#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n GLN 3 N 0.00 -4.15 -0.45 6.28 7.27 -0.46 -4.84 117.38 121.03 2aw4 n GLN 3 Ca 0.00 3.21 -0.28 0.00 0.07 0.00 0.00 57.00 59.99 2aw4 n GLN 3 Cb 0.00 -3.96 0.27 0.00 2.41 0.00 0.00 30.24 28.96 2aw4 n GLN 3 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2aw4 s GLU 4 N -5.21 -1.56 4.12 3.69 1.03 -1.26 -4.55 118.70 114.95 2aw4 s GLU 4 Ca 0.00 0.70 0.00 0.00 0.03 0.00 0.00 54.97 55.70 2aw4 s GLU 4 Cb 0.00 -1.49 0.00 0.00 -0.80 0.00 0.00 34.13 31.84 2aw4 s GLU 4 CO 0.00 -4.11 0.00 1.04 -1.33 0.00 0.00 175.26 170.86 2aw4 n GLN 5 N -5.17 0.00 -1.04 -4.83 1.13 0.33 -4.95 117.38 102.84 2aw4 n GLN 5 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2aw4 n GLN 5 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.90 2aw4 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2aw4 n THR 6 N 0.00 -4.08 -2.93 5.09 -1.04 -1.26 -3.53 114.28 106.52 2aw4 n THR 6 Ca 0.00 0.59 -0.40 0.00 -2.04 0.00 0.00 64.05 62.20 2aw4 n THR 6 Cb 0.00 -3.16 -0.04 0.00 -1.82 0.00 0.00 70.33 65.30 2aw4 n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2aw4 s MET 7 N -2.11 4.49 -0.03 -2.82 -1.94 -1.26 -3.47 119.30 112.17 2aw4 s MET 7 Ca 0.00 1.08 0.05 0.00 -1.71 0.00 0.00 55.69 55.11 2aw4 s MET 7 Cb 0.00 -3.43 -0.01 0.00 2.01 0.00 0.00 34.83 33.40 2aw4 s MET 7 CO 0.00 0.09 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.40 2aw4 s LEU 8 N 0.64 2.00 0.41 -0.03 1.43 -0.54 -4.85 118.68 117.74 2aw4 s LEU 8 Ca 0.42 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2aw4 s LEU 8 Cb -0.19 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 2aw4 s LEU 8 CO 0.22 0.21 0.69 0.20 0.23 0.00 0.00 176.35 177.90 2aw4 s ASN 9 N -0.29 6.33 0.17 2.29 0.01 0.17 -0.39 114.94 123.23 2aw4 s ASN 9 Ca 0.03 0.80 -0.22 0.00 -0.71 0.00 0.00 52.86 52.76 2aw4 s ASN 9 Cb -0.09 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.31 2aw4 s ASN 9 CO 0.00 -0.42 0.72 0.68 -1.51 0.00 0.00 177.10 176.57 2aw4 s VAL 10 N -2.48 4.51 0.00 1.60 -7.23 -1.14 -0.06 120.40 115.59 2aw4 s VAL 10 Ca 0.45 1.45 0.00 0.00 -1.81 0.00 0.00 61.98 62.08 2aw4 s VAL 10 Cb -0.10 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.85 2aw4 s VAL 10 CO 0.39 0.41 0.60 0.00 -0.31 0.00 0.00 175.10 176.19 2aw4 n ALA 11 N 1.29 2.23 -3.00 1.32 0.00 -1.26 -4.82 120.51 116.27 2aw4 n ALA 11 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2aw4 n ALA 11 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2aw4 n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2aw4 n ASP 12 N -0.12 0.00 -2.91 0.00 5.75 -1.26 0.21 116.55 118.21 2aw4 n ASP 12 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.68 2aw4 n ASP 12 Cb 0.08 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.19 2aw4 n ASP 12 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2aw4 s ASN 13 N 1.00 0.24 -0.16 -1.12 2.20 -1.26 -4.79 114.94 111.05 2aw4 s ASN 13 Ca 0.00 -1.26 -0.01 0.00 -0.94 0.00 0.00 52.86 50.65 2aw4 s ASN 13 Cb 0.00 0.83 0.00 0.00 -2.00 0.00 0.00 41.25 40.08 2aw4 s ASN 13 CO 0.00 -1.64 0.16 -0.24 -2.94 0.00 0.00 177.10 172.44 2aw4 n SER 14 N -1.50 -3.38 0.00 3.54 2.88 -1.26 -4.72 113.62 109.17 2aw4 n SER 14 Ca -0.07 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2aw4 n SER 14 Cb 0.60 -2.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 2aw4 n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aw4 n GLY 15 N -1.05 0.24 3.28 0.46 0.00 -1.26 -4.15 105.19 102.71 2aw4 n GLY 15 Ca 0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2aw4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw4 n ALA 16 N 0.00 -3.78 -0.10 4.61 0.00 -1.26 -4.53 120.51 115.44 2aw4 n ALA 16 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2aw4 n ALA 16 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2aw4 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2aw4 n ARG 17 N -2.76 0.00 -1.71 0.00 5.12 -1.26 -2.14 116.66 113.91 2aw4 n ARG 17 Ca 0.02 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.51 2aw4 n ARG 17 Cb 0.59 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.88 2aw4 n ARG 17 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2aw4 n ARG 18 N 14.00 2.30 -3.76 5.56 1.85 -1.26 -2.91 116.66 132.44 2aw4 n ARG 18 Ca 0.00 0.81 -0.15 0.00 -1.00 0.00 0.00 57.85 57.51 2aw4 n ARG 18 Cb 0.00 -2.47 -0.16 0.00 -1.05 0.00 0.00 32.46 28.78 2aw4 n ARG 18 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2aw4 s VAL 19 N -0.62 -0.06 -0.21 8.89 1.01 0.47 -2.93 120.40 126.95 2aw4 s VAL 19 Ca 0.60 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 2aw4 s VAL 19 Cb -0.56 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2aw4 s VAL 19 CO 0.57 0.09 0.39 -0.32 0.00 0.00 0.00 175.10 175.83 2aw4 s MET 20 N 1.18 4.15 0.01 2.72 0.00 0.33 -1.47 119.30 126.22 2aw4 s MET 20 Ca -0.08 0.17 -0.29 0.00 0.00 0.00 0.00 55.69 55.49 2aw4 s MET 20 Cb -0.13 -3.55 -0.03 0.00 0.00 0.00 0.00 34.83 31.11 2aw4 s MET 20 CO -0.04 -0.07 0.94 0.00 0.00 0.00 0.00 175.02 175.85 2aw4 n ILE 22 N 3.72 0.00 -3.81 0.00 -5.35 -0.56 -0.51 119.36 112.85 2aw4 n ILE 22 Ca 0.04 -0.43 -0.08 0.00 -0.27 0.00 0.00 62.75 62.01 2aw4 n ILE 22 Cb 0.51 1.06 0.02 0.00 -1.74 0.00 0.00 39.64 39.49 2aw4 n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2aw4 s LYS 23 N -0.49 2.16 -0.16 6.28 2.47 -1.24 -4.78 119.74 123.99 2aw4 s LYS 23 Ca 0.00 -1.37 -0.06 0.00 -1.56 0.00 0.00 55.97 52.98 2aw4 s LYS 23 Cb 0.00 0.61 0.07 0.00 -1.46 0.00 0.00 37.83 37.06 2aw4 s LYS 23 CO 0.00 -1.01 0.33 0.08 0.16 0.00 0.00 175.35 174.91 2aw4 s VAL 24 N -2.43 -0.50 0.00 4.02 1.01 -1.26 -4.00 120.40 117.24 2aw4 s VAL 24 Ca 0.15 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2aw4 s VAL 24 Cb -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2aw4 s VAL 24 CO 0.11 0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.48 2aw4 n LEU 25 N 5.33 0.00 0.00 3.92 4.77 -1.26 -4.61 117.00 125.15 2aw4 n LEU 25 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2aw4 n LEU 25 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2aw4 n LEU 25 CO 0.02 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2aw4 n GLY 26 N 4.07 0.29 0.00 -0.72 0.00 -1.26 -4.48 105.19 103.09 2aw4 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2aw4 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 27 N -1.78 0.57 3.62 -0.02 0.00 -1.26 -4.94 105.19 101.38 2aw4 n GLY 27 Ca 0.00 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 2aw4 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aw4 s SER 28 N -4.00 6.24 0.00 1.61 1.04 -1.26 -3.47 113.70 113.86 2aw4 s SER 28 Ca 0.00 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2aw4 s SER 28 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2aw4 s SER 28 CO 0.00 -1.41 0.00 1.41 0.98 0.00 0.00 173.24 174.22 2aw4 n HIS 29 N 9.00 0.00 -1.73 5.02 8.25 -1.26 -4.99 115.22 129.50 2aw4 n HIS 29 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 2aw4 n HIS 29 Cb 0.46 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2aw4 n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2aw4 s ARG 30 N -1.84 3.80 -0.06 -0.41 1.81 -1.23 -4.80 118.95 116.23 2aw4 s ARG 30 Ca 0.00 2.29 -0.09 0.00 -1.72 0.00 0.00 55.73 56.21 2aw4 s ARG 30 Cb 0.00 -4.20 -0.05 0.00 -0.45 0.00 0.00 34.95 30.26 2aw4 s ARG 30 CO 0.00 -1.33 0.38 0.07 -0.68 0.00 0.00 175.30 173.74 2aw4 h ARG 31 N 11.85 -0.31 0.00 3.54 0.11 -1.94 -3.45 114.38 124.19 2aw4 h ARG 31 Ca -0.44 0.02 -0.60 0.00 0.10 0.00 0.00 59.98 59.06 2aw4 h ARG 31 Cb 1.22 0.07 -0.07 0.00 1.11 0.00 0.00 29.97 32.30 2aw4 h ARG 31 CO 0.96 -0.20 -0.33 0.66 0.10 0.00 0.00 179.97 181.15 2aw4 n TYR 32 N -4.85 -0.10 -3.15 4.08 4.01 -1.26 -1.35 117.16 114.54 2aw4 n TYR 32 Ca -0.04 -2.38 0.06 0.00 -0.16 0.00 0.00 57.90 55.38 2aw4 n TYR 32 Cb 0.13 -0.42 -0.01 0.00 -0.31 0.00 0.00 39.34 38.73 2aw4 n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2aw4 s ALA 33 N -2.81 -4.08 0.00 -0.72 0.00 -1.26 -4.28 121.76 108.61 2aw4 s ALA 33 Ca 0.23 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2aw4 s ALA 33 Cb -0.02 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2aw4 s ALA 33 CO 0.14 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.38 2aw4 n GLY 34 N 5.20 1.05 0.55 0.00 0.00 -1.26 -1.53 105.19 109.20 2aw4 n GLY 34 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2aw4 n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aw4 n VAL 35 N 0.00 0.00 -2.36 1.61 0.24 -1.26 -2.39 118.33 114.17 2aw4 n VAL 35 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 2aw4 n VAL 35 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 2aw4 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aw4 n GLY 36 N 0.00 1.22 3.81 7.63 0.00 -1.21 -4.16 105.19 112.47 2aw4 n GLY 36 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2aw4 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aw4 s ASP 37 N -1.35 3.96 0.18 1.61 1.01 -1.01 -4.44 116.67 116.63 2aw4 s ASP 37 Ca 0.08 1.05 -0.24 0.00 0.71 0.00 0.00 52.55 54.15 2aw4 s ASP 37 Cb 0.23 -1.67 -0.08 0.00 1.01 0.00 0.00 42.92 42.41 2aw4 s ASP 37 CO -0.07 -2.28 0.77 -0.63 0.21 0.00 0.00 175.17 173.18 2aw4 s ILE 38 N -3.28 4.41 -0.10 0.77 -1.09 -1.26 -2.93 121.20 117.73 2aw4 s ILE 38 Ca 0.63 1.62 -0.04 0.00 -2.23 0.00 0.00 60.65 60.62 2aw4 s ILE 38 Cb -0.14 -4.07 0.05 0.00 -1.58 0.00 0.00 42.46 36.72 2aw4 s ILE 38 CO 0.53 0.44 0.21 -0.63 -1.23 0.00 0.00 174.94 174.26 2aw4 s ILE 39 N -1.25 -0.15 0.00 2.92 -1.09 0.45 -4.28 121.20 117.82 2aw4 s ILE 39 Ca 0.38 0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.71 2aw4 s ILE 39 Cb -0.21 -0.34 -0.07 0.00 -1.58 0.00 0.00 42.46 40.25 2aw4 s ILE 39 CO 0.25 0.09 1.72 -0.75 -1.23 0.00 0.00 174.94 175.02 2aw4 s LYS 40 N 1.61 4.18 0.53 2.79 2.47 -1.26 0.57 119.74 130.63 2aw4 s LYS 40 Ca -0.05 2.33 0.04 0.00 -1.56 0.00 0.00 55.97 56.73 2aw4 s LYS 40 Cb -0.11 -3.91 0.02 0.00 -1.46 0.00 0.00 37.83 32.37 2aw4 s LYS 40 CO -0.07 -0.84 0.28 -1.50 0.16 0.00 0.00 175.35 173.38 2aw4 s ILE 41 N 3.70 1.52 -0.28 5.43 1.10 0.38 -1.49 121.20 131.55 2aw4 s ILE 41 Ca 0.77 -1.65 -0.01 0.00 -0.51 0.00 0.00 60.65 59.25 2aw4 s ILE 41 Cb -0.37 -2.17 0.17 0.00 0.15 0.00 0.00 42.46 40.24 2aw4 s ILE 41 CO 0.33 0.00 0.53 -0.89 -2.11 0.00 0.00 174.94 172.80 2aw4 s THR 42 N -2.80 -0.87 0.23 4.00 2.01 0.58 -2.40 115.64 116.38 2aw4 s THR 42 Ca 0.25 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 2aw4 s THR 42 Cb -0.01 -0.94 -0.10 0.00 0.01 0.00 0.00 72.50 71.46 2aw4 s THR 42 CO 0.16 -0.04 1.43 -0.63 -0.69 0.00 0.00 174.62 174.84 2aw4 s ILE 43 N 2.76 2.76 0.00 1.82 1.01 -1.25 0.12 121.20 128.42 2aw4 s ILE 43 Ca 0.18 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.45 2aw4 s ILE 43 Cb -0.15 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2aw4 s ILE 43 CO -0.20 0.09 0.12 0.29 0.00 0.00 0.00 174.94 175.24 2aw4 n LYS 44 N 2.58 3.13 0.02 2.79 5.02 -1.15 0.14 118.16 130.69 2aw4 n LYS 44 Ca 0.07 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2aw4 n LYS 44 Cb 0.40 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 2aw4 n LYS 44 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2aw4 n GLU 45 N -0.48 0.00 -1.51 1.97 1.02 -1.24 -4.91 120.64 115.49 2aw4 n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2aw4 n GLU 45 Cb 0.02 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 2aw4 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aw4 n ALA 46 N -2.69 -1.77 -1.80 0.62 0.00 -0.91 -4.86 120.51 109.10 2aw4 n ALA 46 Ca 0.00 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 2aw4 n ALA 46 Cb 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 2aw4 n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2aw4 s ILE 47 N -4.60 4.04 0.29 0.00 1.01 -1.26 -4.65 121.20 116.02 2aw4 s ILE 47 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.10 2aw4 s ILE 47 Cb 0.00 -3.67 0.30 0.00 0.01 0.00 0.00 42.46 39.10 2aw4 s ILE 47 CO 0.00 -0.12 1.66 1.55 0.00 0.00 0.00 174.94 178.03 2aw4 h PRO 48 N 2.24 0.25 0.00 2.79 0.13 -2.00 -3.41 132.00 132.00 2aw4 h PRO 48 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2aw4 h PRO 48 Cb 1.20 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2aw4 h PRO 48 CO 0.62 0.16 0.00 0.54 -0.23 0.00 0.00 178.00 179.09 2aw4 n ARG 49 N -5.18 0.90 0.00 0.86 1.74 -1.26 -5.03 116.66 108.70 2aw4 n ARG 49 Ca 0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2aw4 n ARG 49 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 2aw4 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aw4 n GLY 50 N 4.30 0.49 0.95 -0.13 0.00 -1.26 -4.71 105.19 104.83 2aw4 n GLY 50 Ca 0.00 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.29 2aw4 n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2aw4 n LYS 51 N 0.68 2.56 -3.85 1.61 0.00 -1.26 -4.76 118.16 113.14 2aw4 n LYS 51 Ca 0.00 -2.22 -0.30 0.00 0.00 0.00 0.00 58.31 55.78 2aw4 n LYS 51 Cb 0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 35.03 33.47 2aw4 n LYS 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2aw4 s VAL 52 N -1.08 1.46 0.00 3.15 1.01 -1.26 -5.12 120.40 118.56 2aw4 s VAL 52 Ca 0.34 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2aw4 s VAL 52 Cb 0.18 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2aw4 s VAL 52 CO 0.24 -0.64 0.00 2.29 0.00 0.00 0.00 175.10 176.99 2aw4 n LYS 53 N 4.60 2.63 -4.05 2.72 2.85 -1.26 -4.14 118.16 121.51 2aw4 n LYS 53 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 2aw4 n LYS 53 Cb 0.42 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.66 2aw4 n LYS 53 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2aw4 s LYS 54 N 0.00 3.31 0.00 -1.58 0.00 -1.26 -4.71 119.74 115.49 2aw4 s LYS 54 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 55.97 55.30 2aw4 s LYS 54 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 37.83 34.95 2aw4 s LYS 54 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.35 175.61 2aw4 n GLY 55 N 4.61 0.83 3.23 0.59 0.00 0.12 -4.98 105.19 109.59 2aw4 n GLY 55 Ca -0.19 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 2aw4 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aw4 s ASP 56 N -2.70 5.62 -0.46 1.61 1.01 -1.26 -4.87 116.67 115.62 2aw4 s ASP 56 Ca 0.00 -1.71 -0.26 0.00 0.71 0.00 0.00 52.55 51.29 2aw4 s ASP 56 Cb 0.00 -1.98 -0.06 0.00 1.01 0.00 0.00 42.92 41.89 2aw4 s ASP 56 CO 0.00 -0.60 2.28 -0.69 0.21 0.00 0.00 175.17 176.37 2aw4 s VAL 57 N 1.37 3.08 0.14 -1.27 1.01 -1.26 -3.89 120.40 119.58 2aw4 s VAL 57 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2aw4 s VAL 57 Cb -0.24 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 2aw4 s VAL 57 CO 0.00 -0.16 0.05 0.18 0.00 0.00 0.00 175.10 175.17 2aw4 n LEU 58 N 14.65 0.00 -4.58 3.92 4.77 -1.01 -4.99 117.00 129.77 2aw4 n LEU 58 Ca 0.33 -1.07 -0.26 0.00 -0.03 0.00 0.00 56.01 54.98 2aw4 n LEU 58 Cb 0.53 0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.84 2aw4 n LEU 58 CO 0.70 -0.16 -0.29 -1.59 -1.33 0.00 0.00 177.39 174.71 2aw4 s LYS 59 N -2.54 1.88 0.21 3.23 -2.85 -1.26 0.14 119.74 118.55 2aw4 s LYS 59 Ca 0.06 -2.05 -0.11 0.00 -1.00 0.00 0.00 55.97 52.87 2aw4 s LYS 59 Cb 0.00 -1.48 0.04 0.00 -2.06 0.00 0.00 37.83 34.33 2aw4 s LYS 59 CO 0.05 -0.06 0.55 0.00 0.10 0.00 0.00 175.35 175.99 2aw4 n ALA 60 N -0.89 -1.32 -2.34 0.59 0.00 0.19 -3.09 120.51 113.66 2aw4 n ALA 60 Ca -0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.39 2aw4 n ALA 60 Cb 0.67 0.56 -0.01 0.00 0.00 0.00 0.00 19.45 20.66 2aw4 n ALA 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2aw4 s VAL 61 N -2.37 1.95 -0.18 0.00 -7.23 -1.23 0.17 120.40 111.52 2aw4 s VAL 61 Ca 0.12 -1.44 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2aw4 s VAL 61 Cb -0.03 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.55 2aw4 s VAL 61 CO 0.06 0.00 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.04 2aw4 s VAL 62 N -2.69 1.65 -0.06 1.32 1.01 -1.15 -3.97 120.40 116.51 2aw4 s VAL 62 Ca 0.39 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2aw4 s VAL 62 Cb -0.02 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2aw4 s VAL 62 CO 0.24 0.29 -0.10 0.52 0.00 0.00 0.00 175.10 176.05 2aw4 n VAL 63 N 4.71 0.55 -3.92 2.92 0.31 -0.14 -3.35 118.33 119.41 2aw4 n VAL 63 Ca -0.16 0.38 -0.35 0.00 -0.01 0.00 0.00 64.34 64.20 2aw4 n VAL 63 Cb 0.48 -1.83 -0.14 0.00 -0.91 0.00 0.00 33.84 31.44 2aw4 n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2aw4 s ARG 64 N -1.59 2.93 -0.06 5.55 3.00 -1.26 -4.46 118.95 123.05 2aw4 s ARG 64 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 55.73 54.72 2aw4 s ARG 64 Cb 0.01 -3.06 0.02 0.00 0.00 0.00 0.00 34.95 31.92 2aw4 s ARG 64 CO 0.12 -0.39 -0.04 0.95 0.00 0.00 0.00 175.30 175.94 2aw4 s THR 65 N 1.37 0.60 0.53 0.02 -4.23 -1.26 -0.07 115.64 112.60 2aw4 s THR 65 Ca 0.01 -0.10 0.42 0.00 -1.18 0.00 0.00 61.69 60.85 2aw4 s THR 65 Cb -0.17 -0.66 0.64 0.00 1.34 0.00 0.00 72.50 73.65 2aw4 s THR 65 CO -0.03 0.27 1.65 0.11 -0.54 0.00 0.00 174.62 176.07 2aw4 h LYS 66 N 7.67 0.03 0.00 3.99 1.57 -0.72 0.08 116.57 129.18 2aw4 h LYS 66 Ca -0.30 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2aw4 h LYS 66 Cb 1.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2aw4 h LYS 66 CO 0.40 0.02 0.26 0.87 -0.57 0.00 0.00 179.45 180.42 2aw4 h LYS 67 N 0.03 0.00 0.00 3.15 1.57 -1.91 -3.42 116.57 115.98 2aw4 h LYS 67 Ca 0.81 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.59 2aw4 h LYS 67 Cb 3.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.41 2aw4 h LYS 67 CO -0.10 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.19 2aw4 n GLY 68 N -1.22 -1.06 3.32 3.86 0.00 0.02 -5.02 105.19 105.09 2aw4 n GLY 68 Ca -0.02 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 2aw4 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aw4 s VAL 69 N -1.76 -0.02 0.29 1.61 1.01 -1.03 -4.66 120.40 115.85 2aw4 s VAL 69 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2aw4 s VAL 69 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2aw4 s VAL 69 CO 0.00 0.03 0.37 0.00 0.00 0.00 0.00 175.10 175.50 2aw4 s ARG 70 N 1.34 1.66 0.00 2.72 1.70 -1.26 -0.95 118.95 124.17 2aw4 s ARG 70 Ca -0.09 -1.66 0.00 0.00 -0.47 0.00 0.00 55.73 53.51 2aw4 s ARG 70 Cb -0.08 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2aw4 s ARG 70 CO -0.13 -0.65 0.00 -2.13 -1.08 0.00 0.00 175.30 171.31 2aw4 n ARG 71 N -0.47 0.00 0.00 3.89 0.00 -1.25 -5.02 116.66 113.81 2aw4 n ARG 71 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2aw4 n ARG 71 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 2aw4 n ARG 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2aw4 n PRO 72 N 0.00 0.00 -0.38 -0.14 -0.02 -1.26 0.16 135.00 133.35 2aw4 n PRO 72 Ca 0.00 0.00 0.30 0.00 -2.02 0.00 0.00 63.50 61.78 2aw4 n PRO 72 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 33.50 33.95 2aw4 n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2aw4 n ASP 73 N -0.43 0.05 0.00 2.55 5.68 -1.26 -4.69 116.55 118.45 2aw4 n ASP 73 Ca 0.00 0.71 0.00 0.00 -0.50 0.00 0.00 54.79 55.00 2aw4 n ASP 73 Cb 0.00 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 2aw4 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aw4 n GLY 74 N -1.47 0.91 3.59 6.12 0.00 0.12 -5.07 105.19 109.38 2aw4 n GLY 74 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2aw4 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aw4 n SER 75 N 0.00 -0.20 -4.21 1.61 3.41 -1.26 -4.66 113.62 108.31 2aw4 n SER 75 Ca 0.00 0.49 -0.22 0.00 -0.26 0.00 0.00 58.87 58.89 2aw4 n SER 75 Cb 0.00 -1.38 -0.13 0.00 -0.26 0.00 0.00 64.21 62.44 2aw4 n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2aw4 s VAL 76 N -2.25 1.37 -0.31 -3.33 1.01 -1.26 -3.82 120.40 111.81 2aw4 s VAL 76 Ca 0.67 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2aw4 s VAL 76 Cb -0.27 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 34.92 2aw4 s VAL 76 CO 0.57 -0.02 0.02 -0.63 0.00 0.00 0.00 175.10 175.04 2aw4 s ILE 77 N -1.01 3.03 -0.06 2.22 1.01 -0.12 -4.96 121.20 121.31 2aw4 s ILE 77 Ca 0.03 -1.42 0.02 0.00 0.00 0.00 0.00 60.65 59.28 2aw4 s ILE 77 Cb -0.09 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2aw4 s ILE 77 CO 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 174.94 174.72 2aw4 s ARG 78 N 1.25 2.67 -0.13 2.79 1.70 -1.26 -2.45 118.95 123.52 2aw4 s ARG 78 Ca -0.04 -0.60 0.02 0.00 -0.47 0.00 0.00 55.73 54.65 2aw4 s ARG 78 Cb -0.20 -2.52 0.01 0.00 -0.57 0.00 0.00 34.95 31.67 2aw4 s ARG 78 CO -0.01 0.65 -0.20 -0.06 -1.08 0.00 0.00 175.30 174.60 2aw4 s PHE 79 N -0.78 2.46 -0.73 5.89 0.40 -1.26 -5.00 117.98 118.96 2aw4 s PHE 79 Ca 0.12 -1.20 -0.21 0.00 -0.60 0.00 0.00 56.93 55.04 2aw4 s PHE 79 Cb -0.11 -1.69 0.10 0.00 0.51 0.00 0.00 43.02 41.82 2aw4 s PHE 79 CO 0.01 -0.56 0.97 0.16 0.70 0.00 0.00 175.22 176.51 2aw4 s ASP 80 N 0.82 6.32 0.00 1.36 -4.77 -1.26 -0.65 116.67 118.49 2aw4 s ASP 80 Ca -0.08 -1.40 0.00 0.00 -3.30 0.00 0.00 52.55 47.77 2aw4 s ASP 80 Cb -0.16 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 2aw4 s ASP 80 CO -0.01 -1.27 0.00 0.61 0.70 0.00 0.00 175.17 175.20 2aw4 n GLY 81 N 5.37 -1.22 2.78 2.12 0.00 -1.26 -4.97 105.19 108.02 2aw4 n GLY 81 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 2aw4 n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aw4 s ASN 82 N -3.02 -0.45 0.05 1.61 0.01 -1.00 -2.84 114.94 109.30 2aw4 s ASN 82 Ca 0.00 -1.76 -0.29 0.00 -0.71 0.00 0.00 52.86 50.10 2aw4 s ASN 82 Cb 0.00 1.24 -0.05 0.00 0.41 0.00 0.00 41.25 42.85 2aw4 s ASN 82 CO 0.00 -0.14 0.92 0.00 -1.51 0.00 0.00 177.10 176.37 2aw4 s ALA 83 N 1.02 3.24 0.00 0.60 0.00 0.90 0.44 121.76 127.97 2aw4 s ALA 83 Ca 0.25 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2aw4 s ALA 83 Cb -0.03 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2aw4 s ALA 83 CO -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 175.76 175.60 2aw4 n VAL 85 N 0.00 -0.49 -1.09 0.00 0.31 -1.26 -3.71 118.33 112.10 2aw4 n VAL 85 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 2aw4 n VAL 85 Cb 0.00 -1.30 0.06 0.00 -0.91 0.00 0.00 33.84 31.69 2aw4 n VAL 85 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2aw4 n LEU 86 N -0.28 -1.84 -4.00 7.52 4.77 -1.26 -3.52 117.00 118.39 2aw4 n LEU 86 Ca 0.00 0.44 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 2aw4 n LEU 86 Cb 0.11 -1.04 -0.15 0.00 -2.33 0.00 0.00 43.42 40.00 2aw4 n LEU 86 CO 0.00 -4.23 -0.43 -0.76 -1.33 0.00 0.00 177.39 170.64 2aw4 s LEU 87 N 2.48 1.88 -0.09 2.23 1.43 -1.18 -2.99 118.68 122.43 2aw4 s LEU 87 Ca 0.56 -0.16 -0.32 0.00 -1.03 0.00 0.00 54.13 53.18 2aw4 s LEU 87 Cb -0.30 -0.48 -0.09 0.00 0.03 0.00 0.00 46.19 45.35 2aw4 s LEU 87 CO 0.68 0.08 2.01 -0.46 0.23 0.00 0.00 176.35 178.89 2aw4 n ASN 88 N 3.12 3.57 0.00 2.29 6.94 0.23 -4.55 115.26 126.86 2aw4 n ASN 88 Ca -0.16 0.74 0.00 0.00 -0.02 0.00 0.00 54.58 55.14 2aw4 n ASN 88 Cb 0.56 -1.46 0.00 0.00 -2.36 0.00 0.00 39.78 36.52 2aw4 n ASN 88 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2aw4 n ASN 89 N 8.27 0.00 0.25 0.53 3.02 -1.26 -3.28 115.26 122.79 2aw4 n ASN 89 Ca 0.25 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.91 2aw4 n ASN 89 Cb 0.36 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.21 2aw4 n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2aw4 h ASN 90 N 0.00 0.00 -2.74 6.41 -1.07 -1.99 -2.79 115.58 113.40 2aw4 h ASN 90 Ca 0.00 0.00 -0.78 0.00 0.07 0.00 0.00 56.30 55.59 2aw4 h ASN 90 Cb 0.00 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 36.02 2aw4 h ASN 90 CO 0.00 0.14 0.99 -1.20 0.07 0.00 0.00 177.43 177.43 2aw4 n SER 91 N -3.69 5.56 -4.57 6.14 7.64 -1.26 -4.99 113.62 118.45 2aw4 n SER 91 Ca -0.02 -3.11 -0.48 0.00 1.01 0.00 0.00 58.87 56.27 2aw4 n SER 91 Cb 0.26 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 61.99 2aw4 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2aw4 n GLU 92 N 3.41 1.11 0.00 1.43 -0.58 -1.05 -4.74 120.64 120.21 2aw4 n GLU 92 Ca 0.30 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 2aw4 n GLU 92 Cb 0.38 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2aw4 n GLU 92 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2aw4 n GLN 93 N 1.59 0.00 -2.09 3.49 0.00 -1.21 -4.99 117.38 114.17 2aw4 n GLN 93 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.74 2aw4 n GLN 93 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.46 2aw4 n GLN 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2aw4 s PRO 94 N -1.62 3.03 0.43 3.69 0.04 -1.26 0.76 135.00 140.08 2aw4 s PRO 94 Ca 0.00 0.90 -0.24 0.00 0.04 0.00 0.00 61.00 61.70 2aw4 s PRO 94 Cb 0.00 -4.26 -0.08 0.00 0.04 0.00 0.00 34.50 30.20 2aw4 s PRO 94 CO 0.00 -2.23 1.20 -1.50 0.04 0.00 0.00 177.00 174.51 2aw4 s ILE 95 N 7.65 2.98 -2.57 0.56 2.07 -1.16 -4.77 121.20 125.95 2aw4 s ILE 95 Ca 0.69 0.79 0.00 0.00 -1.41 0.00 0.00 60.65 60.72 2aw4 s ILE 95 Cb -0.16 -3.43 0.00 0.00 0.13 0.00 0.00 42.46 39.01 2aw4 s ILE 95 CO 0.27 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 2aw4 n GLY 96 N 0.57 0.65 0.91 1.50 0.00 -1.26 -4.66 105.19 102.89 2aw4 n GLY 96 Ca 0.06 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2aw4 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aw4 n THR 97 N 4.63 0.00 -4.29 2.61 -2.24 -1.26 -5.05 114.28 108.68 2aw4 n THR 97 Ca 0.00 0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 2aw4 n THR 97 Cb 0.00 -1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 2aw4 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aw4 s ARG 98 N -0.98 2.22 0.09 -0.78 3.03 -1.26 -5.06 118.95 116.20 2aw4 s ARG 98 Ca 0.00 -2.14 0.07 0.00 2.03 0.00 0.00 55.73 55.69 2aw4 s ARG 98 Cb 0.00 -1.84 -0.03 0.00 -1.03 0.00 0.00 34.95 32.05 2aw4 s ARG 98 CO 0.00 -0.41 -0.18 0.42 -1.13 0.00 0.00 175.30 174.00 2aw4 s ILE 99 N -2.78 1.45 0.28 4.99 1.09 -1.26 -4.29 121.20 120.69 2aw4 s ILE 99 Ca 0.24 -1.42 0.06 0.00 -1.10 0.00 0.00 60.65 58.43 2aw4 s ILE 99 Cb 0.01 -1.34 -0.02 0.00 -1.06 0.00 0.00 42.46 40.04 2aw4 s ILE 99 CO 0.14 -0.12 0.37 -0.36 -0.10 0.00 0.00 174.94 174.87 2aw4 s PHE 100 N -1.19 3.23 0.00 3.97 0.40 0.57 -3.22 117.98 121.73 2aw4 s PHE 100 Ca 0.03 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2aw4 s PHE 100 Cb -0.10 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.71 2aw4 s PHE 100 CO 0.03 0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.63 2aw4 n GLY 101 N -1.46 0.01 3.86 4.36 0.00 -1.26 -4.85 105.19 105.86 2aw4 n GLY 101 Ca -0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2aw4 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aw4 s PRO 102 N 0.00 1.85 0.26 1.61 0.04 -1.26 -4.46 135.00 133.04 2aw4 s PRO 102 Ca 0.00 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.34 2aw4 s PRO 102 Cb 0.00 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2aw4 s PRO 102 CO 0.00 -1.70 0.25 1.33 0.04 0.00 0.00 177.00 176.92 2aw4 n VAL 103 N -3.42 0.00 -4.07 -0.36 0.24 -1.00 -4.85 118.33 104.87 2aw4 n VAL 103 Ca 0.07 -1.83 -0.29 0.00 -2.04 0.00 0.00 64.34 60.25 2aw4 n VAL 103 Cb 0.60 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 2aw4 n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2aw4 s THR 104 N -3.01 4.44 -0.68 3.34 -4.23 -1.26 -4.64 115.64 109.60 2aw4 s THR 104 Ca 0.30 -0.90 0.23 0.00 -1.18 0.00 0.00 61.69 60.14 2aw4 s THR 104 Cb 0.01 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.91 2aw4 s THR 104 CO 0.21 0.05 1.71 -2.11 -0.54 0.00 0.00 174.62 173.94 2aw4 n ARG 105 N 0.21 0.16 0.06 3.99 1.85 -1.26 -2.02 116.66 119.65 2aw4 n ARG 105 Ca -0.09 0.30 0.06 0.00 -1.00 0.00 0.00 57.85 57.12 2aw4 n ARG 105 Cb 0.53 -1.76 -0.05 0.00 -1.05 0.00 0.00 32.46 30.13 2aw4 n ARG 105 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2aw4 n GLU 106 N -2.05 0.62 0.24 2.89 4.71 -1.26 -3.60 120.64 122.19 2aw4 n GLU 106 Ca 0.04 0.14 0.10 0.00 -0.01 0.00 0.00 57.16 57.43 2aw4 n GLU 106 Cb 0.28 -1.79 0.61 0.00 -1.01 0.00 0.00 31.44 29.54 2aw4 n GLU 106 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2aw4 h LEU 107 N 0.00 0.00 0.00 -4.62 5.85 -1.77 -1.36 115.31 113.41 2aw4 h LEU 107 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2aw4 h LEU 107 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2aw4 h LEU 107 CO 0.02 0.18 0.00 -2.11 -0.34 0.00 0.00 178.44 176.19 2aw4 n ARG 108 N -3.66 0.33 -1.38 1.25 1.85 -1.21 -4.53 116.66 109.31 2aw4 n ARG 108 Ca -0.01 0.00 -0.52 0.00 -1.00 0.00 0.00 57.85 56.32 2aw4 n ARG 108 Cb 0.30 -1.12 -0.10 0.00 -1.05 0.00 0.00 32.46 30.49 2aw4 n ARG 108 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2aw4 n SER 109 N -0.62 1.27 0.00 2.89 3.41 -0.52 -4.52 113.62 115.53 2aw4 n SER 109 Ca 0.02 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2aw4 n SER 109 Cb 0.01 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2aw4 n SER 109 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aw4 n GLU 110 N 8.01 0.00 0.15 4.33 4.71 -1.26 0.43 120.64 137.00 2aw4 n GLU 110 Ca 0.51 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.73 2aw4 n GLU 110 Cb 0.10 0.00 0.38 0.00 -1.01 0.00 0.00 31.44 30.92 2aw4 n GLU 110 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2aw4 n LYS 111 N 0.00 0.09 0.00 3.49 5.02 -1.26 -3.74 118.16 121.76 2aw4 n LYS 111 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 2aw4 n LYS 111 Cb 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 2aw4 n LYS 111 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2aw4 n PHE 112 N -2.04 0.00 0.00 2.13 0.99 0.17 -4.91 117.46 113.80 2aw4 n PHE 112 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2aw4 n PHE 112 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.72 2aw4 n PHE 112 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2aw4 n MET 113 N 0.00 0.00 0.00 -1.08 2.81 -1.25 -4.80 117.12 112.81 2aw4 n MET 113 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2aw4 n MET 113 Cb 0.00 -0.04 0.00 0.00 -0.71 0.00 0.00 33.22 32.47 2aw4 n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2aw4 n LYS 114 N 0.00 0.00 -0.22 0.03 3.00 -1.26 -3.12 118.16 116.59 2aw4 n LYS 114 Ca 0.00 0.47 0.21 0.00 -0.00 0.00 0.00 58.31 58.98 2aw4 n LYS 114 Cb 0.00 -1.40 0.39 0.00 0.00 0.00 0.00 35.03 34.02 2aw4 n LYS 114 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2aw4 n ILE 115 N -1.81 -0.29 0.85 3.15 3.06 -1.26 -0.92 119.36 122.13 2aw4 n ILE 115 Ca 0.00 1.41 0.13 0.00 -2.50 0.00 0.00 62.75 61.79 2aw4 n ILE 115 Cb 0.00 -2.27 0.54 0.00 0.54 0.00 0.00 39.64 38.45 2aw4 n ILE 115 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 2aw4 n ILE 116 N -4.60 0.26 0.33 9.51 -5.35 -1.18 -2.54 119.36 115.79 2aw4 n ILE 116 Ca 0.25 -0.01 0.06 0.00 -0.27 0.00 0.00 62.75 62.77 2aw4 n ILE 116 Cb 0.85 -0.60 0.21 0.00 -1.74 0.00 0.00 39.64 38.36 2aw4 n ILE 116 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2aw4 n SER 117 N -1.66 2.90 -3.44 7.28 3.41 -0.10 -4.84 113.62 117.16 2aw4 n SER 117 Ca 0.06 -2.23 -0.21 0.00 -0.26 0.00 0.00 58.87 56.23 2aw4 n SER 117 Cb 0.33 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 2aw4 n SER 117 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aw4 n LEU 118 N 0.58 0.00 -3.67 1.04 4.32 -1.05 -4.85 117.00 113.36 2aw4 n LEU 118 Ca 0.15 -3.18 -0.25 0.00 -0.02 0.00 0.00 56.01 52.72 2aw4 n LEU 118 Cb 0.55 1.49 0.07 0.00 -1.62 0.00 0.00 43.42 43.90 2aw4 n LEU 118 CO 0.14 -0.52 0.19 0.00 -1.22 0.00 0.00 177.39 175.98 2aw4 n ALA 119 N -0.80 -1.39 0.00 -1.18 0.00 -1.20 -4.46 120.51 111.47 2aw4 n ALA 119 Ca -0.13 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2aw4 n ALA 119 Cb 0.61 -4.88 0.00 0.00 0.00 0.00 0.00 19.45 15.18 2aw4 n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2aw4 n PRO 120 N -4.83 0.00 0.00 0.00 -0.02 -1.26 -4.36 135.00 124.53 2aw4 n PRO 120 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2aw4 n PRO 120 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 2aw4 n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2aw4 n GLU 121 N 0.00 0.00 -0.44 -0.52 1.02 -1.26 -4.80 120.64 114.63 2aw4 n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2aw4 n GLU 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2aw4 n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59