#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lti n PRO 2 N 0.00 0.69 -0.00 0.00 -0.02 -1.26 -4.91 135.00 129.50 1lti n PRO 2 Ca 0.00 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 1lti n PRO 2 Cb 0.00 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1lti n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lti n GLN 3 N -0.60 3.04 -4.12 -0.52 6.02 -1.26 -4.98 117.38 114.96 1lti n GLN 3 Ca 0.13 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 57.00 1lti n GLN 3 Cb 0.48 -1.05 -0.09 0.00 1.02 0.00 0.00 30.24 30.60 1lti n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1lti s THR 4 N -2.12 0.02 0.21 5.09 -4.23 -1.26 -5.06 115.64 108.29 1lti s THR 4 Ca 0.04 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1lti s THR 4 Cb 0.08 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 1lti s THR 4 CO 0.47 -0.11 1.57 -0.29 -0.54 0.00 0.00 174.62 175.72 1lti h ILE 5 N 2.57 1.30 -0.18 2.99 2.10 -1.95 -0.93 117.51 123.41 1lti h ILE 5 Ca -0.33 -1.60 -0.02 0.00 1.08 0.00 0.00 64.86 63.99 1lti h ILE 5 Cb 1.24 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 38.52 1lti h ILE 5 CO 0.50 0.51 0.02 0.74 -1.08 0.00 0.00 178.15 178.84 1lti h THR 6 N 0.49 1.23 -0.61 2.19 2.02 -1.98 0.28 112.91 116.53 1lti h THR 6 Ca 0.04 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 1lti h THR 6 Cb 0.93 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1lti h THR 6 CO 0.08 0.23 0.15 -0.08 0.37 0.00 0.00 175.52 176.27 1lti h GLU 7 N 0.08 0.94 -0.24 6.66 4.81 -1.96 -2.03 114.58 122.85 1lti h GLU 7 Ca 0.05 -0.20 -0.19 0.00 -0.13 0.00 0.00 59.36 58.89 1lti h GLU 7 Cb 0.33 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1lti h GLU 7 CO 0.00 0.84 -0.61 1.25 -0.73 0.00 0.00 179.01 179.76 1lti h LEU 8 N 0.90 0.93 -1.09 1.64 6.46 -0.87 -3.22 115.31 120.07 1lti h LEU 8 Ca 0.20 -0.53 0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1lti h LEU 8 Cb 0.32 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 1lti h LEU 8 CO -0.00 1.32 0.62 0.00 -0.62 0.00 0.00 178.44 179.76 1lti n SER 10 N -4.43 0.00 -0.30 0.00 7.64 -0.79 -1.74 113.62 114.00 1lti n SER 10 Ca 0.12 0.37 0.14 0.00 1.01 0.00 0.00 58.87 60.50 1lti n SER 10 Cb 0.07 -0.40 0.48 0.00 -1.01 0.00 0.00 64.21 63.35 1lti n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lti n GLU 11 N -1.40 1.12 -4.43 1.43 1.02 -0.89 -4.87 120.64 112.61 1lti n GLU 11 Ca 0.02 -0.61 -0.30 0.00 -0.02 0.00 0.00 57.16 56.24 1lti n GLU 11 Cb 0.05 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1lti n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1lti s TYR 12 N -2.30 2.68 0.30 -0.32 2.02 -0.71 -5.13 117.35 113.89 1lti s TYR 12 Ca 0.31 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.69 1lti s TYR 12 Cb 0.20 -1.46 -0.08 0.00 -0.40 0.00 0.00 41.96 40.21 1lti s TYR 12 CO 0.44 0.35 0.68 1.03 -1.57 0.00 0.00 175.55 176.49 1lti s ARG 13 N -1.79 3.93 -0.95 -0.62 0.52 -1.26 -4.14 118.95 114.63 1lti s ARG 13 Ca 0.18 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 1lti s ARG 13 Cb -0.11 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1lti s ARG 13 CO 0.09 0.19 0.00 0.09 0.02 0.00 0.00 175.30 175.70 1lti n ASN 14 N -0.35 -3.83 -4.61 0.23 3.02 -1.26 -4.96 115.26 103.50 1lti n ASN 14 Ca 0.03 0.14 -0.23 0.00 -0.03 0.00 0.00 54.58 54.49 1lti n ASN 14 Cb 0.53 -2.54 -0.08 0.00 -0.61 0.00 0.00 39.78 37.08 1lti n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1lti s THR 15 N -2.41 3.23 0.05 3.41 -4.23 -1.26 -0.09 115.64 114.34 1lti s THR 15 Ca 0.00 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.31 1lti s THR 15 Cb 0.00 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1lti s THR 15 CO 0.00 -0.37 0.42 0.00 -0.54 0.00 0.00 174.62 174.12 1lti s GLN 16 N -3.64 0.93 -0.16 3.99 -2.07 -0.08 -4.87 119.66 113.76 1lti s GLN 16 Ca 0.31 -0.37 -0.07 0.00 -1.82 0.00 0.00 55.36 53.41 1lti s GLN 16 Cb -0.06 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 1lti s GLN 16 CO 0.19 -0.32 0.10 0.42 -1.32 0.00 0.00 175.29 174.35 1lti s ILE 17 N -2.54 5.12 -0.13 3.63 -1.09 -1.26 -1.01 121.20 123.92 1lti s ILE 17 Ca -0.05 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1lti s ILE 17 Cb -0.01 -3.28 -0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1lti s ILE 17 CO -0.03 0.52 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.74 1lti s TYR 18 N -0.18 2.77 -0.46 3.97 1.51 0.38 -4.96 117.35 120.37 1lti s TYR 18 Ca 0.09 -0.80 -0.19 0.00 -1.01 0.00 0.00 57.07 55.17 1lti s TYR 18 Cb -0.12 -1.84 0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1lti s TYR 18 CO 0.01 -0.31 0.56 0.99 -1.11 0.00 0.00 175.55 175.69 1lti s THR 19 N 0.47 4.95 -0.13 -0.71 2.01 -1.26 -0.86 115.64 120.11 1lti s THR 19 Ca -0.11 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 1lti s THR 19 Cb -0.16 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1lti s THR 19 CO 0.05 -0.63 -0.06 0.40 -0.69 0.00 0.00 174.62 173.68 1lti h ILE 20 N 5.82 0.13 -6.21 1.82 1.08 0.03 -3.49 117.51 116.69 1lti h ILE 20 Ca -0.27 -1.14 -0.44 0.00 -0.39 0.00 0.00 64.86 62.62 1lti h ILE 20 Cb 1.10 0.29 0.03 0.00 -3.07 0.00 0.00 36.82 35.16 1lti h ILE 20 CO 0.89 0.04 -0.86 -3.20 -0.69 0.00 0.00 178.15 174.34 1lti n ASN 21 N -4.65 -1.24 -3.50 1.72 4.05 0.22 -4.96 115.26 106.89 1lti n ASN 21 Ca -0.07 -0.89 -0.09 0.00 0.45 0.00 0.00 54.58 53.98 1lti n ASN 21 Cb 0.23 -3.72 -0.02 0.00 1.23 0.00 0.00 39.78 37.49 1lti n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1lti s ASP 22 N -4.30 -0.38 0.68 1.20 2.15 -0.54 -4.87 116.67 110.60 1lti s ASP 22 Ca 0.04 0.05 -0.11 0.00 0.43 0.00 0.00 52.55 52.96 1lti s ASP 22 Cb -0.01 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 1lti s ASP 22 CO 0.84 -0.62 1.06 -1.59 -0.17 0.00 0.00 175.17 174.69 1lti s LYS 23 N -2.96 3.01 0.36 4.34 0.00 -1.26 -0.62 119.74 122.60 1lti s LYS 23 Ca 0.04 0.47 -0.26 0.00 0.00 0.00 0.00 55.97 56.21 1lti s LYS 23 Cb -0.01 -2.06 -0.09 0.00 0.00 0.00 0.00 37.83 35.67 1lti s LYS 23 CO -0.08 -0.91 1.13 0.42 0.00 0.00 0.00 175.35 175.91 1lti s ILE 24 N -3.28 3.35 -0.14 3.79 1.01 -1.26 -4.76 121.20 119.90 1lti s ILE 24 Ca 0.57 1.19 -0.12 0.00 0.00 0.00 0.00 60.65 62.29 1lti s ILE 24 Cb -0.11 -3.69 -0.24 0.00 0.01 0.00 0.00 42.46 38.43 1lti s ILE 24 CO 0.51 0.16 0.34 0.25 0.00 0.00 0.00 174.94 176.20 1lti h LEU 25 N 3.01 0.29 -8.00 2.97 5.85 -1.09 -3.49 115.31 114.85 1lti h LEU 25 Ca -0.48 -0.81 -0.10 0.00 0.84 0.00 0.00 57.88 57.33 1lti h LEU 25 Cb 1.22 -0.10 -0.15 0.00 0.37 0.00 0.00 40.66 42.01 1lti h LEU 25 CO 0.64 1.74 -0.51 -0.94 -0.34 0.00 0.00 178.44 179.02 1lti s SER 26 N -7.00 0.28 -0.01 1.25 1.04 -1.21 -5.00 113.70 103.05 1lti s SER 26 Ca -0.24 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.42 1lti s SER 26 Cb 0.06 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 1lti s SER 26 CO 0.72 -0.66 -0.07 -0.47 0.98 0.00 0.00 173.24 173.74 1lti s TYR 27 N -3.79 0.65 -0.04 5.02 5.04 -1.26 -3.00 117.35 119.97 1lti s TYR 27 Ca 0.05 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 1lti s TYR 27 Cb 0.06 -0.43 0.03 0.00 0.35 0.00 0.00 41.96 41.96 1lti s TYR 27 CO -0.10 -0.03 -0.01 0.99 -1.34 0.00 0.00 175.55 175.06 1lti s THR 28 N -0.06 0.29 -0.02 4.34 2.01 -0.12 -4.98 115.64 117.09 1lti s THR 28 Ca 0.01 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.10 1lti s THR 28 Cb -0.04 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1lti s THR 28 CO -0.00 0.18 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.24 1lti s GLU 29 N 1.09 1.51 -0.02 4.92 2.12 -1.26 -0.59 118.70 126.46 1lti s GLU 29 Ca -0.09 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.67 1lti s GLU 29 Cb -0.14 -1.40 0.00 0.00 0.26 0.00 0.00 34.13 32.86 1lti s GLU 29 CO -0.01 0.31 -0.08 0.45 -0.54 0.00 0.00 175.26 175.38 1lti s SER 30 N -0.22 1.11 -0.02 -1.70 0.15 -0.23 -5.00 113.70 107.79 1lti s SER 30 Ca 0.03 -0.17 0.09 0.00 0.70 0.00 0.00 55.95 56.60 1lti s SER 30 Cb -0.08 -0.27 0.26 0.00 -1.71 0.00 0.00 66.02 64.22 1lti s SER 30 CO 0.00 0.07 1.21 1.15 1.20 0.00 0.00 173.24 176.87 1lti n MET 31 N 3.22 2.86 -1.90 5.44 0.00 -1.26 -2.25 117.12 123.23 1lti n MET 31 Ca -0.17 -2.02 -0.42 0.00 0.00 0.00 0.00 57.70 55.09 1lti n MET 31 Cb 0.55 -1.27 -0.03 0.00 0.00 0.00 0.00 33.22 32.47 1lti n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lti s ALA 32 N -1.25 3.76 -0.13 3.17 0.00 -1.26 -4.80 121.76 121.26 1lti s ALA 32 Ca 0.20 1.42 -0.39 0.00 0.00 0.00 0.00 51.96 53.19 1lti s ALA 32 Cb 0.12 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 1lti s ALA 32 CO 0.11 -0.82 1.55 0.41 0.00 0.00 0.00 175.76 177.00 1lti n GLY 33 N 3.18 0.63 3.09 0.00 0.00 -1.26 -0.10 105.19 110.73 1lti n GLY 33 Ca 0.12 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1lti n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lti n LYS 34 N 4.00 0.00 -2.35 1.61 5.02 -1.26 -4.82 118.16 120.36 1lti n LYS 34 Ca 0.23 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.41 1lti n LYS 34 Cb 0.15 -2.32 0.04 0.00 -0.02 0.00 0.00 35.03 32.88 1lti n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lti n ARG 35 N -2.00 2.56 -2.48 1.97 5.12 0.86 -4.97 116.66 117.73 1lti n ARG 35 Ca 0.00 -3.77 -0.39 0.00 -1.93 0.00 0.00 57.85 51.76 1lti n ARG 35 Cb 0.00 -1.88 -0.03 0.00 -1.16 0.00 0.00 32.46 29.39 1lti n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lti s GLU 36 N -3.59 3.33 0.33 5.56 8.01 -1.13 -4.22 118.70 126.99 1lti s GLU 36 Ca 0.39 -0.72 -0.12 0.00 0.01 0.00 0.00 54.97 54.52 1lti s GLU 36 Cb 0.37 -4.98 0.02 0.00 -4.31 0.00 0.00 34.13 25.23 1lti s GLU 36 CO -0.01 -2.35 0.63 0.00 0.01 0.00 0.00 175.26 173.55 1lti s MET 37 N 5.49 1.94 -0.00 1.61 0.23 -0.95 -4.34 119.30 123.28 1lti s MET 37 Ca 0.47 -1.41 0.05 0.00 -1.03 0.00 0.00 55.69 53.76 1lti s MET 37 Cb -0.03 0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 33.80 1lti s MET 37 CO -0.01 -0.86 -0.16 0.08 -2.03 0.00 0.00 175.02 172.04 1lti s VAL 38 N -3.10 1.24 -0.05 5.16 1.01 -1.25 -1.07 120.40 122.35 1lti s VAL 38 Ca 0.20 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1lti s VAL 38 Cb -0.03 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1lti s VAL 38 CO 0.13 0.29 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 1lti s ILE 39 N -0.46 1.02 0.16 2.22 1.01 0.24 -1.76 121.20 123.62 1lti s ILE 39 Ca 0.06 -0.43 0.10 0.00 0.00 0.00 0.00 60.65 60.37 1lti s ILE 39 Cb -0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1lti s ILE 39 CO -0.00 0.32 -0.22 0.27 0.00 0.00 0.00 174.94 175.31 1lti s ILE 40 N 0.53 2.03 0.05 2.92 -4.36 -0.37 -0.95 121.20 121.06 1lti s ILE 40 Ca -0.11 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.41 1lti s ILE 40 Cb -0.14 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1lti s ILE 40 CO 0.02 -0.16 -0.03 0.42 0.24 0.00 0.00 174.94 175.44 1lti s THR 41 N -1.64 0.26 0.26 8.37 -4.23 -1.16 -1.06 115.64 116.43 1lti s THR 41 Ca 0.16 -1.74 0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1lti s THR 41 Cb -0.08 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 1lti s THR 41 CO 0.07 -0.94 -0.16 -0.36 -0.54 0.00 0.00 174.62 172.69 1lti s PHE 42 N -3.66 2.07 0.53 3.99 0.08 -0.17 -0.43 117.98 120.39 1lti s PHE 42 Ca 0.05 -0.46 0.40 0.00 0.12 0.00 0.00 56.93 57.04 1lti s PHE 42 Cb 0.06 -0.96 2.09 0.00 -0.57 0.00 0.00 43.02 43.64 1lti s PHE 42 CO -0.09 0.55 2.26 1.57 -0.10 0.00 0.00 175.22 179.42 1lti h LYS 43 N 2.35 0.00 0.00 0.44 2.10 -1.89 0.52 116.57 120.09 1lti h LYS 43 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1lti h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1lti h LYS 43 CO 0.62 0.01 0.00 -1.13 -2.00 0.00 0.00 179.45 176.95 1lti n SER 44 N -3.22 0.00 0.00 7.07 3.41 -1.26 -4.89 113.62 114.73 1lti n SER 44 Ca -0.02 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1lti n SER 44 Cb 0.13 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1lti n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lti n GLY 45 N 0.62 0.12 3.75 5.00 0.00 0.17 -5.07 105.19 109.78 1lti n GLY 45 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1lti n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lti s GLU 46 N -0.95 3.26 -0.02 1.61 0.41 -1.25 -4.76 118.70 116.99 1lti s GLU 46 Ca 0.00 2.06 -0.00 0.00 -0.41 0.00 0.00 54.97 56.62 1lti s GLU 46 Cb 0.00 -2.24 0.03 0.00 -1.78 0.00 0.00 34.13 30.14 1lti s GLU 46 CO 0.00 -1.04 0.03 0.99 -0.49 0.00 0.00 175.26 174.75 1lti s THR 47 N -1.40 -0.04 0.07 3.63 2.01 -1.26 -1.00 115.64 117.66 1lti s THR 47 Ca 0.71 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1lti s THR 47 Cb -0.36 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1lti s THR 47 CO 0.42 0.10 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.04 1lti s PHE 48 N 1.12 0.70 0.11 4.92 0.08 -0.23 -3.88 117.98 120.81 1lti s PHE 48 Ca -0.08 -0.89 0.02 0.00 0.12 0.00 0.00 56.93 56.10 1lti s PHE 48 Cb -0.13 -0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 1lti s PHE 48 CO -0.03 -0.22 -0.07 1.14 -0.10 0.00 0.00 175.22 175.94 1lti s GLN 49 N -3.42 0.90 -0.21 0.44 -2.07 -0.83 -1.23 119.66 113.24 1lti s GLN 49 Ca 0.06 -1.37 -0.07 0.00 -1.82 0.00 0.00 55.36 52.15 1lti s GLN 49 Cb 0.03 -0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 31.60 1lti s GLN 49 CO -0.06 0.00 0.06 0.08 -1.32 0.00 0.00 175.29 174.06 1lti s VAL 50 N -3.55 4.56 0.67 3.63 1.01 -0.73 -1.84 120.40 124.16 1lti s VAL 50 Ca 0.13 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1lti s VAL 50 Cb 0.05 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1lti s VAL 50 CO -0.03 0.40 1.11 -1.61 0.00 0.00 0.00 175.10 174.97 1lti s GLU 51 N 0.94 2.74 0.15 2.72 2.02 -1.26 -3.78 118.70 122.23 1lti s GLU 51 Ca 0.04 1.35 -0.31 0.00 0.02 0.00 0.00 54.97 56.07 1lti s GLU 51 Cb -0.14 -1.95 -0.08 0.00 0.10 0.00 0.00 34.13 32.07 1lti s GLU 51 CO 0.03 -1.29 1.33 0.08 0.02 0.00 0.00 175.26 175.43 1lti s VAL 52 N -2.43 3.35 0.12 2.63 1.01 -1.26 -4.91 120.40 118.92 1lti s VAL 52 Ca 0.66 1.03 -0.34 0.00 0.00 0.00 0.00 61.98 63.33 1lti s VAL 52 Cb -0.20 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 1lti s VAL 52 CO 0.43 0.11 1.64 -2.65 0.00 0.00 0.00 175.10 174.64 1lti n PRO 53 N 3.34 2.20 -1.63 2.72 -0.02 -1.26 -4.94 135.00 135.41 1lti n PRO 53 Ca 0.09 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1lti n PRO 53 Cb 0.43 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1lti n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lti n GLY 54 N 3.62 3.50 0.14 -1.23 0.00 -1.26 -5.03 105.19 104.94 1lti n GLY 54 Ca 0.18 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.84 1lti n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lti n SER 55 N -2.31 0.57 0.04 1.61 3.41 -1.26 -1.26 113.62 114.42 1lti n SER 55 Ca 0.00 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1lti n SER 55 Cb 0.00 -0.81 0.52 0.00 -0.26 0.00 0.00 64.21 63.66 1lti n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lti n GLN 56 N -2.21 0.10 -3.83 4.33 0.00 -1.26 -4.79 117.38 109.71 1lti n GLN 56 Ca -0.00 0.11 -0.36 0.00 0.00 0.00 0.00 57.00 56.76 1lti n GLN 56 Cb 0.10 -1.62 -0.08 0.00 0.00 0.00 0.00 30.24 28.65 1lti n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lti s HIS 57 N -3.05 3.45 0.66 2.61 3.76 -0.39 -5.09 115.29 117.24 1lti s HIS 57 Ca 0.12 0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 55.28 1lti s HIS 57 Cb 0.16 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 1lti s HIS 57 CO 0.52 0.43 1.05 0.96 -0.85 0.00 0.00 174.74 176.86 1lti s ILE 58 N -0.15 4.26 0.37 0.60 -4.36 -1.26 -4.89 121.20 115.78 1lti s ILE 58 Ca 0.10 0.73 0.09 0.00 -0.26 0.00 0.00 60.65 61.31 1lti s ILE 58 Cb -0.11 -3.65 0.31 0.00 1.25 0.00 0.00 42.46 40.26 1lti s ILE 58 CO 0.00 -0.96 1.93 0.44 0.24 0.00 0.00 174.94 176.59 1lti h ASP 59 N -0.51 0.61 0.58 4.36 3.32 -1.98 -1.47 116.42 121.32 1lti h ASP 59 Ca -0.44 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1lti h ASP 59 Cb 1.21 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1lti h ASP 59 CO 0.61 0.35 0.00 -1.54 -1.72 0.00 0.00 179.24 176.94 1lti n SER 60 N -4.50 0.22 0.09 6.45 3.41 -1.26 -2.41 113.62 115.62 1lti n SER 60 Ca 0.13 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.35 1lti n SER 60 Cb 0.36 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1lti n SER 60 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1lti h GLN 61 N 0.00 0.00 -0.58 4.33 4.20 -1.64 -3.37 115.11 118.05 1lti h GLN 61 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1lti h GLN 61 Cb 0.29 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.98 1lti h GLN 61 CO 0.00 0.22 0.09 0.87 -0.67 0.00 0.00 178.83 179.34 1lti h LYS 62 N 0.00 0.21 0.00 1.46 1.57 -1.54 0.20 116.57 118.48 1lti h LYS 62 Ca -0.07 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1lti h LYS 62 Cb 1.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1lti h LYS 62 CO 0.03 0.14 -0.18 1.57 -0.57 0.00 0.00 179.45 180.44 1lti h LYS 63 N 0.22 0.00 0.03 3.15 2.10 -1.76 -2.95 116.57 117.35 1lti h LYS 63 Ca 0.30 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.73 1lti h LYS 63 Cb 0.46 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.77 1lti h LYS 63 CO -0.42 0.18 -1.03 0.00 -2.00 0.00 0.00 179.45 176.19 1lti h ALA 64 N 1.82 0.34 -0.39 0.07 0.00 -1.12 -1.74 119.26 118.24 1lti h ALA 64 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 1lti h ALA 64 Cb 0.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1lti h ALA 64 CO 0.02 1.12 0.12 0.82 0.00 0.00 0.00 179.25 181.33 1lti h ILE 65 N 0.03 1.22 -0.19 0.00 2.04 -0.60 -0.10 117.51 119.90 1lti h ILE 65 Ca -0.04 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1lti h ILE 65 Cb 1.76 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1lti h ILE 65 CO 0.15 0.25 0.10 -0.33 0.00 0.00 0.00 178.15 178.32 1lti h GLU 66 N 0.49 0.27 -0.86 2.37 4.39 -1.43 -1.76 114.58 118.05 1lti h GLU 66 Ca 0.13 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1lti h GLU 66 Cb 0.27 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 1lti h GLU 66 CO -0.00 0.26 0.57 -0.09 -1.16 0.00 0.00 179.01 178.58 1lti h ARG 67 N 0.20 1.14 -0.87 2.33 2.43 -1.20 -2.47 114.38 115.95 1lti h ARG 67 Ca 0.07 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1lti h ARG 67 Cb 0.07 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1lti h ARG 67 CO -0.01 0.76 0.53 1.98 -1.51 0.00 0.00 179.97 181.72 1lti h MET 68 N 1.17 1.17 -0.25 0.20 4.05 -0.66 0.25 114.93 120.86 1lti h MET 68 Ca 0.31 -0.10 -0.08 0.00 -0.28 0.00 0.00 59.70 59.55 1lti h MET 68 Cb -0.13 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.41 1lti h MET 68 CO -0.07 0.81 -0.21 0.87 0.23 0.00 0.00 176.91 178.55 1lti h LYS 69 N 1.19 0.45 -0.29 0.39 1.57 -0.90 -1.51 116.57 117.47 1lti h LYS 69 Ca 0.31 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1lti h LYS 69 Cb -0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1lti h LYS 69 CO -0.06 0.64 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.01 1lti h ASP 70 N 0.41 0.51 0.06 0.86 3.32 -0.99 -2.42 116.42 118.16 1lti h ASP 70 Ca 0.07 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1lti h ASP 70 Cb 0.59 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1lti h ASP 70 CO 0.04 0.70 -0.03 0.74 -1.72 0.00 0.00 179.24 178.98 1lti h THR 71 N 0.31 0.96 -0.86 0.35 2.02 -0.68 -2.49 112.91 112.53 1lti h THR 71 Ca 0.08 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1lti h THR 71 Cb 0.45 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1lti h THR 71 CO 0.02 0.02 0.56 -0.07 0.37 0.00 0.00 175.52 176.41 1lti h LEU 72 N -0.11 0.92 0.02 2.58 3.38 -1.26 0.73 115.31 121.57 1lti h LEU 72 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lti h LEU 72 Cb 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1lti h LEU 72 CO 0.01 0.64 -0.01 -0.09 0.09 0.00 0.00 178.44 179.08 1lti h ARG 73 N 1.08 -0.02 -0.03 1.13 2.43 -1.27 -0.42 114.38 117.27 1lti h ARG 73 Ca 0.34 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 1lti h ARG 73 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1lti h ARG 73 CO -0.12 0.02 -0.50 0.97 -1.51 0.00 0.00 179.97 178.83 1lti h ILE 74 N -0.06 1.36 -0.59 1.20 2.10 -1.22 -0.84 117.51 119.46 1lti h ILE 74 Ca -0.00 -1.73 -0.06 0.00 1.08 0.00 0.00 64.86 64.15 1lti h ILE 74 Cb 0.05 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.66 1lti h ILE 74 CO 0.00 0.50 0.15 0.74 -1.08 0.00 0.00 178.15 178.47 1lti h THR 75 N 0.07 1.25 -0.03 2.19 2.02 -0.58 -1.18 112.91 116.64 1lti h THR 75 Ca -0.00 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1lti h THR 75 Cb 0.91 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1lti h THR 75 CO 0.07 0.33 0.01 0.22 0.37 0.00 0.00 175.52 176.52 1lti h TYR 76 N 0.86 0.05 -0.40 3.16 3.20 -0.69 -1.89 116.97 121.26 1lti h TYR 76 Ca 0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1lti h TYR 76 Cb 0.34 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1lti h TYR 76 CO 0.02 0.24 0.17 -0.07 -1.64 0.00 0.00 178.16 176.89 1lti h LEU 77 N -0.15 0.50 -0.48 2.82 3.38 -0.99 -2.34 115.31 118.05 1lti h LEU 77 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lti h LEU 77 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1lti h LEU 77 CO -0.00 0.45 -0.17 0.35 0.09 0.00 0.00 178.44 179.15 1lti n THR 78 N -4.39 0.00 -3.66 0.22 -2.24 -0.46 -4.93 114.28 98.82 1lti n THR 78 Ca 0.03 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 1lti n THR 78 Cb 0.13 0.26 0.06 0.00 -2.10 0.00 0.00 70.33 68.68 1lti n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lti n GLU 79 N -0.63 -6.89 -2.96 -0.78 1.02 -0.77 -4.96 120.64 104.67 1lti n GLU 79 Ca 0.14 0.76 -0.40 0.00 -0.02 0.00 0.00 57.16 57.64 1lti n GLU 79 Cb 0.32 -5.73 -0.05 0.00 -0.02 0.00 0.00 31.44 25.97 1lti n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lti s THR 80 N -3.36 4.74 0.04 2.62 2.01 -0.85 -4.83 115.64 116.02 1lti s THR 80 Ca 0.45 1.66 -0.30 0.00 0.31 0.00 0.00 61.69 63.81 1lti s THR 80 Cb -0.21 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 1lti s THR 80 CO 0.76 0.35 1.30 -0.54 -0.69 0.00 0.00 174.62 175.80 1lti s LYS 81 N 0.04 4.35 0.10 4.92 3.01 -1.26 -4.41 119.74 126.49 1lti s LYS 81 Ca 0.40 1.88 -0.17 0.00 -1.01 0.00 0.00 55.97 57.06 1lti s LYS 81 Cb -0.21 -3.43 -0.07 0.00 -1.01 0.00 0.00 37.83 33.12 1lti s LYS 81 CO 0.23 -0.42 0.55 0.42 0.51 0.00 0.00 175.35 176.65 1lti s ILE 82 N 1.66 4.80 -0.05 2.17 1.01 0.20 -4.40 121.20 126.60 1lti s ILE 82 Ca 0.61 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 62.25 1lti s ILE 82 Cb -0.31 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1lti s ILE 82 CO 0.27 0.42 -0.07 -0.67 0.00 0.00 0.00 174.94 174.89 1lti n ASP 83 N 1.33 0.55 -4.18 3.58 2.03 -0.67 0.70 116.55 119.88 1lti n ASP 83 Ca -0.08 0.25 -0.12 0.00 0.52 0.00 0.00 54.79 55.35 1lti n ASP 83 Cb 0.51 -0.59 -0.10 0.00 -0.72 0.00 0.00 41.12 40.22 1lti n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1lti s LYS 84 N -1.45 0.85 -0.04 -0.67 1.02 -1.20 0.68 119.74 118.93 1lti s LYS 84 Ca -0.06 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 54.67 1lti s LYS 84 Cb 0.01 -0.34 0.01 0.00 -0.52 0.00 0.00 37.83 36.99 1lti s LYS 84 CO 0.09 0.02 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.93 1lti s LEU 85 N -2.84 1.68 -0.24 3.17 1.43 -0.04 -1.37 118.68 120.47 1lti s LEU 85 Ca 0.10 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1lti s LEU 85 Cb 0.02 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1lti s LEU 85 CO -0.03 0.04 0.13 0.00 0.23 0.00 0.00 176.35 176.73 1lti s VAL 87 N 1.11 1.14 -0.17 0.00 -7.23 -0.18 -0.10 120.40 114.96 1lti s VAL 87 Ca 0.06 -1.40 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 1lti s VAL 87 Cb -0.14 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 1lti s VAL 87 CO 0.04 -0.28 0.65 0.26 -0.31 0.00 0.00 175.10 175.47 1lti s TRP 88 N -1.50 3.41 -1.30 2.82 0.51 0.13 -0.90 118.94 122.12 1lti s TRP 88 Ca 0.00 1.00 0.14 0.00 -2.12 0.00 0.00 56.10 55.13 1lti s TRP 88 Cb -0.09 -2.81 0.54 0.00 -0.81 0.00 0.00 33.47 30.31 1lti s TRP 88 CO 0.02 -0.13 1.42 0.27 -0.51 0.00 0.00 176.95 178.02 1lti n ASN 89 N 4.84 3.67 -1.95 2.95 0.23 0.87 -1.85 115.26 124.02 1lti n ASN 89 Ca -0.01 -2.31 -0.17 0.00 -0.53 0.00 0.00 54.58 51.56 1lti n ASN 89 Cb 0.50 -0.49 0.20 0.00 -2.08 0.00 0.00 39.78 37.91 1lti n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lti n ASN 90 N 0.82 3.60 -3.92 0.53 6.94 -1.26 -4.89 115.26 117.08 1lti n ASN 90 Ca 0.19 -3.59 -0.10 0.00 -0.02 0.00 0.00 54.58 51.06 1lti n ASN 90 Cb 0.69 -0.78 -0.10 0.00 -2.36 0.00 0.00 39.78 37.23 1lti n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1lti s LYS 91 N -3.24 0.50 -0.15 -3.83 -0.14 -1.26 -5.07 119.74 106.54 1lti s LYS 91 Ca 0.54 -0.61 -0.01 0.00 -1.36 0.00 0.00 55.97 54.53 1lti s LYS 91 Cb 0.46 0.20 0.04 0.00 -1.68 0.00 0.00 37.83 36.85 1lti s LYS 91 CO 0.09 -0.12 -0.02 0.99 -0.76 0.00 0.00 175.35 175.53 1lti s THR 92 N -1.96 0.82 0.82 2.17 2.01 -1.26 -3.06 115.64 115.18 1lti s THR 92 Ca -0.10 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 1lti s THR 92 Cb -0.05 -1.06 0.09 0.00 0.01 0.00 0.00 72.50 71.49 1lti s THR 92 CO -0.02 0.10 1.12 -2.84 -0.69 0.00 0.00 174.62 172.29 1lti s PRO 93 N 1.76 1.79 0.42 4.92 0.02 -1.26 -5.08 135.00 137.57 1lti s PRO 93 Ca 0.02 1.36 -0.26 0.00 0.02 0.00 0.00 61.00 62.14 1lti s PRO 93 Cb -0.15 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 1lti s PRO 93 CO -0.07 -2.02 1.35 0.09 -0.33 0.00 0.00 177.00 176.02 1lti n ASN 94 N -3.70 2.98 -4.73 2.53 5.03 -1.17 -4.57 115.26 111.62 1lti n ASN 94 Ca 0.10 1.13 -0.38 0.00 0.87 0.00 0.00 54.58 56.31 1lti n ASN 94 Cb 0.52 -1.55 -0.06 0.00 -1.02 0.00 0.00 39.78 37.68 1lti n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lti s SER 95 N -0.45 6.73 -0.06 6.41 0.15 -0.77 -1.96 113.70 123.75 1lti s SER 95 Ca 0.60 0.87 -0.30 0.00 0.70 0.00 0.00 55.95 57.82 1lti s SER 95 Cb -0.49 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.49 1lti s SER 95 CO 0.59 0.02 1.25 -0.63 1.20 0.00 0.00 173.24 175.67 1lti s ILE 96 N 0.47 4.14 -0.20 6.45 1.01 -0.77 0.21 121.20 132.51 1lti s ILE 96 Ca 0.27 1.47 0.07 0.00 0.00 0.00 0.00 60.65 62.46 1lti s ILE 96 Cb -0.16 -3.94 -0.17 0.00 0.01 0.00 0.00 42.46 38.20 1lti s ILE 96 CO 0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 174.94 174.94 1lti n ALA 97 N 5.44 1.54 -3.45 9.38 0.00 0.86 -4.89 120.51 129.39 1lti n ALA 97 Ca 0.12 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 1lti n ALA 97 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 1lti n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lti s ALA 98 N -2.43 -1.56 0.03 0.00 0.00 -1.04 -4.97 121.76 111.78 1lti s ALA 98 Ca -0.21 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1lti s ALA 98 Cb 0.07 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 1lti s ALA 98 CO 0.59 -0.79 -0.05 -1.50 0.00 0.00 0.00 175.76 174.01 1lti s ILE 99 N -3.77 0.28 0.02 0.00 2.07 -1.26 -1.16 121.20 117.38 1lti s ILE 99 Ca 0.02 -0.89 0.02 0.00 -1.41 0.00 0.00 60.65 58.39 1lti s ILE 99 Cb -0.01 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1lti s ILE 99 CO -0.11 -0.40 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.52 1lti s SER 100 N -1.35 0.72 -0.00 4.50 1.04 -0.47 -5.00 113.70 113.14 1lti s SER 100 Ca -0.12 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.00 1lti s SER 100 Cb -0.09 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 1lti s SER 100 CO -0.00 -0.09 -0.10 -0.04 0.98 0.00 0.00 173.24 173.98 1lti s MET 101 N -0.94 0.81 -0.03 4.02 -1.94 -1.26 -1.68 119.30 118.29 1lti s MET 101 Ca -0.05 -0.40 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 1lti s MET 101 Cb -0.06 -0.78 0.00 0.00 2.01 0.00 0.00 34.83 36.00 1lti s MET 101 CO 0.00 0.21 -0.10 0.21 -0.01 0.00 0.00 175.02 175.33 1lti s LYS 102 N -0.36 1.08 0.00 2.03 2.20 -1.26 -4.94 119.74 118.49 1lti s LYS 102 Ca 0.03 -0.36 0.15 0.00 -0.36 0.00 0.00 55.97 55.44 1lti s LYS 102 Cb -0.04 -1.00 0.12 0.00 -1.51 0.00 0.00 37.83 35.40 1lti s LYS 102 CO -0.00 0.14 0.97 -1.71 -0.36 0.00 0.00 175.35 174.39