#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee n SER 32 N 0.00 -1.66 0.00 6.41 2.88 -1.26 -5.15 113.62 114.84 1xee n SER 32 Ca 0.00 -2.45 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 1xee n SER 32 Cb 0.00 1.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xee n GLY 33 N 0.02 -0.04 3.60 0.46 0.00 -1.26 -4.94 105.19 103.03 1xee n GLY 33 Ca -0.07 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1xee n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xee s LEU 34 N 0.00 3.46 -0.70 0.99 1.43 -1.26 -4.99 118.68 117.60 1xee s LEU 34 Ca 0.00 0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 52.86 1xee s LEU 34 Cb 0.00 -1.82 -0.10 0.00 0.03 0.00 0.00 46.19 44.31 1xee s LEU 34 CO 0.00 0.27 2.30 -2.84 0.23 0.00 0.00 176.35 176.31 1xee s PRO 35 N -0.21 1.96 -1.15 1.29 0.02 -1.26 -4.86 135.00 130.79 1xee s PRO 35 Ca 0.05 0.66 -0.11 0.00 0.02 0.00 0.00 61.00 61.62 1xee s PRO 35 Cb -0.13 -4.73 0.24 0.00 0.02 0.00 0.00 34.50 29.90 1xee s PRO 35 CO 0.02 -3.82 1.24 2.41 -0.33 0.00 0.00 177.00 176.52 1xee n THR 36 N 8.30 4.46 -4.21 0.99 -1.04 -1.26 -4.98 114.28 116.54 1xee n THR 36 Ca 0.41 -5.14 -0.33 0.00 -2.04 0.00 0.00 64.05 56.94 1xee n THR 36 Cb 0.48 -2.54 -0.08 0.00 -1.82 0.00 0.00 70.33 66.36 1xee n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1xee s THR 37 N -0.24 4.42 0.42 12.58 -4.23 -1.26 -0.25 115.64 127.08 1xee s THR 37 Ca 0.35 -0.48 0.08 0.00 -1.18 0.00 0.00 61.69 60.47 1xee s THR 37 Cb -0.07 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.06 1xee s THR 37 CO -0.05 0.39 2.06 0.25 -0.54 0.00 0.00 174.62 176.74 1xee h LEU 38 N 4.33 0.43 -0.57 4.79 5.85 -0.76 -2.04 115.31 127.35 1xee h LEU 38 Ca -0.49 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1xee h LEU 38 Cb 1.18 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1xee h LEU 38 CO 0.59 0.31 0.30 1.23 -0.34 0.00 0.00 178.44 180.52 1xee h GLY 39 N 0.50 0.86 1.29 3.75 0.00 -0.71 0.21 103.07 108.97 1xee h GLY 39 Ca 0.15 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.86 1xee h GLY 39 CO -0.03 0.39 -0.73 0.50 0.00 0.00 0.00 176.54 176.67 1xee h LYS 40 N 0.77 0.71 0.04 4.80 1.79 -1.61 -2.02 116.57 121.04 1xee h LYS 40 Ca 0.20 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1xee h LYS 40 Cb 0.08 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1xee h LYS 40 CO -0.03 1.17 -0.04 1.25 -1.08 0.00 0.00 179.45 180.72 1xee h LEU 41 N 0.49 -0.09 -0.32 2.94 7.12 -1.31 -1.08 115.31 123.06 1xee h LEU 41 Ca -0.04 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.04 1xee h LEU 41 Cb 1.34 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 41.42 1xee h LEU 41 CO 0.15 -0.06 -0.46 -0.78 -0.13 0.00 0.00 178.44 177.16 1xee h ASP 42 N -0.08 -1.50 -0.32 1.25 3.58 -0.55 0.16 116.42 118.96 1xee h ASP 42 Ca 0.00 0.21 0.07 0.00 0.42 0.00 0.00 57.03 57.73 1xee h ASP 42 Cb 0.08 0.63 -0.08 0.00 1.72 0.00 0.00 39.33 41.68 1xee h ASP 42 CO -0.01 -0.40 -0.22 -0.08 -2.88 0.00 0.00 179.24 175.66 1xee h GLU 43 N -0.40 -0.18 -0.81 0.28 4.57 -1.32 0.01 114.58 116.74 1xee h GLU 43 Ca 0.10 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1xee h GLU 43 Cb 0.61 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 1xee h GLU 43 CO -0.53 -0.12 0.53 0.00 -1.18 0.00 0.00 179.01 177.71 1xee h ARG 44 N -0.18 1.02 -0.08 1.92 2.47 -0.63 -0.28 114.38 118.62 1xee h ARG 44 Ca 0.17 -0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.68 1xee h ARG 44 Cb 0.44 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1xee h ARG 44 CO -0.43 0.68 -0.52 -0.07 0.56 0.00 0.00 179.97 180.19 1xee h LEU 45 N 1.05 0.60 -0.32 3.04 -0.00 -0.07 0.13 115.31 119.74 1xee h LEU 45 Ca 0.31 -0.66 -0.18 0.00 -0.00 0.00 0.00 57.88 57.34 1xee h LEU 45 Cb -0.06 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.42 1xee h LEU 45 CO -0.09 1.17 -0.54 0.03 -0.00 0.00 0.00 178.44 179.01 1xee h ARG 46 N 0.07 0.87 -0.20 1.13 3.08 -0.76 0.81 114.38 119.37 1xee h ARG 46 Ca -0.04 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.45 1xee h ARG 46 Cb 1.18 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1xee h ARG 46 CO 0.11 1.18 0.08 -0.91 -1.07 0.00 0.00 179.97 179.36 1xee h ASN 47 N 0.67 0.28 -0.95 7.04 -0.26 -1.04 -2.92 115.58 118.40 1xee h ASN 47 Ca 0.02 -0.17 0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1xee h ASN 47 Cb 1.14 -0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 38.26 1xee h ASN 47 CO 0.12 0.38 0.61 0.22 -1.06 0.00 0.00 177.43 177.70 1xee h TYR 48 N 0.17 1.10 -0.89 1.19 3.20 -0.46 -1.83 116.97 119.45 1xee h TYR 48 Ca 0.07 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.05 1xee h TYR 48 Cb 0.18 -0.36 -0.07 0.00 1.54 0.00 0.00 36.73 38.02 1xee h TYR 48 CO -0.01 0.55 0.54 -0.07 -1.64 0.00 0.00 178.16 177.53 1xee h LEU 49 N 1.06 0.82 -1.71 2.82 3.38 -0.79 -2.89 115.31 117.99 1xee h LEU 49 Ca 0.42 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1xee h LEU 49 Cb 0.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xee h LEU 49 CO -0.17 0.48 -0.16 0.11 0.09 0.00 0.00 178.44 178.79 1xee h LYS 50 N 0.93 0.00 -0.34 1.13 1.79 -1.14 0.31 116.57 119.25 1xee h LYS 50 Ca 0.42 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.98 1xee h LYS 50 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1xee h LYS 50 CO -0.22 0.16 0.40 0.87 -1.08 0.00 0.00 179.45 179.58 1xee h LYS 51 N 0.00 0.00 0.00 3.15 1.79 -1.46 -3.37 116.57 116.68 1xee h LYS 51 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xee h LYS 51 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1xee h LYS 51 CO 0.02 0.00 -0.94 0.41 -1.08 0.00 0.00 179.45 177.86 1xee n GLY 52 N -1.45 -0.00 3.33 3.86 0.00 -0.49 -5.00 105.19 105.44 1xee n GLY 52 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1xee n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xee s THR 53 N -2.00 4.06 0.00 2.61 -4.23 0.97 -5.01 115.64 112.03 1xee s THR 53 Ca 0.00 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1xee s THR 53 Cb 0.00 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1xee s THR 53 CO 0.00 -0.05 0.11 1.17 -0.54 0.00 0.00 174.62 175.31 1xee n LYS 54 N 4.88 0.00 -0.32 3.99 4.81 -1.26 -3.50 118.16 126.75 1xee n LYS 54 Ca -0.13 0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.37 1xee n LYS 54 Cb 0.47 -0.61 -0.01 0.00 0.02 0.00 0.00 35.03 34.90 1xee n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xee n ASN 55 N -0.21 -0.00 -0.02 3.14 4.13 -1.26 -4.81 115.26 116.23 1xee n ASN 55 Ca 0.00 -1.28 0.24 0.00 1.68 0.00 0.00 54.58 55.21 1xee n ASN 55 Cb 0.00 -0.25 0.72 0.00 -1.54 0.00 0.00 39.78 38.71 1xee n ASN 55 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1xee h SER 56 N 6.78 0.00 0.00 6.41 4.64 -1.89 -0.00 113.55 129.50 1xee h SER 56 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xee h SER 56 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1xee h SER 56 CO 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 1xee n ALA 57 N -2.47 2.45 -0.23 5.18 0.00 -1.26 -3.45 120.51 120.73 1xee n ALA 57 Ca 0.12 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.59 1xee n ALA 57 Cb 0.79 -1.10 0.32 0.00 0.00 0.00 0.00 19.45 19.47 1xee n ALA 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1xee h GLN 58 N 0.00 0.81 -6.13 0.00 4.15 -1.40 -3.41 115.11 109.13 1xee h GLN 58 Ca 0.00 -0.05 -0.59 0.00 0.77 0.00 0.00 58.65 58.78 1xee h GLN 58 Cb 0.00 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.46 1xee h GLN 58 CO 0.00 0.53 -0.18 -0.06 -1.93 0.00 0.00 178.83 177.19 1xee s PHE 59 N -5.75 3.65 0.00 3.99 0.08 -1.22 -4.25 117.98 114.48 1xee s PHE 59 Ca -0.10 0.95 0.10 0.00 0.12 0.00 0.00 56.93 57.99 1xee s PHE 59 Cb 0.20 -2.27 -0.23 0.00 -0.57 0.00 0.00 43.02 40.15 1xee s PHE 59 CO 0.78 0.54 0.84 1.05 -0.10 0.00 0.00 175.22 178.33 1xee h GLU 60 N 4.04 0.02 -2.17 0.44 4.11 -1.43 -3.43 114.58 116.16 1xee h GLU 60 Ca -0.50 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 58.83 1xee h GLU 60 Cb 1.20 0.01 -0.20 0.00 0.50 0.00 0.00 28.75 30.26 1xee h GLU 60 CO 0.64 0.69 0.08 -1.59 0.07 0.00 0.00 179.01 178.90 1xee s LYS 61 N -2.63 0.87 0.04 1.06 -2.85 -0.96 -1.76 119.74 113.51 1xee s LYS 61 Ca -0.04 0.55 0.08 0.00 -1.00 0.00 0.00 55.97 55.56 1xee s LYS 61 Cb 0.08 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 1xee s LYS 61 CO 0.82 -0.19 -0.22 0.00 0.10 0.00 0.00 175.35 175.86 1xee s MET 62 N -0.41 1.50 -0.12 1.78 0.23 0.25 -0.08 119.30 122.45 1xee s MET 62 Ca -0.06 -0.96 0.01 0.00 -1.03 0.00 0.00 55.69 53.66 1xee s MET 62 Cb -0.03 -1.61 0.02 0.00 -1.53 0.00 0.00 34.83 31.68 1xee s MET 62 CO 0.05 0.41 -0.14 0.08 -2.03 0.00 0.00 175.02 173.39 1xee s VAL 63 N -0.77 1.46 -0.29 5.16 1.01 0.58 -0.18 120.40 127.37 1xee s VAL 63 Ca 0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1xee s VAL 63 Cb -0.09 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1xee s VAL 63 CO 0.02 0.44 0.07 -0.63 0.00 0.00 0.00 175.10 174.99 1xee s ILE 64 N 1.16 3.96 -0.22 2.22 1.01 0.36 -0.36 121.20 129.34 1xee s ILE 64 Ca -0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1xee s ILE 64 Cb -0.14 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1xee s ILE 64 CO -0.04 0.13 0.01 -0.76 0.00 0.00 0.00 174.94 174.28 1xee s LEU 65 N 1.51 3.22 0.00 2.97 1.02 0.17 -1.52 118.68 126.05 1xee s LEU 65 Ca 0.03 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1xee s LEU 65 Cb -0.17 -1.83 0.02 0.00 0.02 0.00 0.00 46.19 44.23 1xee s LEU 65 CO 0.02 0.01 0.20 0.35 0.02 0.00 0.00 176.35 176.95 1xee n THR 66 N 4.60 0.00 -1.26 5.49 -2.24 -0.46 -0.64 114.28 119.77 1xee n THR 66 Ca -0.17 -1.46 -0.34 0.00 -2.27 0.00 0.00 64.05 59.81 1xee n THR 66 Cb 0.51 -0.06 0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 -3.39 1.85 0.00 -0.78 2.02 -0.09 -4.09 118.70 114.21 1xee s GLU 67 Ca 0.15 1.82 0.00 0.00 0.02 0.00 0.00 54.97 56.96 1xee s GLU 67 Cb -0.01 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.43 1xee s GLU 67 CO 0.09 -2.07 0.00 0.09 0.02 0.00 0.00 175.26 173.39 1xee n ASN 68 N -2.99 0.00 -2.34 -0.19 3.02 -1.22 -2.98 115.26 108.56 1xee n ASN 68 Ca 0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.66 1xee n ASN 68 Cb 0.50 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.70 1xee n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xee n LYS 69 N 0.00 0.44 -3.29 3.52 4.76 -1.26 -3.42 118.16 118.91 1xee n LYS 69 Ca 0.00 -0.72 -0.41 0.00 -2.87 0.00 0.00 58.31 54.31 1xee n LYS 69 Cb 0.00 0.06 -0.08 0.00 -1.84 0.00 0.00 35.03 33.16 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1xee s GLY 70 N -0.40 1.84 -0.31 0.72 0.00 -1.16 -4.98 107.32 103.03 1xee s GLY 70 Ca 0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 1xee s GLY 70 CO -0.04 1.18 0.10 -0.47 0.00 0.00 0.00 173.10 173.88 1xee s TYR 71 N 2.27 1.64 -0.14 1.90 6.14 -1.23 -1.35 117.35 126.58 1xee s TYR 71 Ca 0.18 -1.71 0.02 0.00 0.64 0.00 0.00 57.07 56.19 1xee s TYR 71 Cb -0.16 -1.67 0.01 0.00 0.42 0.00 0.00 41.96 40.56 1xee s TYR 71 CO 0.12 -0.87 -0.20 0.71 0.64 0.00 0.00 175.55 175.94 1xee s TYR 72 N 1.60 2.54 -0.23 4.97 2.02 -0.57 -4.95 117.35 122.73 1xee s TYR 72 Ca 0.10 -1.31 -0.05 0.00 -0.37 0.00 0.00 57.07 55.44 1xee s TYR 72 Cb -0.17 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1xee s TYR 72 CO -0.25 -0.62 0.00 0.99 -1.57 0.00 0.00 175.55 174.11 1xee s THR 73 N 0.93 3.78 -0.12 -0.71 2.01 -1.26 -0.49 115.64 119.79 1xee s THR 73 Ca -0.05 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1xee s THR 73 Cb -0.15 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1xee s THR 73 CO -0.04 0.40 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 1xee s VAL 74 N 1.43 1.22 -0.54 3.82 1.01 0.74 -4.97 120.40 123.11 1xee s VAL 74 Ca 0.05 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1xee s VAL 74 Cb -0.15 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1xee s VAL 74 CO -0.00 0.40 1.23 -0.31 0.00 0.00 0.00 175.10 176.42 1xee s TYR 75 N 1.49 2.58 0.38 5.22 2.02 -1.26 -0.59 117.35 127.19 1xee s TYR 75 Ca 0.02 0.51 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 1xee s TYR 75 Cb -0.13 -4.47 0.00 0.00 -0.40 0.00 0.00 41.96 36.96 1xee s TYR 75 CO -0.07 -1.61 0.77 1.28 -1.57 0.00 0.00 175.55 174.35 1xee n LEU 76 N 8.53 0.00 0.02 -1.29 4.77 -0.72 -0.95 117.00 127.36 1xee n LEU 76 Ca 0.10 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.48 1xee n LEU 76 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1xee n LEU 76 CO 0.72 -0.29 -0.54 -3.20 -1.33 0.00 0.00 177.39 172.74 1xee n ASN 77 N -1.85 0.26 -4.67 -1.43 5.15 -1.26 -4.75 115.26 106.72 1xee n ASN 77 Ca 0.00 0.10 -0.31 0.00 -0.60 0.00 0.00 54.58 53.77 1xee n ASN 77 Cb 0.77 1.49 -0.09 0.00 -0.53 0.00 0.00 39.78 41.42 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 -3.43 3.98 0.42 -0.44 -4.23 -0.12 -5.10 115.64 106.73 1xee s THR 78 Ca -0.06 -0.83 -0.22 0.00 -1.18 0.00 0.00 61.69 59.40 1xee s THR 78 Cb 0.12 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 1xee s THR 78 CO 0.87 0.25 1.01 -2.16 -0.54 0.00 0.00 174.62 174.06 1xee s PRO 79 N -1.90 4.11 -0.24 3.99 0.05 -1.26 -4.72 135.00 135.02 1xee s PRO 79 Ca 0.22 1.36 -0.29 0.00 0.05 0.00 0.00 61.00 62.34 1xee s PRO 79 Cb -0.12 -2.35 -0.02 0.00 0.05 0.00 0.00 34.50 32.06 1xee s PRO 79 CO 0.14 -0.16 1.57 -1.17 0.05 0.00 0.00 177.00 177.42 1xee s LEU 80 N -2.95 3.86 0.48 -3.56 2.96 -1.26 -4.97 118.68 113.23 1xee s LEU 80 Ca 0.61 1.51 -0.24 0.00 -0.22 0.00 0.00 54.13 55.79 1xee s LEU 80 Cb -0.17 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 1xee s LEU 80 CO 0.22 -1.26 1.25 0.00 -1.32 0.00 0.00 176.35 175.23 1xee n ALA 81 N 8.43 1.21 -0.22 5.97 0.00 -1.26 -4.55 120.51 130.09 1xee n ALA 81 Ca 0.18 0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.84 1xee n ALA 81 Cb 0.46 -2.27 0.13 0.00 0.00 0.00 0.00 19.45 17.77 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 1.71 0.20 0.00 0.00 4.39 -1.98 0.62 114.58 119.53 1xee h GLU 82 Ca -0.49 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1xee h GLU 82 Cb 1.31 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1xee h GLU 82 CO 0.58 0.13 0.00 -0.40 -1.16 0.00 0.00 179.01 178.16 1xee n ASP 83 N -5.20 0.64 -0.07 1.42 5.75 -1.26 -1.33 116.55 116.50 1xee n ASP 83 Ca 0.11 0.69 -0.07 0.00 -0.01 0.00 0.00 54.79 55.50 1xee n ASP 83 Cb 0.38 -0.81 -0.10 0.00 -1.03 0.00 0.00 41.12 39.56 1xee n ASP 83 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xee n ARG 84 N -2.24 1.65 0.03 0.11 1.74 -0.50 -4.67 116.66 112.77 1xee n ARG 84 Ca 0.01 0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.24 1xee n ARG 84 Cb 0.18 -1.33 0.54 0.00 -1.02 0.00 0.00 32.46 30.83 1xee n ARG 84 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1xee n LYS 85 N -2.56 0.08 -0.80 5.56 2.85 0.21 -2.54 118.16 120.95 1xee n LYS 85 Ca -0.22 0.06 -0.01 0.00 -1.05 0.00 0.00 58.31 57.08 1xee n LYS 85 Cb 0.91 -1.59 0.27 0.00 -0.65 0.00 0.00 35.03 33.97 1xee n LYS 85 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1xee n ASN 86 N -1.72 4.02 -4.66 -5.58 5.15 -0.95 -0.07 115.26 111.46 1xee n ASN 86 Ca 0.06 -3.29 -0.35 0.00 -0.60 0.00 0.00 54.58 50.41 1xee n ASN 86 Cb 0.37 -0.66 -0.10 0.00 -0.53 0.00 0.00 39.78 38.86 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xee s VAL 87 N -3.01 4.50 0.39 3.44 1.01 -1.05 -4.93 120.40 120.75 1xee s VAL 87 Ca 0.49 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 1xee s VAL 87 Cb 0.40 -2.95 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 1xee s VAL 87 CO 0.09 0.55 0.97 -1.61 0.00 0.00 0.00 175.10 175.10 1xee s GLU 88 N -0.34 4.31 0.46 2.72 2.02 -1.26 -0.40 118.70 126.21 1xee s GLU 88 Ca 0.08 1.28 -0.08 0.00 0.02 0.00 0.00 54.97 56.27 1xee s GLU 88 Cb -0.12 -2.45 0.11 0.00 0.10 0.00 0.00 34.13 31.76 1xee s GLU 88 CO 0.02 0.03 0.56 1.28 0.02 0.00 0.00 175.26 177.17 1xee n LEU 89 N -0.14 0.00 -0.38 1.80 4.77 0.65 -4.79 117.00 118.90 1xee n LEU 89 Ca 0.05 -0.61 0.08 0.00 -0.03 0.00 0.00 56.01 55.49 1xee n LEU 89 Cb 0.52 -0.45 0.16 0.00 -2.33 0.00 0.00 43.42 41.32 1xee n LEU 89 CO 0.41 -1.07 0.44 0.18 -1.33 0.00 0.00 177.39 176.03 1xee n LEU 90 N 0.00 2.35 0.00 2.23 4.77 -1.26 -4.96 117.00 120.13 1xee n LEU 90 Ca 0.07 -3.32 0.00 0.00 -0.03 0.00 0.00 56.01 52.73 1xee n LEU 90 Cb 0.26 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1xee n LEU 90 CO 0.18 0.99 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1xee n GLY 91 N -1.15 1.36 3.77 -0.72 0.00 -1.26 -4.34 105.19 102.85 1xee n GLY 91 Ca 0.16 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.19 4.57 -0.19 1.61 1.02 -1.26 -4.40 119.74 119.91 1xee s LYS 92 Ca 0.00 1.53 -0.35 0.00 0.02 0.00 0.00 55.97 57.17 1xee s LYS 92 Cb 0.00 -2.95 -0.12 0.00 -0.52 0.00 0.00 37.83 34.24 1xee s LYS 92 CO 0.00 0.23 1.97 -0.12 -0.92 0.00 0.00 175.35 176.50 1xee n MET 93 N 0.80 1.77 -0.09 1.68 0.00 -1.26 -0.92 117.12 119.10 1xee n MET 93 Ca 0.01 0.61 -0.11 0.00 -0.00 0.00 0.00 57.70 58.21 1xee n MET 93 Cb 0.48 -2.58 -0.04 0.00 0.00 0.00 0.00 33.22 31.07 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 7.67 0.64 -3.73 1.12 9.36 0.19 -1.39 117.16 131.02 1xee n TYR 94 Ca 0.28 0.28 -0.12 0.00 3.32 0.00 0.00 57.90 61.66 1xee n TYR 94 Cb 0.27 -0.78 -0.13 0.00 -0.63 0.00 0.00 39.34 38.07 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 -2.45 0.23 -0.21 2.98 1.02 -0.66 -0.86 119.74 119.79 1xee s LYS 95 Ca -0.23 0.52 -0.02 0.00 0.02 0.00 0.00 55.97 56.26 1xee s LYS 95 Cb 0.04 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1xee s LYS 95 CO 0.35 -0.15 -0.09 0.99 -0.92 0.00 0.00 175.35 175.53 1xee s THR 96 N 1.12 2.91 -0.16 2.17 2.01 0.13 -0.65 115.64 123.17 1xee s THR 96 Ca -0.08 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 1xee s THR 96 Cb -0.09 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1xee s THR 96 CO -0.08 0.43 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.97 1xee s TYR 97 N 1.40 3.11 -0.20 4.92 2.02 0.52 -0.31 117.35 128.82 1xee s TYR 97 Ca 0.05 -0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 56.56 1xee s TYR 97 Cb -0.14 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 1xee s TYR 97 CO -0.06 0.06 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.88 1xee s PHE 98 N 0.29 2.98 -0.21 2.71 0.40 0.32 -0.31 117.98 124.17 1xee s PHE 98 Ca -0.01 -0.68 -0.08 0.00 -0.60 0.00 0.00 56.93 55.56 1xee s PHE 98 Cb -0.13 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 1xee s PHE 98 CO 0.02 -0.36 0.09 -0.06 0.70 0.00 0.00 175.22 175.60 1xee s PHE 99 N 1.12 3.25 1.04 0.36 0.08 0.89 -1.68 117.98 123.04 1xee s PHE 99 Ca 0.02 0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.97 1xee s PHE 99 Cb -0.15 -2.15 0.21 0.00 -0.57 0.00 0.00 43.02 40.37 1xee s PHE 99 CO 0.00 0.07 1.13 0.15 -0.10 0.00 0.00 175.22 176.47 1xee s LYS 100 N 0.70 0.07 -0.15 0.44 1.02 -1.26 -1.33 119.74 119.24 1xee s LYS 100 Ca 0.05 0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.92 1xee s LYS 100 Cb -0.13 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1xee s LYS 100 CO 0.02 -2.90 1.69 0.21 -0.92 0.00 0.00 175.35 173.45 1xee s LYS 101 N -5.27 3.90 0.00 1.68 2.20 -1.26 -1.67 119.74 119.32 1xee s LYS 101 Ca 0.68 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1xee s LYS 101 Cb -0.13 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 1xee s LYS 101 CO 0.56 -1.18 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 1xee n GLY 102 N 4.54 0.82 3.32 5.54 0.00 -1.26 -5.01 105.19 113.14 1xee n GLY 102 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1xee n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xee s GLU 103 N -0.66 1.23 -0.02 1.61 2.02 -0.67 -5.04 118.70 117.17 1xee s GLU 103 Ca 0.00 -1.32 0.09 0.00 0.02 0.00 0.00 54.97 53.76 1xee s GLU 103 Cb 0.00 -1.37 0.25 0.00 0.10 0.00 0.00 34.13 33.11 1xee s GLU 103 CO 0.00 0.30 1.20 0.43 0.02 0.00 0.00 175.26 177.21 1xee n SER 104 N 0.59 2.76 -4.56 -0.19 7.64 -1.26 -4.49 113.62 114.11 1xee n SER 104 Ca -0.16 -2.14 -0.36 0.00 1.01 0.00 0.00 58.87 57.23 1xee n SER 104 Cb 0.56 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 63.44 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xee s LYS 105 N -1.24 3.86 -0.50 1.43 1.02 -1.26 -5.06 119.74 117.99 1xee s LYS 105 Ca 0.19 -0.38 -0.28 0.00 0.02 0.00 0.00 55.97 55.53 1xee s LYS 105 Cb 0.12 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 1xee s LYS 105 CO 0.11 -0.03 1.66 -1.12 -0.92 0.00 0.00 175.35 175.05 1xee s SER 106 N 1.24 5.80 0.04 2.83 0.01 -1.26 -4.37 113.70 118.00 1xee s SER 106 Ca 0.06 0.62 0.25 0.00 1.31 0.00 0.00 55.95 58.19 1xee s SER 106 Cb -0.14 -2.53 0.56 0.00 0.21 0.00 0.00 66.02 64.11 1xee s SER 106 CO 0.05 -1.90 1.46 -0.24 0.41 0.00 0.00 173.24 173.02 1xee n SER 107 N 10.73 0.51 -3.68 2.44 2.88 -0.68 -4.88 113.62 120.94 1xee n SER 107 Ca 0.18 -0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.58 1xee n SER 107 Cb 0.49 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.96 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1xee s TYR 108 N -3.06 -0.59 0.02 0.66 5.04 -1.23 -5.04 117.35 113.15 1xee s TYR 108 Ca 0.10 1.41 0.01 0.00 -2.44 0.00 0.00 57.07 56.15 1xee s TYR 108 Cb 0.16 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.67 1xee s TYR 108 CO 0.68 -0.32 -0.04 0.54 -1.34 0.00 0.00 175.55 175.08 1xee s VAL 109 N 0.13 0.24 -0.17 3.14 0.11 -1.26 -0.52 120.40 122.07 1xee s VAL 109 Ca -0.01 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1xee s VAL 109 Cb -0.04 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1xee s VAL 109 CO 0.01 -0.23 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.76 1xee s ILE 110 N -0.82 2.48 -0.34 7.04 1.01 0.58 -4.92 121.20 126.23 1xee s ILE 110 Ca -0.07 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1xee s ILE 110 Cb -0.06 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1xee s ILE 110 CO -0.00 0.52 0.18 0.20 0.00 0.00 0.00 174.94 175.83 1xee s ASN 111 N 1.03 5.64 0.13 3.58 0.01 -1.26 0.17 114.94 124.23 1xee s ASN 111 Ca -0.01 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.36 1xee s ASN 111 Cb -0.15 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1xee s ASN 111 CO -0.04 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 1xee n GLY 112 N 4.99 1.40 0.21 0.66 0.00 -0.04 -5.01 105.19 107.40 1xee n GLY 112 Ca -0.13 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.76 1.27 -1.53 1.61 -0.04 -1.17 -4.79 135.00 129.60 1xee n PRO 113 Ca 0.00 -0.41 -0.53 0.00 -0.04 0.00 0.00 63.50 62.52 1xee n PRO 113 Cb 0.00 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 1xee n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xee n GLY 114 N 0.90 -0.23 0.13 0.55 0.00 -0.48 -4.94 105.19 101.12 1xee n GLY 114 Ca 0.14 0.63 -0.11 0.00 0.00 0.00 0.00 46.02 46.68 1xee n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xee h LYS 115 N 3.15 -0.20 -2.67 1.61 3.64 -1.89 -3.45 116.57 116.76 1xee h LYS 115 Ca -0.45 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1xee h LYS 115 Cb 1.39 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 1xee h LYS 115 CO 0.68 0.25 0.43 -0.08 -2.27 0.00 0.00 179.45 178.46 1xee s THR 116 N -3.56 0.00 -0.26 1.00 -1.32 -1.26 -5.04 115.64 105.21 1xee s THR 116 Ca -0.13 -0.77 0.12 0.00 -1.21 0.00 0.00 61.69 59.70 1xee s THR 116 Cb 0.01 -2.56 0.57 0.00 -1.51 0.00 0.00 72.50 69.01 1xee s THR 116 CO 0.50 0.00 1.54 -3.20 -2.21 0.00 0.00 174.62 171.25 1xee n ASN 117 N -1.00 3.58 0.00 8.08 2.85 -1.26 -3.42 115.26 124.09 1xee n ASN 117 Ca -0.05 -3.35 0.00 0.00 -0.11 0.00 0.00 54.58 51.07 1xee n ASN 117 Cb 0.60 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1xee n ASN 117 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xee n GLU 118 N -0.69 0.00 -3.93 1.20 1.02 -1.22 -4.54 120.64 112.47 1xee n GLU 118 Ca 0.31 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 1xee n GLU 118 Cb 1.08 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 32.34 1xee n GLU 118 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1xee s TYR 119 N 0.00 1.90 -0.44 -0.32 2.02 -1.26 -4.19 117.35 115.05 1xee s TYR 119 Ca 0.00 -1.17 0.00 0.00 -0.37 0.00 0.00 57.07 55.53 1xee s TYR 119 Cb 0.00 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1xee s TYR 119 CO 0.00 -0.64 0.00 0.00 -1.57 0.00 0.00 175.55 173.34 1xee n ALA 120 N 4.83 0.92 1.03 3.71 0.00 -1.26 -4.70 120.51 125.03 1xee n ALA 120 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1xee n ALA 120 Cb 0.48 -0.76 0.13 0.00 0.00 0.00 0.00 19.45 19.30 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48