#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avu s PHE 2 N 0.00 2.78 0.06 2.11 0.08 -1.26 -0.27 117.98 121.48 1avu s PHE 2 Ca 0.00 1.33 -0.26 0.00 0.12 0.00 0.00 56.93 58.12 1avu s PHE 2 Cb 0.00 -3.80 -0.06 0.00 -0.57 0.00 0.00 43.02 38.60 1avu s PHE 2 CO 0.00 -2.36 0.80 0.08 -0.10 0.00 0.00 175.22 173.63 1avu s VAL 3 N -1.18 4.69 -0.08 -0.44 1.01 -0.24 -4.79 120.40 119.37 1avu s VAL 3 Ca 0.54 1.70 0.04 0.00 0.00 0.00 0.00 61.98 64.25 1avu s VAL 3 Cb -0.41 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 1avu s VAL 3 CO 0.55 0.36 -0.19 -0.76 0.00 0.00 0.00 175.10 175.06 1avu s LEU 4 N -0.06 2.40 0.49 3.92 1.43 -1.26 -0.73 118.68 124.87 1avu s LEU 4 Ca 0.40 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 1avu s LEU 4 Cb -0.21 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 1avu s LEU 4 CO 0.24 0.23 1.04 1.51 0.23 0.00 0.00 176.35 179.61 1avu s ASP 5 N -0.08 6.28 0.00 2.29 1.47 0.31 -4.67 116.67 122.27 1avu s ASP 5 Ca -0.04 1.94 0.00 0.00 1.18 0.00 0.00 52.55 55.63 1avu s ASP 5 Cb -0.14 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.88 1avu s ASP 5 CO 0.04 -0.83 0.00 -0.46 0.68 0.00 0.00 175.17 174.61 1avu n ASN 6 N -1.03 0.00 -0.49 2.11 0.23 -0.47 0.21 115.26 115.81 1avu n ASN 6 Ca 0.09 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.21 1avu n ASN 6 Cb 0.52 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.38 1avu n ASN 6 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1avu n GLU 7 N 0.55 2.60 -1.93 -3.83 1.02 -1.26 -4.97 120.64 112.82 1avu n GLU 7 Ca 0.00 -2.32 -0.16 0.00 -0.02 0.00 0.00 57.16 54.66 1avu n GLU 7 Cb 0.00 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 29.93 1avu n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1avu n GLY 8 N -0.40 0.57 3.62 0.62 0.00 0.57 -5.02 105.19 105.15 1avu n GLY 8 Ca 0.14 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1avu n GLY 8 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1avu s ASN 9 N -2.52 5.05 0.41 1.61 0.01 -1.21 -4.85 114.94 113.44 1avu s ASN 9 Ca 0.00 0.04 -0.25 0.00 -0.71 0.00 0.00 52.86 51.94 1avu s ASN 9 Cb 0.00 -1.53 -0.08 0.00 0.41 0.00 0.00 41.25 40.05 1avu s ASN 9 CO 0.00 0.31 1.25 -2.16 -1.51 0.00 0.00 177.10 175.00 1avu s PRO 10 N -0.49 3.96 -0.01 -0.60 0.04 -1.26 0.12 135.00 136.76 1avu s PRO 10 Ca 0.08 2.04 -0.33 0.00 0.04 0.00 0.00 61.00 62.83 1avu s PRO 10 Cb -0.12 -2.70 -0.12 0.00 0.04 0.00 0.00 34.50 31.60 1avu s PRO 10 CO 0.02 -0.46 1.85 1.28 0.04 0.00 0.00 177.00 179.73 1avu n LEU 11 N 0.06 3.55 -4.73 -3.56 4.32 0.09 -4.75 117.00 111.97 1avu n LEU 11 Ca 0.04 0.98 -0.42 0.00 -0.02 0.00 0.00 56.01 56.60 1avu n LEU 11 Cb 0.45 -1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 40.80 1avu n LEU 11 CO 0.54 -0.03 1.08 -1.61 -1.22 0.00 0.00 177.39 176.14 1avu s GLU 12 N 3.53 4.31 -0.32 3.23 8.01 -1.26 -1.91 118.70 134.30 1avu s GLU 12 Ca 0.89 2.16 -0.28 0.00 0.01 0.00 0.00 54.97 57.75 1avu s GLU 12 Cb -0.64 -3.19 -0.03 0.00 -4.31 0.00 0.00 34.13 25.96 1avu s GLU 12 CO 0.47 -0.41 1.97 1.21 0.01 0.00 0.00 175.26 178.51 1avu s ASN 13 N 0.78 5.64 0.00 -0.19 2.47 -0.20 -2.44 114.94 120.99 1avu s ASN 13 Ca 0.62 1.43 0.00 0.00 0.42 0.00 0.00 52.86 55.34 1avu s ASN 13 Cb -0.39 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 36.89 1avu s ASN 13 CO 0.35 -1.89 0.00 0.61 -3.72 0.00 0.00 177.10 172.45 1avu n GLY 14 N 5.58 1.23 3.75 1.21 0.00 0.57 -4.95 105.19 112.57 1avu n GLY 14 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1avu n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1avu s GLY 15 N -2.00 1.83 -0.19 -0.02 0.00 -1.02 -4.76 107.32 101.16 1avu s GLY 15 Ca 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 44.72 42.93 1avu s GLY 15 CO 0.00 -1.70 0.01 -1.59 0.00 0.00 0.00 173.10 169.82 1avu s THR 16 N -2.37 4.12 0.03 0.90 2.01 -1.26 -1.12 115.64 117.96 1avu s THR 16 Ca 0.37 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1avu s THR 16 Cb -0.04 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1avu s THR 16 CO 0.23 0.45 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.19 1avu s TYR 17 N 0.73 0.93 0.18 4.92 2.02 -0.76 0.10 117.35 125.47 1avu s TYR 17 Ca 0.00 -0.35 -0.26 0.00 -0.37 0.00 0.00 57.07 56.09 1avu s TYR 17 Cb -0.14 -0.56 -0.08 0.00 -0.40 0.00 0.00 41.96 40.78 1avu s TYR 17 CO 0.02 -0.01 0.80 0.71 -1.57 0.00 0.00 175.55 175.51 1avu s TYR 18 N -0.89 3.92 -0.89 2.71 2.02 0.04 -0.38 117.35 123.88 1avu s TYR 18 Ca -0.02 1.68 -0.10 0.00 -0.37 0.00 0.00 57.07 58.26 1avu s TYR 18 Cb -0.08 -2.80 0.23 0.00 -0.40 0.00 0.00 41.96 38.91 1avu s TYR 18 CO 0.01 0.50 0.83 0.42 -1.57 0.00 0.00 175.55 175.74 1avu s ILE 19 N -1.16 5.39 0.71 2.71 1.01 -1.26 0.12 121.20 128.72 1avu s ILE 19 Ca 0.37 -2.93 -0.11 0.00 0.00 0.00 0.00 60.65 57.98 1avu s ILE 19 Cb -0.23 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 37.93 1avu s ILE 19 CO 0.27 -1.06 1.06 -0.76 0.00 0.00 0.00 174.94 174.45 1avu s LEU 20 N -0.41 3.08 0.66 2.97 1.43 0.24 -3.44 118.68 123.21 1avu s LEU 20 Ca 0.22 1.59 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 1avu s LEU 20 Cb -0.11 -4.44 0.12 0.00 0.03 0.00 0.00 46.19 41.79 1avu s LEU 20 CO -0.08 -1.51 0.91 -0.55 0.23 0.00 0.00 176.35 175.35 1avu s SER 21 N -3.80 4.66 -0.23 2.29 0.15 -1.26 -0.63 113.70 114.88 1avu s SER 21 Ca 0.58 -0.67 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 1avu s SER 21 Cb -0.14 0.26 -0.17 0.00 -1.71 0.00 0.00 66.02 64.25 1avu s SER 21 CO 0.55 -1.66 -0.04 -0.90 1.20 0.00 0.00 173.24 172.39 1avu n ASP 22 N -2.57 1.96 -4.50 5.45 5.75 -1.19 -4.56 116.55 116.90 1avu n ASP 22 Ca 0.16 0.26 -0.43 0.00 -0.01 0.00 0.00 54.79 54.77 1avu n ASP 22 Cb 0.61 -0.80 -0.07 0.00 -1.03 0.00 0.00 41.12 39.83 1avu n ASP 22 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1avu n ILE 23 N -4.01 0.06 0.31 2.12 5.41 -1.26 -4.84 119.36 117.15 1avu n ILE 23 Ca -0.43 -0.40 0.07 0.00 1.00 0.00 0.00 62.75 62.99 1avu n ILE 23 Cb 0.87 -1.82 0.29 0.00 -0.71 0.00 0.00 39.64 38.27 1avu n ILE 23 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1avu n THR 24 N 7.57 1.24 0.15 1.39 -2.24 -1.26 -0.31 114.28 120.82 1avu n THR 24 Ca 0.45 0.37 0.04 0.00 -2.27 0.00 0.00 64.05 62.64 1avu n THR 24 Cb 0.30 -1.25 0.18 0.00 -2.10 0.00 0.00 70.33 67.46 1avu n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1avu n ALA 25 N -1.58 1.18 -2.46 6.98 0.00 -1.26 -4.68 120.51 118.69 1avu n ALA 25 Ca 0.02 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1avu n ALA 25 Cb 0.12 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 1avu n ALA 25 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1avu s PHE 26 N -3.10 0.96 0.00 0.00 0.08 0.58 -4.25 117.98 112.25 1avu s PHE 26 Ca 0.01 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1avu s PHE 26 Cb 0.03 -0.54 0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1avu s PHE 26 CO 0.11 -0.05 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 1avu n GLY 27 N 0.54 5.16 3.87 4.36 0.00 -0.35 -4.43 105.19 114.34 1avu n GLY 27 Ca -0.16 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 1avu n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1avu s GLY 28 N -0.47 1.72 -0.00 -0.02 0.00 0.28 -4.06 107.32 104.78 1avu s GLY 28 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 43.44 1avu s GLY 28 CO 0.00 -0.33 0.61 -0.42 0.00 0.00 0.00 173.10 172.96 1avu s ILE 29 N -3.70 4.90 0.03 0.90 -1.09 -1.22 0.11 121.20 121.13 1avu s ILE 29 Ca 0.72 1.28 -0.00 0.00 -2.23 0.00 0.00 60.65 60.41 1avu s ILE 29 Cb -0.06 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1avu s ILE 29 CO 0.53 0.41 0.05 -2.11 -1.23 0.00 0.00 174.94 172.59 1avu n ARG 30 N 2.74 0.07 -4.64 2.79 1.85 0.16 -1.69 116.66 117.94 1avu n ARG 30 Ca -0.06 -0.26 -0.34 0.00 -1.00 0.00 0.00 57.85 56.19 1avu n ARG 30 Cb 0.51 0.25 -0.11 0.00 -1.05 0.00 0.00 32.46 32.06 1avu n ARG 30 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1avu s ALA 31 N -1.65 2.96 0.00 2.89 0.00 -1.26 0.15 121.76 124.85 1avu s ALA 31 Ca 0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 1avu s ALA 31 Cb -0.00 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1avu s ALA 31 CO 0.02 0.57 0.13 0.00 0.00 0.00 0.00 175.76 176.48 1avu s ALA 32 N -0.79 -0.31 0.52 0.00 0.00 -0.17 -4.90 121.76 116.11 1avu s ALA 32 Ca 0.12 -0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 1avu s ALA 32 Cb -0.11 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 1avu s ALA 32 CO 0.01 -0.20 1.18 -2.14 0.00 0.00 0.00 175.76 174.62 1avu s PRO 33 N -1.33 3.42 -0.23 0.00 0.02 -1.26 -1.13 135.00 134.50 1avu s PRO 33 Ca -0.14 1.79 -0.06 0.00 0.02 0.00 0.00 61.00 62.61 1avu s PRO 33 Cb -0.07 -2.18 0.11 0.00 0.02 0.00 0.00 34.50 32.38 1avu s PRO 33 CO 0.01 -0.83 0.44 0.99 -0.33 0.00 0.00 177.00 177.28 1avu s THR 34 N -1.59 -0.69 0.00 0.99 2.01 -1.26 -4.95 115.64 110.14 1avu s THR 34 Ca 0.70 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1avu s THR 34 Cb -0.29 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1avu s THR 34 CO 0.34 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1avu n GLY 35 N 5.39 3.39 1.31 4.40 0.00 -1.26 -3.73 105.19 114.69 1avu n GLY 35 Ca -0.07 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1avu n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1avu n ASN 36 N 4.09 3.60 -4.84 1.61 3.02 -1.26 -4.78 115.26 116.70 1avu n ASN 36 Ca 0.00 -2.55 -0.37 0.00 -0.03 0.00 0.00 54.58 51.63 1avu n ASN 36 Cb 0.00 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.50 1avu n ASN 36 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1avu s GLU 37 N -1.96 3.89 -0.20 3.52 -1.05 -1.24 -5.00 118.70 116.65 1avu s GLU 37 Ca 0.30 0.37 0.18 0.00 -0.15 0.00 0.00 54.97 55.67 1avu s GLU 37 Cb 0.23 -3.15 -0.25 0.00 -0.44 0.00 0.00 34.13 30.53 1avu s GLU 37 CO 0.08 0.64 0.07 0.54 0.95 0.00 0.00 175.26 177.55 1avu n ARG 38 N 1.52 0.69 -2.94 -4.83 3.00 -1.26 -4.33 116.66 108.51 1avu n ARG 38 Ca -0.12 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.40 1avu n ARG 38 Cb 0.52 -1.52 -0.05 0.00 0.00 0.00 0.00 32.46 31.41 1avu n ARG 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1avu s PRO 40 N -3.42 3.61 -0.00 0.00 0.04 -1.26 -4.23 135.00 129.73 1avu s PRO 40 Ca 0.54 -1.27 0.14 0.00 0.04 0.00 0.00 61.00 60.44 1avu s PRO 40 Cb -0.10 -5.38 -0.17 0.00 0.04 0.00 0.00 34.50 28.89 1avu s PRO 40 CO 0.24 -2.30 0.52 1.28 0.04 0.00 0.00 177.00 176.78 1avu n LEU 41 N 9.09 0.50 -4.77 -3.56 4.77 -1.16 -4.38 117.00 117.48 1avu n LEU 41 Ca 0.37 -0.38 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 1avu n LEU 41 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1avu n LEU 41 CO 0.68 0.12 0.29 -0.89 -1.33 0.00 0.00 177.39 176.27 1avu s THR 42 N -2.46 4.89 -0.41 -5.08 2.01 -0.28 -0.21 115.64 114.10 1avu s THR 42 Ca 0.03 1.25 -0.24 0.00 0.31 0.00 0.00 61.69 63.03 1avu s THR 42 Cb 0.10 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1avu s THR 42 CO 0.57 0.43 0.86 -0.69 -0.69 0.00 0.00 174.62 175.10 1avu s VAL 43 N -0.28 4.61 0.19 3.82 1.01 -1.18 -1.00 120.40 127.58 1avu s VAL 43 Ca 0.31 0.84 0.10 0.00 0.00 0.00 0.00 61.98 63.23 1avu s VAL 43 Cb -0.18 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1avu s VAL 43 CO 0.17 -0.62 -0.18 0.68 0.00 0.00 0.00 175.10 175.15 1avu s VAL 44 N 3.40 2.69 -0.15 2.92 -7.23 0.12 -2.08 120.40 120.07 1avu s VAL 44 Ca 0.34 -1.87 -0.21 0.00 -1.81 0.00 0.00 61.98 58.43 1avu s VAL 44 Cb -0.12 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1avu s VAL 44 CO 0.21 -0.11 0.63 -1.58 -0.31 0.00 0.00 175.10 173.94 1avu s GLN 45 N -2.72 4.29 0.47 4.82 0.74 -0.98 0.40 119.66 126.68 1avu s GLN 45 Ca 0.22 0.67 -0.24 0.00 0.05 0.00 0.00 55.36 56.07 1avu s GLN 45 Cb -0.08 -3.52 -0.08 0.00 1.10 0.00 0.00 33.01 30.42 1avu s GLN 45 CO 0.12 -0.11 1.19 0.45 -0.55 0.00 0.00 175.29 176.39 1avu n SER 46 N 4.54 2.06 0.02 6.67 2.88 0.31 -4.57 113.62 125.53 1avu n SER 46 Ca -0.02 1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 58.48 1avu n SER 46 Cb 0.50 -1.47 -0.12 0.00 -0.75 0.00 0.00 64.21 62.38 1avu n SER 46 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1avu h ARG 47 N 1.63 0.00 -6.38 -1.46 -0.00 -1.89 -0.93 114.38 105.36 1avu h ARG 47 Ca -0.48 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.46 1avu h ARG 47 Cb 1.31 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.22 1avu h ARG 47 CO 0.57 0.62 1.10 1.21 0.00 0.00 0.00 179.97 183.48 1avu s ASN 48 N -6.26 6.09 0.20 7.04 2.47 -1.26 -4.25 114.94 118.97 1avu s ASN 48 Ca -0.02 0.16 0.14 0.00 0.42 0.00 0.00 52.86 53.56 1avu s ASN 48 Cb 0.09 -2.55 0.74 0.00 -1.45 0.00 0.00 41.25 38.08 1avu s ASN 48 CO 0.82 -1.76 1.42 -1.84 -3.72 0.00 0.00 177.10 172.01 1avu n GLU 49 N 8.80 0.09 0.00 0.43 0.00 -1.26 0.57 120.64 129.26 1avu n GLU 49 Ca 0.11 0.58 0.13 0.00 0.00 0.00 0.00 57.16 57.99 1avu n GLU 49 Cb 0.49 -1.79 0.44 0.00 0.00 0.00 0.00 31.44 30.59 1avu n GLU 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1avu n LEU 50 N -1.98 1.31 -4.53 -1.84 4.32 -1.26 -4.62 117.00 108.41 1avu n LEU 50 Ca -0.01 -0.40 -0.42 0.00 -0.02 0.00 0.00 56.01 55.16 1avu n LEU 50 Cb 0.02 -0.06 -0.08 0.00 -1.62 0.00 0.00 43.42 41.69 1avu n LEU 50 CO 0.06 0.23 0.21 -0.62 -1.22 0.00 0.00 177.39 176.05 1avu s ASP 51 N -2.24 6.27 0.00 -1.43 2.15 0.19 -4.96 116.67 116.66 1avu s ASP 51 Ca 0.31 -0.29 0.24 0.00 0.43 0.00 0.00 52.55 53.24 1avu s ASP 51 Cb 0.20 -2.26 1.11 0.00 -0.30 0.00 0.00 42.92 41.67 1avu s ASP 51 CO 0.42 -0.56 1.80 0.29 -0.17 0.00 0.00 175.17 176.95 1avu n LYS 52 N 5.78 0.12 0.00 4.34 5.02 -1.26 0.10 118.16 132.26 1avu n LYS 52 Ca -0.05 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1avu n LYS 52 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1avu n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1avu n GLY 53 N 0.95 -1.23 3.75 0.72 0.00 -1.26 -4.37 105.19 103.74 1avu n GLY 53 Ca 0.08 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 1avu n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1avu s ILE 54 N 0.00 5.40 0.16 -0.61 1.01 -0.68 -4.97 121.20 121.50 1avu s ILE 54 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 1avu s ILE 54 Cb 0.00 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.89 1avu s ILE 54 CO 0.00 0.46 1.31 -0.83 0.00 0.00 0.00 174.94 175.88 1avu s GLY 55 N 0.18 2.32 -0.15 6.18 0.00 -1.26 -4.70 107.32 109.89 1avu s GLY 55 Ca 0.11 1.07 -0.02 0.00 0.00 0.00 0.00 44.72 45.87 1avu s GLY 55 CO 0.00 2.13 -0.07 -1.59 0.00 0.00 0.00 173.10 173.58 1avu s THR 56 N 0.51 3.57 -0.20 0.90 2.01 0.49 -1.05 115.64 121.87 1avu s THR 56 Ca 0.59 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.85 1avu s THR 56 Cb -0.35 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 1avu s THR 56 CO 0.35 0.50 0.94 -0.63 -0.69 0.00 0.00 174.62 175.09 1avu s ILE 57 N 0.43 4.77 -0.20 1.82 1.09 0.12 -1.83 121.20 127.41 1avu s ILE 57 Ca -0.06 1.84 -0.05 0.00 -1.10 0.00 0.00 60.65 61.28 1avu s ILE 57 Cb -0.15 -4.23 -0.02 0.00 -1.06 0.00 0.00 42.46 37.00 1avu s ILE 57 CO 0.04 -0.08 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.15 1avu s ILE 58 N 2.72 3.87 -0.00 2.92 1.01 -0.28 -2.07 121.20 129.37 1avu s ILE 58 Ca 0.41 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1avu s ILE 58 Cb -0.16 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 1avu s ILE 58 CO 0.09 0.44 -0.02 -0.44 0.00 0.00 0.00 174.94 175.01 1avu s SER 59 N 0.95 0.22 0.10 3.58 0.01 -0.84 0.21 113.70 117.93 1avu s SER 59 Ca 0.01 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.31 1avu s SER 59 Cb -0.14 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1avu s SER 59 CO 0.02 0.02 -0.10 -0.55 0.41 0.00 0.00 173.24 173.03 1avu s SER 60 N 0.01 4.41 0.33 2.44 0.15 -1.26 -0.33 113.70 119.45 1avu s SER 60 Ca 0.00 -0.37 0.14 0.00 0.70 0.00 0.00 55.95 56.42 1avu s SER 60 Cb -0.01 -0.85 0.57 0.00 -1.71 0.00 0.00 66.02 64.02 1avu s SER 60 CO -0.00 0.18 1.72 1.55 1.20 0.00 0.00 173.24 177.89 1avu h PRO 61 N 3.66 0.00 -7.26 5.44 0.13 -1.97 -3.45 132.00 128.56 1avu h PRO 61 Ca -0.49 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 1avu h PRO 61 Cb 1.17 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.47 1avu h PRO 61 CO 0.52 0.47 0.28 0.71 -0.23 0.00 0.00 178.00 179.76 1avu s TYR 62 N -3.79 1.85 -0.74 1.56 2.02 -1.26 -4.92 117.35 112.08 1avu s TYR 62 Ca -0.01 1.72 0.03 0.00 -0.37 0.00 0.00 57.07 58.43 1avu s TYR 62 Cb 0.13 -3.33 0.16 0.00 -0.40 0.00 0.00 41.96 38.51 1avu s TYR 62 CO 0.73 -2.62 0.82 -2.13 -1.57 0.00 0.00 175.55 170.77 1avu n ARG 63 N -3.78 1.71 -1.77 -0.62 0.63 -1.26 -4.84 116.66 106.73 1avu n ARG 63 Ca 0.12 -0.63 -0.38 0.00 -0.92 0.00 0.00 57.85 56.04 1avu n ARG 63 Cb 0.52 -1.59 0.05 0.00 0.45 0.00 0.00 32.46 31.88 1avu n ARG 63 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1avu s ILE 64 N -1.26 2.08 -0.18 5.15 -4.36 -1.26 -4.92 121.20 116.45 1avu s ILE 64 Ca 0.11 0.05 0.20 0.00 -0.26 0.00 0.00 60.65 60.75 1avu s ILE 64 Cb 0.09 -3.02 -0.07 0.00 1.25 0.00 0.00 42.46 40.70 1avu s ILE 64 CO 0.03 -0.01 0.92 -1.14 0.24 0.00 0.00 174.94 174.98 1avu n ARG 65 N -1.42 0.61 -4.41 0.37 0.63 -1.26 -4.76 116.66 106.43 1avu n ARG 65 Ca 0.13 0.16 -0.26 0.00 -0.92 0.00 0.00 57.85 56.95 1avu n ARG 65 Cb 0.46 -1.81 -0.17 0.00 0.45 0.00 0.00 32.46 31.40 1avu n ARG 65 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1avu s PHE 66 N -3.17 1.60 -0.29 -0.14 0.08 -1.26 -1.04 117.98 113.77 1avu s PHE 66 Ca -0.02 -0.69 -0.29 0.00 0.12 0.00 0.00 56.93 56.06 1avu s PHE 66 Cb 0.09 -1.20 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 1avu s PHE 66 CO 0.80 -0.38 1.69 0.42 -0.10 0.00 0.00 175.22 177.65 1avu s ILE 67 N 0.97 3.60 0.23 0.64 -1.09 -0.80 -4.90 121.20 119.85 1avu s ILE 67 Ca -0.08 0.64 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 1avu s ILE 67 Cb -0.15 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1avu s ILE 67 CO -0.00 -0.39 0.38 0.00 -1.23 0.00 0.00 174.94 173.70 1avu s ALA 68 N 6.03 3.87 0.95 9.38 0.00 -1.26 -1.07 121.76 139.65 1avu s ALA 68 Ca 0.75 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 1avu s ALA 68 Cb -0.23 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.03 1avu s ALA 68 CO 0.32 0.32 0.31 0.39 0.00 0.00 0.00 175.76 177.09 1avu n GLU 69 N -1.06 -0.26 -0.09 0.00 1.02 0.63 -2.71 120.64 118.18 1avu n GLU 69 Ca -0.07 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1avu n GLU 69 Cb 0.55 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1avu n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1avu n GLY 70 N 1.67 1.11 3.76 0.62 0.00 -0.84 -4.95 105.19 106.55 1avu n GLY 70 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1avu n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1avu s HIS 71 N -1.86 2.50 0.39 1.61 3.76 -1.10 -4.94 115.29 115.65 1avu s HIS 71 Ca 0.00 1.45 -0.25 0.00 -0.15 0.00 0.00 55.06 56.11 1avu s HIS 71 Cb 0.00 -3.62 -0.09 0.00 1.11 0.00 0.00 32.58 29.98 1avu s HIS 71 CO 0.00 -2.35 1.08 -1.25 -0.85 0.00 0.00 174.74 171.37 1avu s PRO 72 N -2.88 4.16 0.03 8.40 0.04 -1.26 -4.32 135.00 139.17 1avu s PRO 72 Ca 0.70 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.39 1avu s PRO 72 Cb -0.35 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 1avu s PRO 72 CO 0.42 -0.17 -0.11 -0.51 0.04 0.00 0.00 177.00 176.67 1avu s LEU 73 N -2.52 2.15 -0.10 -3.56 1.43 0.26 -3.95 118.68 112.39 1avu s LEU 73 Ca 0.57 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1avu s LEU 73 Cb -0.25 -0.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 1avu s LEU 73 CO 0.31 -0.02 -0.19 -0.94 0.23 0.00 0.00 176.35 175.75 1avu s SER 74 N -1.00 3.57 -0.13 2.29 1.04 0.55 -1.82 113.70 118.20 1avu s SER 74 Ca -0.01 -0.41 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 1avu s SER 74 Cb -0.07 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 1avu s SER 74 CO 0.01 0.21 -0.06 -0.76 0.98 0.00 0.00 173.24 173.61 1avu s LEU 75 N 0.09 3.13 0.01 2.42 1.43 -1.26 -1.98 118.68 122.52 1avu s LEU 75 Ca -0.08 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1avu s LEU 75 Cb -0.15 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1avu s LEU 75 CO 0.05 0.21 -0.06 -1.59 0.23 0.00 0.00 176.35 175.19 1avu s LYS 76 N 0.12 0.44 0.46 1.70 -2.85 -0.88 -1.09 119.74 117.64 1avu s LYS 76 Ca -0.02 -0.38 -0.25 0.00 -1.00 0.00 0.00 55.97 54.32 1avu s LYS 76 Cb -0.14 -0.34 -0.08 0.00 -2.06 0.00 0.00 37.83 35.21 1avu s LYS 76 CO 0.03 0.08 1.39 -0.06 0.10 0.00 0.00 175.35 176.90 1avu s PHE 77 N -0.57 2.49 1.19 1.78 0.08 -0.71 0.13 117.98 122.38 1avu s PHE 77 Ca -0.02 1.31 -0.18 0.00 0.12 0.00 0.00 56.93 58.15 1avu s PHE 77 Cb -0.05 -3.85 0.28 0.00 -0.57 0.00 0.00 43.02 38.83 1avu s PHE 77 CO -0.00 -2.77 1.09 0.34 -0.10 0.00 0.00 175.22 173.78 1avu s ASP 78 N -0.64 1.01 0.22 1.36 -1.08 -0.21 -4.77 116.67 112.56 1avu s ASP 78 Ca 0.62 0.76 -0.32 0.00 -0.52 0.00 0.00 52.55 53.10 1avu s ASP 78 Cb -0.42 -1.10 -0.14 0.00 -1.46 0.00 0.00 42.92 39.80 1avu s ASP 78 CO 0.53 -4.08 1.40 -1.20 0.52 0.00 0.00 175.17 172.34 1avu n SER 79 N -4.75 2.62 -2.63 -0.34 7.64 -1.26 -4.94 113.62 109.96 1avu n SER 79 Ca 0.11 1.14 -0.14 0.00 1.01 0.00 0.00 58.87 60.99 1avu n SER 79 Cb 0.59 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 1avu n SER 79 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1avu n PHE 80 N 2.04 -0.45 -3.18 1.43 -1.74 -1.26 -4.94 117.46 109.36 1avu n PHE 80 Ca 0.13 -1.92 -0.39 0.00 -0.56 0.00 0.00 57.45 54.70 1avu n PHE 80 Cb 0.30 0.17 -0.06 0.00 1.52 0.00 0.00 39.48 41.41 1avu n PHE 80 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1avu s ALA 81 N -2.91 3.50 0.18 1.98 0.00 -1.26 -5.07 121.76 118.18 1avu s ALA 81 Ca 0.26 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1avu s ALA 81 Cb 0.01 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1avu s ALA 81 CO 0.18 -0.35 -0.12 0.14 0.00 0.00 0.00 175.76 175.61 1avu s VAL 82 N 1.43 1.43 0.67 0.00 -7.23 -1.26 -5.09 120.40 110.34 1avu s VAL 82 Ca 0.28 -2.13 -0.16 0.00 -1.81 0.00 0.00 61.98 58.16 1avu s VAL 82 Cb -0.16 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1avu s VAL 82 CO 0.11 -0.67 1.17 0.27 -0.31 0.00 0.00 175.10 175.67 1avu s ILE 83 N -3.17 2.75 0.49 -0.62 -4.36 -1.26 -4.78 121.20 110.25 1avu s ILE 83 Ca 0.20 0.39 0.19 0.00 -0.26 0.00 0.00 60.65 61.16 1avu s ILE 83 Cb 0.01 -2.98 0.35 0.00 1.25 0.00 0.00 42.46 41.09 1avu s ILE 83 CO 0.04 -0.18 2.01 -0.03 0.24 0.00 0.00 174.94 177.02 1avu h MET 84 N 0.16 0.18 -0.90 0.37 4.05 -2.01 0.22 114.93 117.00 1avu h MET 84 Ca -0.48 -0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.18 1avu h MET 84 Cb 1.28 -0.04 -0.14 0.00 -0.80 0.00 0.00 31.60 31.89 1avu h MET 84 CO 0.53 0.12 0.29 1.25 0.23 0.00 0.00 176.91 179.33 1avu h LEU 85 N 0.18 0.09 -0.56 3.39 7.12 -2.01 -3.02 115.31 120.51 1avu h LEU 85 Ca 0.23 0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.43 1avu h LEU 85 Cb 0.65 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.02 1avu h LEU 85 CO -0.04 -0.14 -0.55 0.00 -0.13 0.00 0.00 178.44 177.58 1avu n VAL 87 N -0.65 0.79 -0.52 0.00 0.31 -1.14 -2.56 118.33 114.55 1avu n VAL 87 Ca 0.08 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1avu n VAL 87 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1avu n VAL 87 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1avu n GLY 88 N 1.56 1.29 3.70 2.92 0.00 -1.26 -5.05 105.19 108.35 1avu n GLY 88 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1avu n GLY 88 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1avu n ILE 89 N -2.00 4.32 -2.31 -0.61 -5.35 -1.06 -4.97 119.36 107.39 1avu n ILE 89 Ca 0.00 -0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 1avu n ILE 89 Cb 0.00 -1.38 -0.03 0.00 -1.74 0.00 0.00 39.64 36.49 1avu n ILE 89 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1avu s PRO 90 N -3.36 4.42 0.00 6.28 0.02 -1.26 -4.92 135.00 136.18 1avu s PRO 90 Ca 0.80 1.94 0.19 0.00 0.02 0.00 0.00 61.00 63.95 1avu s PRO 90 Cb -0.37 -3.25 0.34 0.00 0.02 0.00 0.00 34.50 31.24 1avu s PRO 90 CO 0.43 -0.23 1.27 0.25 -0.33 0.00 0.00 177.00 178.39 1avu n THR 91 N 3.07 0.50 -2.67 0.99 -2.24 -1.26 0.94 114.28 113.61 1avu n THR 91 Ca 0.07 -0.75 -0.41 0.00 -2.27 0.00 0.00 64.05 60.69 1avu n THR 91 Cb 0.44 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 1avu n THR 91 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1avu s GLU 92 N -1.29 4.69 0.28 -0.78 2.12 -1.26 -1.74 118.70 120.72 1avu s GLU 92 Ca 0.31 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 56.87 1avu s GLU 92 Cb 0.18 -3.34 -0.10 0.00 0.26 0.00 0.00 34.13 31.14 1avu s GLU 92 CO 0.25 0.22 1.22 -1.58 -0.54 0.00 0.00 175.26 174.83 1avu s TRP 93 N -0.21 3.31 0.12 5.30 0.52 -0.25 -4.49 118.94 123.24 1avu s TRP 93 Ca 0.47 1.50 0.07 0.00 0.02 0.00 0.00 56.10 58.15 1avu s TRP 93 Cb -0.25 -3.50 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 1avu s TRP 93 CO 0.31 -1.32 -0.16 -1.12 0.02 0.00 0.00 176.95 174.68 1avu s SER 94 N -0.48 2.22 -0.31 2.95 0.01 0.37 -4.87 113.70 113.61 1avu s SER 94 Ca 0.49 -0.77 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 1avu s SER 94 Cb -0.36 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 65.80 1avu s SER 94 CO 0.45 -0.07 0.08 -0.69 0.41 0.00 0.00 173.24 173.42 1avu s VAL 95 N -1.80 3.76 -0.17 3.43 1.01 -1.26 0.21 120.40 125.58 1avu s VAL 95 Ca 0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1avu s VAL 95 Cb -0.07 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1avu s VAL 95 CO 0.04 -0.03 -0.10 0.68 0.00 0.00 0.00 175.10 175.69 1avu s VAL 96 N 1.43 3.11 0.01 2.92 -7.23 0.43 0.27 120.40 121.35 1avu s VAL 96 Ca 0.00 -0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1avu s VAL 96 Cb -0.18 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1avu s VAL 96 CO 0.02 0.49 0.01 -1.84 -0.31 0.00 0.00 175.10 173.47 1avu n GLU 97 N 4.13 0.50 -3.44 4.82 0.28 -0.88 -2.58 120.64 123.47 1avu n GLU 97 Ca -0.18 -0.03 -0.23 0.00 -0.16 0.00 0.00 57.16 56.56 1avu n GLU 97 Cb 0.52 -0.01 0.07 0.00 1.43 0.00 0.00 31.44 33.45 1avu n GLU 97 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1avu n ASP 98 N -3.00 -6.28 -4.35 -1.84 9.92 -1.26 -4.80 116.55 104.94 1avu n ASP 98 Ca 0.00 -0.47 -0.23 0.00 -0.53 0.00 0.00 54.79 53.57 1avu n ASP 98 Cb 0.01 -4.95 -0.11 0.00 -0.64 0.00 0.00 41.12 35.42 1avu n ASP 98 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1avu s LEU 99 N -7.05 2.44 0.16 0.64 1.43 -1.26 -5.05 118.68 109.98 1avu s LEU 99 Ca 0.51 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1avu s LEU 99 Cb -0.22 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.14 1avu s LEU 99 CO 0.63 -0.01 1.73 -0.65 0.23 0.00 0.00 176.35 178.28 1avu h PRO 100 N 3.24 0.73 -0.09 1.29 0.11 -1.98 -3.15 132.00 132.16 1avu h PRO 100 Ca -0.43 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1avu h PRO 100 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1avu h PRO 100 CO 0.50 0.62 0.00 -0.85 -0.21 0.00 0.00 178.00 178.06 1avu n GLU 101 N -4.59 0.57 -0.08 1.05 0.00 -1.26 -4.95 120.64 111.38 1avu n GLU 101 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.19 1avu n GLU 101 Cb 0.13 -1.04 -0.00 0.00 0.00 0.00 0.00 31.44 30.52 1avu n GLU 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1avu n GLY 102 N 0.09 -1.54 3.48 -1.84 0.00 -1.19 -4.80 105.19 99.39 1avu n GLY 102 Ca 0.00 -1.50 -0.45 0.00 0.00 0.00 0.00 46.02 44.06 1avu n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1avu n PRO 103 N -1.68 0.92 -3.70 1.61 -0.02 -1.26 -4.54 135.00 126.33 1avu n PRO 103 Ca -0.00 0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.31 1avu n PRO 103 Cb 0.04 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 30.90 1avu n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1avu s ALA 104 N 8.80 3.80 -0.09 3.55 0.00 -1.07 -0.22 121.76 136.54 1avu s ALA 104 Ca 1.11 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 1avu s ALA 104 Cb -0.75 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1avu s ALA 104 CO 0.43 0.60 0.86 0.08 0.00 0.00 0.00 175.76 177.73 1avu s VAL 105 N -1.25 4.91 0.13 0.00 1.01 -0.94 -0.42 120.40 123.84 1avu s VAL 105 Ca 0.26 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.00 1avu s VAL 105 Cb -0.14 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1avu s VAL 105 CO 0.14 0.11 -0.05 -0.54 0.00 0.00 0.00 175.10 174.77 1avu s LYS 106 N 1.51 0.94 0.00 2.72 -0.14 0.13 -3.09 119.74 121.81 1avu s LYS 106 Ca 0.43 -1.41 0.00 0.00 -1.36 0.00 0.00 55.97 53.63 1avu s LYS 106 Cb -0.18 -0.27 0.00 0.00 -1.68 0.00 0.00 37.83 35.70 1avu s LYS 106 CO 0.18 -0.04 0.00 0.44 -0.76 0.00 0.00 175.35 175.17 1avu n ILE 107 N -0.12 0.00 -4.62 2.17 -5.35 0.70 -0.47 119.36 111.67 1avu n ILE 107 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1avu n ILE 107 Cb 0.61 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1avu n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1avu n GLY 108 N 5.00 0.43 3.13 3.28 0.00 0.27 -4.66 105.19 112.63 1avu n GLY 108 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1avu n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1avu s GLU 109 N 0.00 2.29 -0.03 1.61 2.02 -1.26 -4.68 118.70 118.65 1avu s GLU 109 Ca 0.00 -1.37 0.07 0.00 0.02 0.00 0.00 54.97 53.69 1avu s GLU 109 Cb 0.00 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 1avu s GLU 109 CO 0.00 -0.66 -0.25 -0.80 0.02 0.00 0.00 175.26 173.57 1avu s ASN 110 N 1.23 2.97 0.02 -0.19 0.01 -1.26 -5.05 114.94 112.67 1avu s ASN 110 Ca -0.04 -0.47 -0.26 0.00 -0.71 0.00 0.00 52.86 51.37 1avu s ASN 110 Cb -0.20 -0.50 -0.17 0.00 0.41 0.00 0.00 41.25 40.79 1avu s ASN 110 CO -0.03 0.28 1.31 0.11 -1.51 0.00 0.00 177.10 177.27 1avu h LYS 111 N 5.71 -0.49 -0.96 -0.60 1.79 -1.99 -3.24 116.57 116.79 1avu h LYS 111 Ca -0.39 0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.02 1avu h LYS 111 Cb 1.14 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.84 1avu h LYS 111 CO 0.47 -0.19 0.13 -0.25 -1.08 0.00 0.00 179.45 178.52 1avu n ASP 112 N -5.20 2.94 -4.60 0.86 10.43 -1.26 -4.92 116.55 114.79 1avu n ASP 112 Ca -0.10 -2.39 -0.43 0.00 2.57 0.00 0.00 54.79 54.44 1avu n ASP 112 Cb 0.28 -0.58 -0.03 0.00 1.84 0.00 0.00 41.12 42.62 1avu n ASP 112 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1avu s ALA 113 N -1.09 2.82 0.33 2.24 0.00 -1.23 -2.08 121.76 122.77 1avu s ALA 113 Ca 0.16 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 1avu s ALA 113 Cb 0.13 -4.04 -0.12 0.00 0.00 0.00 0.00 23.12 19.08 1avu s ALA 113 CO 0.03 -2.66 1.26 -1.33 0.00 0.00 0.00 175.76 173.06 1avu n MET 114 N 8.58 2.04 -3.27 0.00 0.00 0.14 -4.95 117.12 119.67 1avu n MET 114 Ca 0.27 0.72 -0.33 0.00 0.00 0.00 0.00 57.70 58.36 1avu n MET 114 Cb 0.45 -2.28 -0.06 0.00 0.00 0.00 0.00 33.22 31.34 1avu n MET 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1avu s ASP 115 N -0.33 6.76 0.00 7.83 -1.08 -1.26 -4.53 116.67 124.06 1avu s ASP 115 Ca 0.56 1.14 0.00 0.00 -0.52 0.00 0.00 52.55 53.72 1avu s ASP 115 Cb -0.58 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 38.56 1avu s ASP 115 CO 0.62 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.83 1avu n GLY 116 N -0.01 -0.75 3.23 2.66 0.00 -1.26 0.17 105.19 109.23 1avu n GLY 116 Ca 0.01 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 1avu n GLY 116 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1avu s TRP 117 N -2.48 -0.12 0.01 1.61 0.52 -0.71 -4.83 118.94 112.94 1avu s TRP 117 Ca 0.00 0.09 -0.05 0.00 0.02 0.00 0.00 56.10 56.16 1avu s TRP 117 Cb 0.00 0.08 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 1avu s TRP 117 CO 0.00 -0.43 0.24 -0.06 0.02 0.00 0.00 176.95 176.72 1avu s PHE 118 N -1.90 3.56 0.13 -1.98 0.08 -0.76 -0.84 117.98 116.28 1avu s PHE 118 Ca -0.10 0.49 0.06 0.00 0.12 0.00 0.00 56.93 57.50 1avu s PHE 118 Cb -0.03 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1avu s PHE 118 CO 0.01 0.61 -0.15 1.03 -0.10 0.00 0.00 175.22 176.62 1avu s ARG 119 N -1.89 1.07 -0.07 0.44 0.52 -0.22 0.90 118.95 119.69 1avu s ARG 119 Ca 0.28 -1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 54.18 1avu s ARG 119 Cb -0.13 -0.99 -0.04 0.00 0.52 0.00 0.00 34.95 34.31 1avu s ARG 119 CO 0.18 0.19 0.14 -0.51 0.02 0.00 0.00 175.30 175.32 1avu s LEU 120 N -2.49 4.29 -0.08 2.53 1.43 -1.26 -0.91 118.68 122.19 1avu s LEU 120 Ca 0.10 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1avu s LEU 120 Cb -0.05 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 43.94 1avu s LEU 120 CO 0.04 0.34 0.14 -1.61 0.23 0.00 0.00 176.35 175.48 1avu s GLU 121 N -1.42 0.01 0.53 1.70 2.02 -0.83 -1.99 118.70 118.71 1avu s GLU 121 Ca 0.20 0.51 -0.22 0.00 0.02 0.00 0.00 54.97 55.48 1avu s GLU 121 Cb -0.12 -0.37 -0.05 0.00 0.10 0.00 0.00 34.13 33.69 1avu s GLU 121 CO 0.10 -0.32 1.32 0.50 0.02 0.00 0.00 175.26 176.87 1avu s ARG 122 N 2.26 3.28 0.00 1.61 6.06 -1.26 -0.28 118.95 130.63 1avu s ARG 122 Ca 0.04 2.13 0.00 0.00 -2.50 0.00 0.00 55.73 55.40 1avu s ARG 122 Cb -0.12 -2.29 0.00 0.00 0.06 0.00 0.00 34.95 32.59 1avu s ARG 122 CO -0.05 -1.04 0.00 1.33 -2.50 0.00 0.00 175.30 173.03 1avu n VAL 123 N -0.90 0.00 -0.03 7.11 0.24 -0.26 -4.74 118.33 119.75 1avu n VAL 123 Ca 0.10 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1avu n VAL 123 Cb 0.46 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 1avu n VAL 123 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1avu n SER 124 N -0.39 0.00 0.00 -1.34 3.41 -0.77 -4.93 113.62 109.61 1avu n SER 124 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1avu n SER 124 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1avu n SER 124 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1avu n GLU 127 N -0.00 0.00 -0.61 4.33 0.00 -1.26 -4.06 120.64 119.04 1avu n GLU 127 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1avu n GLU 127 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 1avu n GLU 127 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1avu n PHE 128 N 0.00 0.00 -2.70 4.31 7.35 -1.26 -4.94 117.46 120.21 1avu n PHE 128 Ca 0.00 -0.15 -0.38 0.00 -0.76 0.00 0.00 57.45 56.16 1avu n PHE 128 Cb 0.00 0.32 0.01 0.00 0.35 0.00 0.00 39.48 40.15 1avu n PHE 128 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1avu n ASN 129 N 0.00 6.78 -4.76 -2.13 3.02 -1.26 -5.03 115.26 111.88 1avu n ASN 129 Ca -0.08 -3.69 -0.35 0.00 -0.03 0.00 0.00 54.58 50.42 1avu n ASN 129 Cb 0.51 -1.05 -0.08 0.00 -0.61 0.00 0.00 39.78 38.55 1avu n ASN 129 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1avu s ASN 130 N -1.78 5.67 0.14 6.41 -0.87 -1.26 -4.57 114.94 118.68 1avu s ASN 130 Ca 0.41 0.26 0.01 0.00 -1.57 0.00 0.00 52.86 51.97 1avu s ASN 130 Cb 0.21 -1.69 -0.04 0.00 -0.02 0.00 0.00 41.25 39.71 1avu s ASN 130 CO -0.13 0.38 -0.00 -0.31 -2.57 0.00 0.00 177.10 174.46 1avu s TYR 131 N -0.96 1.02 0.29 2.20 1.51 -0.74 -1.10 117.35 119.55 1avu s TYR 131 Ca 0.15 -1.04 0.09 0.00 -1.01 0.00 0.00 57.07 55.25 1avu s TYR 131 Cb -0.12 -0.59 -0.06 0.00 -0.11 0.00 0.00 41.96 41.09 1avu s TYR 131 CO 0.04 -0.27 -0.11 -1.59 -1.11 0.00 0.00 175.55 172.51 1avu s LYS 132 N -3.92 1.61 -0.13 -0.62 -2.85 0.62 -1.50 119.74 112.95 1avu s LYS 132 Ca 0.20 -1.79 -0.04 0.00 -1.00 0.00 0.00 55.97 53.34 1avu s LYS 132 Cb 0.06 -1.42 -0.03 0.00 -2.06 0.00 0.00 37.83 34.38 1avu s LYS 132 CO 0.01 0.15 0.01 -0.51 0.10 0.00 0.00 175.35 175.10 1avu s LEU 133 N -3.48 3.58 0.11 2.77 1.43 -1.26 -1.97 118.68 119.86 1avu s LEU 133 Ca 0.29 0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.55 1avu s LEU 133 Cb 0.01 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1avu s LEU 133 CO 0.13 0.27 -0.22 0.68 0.23 0.00 0.00 176.35 177.45 1avu s VAL 134 N -0.25 1.79 -0.17 -1.59 -7.23 -0.09 -2.19 120.40 110.68 1avu s VAL 134 Ca 0.06 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1avu s VAL 134 Cb -0.12 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1avu s VAL 134 CO 0.02 -0.05 0.02 0.12 -0.31 0.00 0.00 175.10 174.90 1avu s PHE 135 N -1.17 3.16 -0.37 2.82 5.36 -0.58 -1.06 117.98 126.14 1avu s PHE 135 Ca 0.08 -0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 55.94 1avu s PHE 135 Cb -0.10 -2.01 0.08 0.00 -0.34 0.00 0.00 43.02 40.65 1avu s PHE 135 CO 0.05 0.10 0.14 0.00 -1.46 0.00 0.00 175.22 174.04 1avu s PRO 137 N 1.23 3.99 0.00 0.00 0.02 -1.26 -1.73 135.00 137.25 1avu s PRO 137 Ca 0.03 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1avu s PRO 137 Cb -0.22 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.64 1avu s PRO 137 CO -0.02 -0.40 0.00 1.04 -0.33 0.00 0.00 177.00 177.29 1avu n GLN 138 N 0.02 0.00 0.00 5.54 3.00 0.45 -4.76 117.38 121.63 1avu n GLN 138 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1avu n GLN 138 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.70 1avu n GLN 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1avu n GLN 139 N 0.00 0.00 -0.96 -1.09 1.13 -1.25 -4.86 117.38 110.35 1avu n GLN 139 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1avu n GLN 139 Cb 0.00 0.00 0.17 0.00 0.11 0.00 0.00 30.24 30.52 1avu n GLN 139 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1avu n ASP 143 N 0.89 2.85 -4.56 1.08 10.43 -1.26 -4.81 116.55 121.18 1avu n ASP 143 Ca 0.00 -3.82 -0.43 0.00 2.57 0.00 0.00 54.79 53.11 1avu n ASP 143 Cb 0.00 -0.59 -0.03 0.00 1.84 0.00 0.00 41.12 42.33 1avu n ASP 143 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 1avu s LYS 144 N -3.33 3.46 0.08 -1.24 0.00 -1.26 -5.04 119.74 112.42 1avu s LYS 144 Ca 0.45 0.06 0.07 0.00 0.00 0.00 0.00 55.97 56.55 1avu s LYS 144 Cb 0.41 -4.00 -0.04 0.00 0.00 0.00 0.00 37.83 34.19 1avu s LYS 144 CO -0.01 -1.50 -0.13 0.00 0.00 0.00 0.00 175.35 173.71 1avu s GLY 146 N -1.97 2.23 0.02 0.00 0.00 -0.19 -4.86 107.32 102.55 1avu s GLY 146 Ca 0.19 -0.62 -0.27 0.00 0.00 0.00 0.00 44.72 44.02 1avu s GLY 146 CO 0.11 -0.52 0.86 0.99 0.00 0.00 0.00 173.10 174.54 1avu s ASP 147 N -2.26 7.27 -0.36 1.64 1.01 -1.15 -1.52 116.67 121.29 1avu s ASP 147 Ca 0.36 1.53 -0.29 0.00 0.71 0.00 0.00 52.55 54.86 1avu s ASP 147 Cb -0.13 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.31 1avu s ASP 147 CO 0.23 -0.13 1.13 -0.63 0.21 0.00 0.00 175.17 175.99 1avu s ILE 148 N 0.52 4.36 0.00 0.77 -1.09 -0.93 0.19 121.20 125.02 1avu s ILE 148 Ca 0.45 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1avu s ILE 148 Cb -0.21 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1avu s ILE 148 CO 0.25 -0.63 0.00 0.61 -1.23 0.00 0.00 174.94 173.94 1avu n GLY 149 N 4.22 6.29 3.50 6.18 0.00 -0.17 -1.60 105.19 123.61 1avu n GLY 149 Ca 0.13 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1avu n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1avu s ILE 150 N 1.37 3.10 -0.08 -0.61 -1.09 -1.26 -2.62 121.20 120.01 1avu s ILE 150 Ca 0.00 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.52 1avu s ILE 150 Cb 0.00 -2.28 0.02 0.00 -1.58 0.00 0.00 42.46 38.62 1avu s ILE 150 CO 0.00 0.45 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.52 1avu s SER 151 N -1.16 1.81 0.01 3.58 0.15 0.27 -4.86 113.70 113.51 1avu s SER 151 Ca 0.14 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.39 1avu s SER 151 Cb -0.11 -0.76 -0.06 0.00 -1.71 0.00 0.00 66.02 63.39 1avu s SER 151 CO 0.04 -0.05 0.39 -0.63 1.20 0.00 0.00 173.24 174.19 1avu s ILE 152 N 1.20 5.07 0.00 6.45 -1.09 -1.24 0.10 121.20 131.69 1avu s ILE 152 Ca -0.05 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1avu s ILE 152 Cb -0.14 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1avu s ILE 152 CO -0.02 0.51 0.00 -0.67 -1.23 0.00 0.00 174.94 173.53 1avu n ASP 153 N 1.61 0.00 0.00 3.58 2.03 0.19 -4.89 116.55 119.07 1avu n ASP 153 Ca -0.13 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1avu n ASP 153 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1avu n ASP 153 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1avu n HIS 154 N -0.06 0.00 0.29 -0.67 -0.00 -1.26 -3.67 115.22 109.84 1avu n HIS 154 Ca 0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 1avu n HIS 154 Cb 0.00 0.00 0.86 0.00 -0.12 0.00 0.00 29.99 30.73 1avu n HIS 154 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1avu h ASP 155 N 0.00 0.00 0.00 0.26 3.58 -2.03 -3.35 116.42 114.89 1avu h ASP 155 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1avu h ASP 155 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1avu h ASP 155 CO 0.00 0.04 0.00 0.47 -2.88 0.00 0.00 179.24 176.87 1avu n ASP 156 N -3.80 0.00 0.00 2.28 8.00 -1.26 -4.98 116.55 116.80 1avu n ASP 156 Ca -0.03 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1avu n ASP 156 Cb 0.13 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1avu n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1avu n GLY 157 N 1.22 1.00 3.70 0.44 0.00 -1.24 -5.00 105.19 105.31 1avu n GLY 157 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1avu n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1avu s THR 158 N -2.00 3.08 -0.78 2.61 -4.23 -1.26 -4.41 115.64 108.64 1avu s THR 158 Ca 0.00 0.66 -0.21 0.00 -1.18 0.00 0.00 61.69 60.96 1avu s THR 158 Cb 0.00 -3.43 0.10 0.00 1.34 0.00 0.00 72.50 70.51 1avu s THR 158 CO 0.00 0.02 1.04 -0.13 -0.54 0.00 0.00 174.62 175.01 1avu s ARG 159 N 1.86 3.33 -0.16 3.99 0.52 -1.26 0.53 118.95 127.77 1avu s ARG 159 Ca 0.69 -1.27 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 1avu s ARG 159 Cb -0.39 -4.57 -0.04 0.00 0.52 0.00 0.00 34.95 30.47 1avu s ARG 159 CO 0.31 -1.80 0.11 -0.98 0.02 0.00 0.00 175.30 172.96 1avu s ARG 160 N 3.44 3.81 -0.05 3.54 1.70 0.28 -2.32 118.95 129.35 1avu s ARG 160 Ca 0.27 -0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 1avu s ARG 160 Cb -0.11 -3.25 -0.06 0.00 -0.57 0.00 0.00 34.95 30.95 1avu s ARG 160 CO 0.01 0.48 1.76 -0.51 -1.08 0.00 0.00 175.30 175.96 1avu s LEU 161 N -0.19 4.28 0.10 -1.89 1.02 -0.88 0.97 118.68 122.08 1avu s LEU 161 Ca 0.10 2.29 0.03 0.00 0.02 0.00 0.00 54.13 56.56 1avu s LEU 161 Cb -0.12 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.52 1avu s LEU 161 CO 0.01 -1.03 -0.08 0.68 0.02 0.00 0.00 176.35 175.94 1avu s VAL 162 N 4.44 0.81 -0.34 -1.59 -7.23 -1.08 -2.21 120.40 113.20 1avu s VAL 162 Ca 0.78 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 1avu s VAL 162 Cb -0.35 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 1avu s VAL 162 CO 0.33 -0.73 1.45 -0.69 -0.31 0.00 0.00 175.10 175.15 1avu s VAL 163 N -3.07 3.89 -0.17 1.32 1.01 0.70 -1.00 120.40 123.08 1avu s VAL 163 Ca 0.09 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1avu s VAL 163 Cb 0.01 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1avu s VAL 163 CO -0.02 -0.57 -0.20 -0.55 0.00 0.00 0.00 175.10 173.76 1avu s SER 164 N 3.88 3.12 0.10 3.32 0.15 0.51 -4.56 113.70 120.22 1avu s SER 164 Ca 0.63 -0.64 -0.24 0.00 0.70 0.00 0.00 55.95 56.40 1avu s SER 164 Cb -0.17 -1.47 -0.11 0.00 -1.71 0.00 0.00 66.02 62.55 1avu s SER 164 CO 0.30 0.01 1.70 0.11 1.20 0.00 0.00 173.24 176.55 1avu h LYS 165 N 7.86 -0.19 -2.02 5.44 1.57 -1.94 -2.79 116.57 124.50 1avu h LYS 165 Ca -0.44 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 57.73 1avu h LYS 165 Cb 1.15 0.04 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 1avu h LYS 165 CO 0.63 -0.13 0.74 0.09 -0.57 0.00 0.00 179.45 180.21 1avu n ASN 166 N -5.22 6.97 0.00 0.86 5.03 -1.26 -4.72 115.26 116.93 1avu n ASN 166 Ca -0.07 -3.47 0.00 0.00 0.87 0.00 0.00 54.58 51.91 1avu n ASN 166 Cb 0.14 -1.17 0.00 0.00 -1.02 0.00 0.00 39.78 37.73 1avu n ASN 166 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1avu n LYS 167 N 0.30 0.00 -1.91 3.52 4.76 -1.06 -5.04 118.16 118.73 1avu n LYS 167 Ca 0.51 0.15 -0.32 0.00 -2.87 0.00 0.00 58.31 55.79 1avu n LYS 167 Cb 0.41 -0.84 0.02 0.00 -1.84 0.00 0.00 35.03 32.77 1avu n LYS 167 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1avu s PRO 168 N -0.80 3.32 -0.19 1.97 0.04 -1.26 -4.57 135.00 133.51 1avu s PRO 168 Ca 0.00 1.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 1avu s PRO 168 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1avu s PRO 168 CO 0.00 -0.80 0.30 -1.17 0.04 0.00 0.00 177.00 175.38 1avu s LEU 169 N -4.90 4.20 -0.17 -3.56 2.96 -0.63 -4.85 118.68 111.73 1avu s LEU 169 Ca 0.60 0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 54.84 1avu s LEU 169 Cb -0.14 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1avu s LEU 169 CO 0.45 0.04 0.18 -0.69 -1.32 0.00 0.00 176.35 175.01 1avu s VAL 170 N 0.82 5.38 0.17 1.68 1.01 -1.26 -4.44 120.40 123.76 1avu s VAL 170 Ca 0.16 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1avu s VAL 170 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1avu s VAL 170 CO 0.05 0.45 0.02 0.68 0.00 0.00 0.00 175.10 176.30 1avu s VAL 171 N 0.18 0.54 0.30 2.92 -7.23 -0.56 -3.15 120.40 113.39 1avu s VAL 171 Ca 0.12 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1avu s VAL 171 Cb -0.12 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1avu s VAL 171 CO 0.01 -0.44 0.25 0.00 -0.31 0.00 0.00 175.10 174.60 1avu s GLN 172 N -3.95 1.64 -0.06 4.82 -2.07 0.20 -1.80 119.66 118.43 1avu s GLN 172 Ca 0.25 -1.93 0.03 0.00 -1.82 0.00 0.00 55.36 51.89 1avu s GLN 172 Cb 0.06 0.32 0.01 0.00 -1.09 0.00 0.00 33.01 32.31 1avu s GLN 172 CO 0.04 -0.60 -0.12 -0.06 -1.32 0.00 0.00 175.29 173.23 1avu s PHE 173 N -3.60 1.41 -0.16 9.60 0.08 -1.26 0.83 117.98 124.88 1avu s PHE 173 Ca 0.40 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1avu s PHE 173 Cb 0.03 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 1avu s PHE 173 CO 0.24 -0.23 -0.19 -1.14 -0.10 0.00 0.00 175.22 173.80 1avu s GLN 174 N 0.50 2.86 0.48 0.44 0.74 0.12 -1.37 119.66 123.42 1avu s GLN 174 Ca -0.11 -0.78 -0.24 0.00 0.05 0.00 0.00 55.36 54.27 1avu s GLN 174 Cb -0.14 -2.45 -0.08 0.00 1.10 0.00 0.00 33.01 31.45 1avu s GLN 174 CO 0.03 -0.17 1.34 1.17 -0.55 0.00 0.00 175.29 177.12 1avu n LYS 175 N 4.51 1.94 -3.23 1.67 4.81 -1.26 -0.78 118.16 125.82 1avu n LYS 175 Ca -0.20 0.70 -0.39 0.00 -0.87 0.00 0.00 58.31 57.55 1avu n LYS 175 Cb 0.50 -2.52 -0.06 0.00 0.02 0.00 0.00 35.03 32.98 1avu n LYS 175 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1avu s LEU 176 N -2.56 4.32 0.00 3.14 1.98 0.12 -4.79 118.68 120.89 1avu s LEU 176 Ca 0.65 0.98 0.27 0.00 -2.89 0.00 0.00 54.13 53.13 1avu s LEU 176 Cb -0.46 -2.83 0.76 0.00 0.66 0.00 0.00 46.19 44.33 1avu s LEU 176 CO 0.55 0.00 1.58 0.47 -1.89 0.00 0.00 176.35 177.06