ILE 70 Cb -0.35 -4.43 -0.01 0.00 -1.06 0.00 0.00 42.46 36.60 2k33 s ILE 70 CO 0.30 -0.75 -0.21 -1.59 -0.10 0.00 0.00 174.94 172.60 2k33 s LYS 71 N 3.79 2.72 0.44 2.79 -2.85 -1.26 -0.14 119.74 125.23 2k33 s LYS 71 Ca 0.40 -0.82 -0.23 0.00 -1.00 0.00 0.00 55.97 54.31 2k33 s LYS 71 Cb -0.10 -2.30 -0.10 0.00 -2.06 0.00 0.00 37.83 33.27 2k33 s LYS 71 CO 0.24 0.39 0.90 0.00 0.10 0.00 0.00 175.35 176.98 2k33 n ALA 72 N 2.96 -0.20 0.11 0.59 0.00 -0.16 -4.77 120.51 119.04 2k33 n ALA 72 Ca -0.18 0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2k33 n ALA 72 Cb 0.52 -2.01 0.22 0.00 0.00 0.00 0.00 19.45 18.18 2k33 n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k33 h PRO 73 N 1.24 0.17 -2.02 0.00 0.13 -1.92 -1.90 132.00 127.69 2k33 h PRO 73 Ca -0.44 -0.09 0.13 0.00 -0.87 0.00 0.00 66.00 64.73 2k33 h PRO 73 Cb 1.35 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.32 2k33 h PRO 73 CO 0.55 0.61 0.55 -0.59 -0.23 0.00 0.00 178.00 178.89 2k33 s PHE 74 N -4.00 -0.32 0.19 1.56 -0.12 -1.26 -4.59 117.98 109.45 2k33 s PHE 74 Ca -0.04 0.27 -0.32 0.00 -0.05 0.00 0.00 56.93 56.79 2k33 s PHE 74 Cb 0.13 0.52 -0.15 0.00 -0.63 0.00 0.00 43.02 42.89 2k33 s PHE 74 CO 0.77 -0.45 1.13 -0.40 -0.05 0.00 0.00 175.22 176.21 2k33 n ASP 75 N -0.04 1.28 0.00 1.98 5.75 -1.24 -4.50 116.55 119.78 2k33 n ASP 75 Ca -0.08 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.85 2k33 n ASP 75 Cb 0.60 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 2k33 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k33 n GLY 76 N 1.91 1.71 2.83 6.12 0.00 -1.00 -4.89 105.19 111.87 2k33 n GLY 76 Ca 0.14 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2k33 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k33 s THR 77 N -1.55 1.43 0.29 2.61 2.01 -0.38 -0.45 115.64 119.60 2k33 s THR 77 Ca 0.00 -1.88 -0.28 0.00 0.31 0.00 0.00 61.69 59.84 2k33 s THR 77 Cb 0.00 -2.06 -0.09 0.00 0.01 0.00 0.00 72.50 70.36 2k33 s THR 77 CO 0.00 -0.68 1.05 -0.51 -0.69 0.00 0.00 174.62 173.79 2k33 s ILE 78 N 1.20 3.67 0.00 1.82 2.07 0.09 0.24 121.20 130.29 2k33 s ILE 78 Ca 0.11 1.60 0.00 0.00 -1.41 0.00 0.00 60.65 60.95 2k33 s ILE 78 Cb -0.19 -3.98 0.00 0.00 0.13 0.00 0.00 42.46 38.42 2k33 s ILE 78 CO -0.16 0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 2k33 n GLY 79 N 1.08 1.52 3.81 1.50 0.00 -0.80 -1.74 105.19 110.55 2k33 n GLY 79 Ca -0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2k33 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k33 s ASP 80 N -1.00 5.77 0.68 1.61 2.15 -1.26 -3.14 116.67 121.48 2k33 s ASP 80 Ca 0.00 0.11 -0.15 0.00 0.43 0.00 0.00 52.55 52.94 2k33 s ASP 80 Cb 0.00 -1.65 0.01 0.00 -0.30 0.00 0.00 42.92 40.98 2k33 s ASP 80 CO 0.00 0.21 1.14 0.00 -0.17 0.00 0.00 175.17 176.35 2k33 s ALA 81 N -1.34 2.37 -0.03 3.66 0.00 -1.26 -4.64 121.76 120.53 2k33 s ALA 81 Ca 0.28 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.92 2k33 s ALA 81 Cb -0.12 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 2k33 s ALA 81 CO 0.20 -1.44 0.09 1.47 0.00 0.00 0.00 175.76 176.09 2k33 n LEU 82 N -2.48 0.02 0.00 0.00 -0.00 -0.60 -4.98 117.00 108.96 2k33 n LEU 82 Ca 0.11 -0.07 -0.16 0.00 -0.00 0.00 0.00 56.01 55.89 2k33 n LEU 82 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2k33 n LEU 82 CO 0.48 0.01 0.05 1.33 -0.00 0.00 0.00 177.39 179.25 2k33 n VAL 83 N -1.56 0.00 -4.37 1.47 0.24 -1.26 -5.09 118.33 107.76 2k33 n VAL 83 Ca -0.00 -1.32 -0.19 0.00 -2.04 0.00 0.00 64.34 60.78 2k33 n VAL 83 Cb 0.09 -0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.13 2k33 n VAL 83 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k33 s ASN 84 N -2.98 2.18 0.44 -1.34 0.01 -1.26 -5.12 114.94 106.87 2k33 s ASN 84 Ca 0.20 -1.22 -0.22 0.00 -0.71 0.00 0.00 52.86 50.91 2k33 s ASN 84 Cb -0.02 -0.06 -0.09 0.00 0.41 0.00 0.00 41.25 41.50 2k33 s ASN 84 CO 0.13 -0.46 1.04 -0.63 -1.51 0.00 0.00 177.10 175.67 2k33 s ILE 85 N -3.27 3.76 0.00 0.60 1.01 -1.26 -3.60 121.20 118.44 2k33 s ILE 85 Ca 0.29 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.17 2k33 s ILE 85 Cb 0.05 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2k33 s ILE 85 CO 0.10 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2k33 n GLY 86 N 0.08 0.74 3.47 6.18 0.00 -0.98 -5.02 105.19 109.66 2k33 n GLY 86 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2k33 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k33 s ASP 87 N -2.26 4.48 0.82 1.61 -1.08 -1.24 -4.90 116.67 114.10 2k33 s ASP 87 Ca 0.00 -0.17 -0.13 0.00 -0.52 0.00 0.00 52.55 51.72 2k33 s ASP 87 Cb 0.00 -1.56 0.06 0.00 -1.46 0.00 0.00 42.92 39.96 2k33 s ASP 87 CO 0.00 0.22 0.98 0.00 0.52 0.00 0.00 175.17 176.88 2k33 n TYR 88 N 3.21 0.53 -3.70 -5.34 9.36 -1.26 -2.07 117.16 117.88 2k33 n TYR 88 Ca -0.18 0.37 -0.14 0.00 3.32 0.00 0.00 57.90 61.28 2k33 n TYR 88 Cb 0.53 -2.02 -0.08 0.00 -0.63 0.00 0.00 39.34 37.13 2k33 n TYR 88 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2k33 s VAL 89 N -2.16 0.05 0.49 2.97 -7.23 0.15 -4.80 120.40 109.87 2k33 s VAL 89 Ca 0.69 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 60.46 2k33 s VAL 89 Cb -0.29 -0.75 0.10 0.00 0.56 0.00 0.00 36.38 36.01 2k33 s VAL 89 CO 0.55 -0.22 0.67 -1.20 -0.31 0.00 0.00 175.10 174.59 2k33 n SER 90 N 1.07 0.85 0.00 4.85 7.64 -1.26 -1.67 113.62 125.10 2k33 n SER 90 Ca -0.21 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 57.94 2k33 n SER 90 Cb 0.57 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2k33 n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k33 n ALA 91 N -2.97 0.00 0.93 -0.43 0.00 -1.25 -4.13 120.51 112.66 2k33 n ALA 91 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.44 2k33 n ALA 91 Cb 0.39 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.89 2k33 n ALA 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k33 n SER 92 N -0.09 2.40 0.19 0.00 2.88 -1.26 -2.96 113.62 114.78 2k33 n SER 92 Ca 0.00 -1.70 0.13 0.00 -1.33 0.00 0.00 58.87 55.97 2k33 n SER 92 Cb 0.00 0.24 0.35 0.00 -0.75 0.00 0.00 64.21 64.05 2k33 n SER 92 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2k33 h THR 93 N 3.33 0.00 -3.10 2.46 2.02 -1.93 -3.41 112.91 112.29 2k33 h THR 93 Ca 0.00 -0.71 -0.72 0.00 0.77 0.00 0.00 66.41 65.75 2k33 h THR 93 Cb 0.82 1.69 -0.21 0.00 -1.74 0.00 0.00 68.15 68.70 2k33 h THR 93 CO 0.00 0.00 -0.07 -0.89 0.37 0.00 0.00 175.52 174.93 2k33 s THR 94 N -3.27 5.01 -1.03 3.16 2.01 -1.26 -4.89 115.64 115.37 2k33 s THR 94 Ca 0.07 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 2k33 s THR 94 Cb 0.08 -4.34 0.32 0.00 0.01 0.00 0.00 72.50 68.56 2k33 s THR 94 CO 0.60 -0.89 1.69 -1.84 -0.69 0.00 0.00 174.62 173.49 2k33 n GLU 95 N 5.80 5.07 -0.21 4.92 0.28 -1.26 -4.49 120.64 130.74 2k33 n GLU 95 Ca -0.11 -4.64 -0.10 0.00 -0.16 0.00 0.00 57.16 52.16 2k33 n GLU 95 Cb 0.43 -2.48 -0.08 0.00 1.43 0.00 0.00 31.44 30.74 2k33 n GLU 95 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 2k33 h LEU 96 N 4.57 -1.55 -8.05 -1.84 -0.00 -1.93 -3.43 115.31 103.09 2k33 h LEU 96 Ca 0.42 0.22 -0.28 0.00 -0.00 0.00 0.00 57.88 58.24 2k33 h LEU 96 Cb 0.42 0.66 -0.24 0.00 -0.00 0.00 0.00 40.66 41.51 2k33 h LEU 96 CO 1.22 -0.24 -0.74 0.54 -0.00 0.00 0.00 178.44 179.22 2k33 s VAL 97 N -4.96 0.43 0.12 0.15 0.11 -1.26 -1.56 120.40 113.43 2k33 s VAL 97 Ca -0.10 -0.75 0.10 0.00 -2.93 0.00 0.00 61.98 58.30 2k33 s VAL 97 Cb 0.07 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 2k33 s VAL 97 CO 0.47 -0.23 -0.22 0.00 -3.33 0.00 0.00 175.10 171.79 2k33 s ARG 98 N -1.05 1.61 0.24 1.54 1.70 -1.26 -2.19 118.95 119.53 2k33 s ARG 98 Ca -0.07 -1.26 0.09 0.00 -0.47 0.00 0.00 55.73 54.02 2k33 s ARG 98 Cb -0.07 -2.02 -0.04 0.00 -0.57 0.00 0.00 34.95 32.25 2k33 s ARG 98 CO 0.00 0.47 0.01 0.14 -1.08 0.00 0.00 175.30 174.84 2k33 s VAL 99 N -1.11 3.59 0.39 4.99 -7.23 0.17 -1.91 120.40 119.28 2k33 s VAL 99 Ca 0.16 -1.75 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2k33 s VAL 99 Cb -0.10 -2.89 -0.06 0.00 0.56 0.00 0.00 36.38 33.89 2k33 s VAL 99 CO 0.08 -0.31 0.05 0.42 -0.31 0.00 0.00 175.10 175.03 2k33 s THR 100 N -2.16 1.35 -0.36 5.32 -4.23 0.14 -1.93 115.64 113.78 2k33 s THR 100 Ca 0.30 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 2k33 s THR 100 Cb -0.07 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 2k33 s THR 100 CO 0.20 0.00 0.32 -3.20 -0.54 0.00 0.00 174.62 171.40 2k33 n ASN 101 N -0.93 -3.86 -2.33 3.99 5.15 -1.26 -1.25 115.26 114.77 2k33 n ASN 101 Ca -0.06 -0.20 -0.12 0.00 -0.60 0.00 0.00 54.58 53.60 2k33 n ASN 101 Cb 0.67 -2.36 -0.05 0.00 -0.53 0.00 0.00 39.78 37.51 2k33 n ASN 101 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2k33 n LEU 102 N -1.92 0.00 -4.42 1.20 7.99 -1.26 -4.56 117.00 114.02 2k33 n LEU 102 Ca -0.02 -1.85 -0.35 0.00 -0.01 0.00 0.00 56.01 53.78 2k33 n LEU 102 Cb 0.53 0.96 0.08 0.00 -0.11 0.00 0.00 43.42 44.89 2k33 n LEU 102 CO 0.22 -0.31 -0.06 0.59 -1.51 0.00 0.00 177.39 176.31 2k33 n ASN 103 N -2.21 -1.76 -4.55 -1.43 3.02 -1.26 -4.80 115.26 102.27 2k33 n ASN 103 Ca 0.04 0.49 -0.35 0.00 -0.03 0.00 0.00 54.58 54.73 2k33 n ASN 103 Cb 0.35 -1.18 -0.04 0.00 -0.61 0.00 0.00 39.78 38.30 2k33 n ASN 103 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k33 s PRO 104 N -2.97 2.61 -0.09 3.52 0.04 -1.26 -4.96 135.00 131.89 2k33 s PRO 104 Ca 0.61 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 2k33 s PRO 104 Cb -0.30 -4.57 -0.02 0.00 0.04 0.00 0.00 34.50 29.64 2k33 s PRO 104 CO 0.62 -2.91 0.91 0.42 0.04 0.00 0.00 177.00 176.08 2k33 s ILE 105 N 9.36 4.87 -0.28 0.56 -1.09 -1.26 -5.02 121.20 128.34 2k33 s ILE 105 Ca 0.68 1.86 -0.03 0.00 -2.23 0.00 0.00 60.65 60.93 2k33 s ILE 105 Cb -0.11 -4.23 0.16 0.00 -1.58 0.00 0.00 42.46 36.70 2k33 s ILE 105 CO 0.15 0.08 0.54 -0.31 -1.23 0.00 0.00 174.94 174.17 2k33 s TYR 106 N 1.62 -1.33 -0.32 3.97 2.02 -1.26 -5.11 117.35 116.95 2k33 s TYR 106 Ca 0.45 1.58 -0.04 0.00 -0.37 0.00 0.00 57.07 58.69 2k33 s TYR 106 Cb -0.18 0.45 0.19 0.00 -0.40 0.00 0.00 41.96 42.02 2k33 s TYR 106 CO 0.19 -0.78 0.89 0.00 -1.57 0.00 0.00 175.55 174.28 2k33 s ALA 107 N 2.77 -3.55 0.89 3.71 0.00 -1.26 -5.17 121.76 119.15 2k33 s ALA 107 Ca 0.14 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 2k33 s ALA 107 Cb -0.14 -2.80 0.15 0.00 0.00 0.00 0.00 23.12 20.33 2k33 s ALA 107 CO -0.19 -2.13 1.24 -0.51 0.00 0.00 0.00 175.76 174.17 2k33 s ASP 108 N 2.59 3.71 0.00 0.00 1.01 -1.26 -5.10 116.67 117.61 2k33 s ASP 108 Ca 0.20 0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.86 2k33 s ASP 108 Cb -0.03 -0.63 0.00 0.00 1.01 0.00 0.00 42.92 43.27 2k33 s ASP 108 CO -0.20 -2.37 0.00 0.61 0.21 0.00 0.00 175.17 173.42 2k33 n GLY 109 N -3.53 4.34 0.11 0.21 0.00 -1.26 -5.08 105.19 99.97 2k33 n GLY 109 Ca 0.13 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 2k33 n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k33 h SER 110 N 0.00 -0.12 -4.60 1.61 4.64 -2.11 -3.50 113.55 109.48 2k33 h SER 110 Ca 0.00 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 60.93 2k33 h SER 110 Cb 0.00 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.04 2k33 h SER 110 CO 0.00 0.52 -1.20 1.57 -0.87 0.00 0.00 176.83 176.85 2k33 n HIS 111 N -4.83 -3.88 -2.69 4.77 -0.00 -1.26 -5.06 115.22 102.27 2k33 n HIS 111 Ca -0.06 2.28 -0.04 0.00 -0.00 0.00 0.00 57.72 59.90 2k33 n HIS 111 Cb 0.25 -3.55 0.02 0.00 -0.00 0.00 0.00 29.99 26.70 2k33 n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k33 n HIS 112 N 1.47 -3.07 0.00 1.57 -0.00 -1.26 -5.10 115.22 108.83 2k33 n HIS 112 Ca -0.26 -0.34 0.00 0.00 0.46 0.00 0.00 57.72 57.58 2k33 n HIS 112 Cb 0.40 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 2k33 n HIS 112 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k33 n HIS 113 N -1.41 0.00 -3.61 1.57 -0.00 -1.26 -5.16 115.22 105.35 2k33 n HIS 113 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.73 2k33 n HIS 113 Cb 0.10 0.05 -0.01 0.00 -0.00 0.00 0.00 29.99 30.13 2k33 n HIS 113 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k33 s HIS 114 N -0.86 -0.09 0.17 4.41 2.46 -1.26 -5.18 115.29 114.93 2k33 s HIS 114 Ca 0.00 0.01 0.02 0.00 0.47 0.00 0.00 55.06 55.56 2k33 s HIS 114 Cb 0.00 0.53 0.03 0.00 -0.13 0.00 0.00 32.58 33.01 2k33 s HIS 114 CO 0.00 -0.26 0.23 -2.39 -2.47 0.00 0.00 174.74 169.86 2k33 n HIS 115 N -0.28 -2.94 -0.30 3.88 1.44 -1.26 -5.33 115.22 110.43 2k33 n HIS 115 Ca -0.04 -0.55 0.00 0.00 -2.01 0.00 0.00 57.72 55.12 2k33 n HIS 115 Cb 0.60 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.55 2k33 n HIS 115 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25