#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee s SER 32 N 0.00 6.59 0.00 0.53 0.01 -1.26 -4.87 113.70 114.70 1xee s SER 32 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1xee s SER 32 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1xee s SER 32 CO 0.00 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.01 1xee n GLY 33 N 4.78 4.36 3.42 3.44 0.00 -1.26 -5.05 105.19 114.87 1xee n GLY 33 Ca 0.13 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1xee n GLY 33 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xee s LEU 34 N 0.00 4.02 0.47 0.99 2.34 -1.26 -5.06 118.68 120.19 1xee s LEU 34 Ca 0.00 -0.54 -0.22 0.00 0.06 0.00 0.00 54.13 53.43 1xee s LEU 34 Cb 0.00 -1.97 -0.07 0.00 -0.56 0.00 0.00 46.19 43.58 1xee s LEU 34 CO 0.00 -0.19 1.14 -2.16 -1.06 0.00 0.00 176.35 174.09 1xee s PRO 35 N 1.59 3.70 -0.43 1.48 0.04 -1.26 -5.01 135.00 135.11 1xee s PRO 35 Ca 0.04 1.70 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1xee s PRO 35 Cb -0.17 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.08 1xee s PRO 35 CO 0.05 -0.58 0.69 0.99 0.04 0.00 0.00 177.00 178.19 1xee s THR 36 N -1.62 4.77 0.28 1.26 2.01 -1.26 -5.03 115.64 116.05 1xee s THR 36 Ca 0.65 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.99 1xee s THR 36 Cb -0.27 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 1xee s THR 36 CO 0.32 -0.61 0.19 0.42 -0.69 0.00 0.00 174.62 174.25 1xee s THR 37 N 2.96 3.95 0.20 -0.82 -4.23 -1.26 -1.15 115.64 115.30 1xee s THR 37 Ca 0.25 -1.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 1xee s THR 37 Cb -0.13 -3.24 0.14 0.00 1.34 0.00 0.00 72.50 70.60 1xee s THR 37 CO 0.20 -0.29 1.87 0.25 -0.54 0.00 0.00 174.62 176.10 1xee h LEU 38 N 1.47 0.79 -1.26 4.79 5.85 0.10 -1.58 115.31 125.47 1xee h LEU 38 Ca -0.47 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1xee h LEU 38 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1xee h LEU 38 CO 0.60 0.57 0.00 1.23 -0.34 0.00 0.00 178.44 180.50 1xee h GLY 39 N 0.93 0.00 1.04 3.75 0.00 -1.40 0.20 103.07 107.59 1xee h GLY 39 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.27 1xee h GLY 39 CO -0.06 0.00 -1.68 0.50 0.00 0.00 0.00 176.54 175.30 1xee h LYS 40 N 0.00 0.20 0.04 4.80 1.57 -1.66 -3.26 116.57 118.26 1xee h LYS 40 Ca 0.00 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1xee h LYS 40 Cb 0.39 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xee h LYS 40 CO 0.00 1.01 -0.02 1.25 -0.57 0.00 0.00 179.45 181.12 1xee h LEU 41 N 0.06 -0.05 -0.99 2.94 7.12 -0.91 -2.55 115.31 120.92 1xee h LEU 41 Ca -0.29 -0.34 0.09 0.00 0.13 0.00 0.00 57.88 57.47 1xee h LEU 41 Cb 2.02 0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 42.04 1xee h LEU 41 CO 0.13 0.32 -0.59 -0.78 -0.13 0.00 0.00 178.44 177.39 1xee h ASP 42 N -0.42 -2.15 -0.77 1.25 3.58 -0.79 -0.89 116.42 116.23 1xee h ASP 42 Ca -0.01 0.33 0.18 0.00 0.42 0.00 0.00 57.03 57.95 1xee h ASP 42 Cb 0.38 0.95 -0.13 0.00 1.72 0.00 0.00 39.33 42.26 1xee h ASP 42 CO 0.01 -0.23 0.09 -0.08 -2.88 0.00 0.00 179.24 176.14 1xee h GLU 43 N -0.01 0.15 -0.41 0.28 4.81 -1.59 -0.07 114.58 117.75 1xee h GLU 43 Ca 0.16 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1xee h GLU 43 Cb 0.42 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1xee h GLU 43 CO -0.94 0.10 -0.12 0.00 -0.73 0.00 0.00 179.01 177.33 1xee h ARG 44 N 0.16 0.73 -0.09 1.92 2.47 -0.89 -0.22 114.38 118.46 1xee h ARG 44 Ca 0.44 -0.24 -0.04 0.00 -1.26 0.00 0.00 59.98 58.88 1xee h ARG 44 Cb 0.79 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1xee h ARG 44 CO -0.62 0.82 -0.10 -0.07 0.56 0.00 0.00 179.97 180.56 1xee h LEU 45 N 0.66 0.24 -0.05 3.04 3.38 -0.71 -2.02 115.31 119.85 1xee h LEU 45 Ca 0.11 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xee h LEU 45 Cb 0.59 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xee h LEU 45 CO 0.04 0.68 -0.00 0.03 0.09 0.00 0.00 178.44 179.28 1xee h ARG 46 N -0.20 0.08 -0.72 1.13 3.08 -0.54 -0.66 114.38 116.56 1xee h ARG 46 Ca 0.01 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.19 1xee h ARG 46 Cb 0.62 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.55 1xee h ARG 46 CO 0.02 0.38 0.14 -0.91 -1.07 0.00 0.00 179.97 178.53 1xee h ASN 47 N -0.22 -0.05 -0.18 7.04 2.35 -1.08 -0.15 115.58 123.29 1xee h ASN 47 Ca 0.01 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1xee h ASN 47 Cb 0.34 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1xee h ASN 47 CO 0.00 -0.06 0.04 0.22 -1.65 0.00 0.00 177.43 175.98 1xee h TYR 48 N 0.24 0.31 -0.70 1.19 3.20 -1.04 -3.28 116.97 116.89 1xee h TYR 48 Ca 0.40 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 1xee h TYR 48 Cb 0.68 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1xee h TYR 48 CO -0.28 0.43 0.44 1.25 -1.64 0.00 0.00 178.16 178.36 1xee h LEU 49 N 0.10 0.83 -1.99 2.82 5.85 -0.57 0.12 115.31 122.47 1xee h LEU 49 Ca 0.06 -0.05 0.20 0.00 0.84 0.00 0.00 57.88 58.92 1xee h LEU 49 Cb 0.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1xee h LEU 49 CO 0.00 0.63 0.52 0.11 -0.34 0.00 0.00 178.44 179.37 1xee h LYS 50 N 0.95 0.00 0.00 1.25 1.79 -1.11 -2.55 116.57 116.90 1xee h LYS 50 Ca 0.25 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.45 1xee h LYS 50 Cb -0.06 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.54 1xee h LYS 50 CO -0.05 0.00 -2.10 1.63 -1.08 0.00 0.00 179.45 177.85 1xee n LYS 51 N -4.17 1.23 -0.10 3.15 5.02 -0.72 -4.59 118.16 117.98 1xee n LYS 51 Ca 0.13 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 1xee n LYS 51 Cb 0.78 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 34.33 1xee n LYS 51 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1xee h GLY 52 N 3.26 0.73 -5.23 0.72 0.00 -0.43 -3.44 103.07 98.69 1xee h GLY 52 Ca -0.41 -0.71 -0.37 0.00 0.00 0.00 0.00 47.33 45.84 1xee h GLY 52 CO 0.02 0.65 -0.77 -1.08 0.00 0.00 0.00 176.54 175.36 1xee s THR 53 N -4.46 0.63 0.60 4.70 -1.32 -0.99 -5.05 115.64 109.76 1xee s THR 53 Ca -0.13 -0.38 0.31 0.00 -1.21 0.00 0.00 61.69 60.28 1xee s THR 53 Cb 0.09 -0.54 0.37 0.00 -1.51 0.00 0.00 72.50 70.90 1xee s THR 53 CO 0.82 0.15 2.15 0.50 -2.21 0.00 0.00 174.62 176.03 1xee h LYS 54 N 5.87 0.00 -0.33 7.08 3.64 -1.87 -3.19 116.57 127.77 1xee h LYS 54 Ca -0.30 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.96 1xee h LYS 54 Cb 1.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 1xee h LYS 54 CO 0.49 0.00 -0.01 0.27 -2.27 0.00 0.00 179.45 177.93 1xee n ASN 55 N -3.65 3.09 -0.25 4.20 0.23 -1.26 -4.71 115.26 112.91 1xee n ASN 55 Ca -0.00 -3.45 0.21 0.00 -0.53 0.00 0.00 54.58 50.81 1xee n ASN 55 Cb 0.25 -0.60 0.34 0.00 -2.08 0.00 0.00 39.78 37.69 1xee n ASN 55 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1xee n SER 56 N -0.89 0.10 0.00 0.53 2.88 -1.21 -1.31 113.62 113.72 1xee n SER 56 Ca 0.29 0.68 0.11 0.00 -1.33 0.00 0.00 58.87 58.62 1xee n SER 56 Cb 1.00 -0.33 0.66 0.00 -0.75 0.00 0.00 64.21 64.78 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xee n ALA 57 N -2.56 2.42 1.25 -1.46 0.00 -1.26 -3.18 120.51 115.72 1xee n ALA 57 Ca 0.20 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1xee n ALA 57 Cb 0.80 -1.36 0.33 0.00 0.00 0.00 0.00 19.45 19.23 1xee n ALA 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xee n GLN 58 N -0.94 1.23 -3.93 0.00 1.13 -0.43 -4.77 117.38 109.66 1xee n GLN 58 Ca 0.17 -0.81 -0.35 0.00 -1.94 0.00 0.00 57.00 54.07 1xee n GLN 58 Cb 0.08 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 28.83 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1xee s PHE 59 N -2.33 3.18 -0.05 1.08 0.08 -1.19 -0.36 117.98 118.39 1xee s PHE 59 Ca 0.27 -0.10 0.08 0.00 0.12 0.00 0.00 56.93 57.31 1xee s PHE 59 Cb 0.20 -2.14 -0.24 0.00 -0.57 0.00 0.00 43.02 40.27 1xee s PHE 59 CO 0.46 -0.04 0.62 1.49 -0.10 0.00 0.00 175.22 177.66 1xee h GLU 60 N 7.28 0.06 -3.30 0.44 4.81 -1.29 -3.44 114.58 119.14 1xee h GLU 60 Ca -0.37 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1xee h GLU 60 Cb 1.17 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.46 1xee h GLU 60 CO 0.65 0.67 -0.02 -1.59 -0.73 0.00 0.00 179.01 177.99 1xee s LYS 61 N -2.59 1.11 -0.00 1.92 -2.85 -1.17 -1.61 119.74 114.54 1xee s LYS 61 Ca -0.08 -0.65 0.01 0.00 -1.00 0.00 0.00 55.97 54.25 1xee s LYS 61 Cb 0.08 0.49 -0.00 0.00 -2.06 0.00 0.00 37.83 36.34 1xee s LYS 61 CO 0.81 -0.44 -0.03 0.00 0.10 0.00 0.00 175.35 175.79 1xee s MET 62 N -3.76 0.23 -0.22 1.78 0.23 0.54 0.06 119.30 118.15 1xee s MET 62 Ca 0.02 -0.12 -0.00 0.00 -1.03 0.00 0.00 55.69 54.57 1xee s MET 62 Cb 0.01 -0.22 0.03 0.00 -1.53 0.00 0.00 34.83 33.12 1xee s MET 62 CO -0.12 0.06 -0.12 0.08 -2.03 0.00 0.00 175.02 172.89 1xee s VAL 63 N -0.10 2.50 -0.31 5.16 1.01 0.17 -0.16 120.40 128.67 1xee s VAL 63 Ca 0.01 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 1xee s VAL 63 Cb -0.01 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1xee s VAL 63 CO -0.00 0.29 0.20 -0.63 0.00 0.00 0.00 175.10 174.96 1xee s ILE 64 N 1.28 5.10 -0.23 2.22 1.01 0.81 -0.48 121.20 130.91 1xee s ILE 64 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1xee s ILE 64 Cb -0.16 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1xee s ILE 64 CO -0.07 0.11 0.03 -0.76 0.00 0.00 0.00 174.94 174.25 1xee s LEU 65 N 1.71 3.33 0.00 2.97 1.02 -0.72 -0.74 118.68 126.25 1xee s LEU 65 Ca 0.06 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1xee s LEU 65 Cb -0.17 -1.87 -0.00 0.00 0.02 0.00 0.00 46.19 44.17 1xee s LEU 65 CO 0.09 0.00 0.01 0.35 0.02 0.00 0.00 176.35 176.83 1xee n THR 66 N 4.66 0.00 -1.49 5.49 -2.24 0.11 -0.63 114.28 120.17 1xee n THR 66 Ca -0.17 -2.00 -0.31 0.00 -2.27 0.00 0.00 64.05 59.31 1xee n THR 66 Cb 0.51 0.43 0.07 0.00 -2.10 0.00 0.00 70.33 69.25 1xee n THR 66 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xee s GLU 67 N -3.50 2.54 1.12 -0.78 2.02 -0.55 -4.04 118.70 115.51 1xee s GLU 67 Ca 0.02 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.92 1xee s GLU 67 Cb 0.00 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1xee s GLU 67 CO 0.01 -1.37 0.00 0.09 0.02 0.00 0.00 175.26 174.01 1xee n ASN 68 N -3.30 0.00 -0.78 -0.19 3.02 0.63 -2.08 115.26 112.55 1xee n ASN 68 Ca 0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.61 1xee n ASN 68 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1xee n ASN 68 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1xee n LYS 69 N 0.00 0.00 -2.82 3.52 2.85 -1.26 -3.39 118.16 117.06 1xee n LYS 69 Ca 0.00 -0.74 -0.43 0.00 -1.05 0.00 0.00 58.31 56.09 1xee n LYS 69 Cb 0.00 0.05 -0.04 0.00 -0.65 0.00 0.00 35.03 34.39 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1xee s GLY 70 N -0.74 1.51 -0.19 2.58 0.00 -0.88 -4.95 107.32 104.65 1xee s GLY 70 Ca 0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.05 1xee s GLY 70 CO -0.02 2.01 0.04 -0.47 0.00 0.00 0.00 173.10 174.66 1xee s TYR 71 N 3.64 0.94 -0.02 1.90 6.14 -1.25 0.04 117.35 128.73 1xee s TYR 71 Ca 0.37 -0.80 0.03 0.00 0.64 0.00 0.00 57.07 57.31 1xee s TYR 71 Cb -0.11 -0.99 -0.00 0.00 0.42 0.00 0.00 41.96 41.27 1xee s TYR 71 CO 0.24 -0.60 -0.12 0.71 0.64 0.00 0.00 175.55 176.42 1xee s TYR 72 N 1.89 1.12 -0.12 4.97 2.02 0.08 -4.98 117.35 122.33 1xee s TYR 72 Ca -0.01 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1xee s TYR 72 Cb -0.17 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1xee s TYR 72 CO -0.08 -0.06 -0.18 -0.08 -1.57 0.00 0.00 175.55 173.57 1xee s THR 73 N -0.08 2.56 -0.09 -0.71 -1.32 -1.26 -0.13 115.64 114.61 1xee s THR 73 Ca 0.01 -0.83 -0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1xee s THR 73 Cb -0.07 -2.04 0.02 0.00 -1.51 0.00 0.00 72.50 68.91 1xee s THR 73 CO 0.00 0.54 -0.05 -0.69 -2.21 0.00 0.00 174.62 172.21 1xee s VAL 74 N 0.43 0.77 -0.59 5.08 1.01 0.78 -4.96 120.40 122.91 1xee s VAL 74 Ca -0.13 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 1xee s VAL 74 Cb -0.17 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.45 1xee s VAL 74 CO 0.06 0.32 0.88 -0.31 0.00 0.00 0.00 175.10 176.05 1xee s TYR 75 N 1.64 2.80 0.32 5.22 1.51 -1.26 -0.34 117.35 127.23 1xee s TYR 75 Ca 0.02 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1xee s TYR 75 Cb -0.13 -4.07 0.22 0.00 -0.11 0.00 0.00 41.96 37.87 1xee s TYR 75 CO -0.05 -1.42 0.57 1.28 -1.11 0.00 0.00 175.55 174.81 1xee n LEU 76 N 7.28 0.00 0.07 -1.29 4.77 -0.63 -1.61 117.00 125.60 1xee n LEU 76 Ca -0.03 0.31 0.04 0.00 -0.03 0.00 0.00 56.01 56.30 1xee n LEU 76 Cb 0.46 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1xee n LEU 76 CO 0.62 -0.31 -0.05 -1.13 -1.33 0.00 0.00 177.39 175.18 1xee h ASN 77 N 0.00 0.00 -3.37 -1.43 -1.24 -1.85 -3.44 115.58 104.25 1xee h ASN 77 Ca 0.12 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 56.48 1xee h ASN 77 Cb 1.22 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 40.04 1xee h ASN 77 CO -0.00 0.39 -0.68 0.42 -1.29 0.00 0.00 177.43 176.26 1xee s THR 78 N -3.06 3.75 0.30 -3.57 -4.23 -0.63 -5.08 115.64 103.11 1xee s THR 78 Ca -0.01 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 59.81 1xee s THR 78 Cb 0.09 -2.66 -0.10 0.00 1.34 0.00 0.00 72.50 71.16 1xee s THR 78 CO 0.79 0.46 1.42 -2.16 -0.54 0.00 0.00 174.62 174.59 1xee s PRO 79 N 0.77 4.26 0.08 3.99 0.04 -1.26 -4.71 135.00 138.17 1xee s PRO 79 Ca -0.01 2.34 -0.31 0.00 0.04 0.00 0.00 61.00 63.06 1xee s PRO 79 Cb -0.14 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 1xee s PRO 79 CO 0.02 -0.38 1.91 -0.11 0.04 0.00 0.00 177.00 178.48 1xee n LEU 80 N 1.54 4.13 -4.68 -3.56 7.94 -1.26 -4.96 117.00 116.15 1xee n LEU 80 Ca 0.04 0.94 -0.38 0.00 -1.11 0.00 0.00 56.01 55.50 1xee n LEU 80 Cb 0.40 -1.54 0.05 0.00 0.53 0.00 0.00 43.42 42.87 1xee n LEU 80 CO 0.61 0.20 0.75 0.00 -1.11 0.00 0.00 177.39 177.84 1xee n ALA 81 N 6.65 0.78 -0.15 1.96 0.00 -1.26 -4.79 120.51 123.70 1xee n ALA 81 Ca 0.19 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1xee n ALA 81 Cb 0.39 -2.22 0.41 0.00 0.00 0.00 0.00 19.45 18.02 1xee n ALA 81 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xee h GLU 82 N 0.81 0.61 -0.26 0.00 4.39 -1.99 0.41 114.58 118.56 1xee h GLU 82 Ca -0.49 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.06 1xee h GLU 82 Cb 1.34 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1xee h GLU 82 CO 0.53 0.41 -0.31 -0.44 -1.16 0.00 0.00 179.01 178.04 1xee h ASP 83 N 0.63 0.54 0.76 1.42 5.19 -1.99 -0.72 116.42 122.25 1xee h ASP 83 Ca 0.31 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1xee h ASP 83 Cb 0.39 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1xee h ASP 83 CO -0.10 0.83 -0.85 0.54 -3.12 0.00 0.00 179.24 176.53 1xee n ARG 84 N -4.08 0.37 0.04 3.56 1.74 -0.28 -2.64 116.66 115.37 1xee n ARG 84 Ca -0.01 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1xee n ARG 84 Cb 0.45 -1.69 0.21 0.00 -1.02 0.00 0.00 32.46 30.41 1xee n ARG 84 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1xee h LYS 85 N 0.00 0.41 -0.50 5.56 1.57 0.55 -2.77 116.57 121.39 1xee h LYS 85 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1xee h LYS 85 Cb 0.81 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1xee h LYS 85 CO 0.00 0.67 0.00 0.09 -0.57 0.00 0.00 179.45 179.64 1xee n ASN 86 N -4.10 2.65 -4.65 0.86 4.13 -1.02 -1.84 115.26 111.30 1xee n ASN 86 Ca -0.01 -2.09 -0.42 0.00 1.68 0.00 0.00 54.58 53.74 1xee n ASN 86 Cb 0.42 -0.35 -0.04 0.00 -1.54 0.00 0.00 39.78 38.27 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xee s VAL 87 N -1.50 4.81 0.29 2.41 1.01 -1.05 -4.92 120.40 121.45 1xee s VAL 87 Ca 0.31 1.68 -0.28 0.00 0.00 0.00 0.00 61.98 63.69 1xee s VAL 87 Cb 0.17 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 1xee s VAL 87 CO 0.19 -0.08 0.94 -1.61 0.00 0.00 0.00 175.10 174.55 1xee s GLU 88 N 2.78 4.70 -0.42 2.72 2.02 -1.26 0.65 118.70 129.89 1xee s GLU 88 Ca 0.38 1.40 -0.27 0.00 0.02 0.00 0.00 54.97 56.49 1xee s GLU 88 Cb -0.15 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.10 1xee s GLU 88 CO 0.08 0.37 1.02 -0.51 0.02 0.00 0.00 175.26 176.24 1xee s LEU 89 N -1.69 3.87 0.00 1.80 1.43 -0.30 -4.78 118.68 119.00 1xee s LEU 89 Ca 0.46 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1xee s LEU 89 Cb -0.22 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1xee s LEU 89 CO 0.27 -1.04 0.10 0.18 0.23 0.00 0.00 176.35 176.09 1xee n LEU 90 N 7.23 0.00 0.00 1.79 4.77 -1.26 -4.84 117.00 124.70 1xee n LEU 90 Ca 0.09 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xee n LEU 90 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1xee n LEU 90 CO 0.64 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1xee n GLY 91 N 1.98 0.96 3.81 -0.72 0.00 -1.26 -4.16 105.19 105.79 1xee n GLY 91 Ca 0.00 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 1xee n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xee s LYS 92 N -1.08 4.29 -0.34 1.61 1.02 -1.26 -4.65 119.74 119.32 1xee s LYS 92 Ca 0.00 0.90 -0.34 0.00 0.02 0.00 0.00 55.97 56.55 1xee s LYS 92 Cb 0.00 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.26 1xee s LYS 92 CO 0.00 0.43 2.21 -0.12 -0.92 0.00 0.00 175.35 176.96 1xee n MET 93 N 0.90 1.19 0.04 1.68 0.00 -1.26 -1.48 117.12 118.19 1xee n MET 93 Ca -0.03 0.31 -0.02 0.00 -0.00 0.00 0.00 57.70 57.96 1xee n MET 93 Cb 0.51 -2.60 -0.01 0.00 0.00 0.00 0.00 33.22 31.12 1xee n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1xee h TYR 94 N 13.05 -0.12 -1.37 1.12 3.20 -1.10 0.10 116.97 131.85 1xee h TYR 94 Ca -0.29 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.68 1xee h TYR 94 Cb 1.31 0.04 -0.21 0.00 1.54 0.00 0.00 36.73 39.41 1xee h TYR 94 CO 0.96 -0.08 -0.16 0.15 -1.64 0.00 0.00 178.16 177.39 1xee s LYS 95 N -2.03 0.54 -0.21 1.82 1.02 -0.78 -3.28 119.74 116.82 1xee s LYS 95 Ca -0.02 1.14 -0.20 0.00 0.02 0.00 0.00 55.97 56.91 1xee s LYS 95 Cb 0.00 0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 37.95 1xee s LYS 95 CO 0.06 -0.39 0.59 0.99 -0.92 0.00 0.00 175.35 175.67 1xee s THR 96 N 2.86 5.04 -0.18 2.17 2.01 0.41 -1.76 115.64 126.19 1xee s THR 96 Ca 0.07 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.13 1xee s THR 96 Cb -0.13 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1xee s THR 96 CO -0.19 0.11 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.47 1xee s TYR 97 N 1.97 2.93 -0.13 4.92 2.02 0.36 0.08 117.35 129.50 1xee s TYR 97 Ca 0.26 -0.75 -0.06 0.00 -0.37 0.00 0.00 57.07 56.16 1xee s TYR 97 Cb -0.16 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 1xee s TYR 97 CO 0.10 -0.37 0.09 -0.06 -1.57 0.00 0.00 175.55 173.74 1xee s PHE 98 N 0.98 3.42 -0.24 2.71 0.40 0.18 0.42 117.98 125.85 1xee s PHE 98 Ca -0.00 0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.64 1xee s PHE 98 Cb -0.15 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.43 1xee s PHE 98 CO 0.00 0.52 -0.04 -0.06 0.70 0.00 0.00 175.22 176.34 1xee s PHE 99 N -0.57 3.01 0.58 0.36 0.08 0.11 -2.26 117.98 119.28 1xee s PHE 99 Ca 0.12 -1.21 -0.18 0.00 0.12 0.00 0.00 56.93 55.78 1xee s PHE 99 Cb -0.12 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 1xee s PHE 99 CO 0.02 -0.63 1.11 0.15 -0.10 0.00 0.00 175.22 175.76 1xee s LYS 100 N 1.41 3.21 -1.24 0.44 1.02 -1.22 -0.88 119.74 122.48 1xee s LYS 100 Ca 0.03 1.47 -0.14 0.00 0.02 0.00 0.00 55.97 57.35 1xee s LYS 100 Cb -0.15 -2.00 0.14 0.00 -0.52 0.00 0.00 37.83 35.30 1xee s LYS 100 CO -0.04 -0.94 1.55 1.17 -0.92 0.00 0.00 175.35 176.18 1xee n LYS 101 N -1.72 3.33 0.00 1.68 4.81 0.52 -2.24 118.16 124.53 1xee n LYS 101 Ca 0.11 -3.67 0.00 0.00 -0.87 0.00 0.00 58.31 53.88 1xee n LYS 101 Cb 0.52 -3.15 0.00 0.00 0.02 0.00 0.00 35.03 32.42 1xee n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xee n GLY 102 N 4.32 -0.31 2.97 3.14 0.00 -1.26 -4.99 105.19 109.07 1xee n GLY 102 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 1xee n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xee s GLU 103 N 0.00 1.76 0.00 1.61 -1.05 -0.95 -5.03 118.70 115.04 1xee s GLU 103 Ca 0.00 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 1xee s GLU 103 Cb 0.00 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 1xee s GLU 103 CO 0.00 -0.61 1.33 0.45 0.95 0.00 0.00 175.26 177.38 1xee n SER 104 N 4.60 3.61 -4.79 0.83 2.88 -1.26 -3.43 113.62 116.07 1xee n SER 104 Ca -0.12 -1.93 -0.39 0.00 -1.33 0.00 0.00 58.87 55.10 1xee n SER 104 Cb 0.43 -0.74 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1xee s LYS 105 N 0.46 4.34 -0.65 -1.46 1.02 -1.26 -5.04 119.74 117.16 1xee s LYS 105 Ca 0.00 0.88 -0.26 0.00 0.02 0.00 0.00 55.97 56.60 1xee s LYS 105 Cb 0.00 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1xee s LYS 105 CO 0.00 0.55 1.78 -1.54 -0.92 0.00 0.00 175.35 175.22 1xee s SER 106 N -0.87 5.40 -0.00 2.83 1.04 -1.26 -4.14 113.70 116.70 1xee s SER 106 Ca 0.32 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.92 1xee s SER 106 Cb -0.20 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 1xee s SER 106 CO 0.21 -2.32 0.07 -1.54 0.98 0.00 0.00 173.24 170.64 1xee n SER 107 N 12.32 1.92 -3.69 7.02 3.41 -0.96 -4.88 113.62 128.77 1xee n SER 107 Ca 0.19 -0.32 -0.19 0.00 -0.26 0.00 0.00 58.87 58.29 1xee n SER 107 Cb 0.51 1.04 -0.17 0.00 -0.26 0.00 0.00 64.21 65.33 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xee s TYR 108 N -1.59 0.02 -0.01 7.33 6.14 -1.24 -5.01 117.35 122.99 1xee s TYR 108 Ca 0.00 0.28 0.04 0.00 0.64 0.00 0.00 57.07 58.03 1xee s TYR 108 Cb 0.02 -0.40 -0.01 0.00 0.42 0.00 0.00 41.96 41.98 1xee s TYR 108 CO 0.09 -0.18 -0.14 0.54 0.64 0.00 0.00 175.55 176.50 1xee s VAL 109 N 1.95 1.09 -0.23 3.14 0.11 -1.25 0.48 120.40 125.70 1xee s VAL 109 Ca 0.02 -0.61 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 1xee s VAL 109 Cb -0.12 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1xee s VAL 109 CO -0.03 0.30 0.05 -0.63 -3.33 0.00 0.00 175.10 171.45 1xee s ILE 110 N -0.34 4.27 0.06 7.04 1.01 0.11 -4.91 121.20 128.44 1xee s ILE 110 Ca 0.05 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 1xee s ILE 110 Cb -0.05 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 1xee s ILE 110 CO -0.00 0.38 0.49 0.54 0.00 0.00 0.00 174.94 176.35 1xee s ASN 111 N 1.26 6.90 0.00 3.58 4.22 -1.26 -0.44 114.94 129.20 1xee s ASN 111 Ca 0.04 1.09 0.00 0.00 -2.14 0.00 0.00 52.86 51.85 1xee s ASN 111 Cb -0.15 -2.29 0.00 0.00 1.28 0.00 0.00 41.25 40.09 1xee s ASN 111 CO 0.03 0.25 0.00 0.61 -2.04 0.00 0.00 177.10 175.95 1xee n GLY 112 N 1.52 4.82 0.41 0.45 0.00 -1.20 -5.02 105.19 106.17 1xee n GLY 112 Ca -0.11 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.28 1xee n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xee n PRO 113 N 0.00 1.52 -1.90 1.61 -0.04 -1.16 -4.82 135.00 130.21 1xee n PRO 113 Ca 0.00 -0.80 -0.42 0.00 -0.04 0.00 0.00 63.50 62.24 1xee n PRO 113 Cb 0.00 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1xee n PRO 113 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xee s GLY 114 N -1.07 1.52 -0.20 0.55 0.00 0.34 -4.85 107.32 103.60 1xee s GLY 114 Ca 0.17 1.08 0.13 0.00 0.00 0.00 0.00 44.72 46.11 1xee s GLY 114 CO 0.12 3.14 -0.00 1.17 0.00 0.00 0.00 173.10 177.53 1xee n LYS 115 N 7.05 0.82 -4.19 2.90 4.81 -1.26 -4.47 118.16 123.80 1xee n LYS 115 Ca 0.18 0.03 -0.19 0.00 -0.87 0.00 0.00 58.31 57.45 1xee n LYS 115 Cb 0.42 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.86 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1xee s THR 116 N -2.47 1.23 -2.77 3.15 -1.32 -1.26 -5.02 115.64 107.19 1xee s THR 116 Ca -0.15 -1.36 0.24 0.00 -1.21 0.00 0.00 61.69 59.21 1xee s THR 116 Cb 0.06 -1.18 0.20 0.00 -1.51 0.00 0.00 72.50 70.08 1xee s THR 116 CO 0.73 -0.20 1.29 -3.20 -2.21 0.00 0.00 174.62 171.04 1xee n ASN 117 N 1.22 2.64 -1.69 8.08 4.05 -1.26 -3.70 115.26 124.60 1xee n ASN 117 Ca -0.21 -1.85 0.00 0.00 0.45 0.00 0.00 54.58 52.98 1xee n ASN 117 Cb 0.54 0.08 0.00 0.00 1.23 0.00 0.00 39.78 41.63 1xee n ASN 117 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1xee n GLU 118 N 0.96 1.19 -1.59 1.20 -0.58 -1.26 -4.36 120.64 116.21 1xee n GLU 118 Ca 0.14 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.43 1xee n GLU 118 Cb 0.55 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.40 1xee n GLU 118 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1xee n TYR 119 N -0.94 1.27 -2.57 -0.32 4.11 -1.22 -0.27 117.16 117.23 1xee n TYR 119 Ca 0.00 0.70 -0.35 0.00 -0.00 0.00 0.00 57.90 58.26 1xee n TYR 119 Cb 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 39.34 37.09 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1xee n ALA 120 N 0.29 5.61 1.00 -3.48 0.00 -1.26 -4.68 120.51 118.00 1xee n ALA 120 Ca 0.10 -4.50 0.12 0.00 0.00 0.00 0.00 53.44 49.15 1xee n ALA 120 Cb 0.32 -1.49 0.10 0.00 0.00 0.00 0.00 19.45 18.38 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48