#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 4.50 0.53 1.20 0.01 -1.26 -4.87 113.70 113.81 1xee s SER 32 Ca 0.00 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.68 1xee s SER 32 Cb 0.00 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1xee s SER 32 CO 0.00 -1.98 0.00 0.61 0.41 0.00 0.00 173.24 172.28 1xee n GLY 33 N -1.89 -1.62 3.57 3.44 0.00 -1.26 -4.92 105.19 102.51 1xee n GLY 33 Ca 0.07 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 4.29 -1.00 0.99 2.34 -1.26 -5.07 118.68 118.97 1xee s LEU 34 Ca 0.00 0.09 -0.23 0.00 0.06 0.00 0.00 54.13 54.05 1xee s LEU 34 Cb 0.00 -2.65 0.02 0.00 -0.56 0.00 0.00 46.19 43.00 1xee s LEU 34 CO 0.00 -0.49 1.61 -2.84 -1.06 0.00 0.00 176.35 173.56 1xee s PRO 35 N 2.48 3.30 -1.11 1.48 0.02 -1.26 -4.93 135.00 134.98 1xee s PRO 35 Ca 0.21 -0.92 -0.19 0.00 0.02 0.00 0.00 61.00 60.11 1xee s PRO 35 Cb -0.15 -5.28 0.09 0.00 0.02 0.00 0.00 34.50 29.18 1xee s PRO 35 CO 0.13 -2.56 1.46 0.95 -0.33 0.00 0.00 177.00 176.65 1xee s THR 36 N 6.46 4.34 0.07 0.99 -4.23 -1.26 -4.94 115.64 117.07 1xee s THR 36 Ca 0.53 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1xee s THR 36 Cb -0.02 -5.01 -0.04 0.00 1.34 0.00 0.00 72.50 68.77 1xee s THR 36 CO -0.06 -1.82 0.10 0.42 -0.54 0.00 0.00 174.62 172.72 1xee s THR 37 N 3.70 4.66 0.13 3.99 -4.23 -1.26 -0.36 115.64 122.26 1xee s THR 37 Ca 0.45 -0.70 -0.23 0.00 -1.18 0.00 0.00 61.69 60.03 1xee s THR 37 Cb -0.00 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 1xee s THR 37 CO -0.03 0.14 1.66 0.25 -0.54 0.00 0.00 174.62 176.10 1xee h LEU 38 N 3.31 -0.54 -1.50 4.79 5.85 -0.32 -0.90 115.31 126.01 1xee h LEU 38 Ca -0.47 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1xee h LEU 38 Cb 1.16 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1xee h LEU 38 CO 0.67 -0.23 -0.26 1.23 -0.34 0.00 0.00 178.44 179.51 1xee h GLY 39 N -0.26 0.00 1.24 3.75 0.00 -1.34 0.22 103.07 106.69 1xee h GLY 39 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.08 1xee h GLY 39 CO -0.22 0.00 -1.41 1.70 0.00 0.00 0.00 176.54 176.61 1xee h LYS 40 N 0.00 0.56 0.04 4.80 3.64 -1.60 -2.50 116.57 121.51 1xee h LYS 40 Ca -0.00 -0.91 0.01 0.00 -1.27 0.00 0.00 60.65 58.49 1xee h LYS 40 Cb 0.49 0.33 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1xee h LYS 40 CO 0.03 1.43 -0.12 1.25 -2.27 0.00 0.00 179.45 179.78 1xee h LEU 41 N 0.17 -0.32 -0.77 5.20 7.12 -0.94 -2.54 115.31 123.23 1xee h LEU 41 Ca -0.24 0.04 0.14 0.00 0.13 0.00 0.00 57.88 57.95 1xee h LEU 41 Cb 2.10 0.13 -0.14 0.00 -0.53 0.00 0.00 40.66 42.22 1xee h LEU 41 CO 0.27 -0.17 -0.28 -0.78 -0.13 0.00 0.00 178.44 177.34 1xee h ASP 42 N -0.22 -1.02 -0.44 1.25 3.58 -0.64 -0.90 116.42 118.04 1xee h ASP 42 Ca 0.03 0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.81 1xee h ASP 42 Cb 0.25 0.58 -0.07 0.00 1.72 0.00 0.00 39.33 41.80 1xee h ASP 42 CO -0.09 -0.28 0.01 -0.08 -2.88 0.00 0.00 179.24 175.92 1xee h GLU 43 N -0.06 0.11 -0.25 0.28 4.57 -1.38 -1.06 114.58 116.80 1xee h GLU 43 Ca 0.33 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.43 1xee h GLU 43 Cb 0.58 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1xee h GLU 43 CO -0.81 0.08 -0.13 0.00 -1.18 0.00 0.00 179.01 176.97 1xee h ARG 44 N 0.12 0.41 -0.08 1.92 -0.00 -0.93 0.65 114.38 116.46 1xee h ARG 44 Ca 0.22 -0.11 -0.21 0.00 -0.50 0.00 0.00 59.98 59.37 1xee h ARG 44 Cb 0.31 -0.05 0.01 0.00 0.00 0.00 0.00 29.97 30.25 1xee h ARG 44 CO -0.35 0.54 -0.78 -0.07 0.00 0.00 0.00 179.97 179.31 1xee h LEU 45 N 0.38 0.83 -0.20 3.04 3.38 -0.56 -1.16 115.31 121.02 1xee h LEU 45 Ca 0.07 -0.68 -0.15 0.00 0.09 0.00 0.00 57.88 57.22 1xee h LEU 45 Cb 0.46 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xee h LEU 45 CO 0.03 1.38 -0.45 0.03 0.09 0.00 0.00 178.44 179.51 1xee h ARG 46 N 0.34 0.66 -0.43 1.13 3.08 -0.99 -2.29 114.38 115.89 1xee h ARG 46 Ca -0.07 -0.45 0.09 0.00 0.07 0.00 0.00 59.98 59.62 1xee h ARG 46 Cb 1.43 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 31.45 1xee h ARG 46 CO 0.16 1.06 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.99 1xee h ASN 47 N 0.36 -0.75 -0.63 7.04 2.35 -0.76 0.11 115.58 123.30 1xee h ASN 47 Ca 0.00 0.17 0.13 0.00 -0.55 0.00 0.00 56.30 56.05 1xee h ASN 47 Cb 1.06 0.40 -0.12 0.00 0.05 0.00 0.00 38.32 39.72 1xee h ASN 47 CO 0.10 -0.25 -0.11 1.88 -1.65 0.00 0.00 177.43 177.41 1xee h TYR 48 N -0.14 -0.24 -0.75 1.19 0.05 -1.01 0.97 116.97 117.05 1xee h TYR 48 Ca 0.20 0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.99 1xee h TYR 48 Cb 0.46 0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 1xee h TYR 48 CO -0.47 -0.24 0.29 -0.07 -1.05 0.00 0.00 178.16 176.62 1xee h LEU 49 N 0.03 1.04 0.21 3.88 3.38 -0.87 -2.98 115.31 119.99 1xee h LEU 49 Ca 0.31 -0.18 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 1xee h LEU 49 Cb 0.49 -0.27 0.03 0.00 0.09 0.00 0.00 40.66 41.01 1xee h LEU 49 CO -0.62 0.93 -1.19 0.11 0.09 0.00 0.00 178.44 177.77 1xee h LYS 50 N 1.08 0.44 0.00 1.13 1.79 -0.51 0.23 116.57 120.72 1xee h LYS 50 Ca 0.25 -0.75 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1xee h LYS 50 Cb 0.22 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1xee h LYS 50 CO -0.02 1.36 0.08 1.17 -1.08 0.00 0.00 179.45 180.96 1xee n LYS 51 N -3.90 0.00 0.00 3.15 4.81 0.31 -3.83 118.16 118.70 1xee n LYS 51 Ca -0.16 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1xee n LYS 51 Cb 0.98 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 34.45 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xee n GLY 52 N -1.30 0.00 2.94 3.14 0.00 -0.83 -5.07 105.19 104.08 1xee n GLY 52 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1xee n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xee s THR 53 N -1.85 0.02 0.00 2.61 -1.32 0.73 -5.05 115.64 110.79 1xee s THR 53 Ca 0.00 -0.20 -0.25 0.00 -1.21 0.00 0.00 61.69 60.04 1xee s THR 53 Cb 0.00 -0.13 -0.17 0.00 -1.51 0.00 0.00 72.50 70.69 1xee s THR 53 CO 0.00 -0.11 1.23 0.11 -2.21 0.00 0.00 174.62 173.64 1xee h LYS 54 N 5.72 -0.32 -2.18 7.08 1.57 -1.83 -3.35 116.57 123.26 1xee h LYS 54 Ca -0.26 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1xee h LYS 54 Cb 1.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xee h LYS 54 CO 0.46 0.01 0.05 0.27 -0.57 0.00 0.00 179.45 179.68 1xee n ASN 55 N -5.08 0.00 0.12 0.86 0.23 -1.26 -4.32 115.26 105.81 1xee n ASN 55 Ca -0.09 -0.65 0.01 0.00 -0.53 0.00 0.00 54.58 53.32 1xee n ASN 55 Cb 0.25 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.95 1xee n ASN 55 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1xee h SER 56 N 3.49 0.00 -0.04 0.53 0.87 -1.90 -1.84 113.55 114.66 1xee h SER 56 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xee h SER 56 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xee h SER 56 CO 0.05 0.55 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 1xee n ALA 57 N -2.26 2.59 0.01 6.23 0.00 -1.26 -3.15 120.51 122.67 1xee n ALA 57 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.32 1xee n ALA 57 Cb 0.77 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 1xee n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xee n GLN 58 N -0.51 0.65 -2.71 0.00 7.27 -0.69 -4.74 117.38 116.64 1xee n GLN 58 Ca 0.15 -0.12 -0.40 0.00 0.07 0.00 0.00 57.00 56.70 1xee n GLN 58 Cb 0.13 -1.59 -0.05 0.00 2.41 0.00 0.00 30.24 31.14 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1xee s PHE 59 N -3.45 3.91 -0.22 3.69 0.08 -1.19 -0.09 117.98 120.72 1xee s PHE 59 Ca -0.06 1.87 0.08 0.00 0.12 0.00 0.00 56.93 58.93 1xee s PHE 59 Cb 0.13 -3.03 -0.21 0.00 -0.57 0.00 0.00 43.02 39.34 1xee s PHE 59 CO 0.88 0.29 -0.04 -1.91 -0.10 0.00 0.00 175.22 174.34 1xee n GLU 60 N 1.73 0.67 -3.83 0.44 2.13 0.70 -3.71 120.64 118.78 1xee n GLU 60 Ca -0.01 0.11 -0.09 0.00 0.66 0.00 0.00 57.16 57.83 1xee n GLU 60 Cb 0.47 -1.55 -0.05 0.00 0.27 0.00 0.00 31.44 30.59 1xee n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xee s LYS 61 N -2.52 1.35 -0.06 5.31 -2.85 -1.01 -1.27 119.74 118.69 1xee s LYS 61 Ca -0.24 -0.99 -0.05 0.00 -1.00 0.00 0.00 55.97 53.70 1xee s LYS 61 Cb 0.08 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1xee s LYS 61 CO 0.71 -0.55 0.15 0.00 0.10 0.00 0.00 175.35 175.75 1xee s MET 62 N -3.91 0.16 -0.26 1.78 0.23 0.12 0.71 119.30 118.12 1xee s MET 62 Ca 0.13 0.24 -0.04 0.00 -1.03 0.00 0.00 55.69 54.99 1xee s MET 62 Cb 0.00 0.03 0.01 0.00 -1.53 0.00 0.00 34.83 33.35 1xee s MET 62 CO -0.01 -0.05 -0.01 0.08 -2.03 0.00 0.00 175.02 173.00 1xee s VAL 63 N 0.31 3.34 -0.34 5.16 1.01 0.13 -1.27 120.40 128.72 1xee s VAL 63 Ca -0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1xee s VAL 63 Cb -0.03 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1xee s VAL 63 CO -0.01 0.20 0.26 -0.63 0.00 0.00 0.00 175.10 174.92 1xee s ILE 64 N 1.41 5.27 -0.25 2.22 1.01 -0.31 -0.76 121.20 129.79 1xee s ILE 64 Ca 0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1xee s ILE 64 Cb -0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1xee s ILE 64 CO -0.02 -0.03 0.12 -0.76 0.00 0.00 0.00 174.94 174.25 1xee s LEU 65 N 1.76 3.75 0.00 2.97 2.01 0.15 -1.54 118.68 127.77 1xee s LEU 65 Ca 0.07 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.14 1xee s LEU 65 Cb -0.17 -2.01 -0.00 0.00 0.01 0.00 0.00 46.19 44.02 1xee s LEU 65 CO 0.11 0.00 0.01 0.35 1.01 0.00 0.00 176.35 177.83 1xee n THR 66 N 4.70 0.00 -1.08 5.49 -2.24 0.04 0.06 114.28 121.26 1xee n THR 66 Ca -0.15 -1.45 -0.30 0.00 -2.27 0.00 0.00 64.05 59.88 1xee n THR 66 Cb 0.52 0.31 0.15 0.00 -2.10 0.00 0.00 70.33 69.21 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 -3.09 1.07 0.83 -0.78 2.02 -0.66 -4.00 118.70 114.09 1xee s GLU 67 Ca 0.01 0.94 0.00 0.00 0.02 0.00 0.00 54.97 55.94 1xee s GLU 67 Cb 0.00 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1xee s GLU 67 CO 0.01 -2.40 0.00 0.09 0.02 0.00 0.00 175.26 172.97 1xee n ASN 68 N -4.01 0.00 -1.29 -0.19 3.02 0.31 -2.19 115.26 110.91 1xee n ASN 68 Ca 0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.56 1xee n ASN 68 Cb 0.55 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.24 -2.77 3.52 0.00 -1.26 -3.42 118.16 114.47 1xee n LYS 69 Ca 0.00 -1.04 -0.43 0.00 -0.00 0.00 0.00 58.31 56.84 1xee n LYS 69 Cb 0.00 0.48 -0.03 0.00 -0.00 0.00 0.00 35.03 35.48 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1xee s GLY 70 N -1.03 1.53 -0.23 2.58 0.00 -0.93 -4.97 107.32 104.27 1xee s GLY 70 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 1xee s GLY 70 CO -0.02 2.09 0.05 -0.47 0.00 0.00 0.00 173.10 174.75 1xee s TYR 71 N 3.63 1.21 -0.10 1.90 6.14 -1.26 -0.78 117.35 128.09 1xee s TYR 71 Ca 0.40 -1.11 0.02 0.00 0.64 0.00 0.00 57.07 57.02 1xee s TYR 71 Cb -0.11 -1.21 0.01 0.00 0.42 0.00 0.00 41.96 41.07 1xee s TYR 71 CO 0.21 -0.70 -0.16 0.71 0.64 0.00 0.00 175.55 176.24 1xee s TYR 72 N 1.79 2.02 -0.37 4.97 2.02 -0.59 -5.00 117.35 122.19 1xee s TYR 72 Ca 0.02 -0.91 -0.13 0.00 -0.37 0.00 0.00 57.07 55.68 1xee s TYR 72 Cb -0.17 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1xee s TYR 72 CO -0.14 -0.44 0.25 0.99 -1.57 0.00 0.00 175.55 174.64 1xee s THR 73 N 0.83 5.10 0.01 -0.71 2.01 -1.26 -1.16 115.64 120.45 1xee s THR 73 Ca -0.10 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.48 1xee s THR 73 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1xee s THR 73 CO 0.01 -0.15 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.86 1xee s VAL 74 N 1.67 1.91 -0.26 3.82 1.01 -0.40 -5.01 120.40 123.13 1xee s VAL 74 Ca 0.05 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1xee s VAL 74 Cb -0.18 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1xee s VAL 74 CO 0.09 0.44 -0.08 -0.31 0.00 0.00 0.00 175.10 175.24 1xee s TYR 75 N -0.65 3.19 0.46 5.22 1.51 -1.26 0.10 117.35 125.92 1xee s TYR 75 Ca 0.10 -2.04 0.37 0.00 -1.01 0.00 0.00 57.07 54.48 1xee s TYR 75 Cb -0.09 -1.99 1.50 0.00 -0.11 0.00 0.00 41.96 41.27 1xee s TYR 75 CO 0.00 -0.83 1.49 1.28 -1.11 0.00 0.00 175.55 176.37 1xee n LEU 76 N 4.53 0.13 0.07 -1.29 4.77 -0.40 -3.78 117.00 121.04 1xee n LEU 76 Ca -0.15 1.20 0.12 0.00 -0.03 0.00 0.00 56.01 57.14 1xee n LEU 76 Cb 0.44 -0.59 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1xee n LEU 76 CO 0.24 -1.27 0.14 -3.20 -1.33 0.00 0.00 177.39 171.96 1xee n ASN 77 N -4.35 0.73 -4.37 -1.43 5.15 -1.17 -4.78 115.26 105.04 1xee n ASN 77 Ca 0.40 0.14 -0.25 0.00 -0.60 0.00 0.00 54.58 54.27 1xee n ASN 77 Cb 1.64 0.42 -0.12 0.00 -0.53 0.00 0.00 39.78 41.20 1xee n ASN 77 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xee s THR 78 N -3.26 2.08 0.50 -0.44 -4.23 -1.25 -5.08 115.64 103.96 1xee s THR 78 Ca 0.03 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 1xee s THR 78 Cb 0.12 -1.96 -0.08 0.00 1.34 0.00 0.00 72.50 71.92 1xee s THR 78 CO 0.77 -0.19 1.03 -2.84 -0.54 0.00 0.00 174.62 172.84 1xee s PRO 79 N -2.66 3.78 0.16 3.99 0.02 -1.26 -4.68 135.00 134.34 1xee s PRO 79 Ca 0.17 1.31 -0.30 0.00 0.02 0.00 0.00 61.00 62.20 1xee s PRO 79 Cb -0.07 -2.09 -0.07 0.00 0.02 0.00 0.00 34.50 32.28 1xee s PRO 79 CO 0.08 -0.44 1.15 -1.17 -0.33 0.00 0.00 177.00 176.28 1xee s LEU 80 N -3.62 4.45 -0.13 -5.54 2.96 -1.26 -4.96 118.68 110.59 1xee s LEU 80 Ca 0.66 2.12 -0.35 0.00 -0.22 0.00 0.00 54.13 56.34 1xee s LEU 80 Cb -0.15 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.81 1xee s LEU 80 CO 0.22 -0.31 1.87 0.00 -1.32 0.00 0.00 176.35 176.81 1xee n ALA 81 N 2.69 0.71 -0.38 5.97 0.00 -1.26 -4.86 120.51 123.38 1xee n ALA 81 Ca 0.04 0.29 0.31 0.00 0.00 0.00 0.00 53.44 54.08 1xee n ALA 81 Cb 0.46 -2.46 0.58 0.00 0.00 0.00 0.00 19.45 18.02 1xee n ALA 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xee h GLU 82 N 9.02 0.17 0.00 0.00 4.11 -2.00 0.10 114.58 125.99 1xee h GLU 82 Ca -0.48 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 1xee h GLU 82 Cb 1.28 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1xee h GLU 82 CO 0.95 0.12 -0.21 -0.44 0.07 0.00 0.00 179.01 179.50 1xee h ASP 83 N 0.18 0.00 0.05 3.06 5.19 -2.02 -1.96 116.42 120.91 1xee h ASP 83 Ca 0.77 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.18 1xee h ASP 83 Cb 2.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.66 1xee h ASP 83 CO -0.50 0.21 -0.68 0.54 -3.12 0.00 0.00 179.24 175.69 1xee n ARG 84 N -4.27 0.60 0.05 3.56 1.74 0.28 -4.08 116.66 114.54 1xee n ARG 84 Ca -0.02 -0.48 -0.05 0.00 -0.77 0.00 0.00 57.85 56.53 1xee n ARG 84 Cb 0.27 -1.49 0.16 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.17 0.38 -0.57 5.56 1.57 -0.56 -2.41 116.57 121.71 1xee h LYS 85 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1xee h LYS 85 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1xee h LYS 85 CO 0.00 0.75 0.00 -1.71 -0.57 0.00 0.00 179.45 177.92 1xee n ASN 86 N -4.01 2.94 -4.68 0.86 4.05 -1.23 -1.34 115.26 111.86 1xee n ASN 86 Ca -0.02 -2.23 -0.40 0.00 0.45 0.00 0.00 54.58 52.38 1xee n ASN 86 Cb 0.51 -0.43 -0.05 0.00 1.23 0.00 0.00 39.78 41.04 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xee s VAL 87 N -1.68 5.03 0.11 3.44 1.01 -0.91 -4.85 120.40 122.55 1xee s VAL 87 Ca 0.30 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 1xee s VAL 87 Cb 0.19 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1xee s VAL 87 CO 0.15 0.17 0.59 -1.83 0.00 0.00 0.00 175.10 174.18 1xee s GLU 88 N 1.47 4.16 -0.03 2.72 1.03 -1.26 0.27 118.70 127.07 1xee s GLU 88 Ca 0.32 0.71 -0.30 0.00 0.03 0.00 0.00 54.97 55.73 1xee s GLU 88 Cb -0.16 -3.12 -0.03 0.00 -0.80 0.00 0.00 34.13 30.03 1xee s GLU 88 CO 0.13 0.57 1.01 -0.51 -1.33 0.00 0.00 175.26 175.13 1xee s LEU 89 N -1.44 4.33 0.00 1.83 1.43 0.51 -4.82 118.68 120.53 1xee s LEU 89 Ca 0.33 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1xee s LEU 89 Cb -0.18 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1xee s LEU 89 CO 0.20 -0.34 0.00 0.18 0.23 0.00 0.00 176.35 176.61 1xee n LEU 90 N 4.29 0.00 0.00 1.79 4.77 -1.26 -4.90 117.00 121.69 1xee n LEU 90 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1xee n LEU 90 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1xee n LEU 90 CO 0.52 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1xee n GLY 91 N 0.64 0.81 3.81 -0.72 0.00 -1.26 -4.04 105.19 104.42 1xee n GLY 91 Ca 0.00 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.48 4.35 0.01 1.61 1.02 -1.26 -4.63 119.74 119.36 1xee s LYS 92 Ca 0.00 1.06 -0.32 0.00 0.02 0.00 0.00 55.97 56.74 1xee s LYS 92 Cb 0.00 -2.70 -0.10 0.00 -0.52 0.00 0.00 37.83 34.51 1xee s LYS 92 CO 0.00 0.26 1.91 -0.12 -0.92 0.00 0.00 175.35 176.49 1xee n MET 93 N 0.34 2.61 -0.09 1.68 0.00 -1.26 -1.65 117.12 118.75 1xee n MET 93 Ca 0.01 0.95 -0.13 0.00 -0.00 0.00 0.00 57.70 58.54 1xee n MET 93 Cb 0.51 -2.86 -0.05 0.00 0.00 0.00 0.00 33.22 30.82 1xee n MET 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1xee n TYR 94 N 6.85 0.65 -3.78 1.12 9.36 0.11 -0.63 117.16 130.84 1xee n TYR 94 Ca 0.21 0.28 -0.13 0.00 3.32 0.00 0.00 57.90 61.58 1xee n TYR 94 Cb 0.36 -0.83 -0.12 0.00 -0.63 0.00 0.00 39.34 38.12 1xee n TYR 94 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1xee s LYS 95 N -2.44 0.24 -0.16 2.98 -0.14 -0.84 -0.90 119.74 118.47 1xee s LYS 95 Ca -0.24 0.35 0.02 0.00 -1.36 0.00 0.00 55.97 54.73 1xee s LYS 95 Cb 0.05 0.06 0.02 0.00 -1.68 0.00 0.00 37.83 36.28 1xee s LYS 95 CO 0.39 -0.06 -0.20 0.99 -0.76 0.00 0.00 175.35 175.71 1xee s THR 96 N 0.38 2.00 -0.37 2.17 2.01 -0.12 -0.68 115.64 121.03 1xee s THR 96 Ca -0.02 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 1xee s THR 96 Cb -0.04 -1.79 0.07 0.00 0.01 0.00 0.00 72.50 70.75 1xee s THR 96 CO -0.02 0.53 0.14 -0.31 -0.69 0.00 0.00 174.62 174.28 1xee s TYR 97 N 1.08 3.35 -0.06 4.92 2.02 0.06 -0.65 117.35 128.07 1xee s TYR 97 Ca -0.01 -1.76 -0.19 0.00 -0.37 0.00 0.00 57.07 54.74 1xee s TYR 97 Cb -0.14 -2.62 -0.05 0.00 -0.40 0.00 0.00 41.96 38.75 1xee s TYR 97 CO -0.07 -0.83 0.53 -0.06 -1.57 0.00 0.00 175.55 173.55 1xee s PHE 98 N 1.32 3.60 0.11 2.71 0.40 0.50 0.17 117.98 126.79 1xee s PHE 98 Ca 0.01 1.04 0.07 0.00 -0.60 0.00 0.00 56.93 57.45 1xee s PHE 98 Cb -0.21 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 1xee s PHE 98 CO 0.00 0.27 -0.09 -0.06 0.70 0.00 0.00 175.22 176.05 1xee s PHE 99 N 0.18 2.75 0.34 0.36 0.08 0.22 -3.70 117.98 118.21 1xee s PHE 99 Ca 0.29 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1xee s PHE 99 Cb -0.17 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1xee s PHE 99 CO 0.14 0.44 0.53 0.15 -0.10 0.00 0.00 175.22 176.38 1xee s LYS 100 N -2.31 3.43 -1.31 0.44 1.02 -1.20 -0.21 119.74 119.60 1xee s LYS 100 Ca 0.22 -0.42 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 1xee s LYS 100 Cb -0.11 -2.69 0.13 0.00 -0.52 0.00 0.00 37.83 34.65 1xee s LYS 100 CO 0.14 0.15 2.29 1.17 -0.92 0.00 0.00 175.35 178.18 1xee n LYS 101 N -1.76 4.47 0.00 1.68 3.00 0.87 -3.85 118.16 122.58 1xee n LYS 101 Ca -0.05 -3.51 0.00 0.00 -0.00 0.00 0.00 58.31 54.75 1xee n LYS 101 Cb 0.56 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1xee n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xee n GLY 102 N 1.84 0.05 3.33 3.14 0.00 -1.26 -4.96 105.19 107.32 1xee n GLY 102 Ca 0.58 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 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 2.89 -0.01 1.61 -1.05 -1.25 -5.03 118.70 115.86 1xee s GLU 103 Ca 0.00 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 1xee s GLU 103 Cb 0.00 -2.38 0.01 0.00 -0.44 0.00 0.00 34.13 31.33 1xee s GLU 103 CO 0.00 0.34 0.90 -1.13 0.95 0.00 0.00 175.26 176.32 1xee n SER 104 N 3.10 2.55 -4.75 0.83 3.41 -1.26 -3.24 113.62 114.25 1xee n SER 104 Ca -0.18 -2.03 -0.39 0.00 -0.26 0.00 0.00 58.87 56.02 1xee n SER 104 Cb 0.52 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xee s LYS 105 N -0.29 4.30 -1.12 4.33 1.02 -1.26 -5.01 119.74 121.71 1xee s LYS 105 Ca 0.01 0.63 -0.11 0.00 0.02 0.00 0.00 55.97 56.52 1xee s LYS 105 Cb 0.01 -3.37 0.24 0.00 -0.52 0.00 0.00 37.83 34.19 1xee s LYS 105 CO 0.00 0.30 1.19 0.45 -0.92 0.00 0.00 175.35 176.37 1xee s SER 106 N 0.10 7.21 0.06 2.83 0.15 -1.26 -4.02 113.70 118.77 1xee s SER 106 Ca 0.29 -3.34 0.22 0.00 0.70 0.00 0.00 55.95 53.83 1xee s SER 106 Cb -0.17 -2.27 0.92 0.00 -1.71 0.00 0.00 66.02 62.78 1xee s SER 106 CO 0.15 -0.45 1.70 -1.54 1.20 0.00 0.00 173.24 174.30 1xee n SER 107 N 3.72 0.19 -3.91 5.45 3.41 -1.24 -4.73 113.62 116.51 1xee n SER 107 Ca 0.27 0.53 -0.30 0.00 -0.26 0.00 0.00 58.87 59.11 1xee n SER 107 Cb 0.41 -0.58 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.06 2.76 -0.05 7.33 6.14 -1.25 -5.06 117.35 124.17 1xee s TYR 108 Ca 0.10 -2.27 0.04 0.00 0.64 0.00 0.00 57.07 55.58 1xee s TYR 108 Cb 0.13 -2.17 -0.00 0.00 0.42 0.00 0.00 41.96 40.34 1xee s TYR 108 CO 0.42 -0.88 -0.18 0.54 0.64 0.00 0.00 175.55 176.09 1xee s VAL 109 N 1.26 1.52 0.21 3.14 0.11 -1.26 -0.37 120.40 125.01 1xee s VAL 109 Ca 0.06 -0.75 0.06 0.00 -2.93 0.00 0.00 61.98 58.41 1xee s VAL 109 Cb -0.18 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 1xee s VAL 109 CO -0.13 0.44 0.16 -0.63 -3.33 0.00 0.00 175.10 171.61 1xee s ILE 110 N 0.13 4.41 -0.17 7.04 1.01 0.17 -4.94 121.20 128.85 1xee s ILE 110 Ca -0.07 -1.27 -0.01 0.00 0.00 0.00 0.00 60.65 59.30 1xee s ILE 110 Cb -0.13 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.07 1xee s ILE 110 CO 0.03 -0.23 -0.02 0.20 0.00 0.00 0.00 174.94 174.92 1xee s ASN 111 N -3.47 2.84 0.42 3.58 0.01 -1.26 -0.95 114.94 116.11 1xee s ASN 111 Ca 0.32 -0.71 0.08 0.00 -0.71 0.00 0.00 52.86 51.84 1xee s ASN 111 Cb -0.09 -0.81 0.01 0.00 0.41 0.00 0.00 41.25 40.78 1xee s ASN 111 CO 0.24 -0.22 0.57 -0.83 -1.51 0.00 0.00 177.10 175.34 1xee s GLY 112 N 1.70 1.94 0.00 0.66 0.00 -0.08 -5.00 107.32 106.54 1xee s GLY 112 Ca -0.00 -1.66 0.26 0.00 0.00 0.00 0.00 44.72 43.33 1xee s GLY 112 CO -0.07 -1.48 1.92 -1.05 0.00 0.00 0.00 173.10 172.42 1xee n PRO 113 N -1.85 0.69 -0.11 2.90 -0.02 -1.04 -4.60 135.00 130.97 1xee n PRO 113 Ca 0.08 0.01 -0.04 0.00 -2.02 0.00 0.00 63.50 61.53 1xee n PRO 113 Cb 0.59 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.56 1xee n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xee n GLY 114 N 0.73 0.01 0.13 -1.23 0.00 0.20 -4.91 105.19 100.13 1xee n GLY 114 Ca 0.18 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1xee n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xee n LYS 115 N 0.25 0.73 -4.29 1.61 5.02 -1.26 -4.80 118.16 115.42 1xee n LYS 115 Ca 0.02 0.31 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 1xee n LYS 115 Cb -0.00 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.19 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1xee s THR 116 N -2.53 1.30 -0.33 -0.18 -1.32 -1.26 -5.04 115.64 106.29 1xee s THR 116 Ca -0.24 -2.10 0.20 0.00 -1.21 0.00 0.00 61.69 58.35 1xee s THR 116 Cb 0.07 -1.99 -0.28 0.00 -1.51 0.00 0.00 72.50 68.78 1xee s THR 116 CO 0.74 -0.63 0.58 -3.20 -2.21 0.00 0.00 174.62 169.90 1xee n ASN 117 N -0.29 0.52 -2.27 8.08 2.85 -1.26 -3.50 115.26 119.39 1xee n ASN 117 Ca -0.09 -0.32 -0.03 0.00 -0.11 0.00 0.00 54.58 54.04 1xee n ASN 117 Cb 0.61 1.63 0.01 0.00 1.24 0.00 0.00 39.78 43.28 1xee n ASN 117 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1xee n GLU 118 N -1.97 0.46 -1.64 1.20 0.28 -1.26 -3.84 120.64 113.87 1xee n GLU 118 Ca -0.01 -0.29 -0.42 0.00 -0.16 0.00 0.00 57.16 56.28 1xee n GLU 118 Cb 0.46 -0.08 0.01 0.00 1.43 0.00 0.00 31.44 33.25 1xee n GLU 118 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1xee n TYR 119 N -1.62 1.59 -4.16 -1.84 4.01 -1.22 -0.53 117.16 113.39 1xee n TYR 119 Ca 0.02 0.56 -0.16 0.00 -0.16 0.00 0.00 57.90 58.16 1xee n TYR 119 Cb 0.06 -2.29 -0.12 0.00 -0.31 0.00 0.00 39.34 36.68 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xee s ALA 120 N -1.21 0.85 -0.79 -0.72 0.00 -1.26 -4.71 121.76 113.92 1xee s ALA 120 Ca 0.61 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1xee s ALA 120 Cb -0.56 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1xee s ALA 120 CO 0.58 0.09 0.20 0.98 0.00 0.00 0.00 175.76 177.61