#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 1.83 0.01 0.00 -0.02 -1.26 -4.89 135.00 130.67 1lti n PRO 2 Ca 0.00 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1lti n PRO 2 Cb 0.00 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.04 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 0.12 0.63 -4.20 -0.52 1.13 -1.26 -4.98 117.38 108.30 1lti n GLN 3 Ca 0.07 -0.13 -0.14 0.00 -1.94 0.00 0.00 57.00 54.85 1lti n GLN 3 Cb 0.39 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 29.08 1lti n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lti s THR 4 N -3.47 0.00 0.19 5.09 -4.23 -1.26 -5.07 115.64 106.88 1lti s THR 4 Ca -0.06 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.48 1lti s THR 4 Cb 0.13 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1lti s THR 4 CO 0.89 0.00 1.53 -0.29 -0.54 0.00 0.00 174.62 176.20 1lti h ILE 5 N 2.39 1.29 -0.21 2.99 2.10 -1.96 -2.51 117.51 121.60 1lti h ILE 5 Ca -0.31 -1.62 -0.10 0.00 1.08 0.00 0.00 64.86 63.91 1lti h ILE 5 Cb 1.24 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 38.50 1lti h ILE 5 CO 0.45 0.52 -0.30 0.71 -1.08 0.00 0.00 178.15 178.45 1lti h THR 6 N 0.57 1.28 -0.42 2.19 1.35 -1.99 0.11 112.91 115.99 1lti h THR 6 Ca 0.04 -1.34 -0.09 0.00 -0.55 0.00 0.00 66.41 64.46 1lti h THR 6 Cb 0.98 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1lti h THR 6 CO 0.09 0.42 -0.11 -0.33 -0.25 0.00 0.00 175.52 175.35 1lti h GLU 7 N 0.37 0.82 -0.43 4.72 5.08 -1.97 -2.46 114.58 120.70 1lti h GLU 7 Ca 0.05 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1lti h GLU 7 Cb 0.72 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1lti h GLU 7 CO 0.06 0.94 -0.07 1.25 -1.00 0.00 0.00 179.01 180.18 1lti h LEU 8 N 0.64 0.80 -1.45 1.33 6.46 -1.15 -3.14 115.31 118.79 1lti h LEU 8 Ca 0.11 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1lti h LEU 8 Cb 0.64 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1lti h LEU 8 CO 0.04 0.96 0.15 0.00 -0.62 0.00 0.00 178.44 178.97 1lti h SER 10 N 0.51 0.00 0.29 0.00 0.02 -1.39 -2.96 113.55 110.02 1lti h SER 10 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1lti h SER 10 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1lti h SER 10 CO -0.01 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.06 1lti n GLU 11 N -2.68 0.42 -4.45 3.45 -0.58 -1.04 -4.84 120.64 110.91 1lti n GLU 11 Ca 0.00 0.06 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 1lti n GLU 11 Cb 0.21 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.47 1lti n GLU 11 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1lti s TYR 12 N -2.41 2.27 0.09 -0.32 1.51 -1.12 -5.13 117.35 112.24 1lti s TYR 12 Ca 0.24 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 55.80 1lti s TYR 12 Cb 0.15 -1.02 -0.06 0.00 -0.11 0.00 0.00 41.96 40.91 1lti s TYR 12 CO 0.31 0.65 0.52 1.03 -1.11 0.00 0.00 175.55 176.94 1lti s ARG 13 N -3.28 4.02 -1.07 -0.62 0.52 -1.26 -4.30 118.95 112.96 1lti s ARG 13 Ca 0.27 0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 56.00 1lti s ARG 13 Cb -0.06 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.32 1lti s ARG 13 CO 0.13 0.58 0.15 0.09 0.02 0.00 0.00 175.30 176.27 1lti n ASN 14 N 1.32 -4.22 -4.63 0.23 5.03 -1.26 -4.95 115.26 106.78 1lti n ASN 14 Ca -0.09 -0.08 -0.28 0.00 0.87 0.00 0.00 54.58 55.00 1lti n ASN 14 Cb 0.52 -3.29 -0.09 0.00 -1.02 0.00 0.00 39.78 35.90 1lti n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1lti s THR 15 N -2.76 3.60 0.08 3.41 -4.23 -1.26 -0.32 115.64 114.16 1lti s THR 15 Ca 0.07 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1lti s THR 15 Cb -0.03 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 1lti s THR 15 CO 0.09 -0.01 -0.08 -1.10 -0.54 0.00 0.00 174.62 172.98 1lti s GLN 16 N -2.61 0.75 -0.07 3.99 -1.52 0.07 -4.88 119.66 115.39 1lti s GLN 16 Ca 0.25 -1.12 0.02 0.00 -1.95 0.00 0.00 55.36 52.56 1lti s GLN 16 Cb -0.10 -0.33 -0.03 0.00 -0.22 0.00 0.00 33.01 32.33 1lti s GLN 16 CO 0.17 0.03 -0.10 0.42 -0.25 0.00 0.00 175.29 175.56 1lti s ILE 17 N -2.63 3.39 -0.11 1.08 -1.09 -1.26 -1.41 121.20 119.17 1lti s ILE 17 Ca 0.04 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 1lti s ILE 17 Cb -0.02 -2.37 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 1lti s ILE 17 CO -0.02 0.58 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.80 1lti s TYR 18 N -0.61 2.08 -0.41 3.97 2.02 -0.50 -4.98 117.35 118.93 1lti s TYR 18 Ca 0.09 -0.97 -0.24 0.00 -0.37 0.00 0.00 57.07 55.58 1lti s TYR 18 Cb -0.11 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1lti s TYR 18 CO 0.02 -0.48 0.82 0.99 -1.57 0.00 0.00 175.55 175.33 1lti s THR 19 N 0.91 4.65 -0.13 -0.71 2.01 -1.26 -1.15 115.64 119.95 1lti s THR 19 Ca -0.08 0.75 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 1lti s THR 19 Cb -0.15 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 1lti s THR 19 CO -0.01 -0.60 -0.16 0.40 -0.69 0.00 0.00 174.62 173.56 1lti h ILE 20 N 5.89 0.00 -5.95 1.82 1.08 -1.02 -3.49 117.51 115.84 1lti h ILE 20 Ca -0.24 -0.95 -0.37 0.00 -0.39 0.00 0.00 64.86 62.91 1lti h ILE 20 Cb 1.09 0.00 0.12 0.00 -3.07 0.00 0.00 36.82 34.96 1lti h ILE 20 CO 0.95 0.00 -0.90 -3.20 -0.69 0.00 0.00 178.15 174.32 1lti n ASN 21 N -4.50 -5.05 -3.63 1.72 4.05 0.57 -4.98 115.26 103.44 1lti n ASN 21 Ca -0.06 -0.89 -0.03 0.00 0.45 0.00 0.00 54.58 54.05 1lti n ASN 21 Cb 0.24 -4.09 -0.01 0.00 1.23 0.00 0.00 39.78 37.15 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 -3.59 -0.16 0.51 1.20 2.15 -1.03 -4.92 116.67 110.83 1lti s ASP 22 Ca 0.39 -0.16 -0.06 0.00 0.43 0.00 0.00 52.55 53.16 1lti s ASP 22 Cb -0.11 0.28 -0.03 0.00 -0.30 0.00 0.00 42.92 42.77 1lti s ASP 22 CO 0.81 -0.50 0.82 -1.59 -0.17 0.00 0.00 175.17 174.55 1lti s LYS 23 N -2.77 3.40 0.23 4.34 -2.85 -1.26 -0.98 119.74 119.85 1lti s LYS 23 Ca 0.11 0.17 -0.30 0.00 -1.00 0.00 0.00 55.97 54.95 1lti s LYS 23 Cb 0.01 -2.34 -0.09 0.00 -2.06 0.00 0.00 37.83 33.35 1lti s LYS 23 CO -0.03 -0.33 1.27 0.42 0.10 0.00 0.00 175.35 176.78 1lti s ILE 24 N -2.82 3.21 -0.06 3.79 1.01 -1.26 -4.74 121.20 120.33 1lti s ILE 24 Ca 0.49 1.05 -0.15 0.00 0.00 0.00 0.00 60.65 62.04 1lti s ILE 24 Cb -0.10 -3.67 -0.30 0.00 0.01 0.00 0.00 42.46 38.40 1lti s ILE 24 CO 0.45 0.18 0.69 0.25 0.00 0.00 0.00 174.94 176.51 1lti h LEU 25 N 4.88 0.53 -7.88 2.97 5.85 -1.24 -3.48 115.31 116.95 1lti h LEU 25 Ca -0.46 -0.90 -0.13 0.00 0.84 0.00 0.00 57.88 57.23 1lti h LEU 25 Cb 1.22 -0.17 -0.18 0.00 0.37 0.00 0.00 40.66 41.89 1lti h LEU 25 CO 0.74 1.66 -0.51 -0.94 -0.34 0.00 0.00 178.44 179.05 1lti s SER 26 N -7.18 0.16 -0.05 1.25 1.04 -1.19 -4.99 113.70 102.73 1lti s SER 26 Ca -0.16 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.79 1lti s SER 26 Cb 0.04 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1lti s SER 26 CO 0.83 -0.50 -0.11 -0.47 0.98 0.00 0.00 173.24 173.97 1lti s TYR 27 N -2.49 1.25 -0.06 5.02 5.04 -1.26 -2.45 117.35 122.41 1lti s TYR 27 Ca -0.06 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.18 1lti s TYR 27 Cb -0.02 -0.93 0.01 0.00 0.35 0.00 0.00 41.96 41.37 1lti s TYR 27 CO -0.04 -0.22 -0.11 0.99 -1.34 0.00 0.00 175.55 174.83 1lti s THR 28 N 0.58 1.02 -0.08 4.34 2.01 0.73 -4.98 115.64 119.27 1lti s THR 28 Ca -0.11 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1lti s THR 28 Cb -0.14 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1lti s THR 28 CO 0.02 0.33 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.42 1lti s GLU 29 N 0.59 2.15 -0.03 4.92 2.12 -1.26 -0.94 118.70 126.25 1lti s GLU 29 Ca -0.12 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 54.70 1lti s GLU 29 Cb -0.14 -1.71 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 1lti s GLU 29 CO 0.03 0.07 -0.21 0.45 -0.54 0.00 0.00 175.26 175.06 1lti s SER 30 N 0.57 2.58 0.00 -1.70 0.15 -0.26 -4.98 113.70 110.06 1lti s SER 30 Ca -0.16 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.13 1lti s SER 30 Cb -0.17 -0.49 0.13 0.00 -1.71 0.00 0.00 66.02 63.79 1lti s SER 30 CO 0.05 0.24 1.07 1.15 1.20 0.00 0.00 173.24 176.95 1lti n MET 31 N 2.78 2.61 -1.90 5.44 0.00 -1.26 -2.62 117.12 122.17 1lti n MET 31 Ca -0.16 -1.66 -0.35 0.00 0.00 0.00 0.00 57.70 55.52 1lti n MET 31 Cb 0.52 -1.12 0.04 0.00 0.00 0.00 0.00 33.22 32.66 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 -0.94 2.48 0.10 3.17 0.00 -1.26 -4.81 121.76 120.49 1lti s ALA 32 Ca 0.10 0.89 -0.34 0.00 0.00 0.00 0.00 51.96 52.62 1lti s ALA 32 Cb 0.06 -3.42 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1lti s ALA 32 CO 0.07 -1.26 1.65 0.41 0.00 0.00 0.00 175.76 176.64 1lti n GLY 33 N 0.28 1.21 2.68 0.00 0.00 -1.26 -1.48 105.19 106.62 1lti n GLY 33 Ca 0.13 0.70 -0.04 0.00 0.00 0.00 0.00 46.02 46.81 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 4.20 -1.42 -1.27 1.61 5.02 -1.26 -4.80 118.16 120.24 1lti n LYS 34 Ca 0.18 0.56 0.04 0.00 -2.02 0.00 0.00 58.31 57.07 1lti n LYS 34 Cb 0.29 -4.71 0.07 0.00 -0.02 0.00 0.00 35.03 30.66 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 -0.62 0.48 -2.34 1.97 3.00 -0.55 -4.98 116.66 113.61 1lti n ARG 35 Ca -0.04 -2.39 -0.38 0.00 -0.01 0.00 0.00 57.85 55.03 1lti n ARG 35 Cb 0.42 -0.48 -0.03 0.00 0.00 0.00 0.00 32.46 32.37 1lti n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1lti s GLU 36 N -0.96 3.04 0.36 5.56 8.01 -1.17 -4.40 118.70 129.14 1lti s GLU 36 Ca 0.35 -0.25 -0.13 0.00 0.01 0.00 0.00 54.97 54.95 1lti s GLU 36 Cb 0.38 -4.67 0.04 0.00 -4.31 0.00 0.00 34.13 25.57 1lti s GLU 36 CO -0.14 -2.53 0.69 0.00 0.01 0.00 0.00 175.26 173.29 1lti s MET 37 N 6.10 2.09 -0.02 1.61 0.23 -1.08 -4.16 119.30 124.07 1lti s MET 37 Ca 0.52 -1.48 0.02 0.00 -1.03 0.00 0.00 55.69 53.72 1lti s MET 37 Cb -0.07 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.81 1lti s MET 37 CO 0.08 -0.95 -0.07 0.08 -2.03 0.00 0.00 175.02 172.13 1lti s VAL 38 N -2.71 0.65 -0.03 5.16 1.01 -1.25 -1.10 120.40 122.13 1lti s VAL 38 Ca 0.19 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1lti s VAL 38 Cb -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1lti s VAL 38 CO 0.13 0.21 -0.18 -0.63 0.00 0.00 0.00 175.10 174.63 1lti s ILE 39 N 0.23 1.45 0.07 2.22 1.01 -0.12 -1.79 121.20 124.28 1lti s ILE 39 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1lti s ILE 39 Cb -0.08 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1lti s ILE 39 CO 0.00 0.41 -0.08 0.27 0.00 0.00 0.00 174.94 175.54 1lti s ILE 40 N -0.22 0.67 0.18 2.92 -4.36 -0.66 -0.20 121.20 119.53 1lti s ILE 40 Ca 0.02 -1.40 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1lti s ILE 40 Cb -0.09 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 1lti s ILE 40 CO 0.01 -0.53 0.14 0.42 0.24 0.00 0.00 174.94 175.22 1lti s THR 41 N -2.13 0.04 0.19 8.37 -4.23 -1.02 -1.48 115.64 115.37 1lti s THR 41 Ca -0.01 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 1lti s THR 41 Cb -0.05 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1lti s THR 41 CO -0.01 -0.17 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.45 1lti s PHE 42 N -4.10 1.51 0.52 3.99 0.40 -0.53 -0.67 117.98 119.10 1lti s PHE 42 Ca 0.31 -0.73 0.27 0.00 -0.60 0.00 0.00 56.93 56.19 1lti s PHE 42 Cb 0.06 -0.78 1.39 0.00 0.51 0.00 0.00 43.02 44.21 1lti s PHE 42 CO 0.08 0.16 1.92 -0.22 0.70 0.00 0.00 175.22 177.85 1lti h LYS 43 N 2.61 0.07 0.00 0.44 3.64 -1.90 0.14 116.57 121.57 1lti h LYS 43 Ca -0.38 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1lti h LYS 43 Cb 1.21 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1lti h LYS 43 CO 0.64 0.04 -0.01 0.66 -2.27 0.00 0.00 179.45 178.51 1lti h SER 44 N 0.07 0.00 0.00 4.20 4.64 -1.97 -3.46 113.55 117.03 1lti h SER 44 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1lti h SER 44 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1lti h SER 44 CO -0.03 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1lti n GLY 45 N -0.38 0.67 3.73 -0.77 0.00 0.48 -5.08 105.19 103.85 1lti n GLY 45 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.60 4.67 -0.05 1.61 2.02 -1.25 -4.85 118.70 120.26 1lti s GLU 46 Ca 0.00 1.38 0.06 0.00 0.02 0.00 0.00 54.97 56.42 1lti s GLU 46 Cb 0.00 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 1lti s GLU 46 CO 0.00 0.26 -0.22 0.99 0.02 0.00 0.00 175.26 176.31 1lti s THR 47 N -0.13 1.81 0.05 3.63 2.01 -1.26 -1.45 115.64 120.30 1lti s THR 47 Ca 0.45 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1lti s THR 47 Cb -0.23 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1lti s THR 47 CO 0.29 0.51 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.29 1lti s PHE 48 N -0.16 0.69 0.36 4.92 0.08 -0.55 -4.03 117.98 119.30 1lti s PHE 48 Ca -0.02 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.48 1lti s PHE 48 Cb -0.12 -0.42 -0.06 0.00 -0.57 0.00 0.00 43.02 41.85 1lti s PHE 48 CO 0.02 -0.11 0.05 1.14 -0.10 0.00 0.00 175.22 176.22 1lti s GLN 49 N -2.11 1.78 -0.25 0.44 -2.07 -0.93 -1.66 119.66 114.87 1lti s GLN 49 Ca -0.05 -2.01 0.01 0.00 -1.82 0.00 0.00 55.36 51.49 1lti s GLN 49 Cb -0.06 -1.07 0.06 0.00 -1.09 0.00 0.00 33.01 30.85 1lti s GLN 49 CO -0.01 -0.19 -0.05 0.08 -1.32 0.00 0.00 175.29 173.80 1lti s VAL 50 N -3.12 1.69 0.67 3.63 1.01 -0.74 -1.73 120.40 121.81 1lti s VAL 50 Ca 0.33 -1.38 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 1lti s VAL 50 Cb 0.08 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1lti s VAL 50 CO 0.15 -0.13 0.48 -0.62 0.00 0.00 0.00 175.10 174.98 1lti n GLU 51 N 4.60 0.36 -2.25 2.72 1.02 -1.26 -3.78 120.64 122.05 1lti n GLU 51 Ca -0.11 0.16 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 1lti n GLU 51 Cb 0.43 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1lti n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lti s VAL 52 N -1.85 3.12 0.18 2.62 1.01 -1.26 -4.89 120.40 119.33 1lti s VAL 52 Ca 0.66 1.03 -0.32 0.00 0.00 0.00 0.00 61.98 63.35 1lti s VAL 52 Cb -0.38 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 1lti s VAL 52 CO 0.57 0.21 1.73 -2.84 0.00 0.00 0.00 175.10 174.77 1lti s PRO 53 N -1.01 4.14 0.00 2.72 0.02 -1.26 -4.93 135.00 134.67 1lti s PRO 53 Ca 0.51 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1lti s PRO 53 Cb -0.36 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1lti s PRO 53 CO 0.44 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1lti n GLY 54 N 4.01 3.36 0.31 0.52 0.00 -1.26 -5.04 105.19 107.09 1lti n GLY 54 Ca 0.16 -1.39 0.21 0.00 0.00 0.00 0.00 46.02 45.00 1lti n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lti h SER 55 N 0.00 0.00 -0.19 1.61 4.64 -2.03 -1.89 113.55 115.69 1lti h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lti h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lti h SER 55 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1lti n GLN 56 N -2.95 1.56 -4.89 4.77 0.00 -1.26 -4.83 117.38 109.79 1lti n GLN 56 Ca -0.03 -0.86 -0.33 0.00 0.00 0.00 0.00 57.00 55.79 1lti n GLN 56 Cb 0.09 -1.29 -0.15 0.00 0.00 0.00 0.00 30.24 28.89 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 -1.76 2.74 0.53 2.61 3.76 -0.71 -5.12 115.29 117.34 1lti s HIS 57 Ca 0.24 -0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 54.29 1lti s HIS 57 Cb 0.13 -1.80 -0.07 0.00 1.11 0.00 0.00 32.58 31.95 1lti s HIS 57 CO 0.19 -0.23 1.00 0.96 -0.85 0.00 0.00 174.74 175.81 1lti s ILE 58 N 0.27 4.31 0.55 0.60 -4.36 -1.26 -4.89 121.20 116.43 1lti s ILE 58 Ca -0.11 1.14 0.31 0.00 -0.26 0.00 0.00 60.65 61.73 1lti s ILE 58 Cb -0.16 -3.62 0.46 0.00 1.25 0.00 0.00 42.46 40.39 1lti s ILE 58 CO 0.06 -0.60 1.86 -0.78 0.24 0.00 0.00 174.94 175.72 1lti h ASP 59 N 0.88 0.00 0.43 4.36 1.82 -2.00 0.01 116.42 121.92 1lti h ASP 59 Ca -0.47 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.06 1lti h ASP 59 Cb 1.19 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 1lti h ASP 59 CO 0.60 0.00 -0.50 0.77 -1.61 0.00 0.00 179.24 178.51 1lti h SER 60 N 0.00 0.09 1.42 2.28 4.64 -2.04 -2.86 113.55 117.07 1lti h SER 60 Ca 0.38 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1lti h SER 60 Cb 1.66 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1lti h SER 60 CO -0.00 0.57 0.00 1.56 -0.87 0.00 0.00 176.83 178.09 1lti h GLN 61 N 0.07 0.00 0.03 4.77 4.20 -1.35 -3.33 115.11 119.50 1lti h GLN 61 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1lti h GLN 61 Cb 0.90 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1lti h GLN 61 CO 0.07 0.00 -0.21 0.87 -0.67 0.00 0.00 178.83 178.89 1lti h LYS 62 N 0.00 -0.33 0.00 1.46 1.79 -1.50 -0.00 116.57 117.98 1lti h LYS 62 Ca 0.00 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 1lti h LYS 62 Cb 0.71 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1lti h LYS 62 CO 0.00 -0.22 -0.37 0.87 -1.08 0.00 0.00 179.45 178.65 1lti h LYS 63 N -0.34 0.00 0.00 3.15 1.57 -1.75 -2.84 116.57 116.36 1lti h LYS 63 Ca 0.05 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1lti h LYS 63 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1lti h LYS 63 CO -0.17 0.37 -0.52 0.00 -0.57 0.00 0.00 179.45 178.56 1lti h ALA 64 N 1.63 1.07 -0.30 3.86 0.00 -1.45 -2.61 119.26 121.46 1lti h ALA 64 Ca -0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1lti h ALA 64 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1lti h ALA 64 CO 0.05 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.70 1lti h ILE 65 N 0.00 1.28 -0.65 0.00 2.04 -0.78 -2.12 117.51 117.29 1lti h ILE 65 Ca -0.01 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1lti h ILE 65 Cb 0.96 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1lti h ILE 65 CO 0.07 0.35 0.37 -0.33 0.00 0.00 0.00 178.15 178.60 1lti h GLU 66 N 0.34 0.90 -0.74 2.37 4.39 -1.51 -1.91 114.58 118.41 1lti h GLU 66 Ca 0.08 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1lti h GLU 66 Cb 0.54 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1lti h GLU 66 CO 0.03 0.67 0.39 -0.09 -1.16 0.00 0.00 179.01 178.85 1lti h ARG 67 N 0.89 1.05 -0.38 2.33 2.43 -1.36 -0.93 114.38 118.40 1lti h ARG 67 Ca 0.23 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1lti h ARG 67 Cb 0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1lti h ARG 67 CO -0.04 0.80 0.14 1.98 -1.51 0.00 0.00 179.97 181.34 1lti h MET 68 N 1.03 0.58 -0.38 0.20 4.05 -1.05 0.61 114.93 119.99 1lti h MET 68 Ca 0.26 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1lti h MET 68 Cb 0.07 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1lti h MET 68 CO -0.04 0.57 0.06 0.87 0.23 0.00 0.00 176.91 178.60 1lti h LYS 69 N 0.47 0.56 -0.52 0.39 1.57 -1.11 -0.69 116.57 117.24 1lti h LYS 69 Ca 0.13 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1lti h LYS 69 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1lti h LYS 69 CO -0.01 0.54 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.93 1lti h ASP 70 N 0.55 0.95 -0.38 0.86 3.32 -0.70 -2.53 116.42 118.48 1lti h ASP 70 Ca 0.12 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 1lti h ASP 70 Cb 0.26 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1lti h ASP 70 CO 0.00 1.05 -0.07 0.74 -1.72 0.00 0.00 179.24 179.23 1lti h THR 71 N 0.82 1.25 -0.31 0.35 2.02 0.03 -2.60 112.91 114.47 1lti h THR 71 Ca 0.14 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 1lti h THR 71 Cb 0.59 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1lti h THR 71 CO 0.04 0.39 -0.27 -0.07 0.37 0.00 0.00 175.52 175.97 1lti h LEU 72 N 0.74 0.65 -0.15 2.58 3.38 -0.97 -1.77 115.31 119.77 1lti h LEU 72 Ca 0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1lti h LEU 72 Cb 0.55 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1lti h LEU 72 CO 0.03 0.90 -0.05 -0.09 0.09 0.00 0.00 178.44 179.32 1lti h ARG 73 N 0.55 0.29 -0.37 1.13 2.43 -1.30 -2.02 114.38 115.11 1lti h ARG 73 Ca 0.07 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1lti h ARG 73 Cb 0.75 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1lti h ARG 73 CO 0.06 0.59 -0.23 0.97 -1.51 0.00 0.00 179.97 179.86 1lti h ILE 74 N -0.03 1.27 -0.71 1.20 6.09 -1.46 -1.82 117.51 122.05 1lti h ILE 74 Ca 0.04 -1.33 -0.03 0.00 -1.37 0.00 0.00 64.86 62.16 1lti h ILE 74 Cb 0.50 1.24 -0.03 0.00 0.47 0.00 0.00 36.82 38.99 1lti h ILE 74 CO 0.02 0.44 0.31 0.74 -3.07 0.00 0.00 178.15 176.58 1lti h THR 75 N 0.63 1.24 0.67 2.19 2.02 -1.32 -0.40 112.91 117.94 1lti h THR 75 Ca 0.09 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1lti h THR 75 Cb 0.72 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1lti h THR 75 CO 0.06 0.30 -0.32 0.22 0.37 0.00 0.00 175.52 176.14 1lti h TYR 76 N 1.01 -0.84 -0.86 3.16 3.20 -1.14 -0.69 116.97 120.80 1lti h TYR 76 Ca 0.24 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.16 1lti h TYR 76 Cb 0.17 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1lti h TYR 76 CO 0.01 -0.50 0.53 -0.07 -1.64 0.00 0.00 178.16 176.49 1lti h LEU 77 N -0.96 0.82 -0.14 2.82 3.38 -1.17 -1.87 115.31 118.18 1lti h LEU 77 Ca -0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1lti h LEU 77 Cb 0.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1lti h LEU 77 CO 0.15 0.52 -0.07 0.35 0.09 0.00 0.00 178.44 179.48 1lti n THR 78 N -4.63 0.00 -3.44 0.22 -2.24 -0.17 -4.92 114.28 99.10 1lti n THR 78 Ca 0.13 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 1lti n THR 78 Cb 0.20 -0.24 0.08 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.07 -6.86 -3.09 -0.78 1.02 -0.39 -4.97 120.64 104.50 1lti n GLU 79 Ca 0.15 0.79 -0.39 0.00 -0.02 0.00 0.00 57.16 57.68 1lti n GLU 79 Cb 0.26 -5.67 -0.05 0.00 -0.02 0.00 0.00 31.44 25.96 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 -3.32 4.95 0.10 2.62 2.01 -0.46 -4.87 115.64 116.67 1lti s THR 80 Ca 0.28 1.41 -0.31 0.00 0.31 0.00 0.00 61.69 63.38 1lti s THR 80 Cb -0.12 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.29 1lti s THR 80 CO 0.68 0.32 1.39 -0.54 -0.69 0.00 0.00 174.62 175.78 1lti s LYS 81 N 0.34 4.32 -0.03 4.92 1.02 -1.26 -4.42 119.74 124.63 1lti s LYS 81 Ca 0.35 2.06 -0.19 0.00 0.02 0.00 0.00 55.97 58.21 1lti s LYS 81 Cb -0.18 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1lti s LYS 81 CO 0.19 -0.45 0.55 0.42 -0.92 0.00 0.00 175.35 175.14 1lti s ILE 82 N 1.23 4.98 -0.08 2.17 1.01 -0.15 -4.37 121.20 125.99 1lti s ILE 82 Ca 0.64 1.14 -0.02 0.00 0.00 0.00 0.00 60.65 62.42 1lti s ILE 82 Cb -0.36 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1lti s ILE 82 CO 0.30 0.42 -0.03 -0.78 0.00 0.00 0.00 174.94 174.84 1lti h ASP 83 N 5.76 0.00 -5.17 3.58 3.58 -1.02 0.17 116.42 123.33 1lti h ASP 83 Ca -0.45 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 56.83 1lti h ASP 83 Cb 1.20 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.10 1lti h ASP 83 CO 0.70 0.41 -0.67 -0.54 -2.88 0.00 0.00 179.24 176.26 1lti s LYS 84 N -1.52 0.79 0.01 0.28 1.02 -1.20 -0.50 119.74 118.62 1lti s LYS 84 Ca -0.03 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 54.66 1lti s LYS 84 Cb 0.00 0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.43 1lti s LYS 84 CO 0.04 -0.15 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.70 1lti s LEU 85 N -3.00 2.09 -0.17 3.17 1.43 -0.30 -2.19 118.68 119.71 1lti s LEU 85 Ca 0.15 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1lti s LEU 85 Cb 0.07 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 1lti s LEU 85 CO -0.04 0.05 -0.08 0.00 0.23 0.00 0.00 176.35 176.50 1lti s VAL 87 N 0.79 0.38 -0.22 0.00 -7.23 -0.50 -0.18 120.40 113.43 1lti s VAL 87 Ca -0.03 -0.87 -0.28 0.00 -1.81 0.00 0.00 61.98 58.98 1lti s VAL 87 Cb -0.15 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.34 1lti s VAL 87 CO 0.01 -0.33 1.00 0.26 -0.31 0.00 0.00 175.10 175.73 1lti s TRP 88 N -1.17 3.35 -2.10 2.82 0.51 0.26 -0.75 118.94 121.87 1lti s TRP 88 Ca -0.10 1.42 0.14 0.00 -2.12 0.00 0.00 56.10 55.44 1lti s TRP 88 Cb -0.08 -3.22 0.47 0.00 -0.81 0.00 0.00 33.47 29.83 1lti s TRP 88 CO -0.00 -0.44 1.36 0.27 -0.51 0.00 0.00 176.95 177.63 1lti n ASN 89 N 6.13 1.77 -2.01 2.95 0.23 0.56 -2.13 115.26 122.77 1lti n ASN 89 Ca 0.10 -1.89 -0.17 0.00 -0.53 0.00 0.00 54.58 52.10 1lti n ASN 89 Cb 0.47 -0.19 0.18 0.00 -2.08 0.00 0.00 39.78 38.16 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 0.43 3.84 -3.95 0.53 6.94 -1.26 -4.87 115.26 116.93 1lti n ASN 90 Ca 0.13 -3.30 -0.09 0.00 -0.02 0.00 0.00 54.58 51.30 1lti n ASN 90 Cb 0.30 -0.77 -0.10 0.00 -2.36 0.00 0.00 39.78 36.85 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 -2.79 0.45 -0.11 -3.83 3.01 -1.26 -5.06 119.74 110.16 1lti s LYS 91 Ca 0.49 -0.65 -0.02 0.00 -1.01 0.00 0.00 55.97 54.78 1lti s LYS 91 Cb 0.40 0.17 0.04 0.00 -1.01 0.00 0.00 37.83 37.43 1lti s LYS 91 CO 0.10 -0.10 0.01 0.99 0.51 0.00 0.00 175.35 176.86 1lti s THR 92 N -1.97 0.44 1.10 2.17 2.01 -1.26 -2.33 115.64 115.79 1lti s THR 92 Ca -0.11 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 1lti s THR 92 Cb -0.05 -0.69 0.25 0.00 0.01 0.00 0.00 72.50 72.01 1lti s THR 92 CO -0.02 0.13 1.06 -2.84 -0.69 0.00 0.00 174.62 172.26 1lti s PRO 93 N 1.93 -0.38 0.23 4.92 0.02 -1.26 -5.06 135.00 135.40 1lti s PRO 93 Ca 0.03 0.66 -0.31 0.00 0.02 0.00 0.00 61.00 61.41 1lti s PRO 93 Cb -0.14 -1.63 -0.11 0.00 0.02 0.00 0.00 34.50 32.65 1lti s PRO 93 CO -0.06 -3.32 1.56 -0.80 -0.33 0.00 0.00 177.00 174.06 1lti s ASN 94 N -2.96 6.51 0.07 2.53 0.01 -0.99 -4.62 114.94 115.49 1lti s ASN 94 Ca 0.67 2.77 -0.30 0.00 -0.71 0.00 0.00 52.86 55.29 1lti s ASN 94 Cb -0.22 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.77 1lti s ASN 94 CO 0.61 -0.84 1.07 -0.55 -1.51 0.00 0.00 177.10 175.89 1lti s SER 95 N 0.74 7.27 0.07 -1.22 0.15 -0.90 -2.18 113.70 117.62 1lti s SER 95 Ca 0.66 1.88 -0.30 0.00 0.70 0.00 0.00 55.95 58.89 1lti s SER 95 Cb -0.45 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.22 1lti s SER 95 CO 0.40 -0.30 1.08 -0.63 1.20 0.00 0.00 173.24 175.00 1lti s ILE 96 N 0.63 4.30 -0.12 6.45 1.01 -0.70 -0.57 121.20 132.20 1lti s ILE 96 Ca 0.53 1.75 0.04 0.00 0.00 0.00 0.00 60.65 62.97 1lti s ILE 96 Cb -0.26 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 37.99 1lti s ILE 96 CO 0.30 0.19 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 1lti n ALA 97 N 3.44 1.73 -3.41 9.38 0.00 0.75 -4.88 120.51 127.52 1lti n ALA 97 Ca 0.06 -0.60 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 1lti n ALA 97 Cb 0.48 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.26 -1.50 0.23 0.00 0.00 -1.01 -4.98 121.76 112.25 1lti s ALA 98 Ca -0.13 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1lti s ALA 98 Cb 0.04 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1lti s ALA 98 CO 0.34 -0.45 -0.11 0.42 0.00 0.00 0.00 175.76 175.96 1lti s ILE 99 N -1.92 1.70 -0.08 0.00 1.01 -1.26 -1.41 121.20 119.24 1lti s ILE 99 Ca -0.08 -2.18 -0.08 0.00 0.00 0.00 0.00 60.65 58.31 1lti s ILE 99 Cb -0.01 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1lti s ILE 99 CO 0.03 -0.47 0.23 -0.55 0.00 0.00 0.00 174.94 174.17 1lti s SER 100 N -3.37 -0.22 -0.00 3.58 0.15 -0.93 -5.00 113.70 107.90 1lti s SER 100 Ca 0.25 0.42 0.02 0.00 0.70 0.00 0.00 55.95 57.34 1lti s SER 100 Cb 0.01 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1lti s SER 100 CO 0.09 -0.10 -0.06 -0.04 1.20 0.00 0.00 173.24 174.33 1lti s MET 101 N 0.01 0.47 -0.03 5.44 -1.94 -1.26 -0.38 119.30 121.60 1lti s MET 101 Ca -0.01 -0.23 -0.01 0.00 -1.71 0.00 0.00 55.69 53.73 1lti s MET 101 Cb -0.02 -0.44 0.03 0.00 2.01 0.00 0.00 34.83 36.41 1lti s MET 101 CO 0.00 0.12 0.05 0.21 -0.01 0.00 0.00 175.02 175.40 1lti s LYS 102 N -0.19 -0.04 0.00 2.03 2.20 -1.26 -4.90 119.74 117.58 1lti s LYS 102 Ca 0.02 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1lti s LYS 102 Cb -0.03 -0.32 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 1lti s LYS 102 CO -0.00 -0.22 0.00 0.09 -0.36 0.00 0.00 175.35 174.86