#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lti s PRO 2 N 0.00 1.16 0.00 0.00 0.02 -1.26 -4.96 135.00 129.96 1lti s PRO 2 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.33 1lti s PRO 2 Cb 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1lti s PRO 2 CO 0.00 -2.45 0.00 1.04 -0.33 0.00 0.00 177.00 175.26 1lti n GLN 3 N -4.09 6.05 -4.11 5.54 6.02 -1.26 -4.99 117.38 120.54 1lti n GLN 3 Ca 0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1lti n GLN 3 Cb 0.53 -0.44 -0.10 0.00 1.02 0.00 0.00 30.24 31.25 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 -0.88 0.13 0.34 5.09 -4.23 -1.26 -5.05 115.64 109.79 1lti s THR 4 Ca 0.00 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 58.79 1lti s THR 4 Cb 0.00 -1.89 0.08 0.00 1.34 0.00 0.00 72.50 72.03 1lti s THR 4 CO 0.00 -0.57 1.79 -0.29 -0.54 0.00 0.00 174.62 175.01 1lti h ILE 5 N 2.89 1.27 -0.37 2.99 2.10 -1.97 -2.04 117.51 122.39 1lti h ILE 5 Ca -0.34 -1.30 -0.09 0.00 1.08 0.00 0.00 64.86 64.20 1lti h ILE 5 Cb 1.19 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 38.51 1lti h ILE 5 CO 0.59 0.38 -0.13 0.74 -1.08 0.00 0.00 178.15 178.65 1lti h THR 6 N 0.12 1.28 -0.16 2.19 2.02 -1.98 0.40 112.91 116.79 1lti h THR 6 Ca 0.01 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1lti h THR 6 Cb 0.68 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1lti h THR 6 CO 0.05 0.41 0.10 -0.33 0.37 0.00 0.00 175.52 176.12 1lti h GLU 7 N 0.54 0.21 -0.55 6.66 5.08 -1.92 -0.83 114.58 123.77 1lti h GLU 7 Ca 0.09 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1lti h GLU 7 Cb 0.66 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1lti h GLU 7 CO 0.05 0.15 0.12 1.25 -1.00 0.00 0.00 179.01 179.57 1lti h LEU 8 N 0.20 0.84 -1.17 1.33 5.85 -1.28 -3.13 115.31 117.96 1lti h LEU 8 Ca 0.06 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1lti h LEU 8 Cb -0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1lti h LEU 8 CO -0.01 0.87 0.32 0.00 -0.34 0.00 0.00 178.44 179.28 1lti n SER 10 N -4.36 0.00 -0.64 0.00 3.41 -0.36 -3.08 113.62 108.60 1lti n SER 10 Ca 0.06 -1.22 0.12 0.00 -0.26 0.00 0.00 58.87 57.57 1lti n SER 10 Cb 0.12 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.45 1lti n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lti n GLU 11 N -0.81 1.86 -4.36 4.33 1.02 -0.83 -4.91 120.64 116.93 1lti n GLU 11 Ca 0.13 -1.27 -0.20 0.00 -0.02 0.00 0.00 57.16 55.80 1lti n GLU 11 Cb 0.06 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.85 1.83 0.20 -0.32 1.51 -1.18 -5.14 117.35 112.40 1lti s TYR 12 Ca 0.35 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1lti s TYR 12 Cb 0.20 -0.86 -0.06 0.00 -0.11 0.00 0.00 41.96 41.13 1lti s TYR 12 CO 0.30 0.41 0.47 1.03 -1.11 0.00 0.00 175.55 176.65 1lti s ARG 13 N -3.39 3.68 -1.09 -0.62 0.52 -1.26 -4.29 118.95 112.51 1lti s ARG 13 Ca 0.22 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 1lti s ARG 13 Cb -0.03 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1lti s ARG 13 CO 0.08 0.36 0.00 0.09 0.02 0.00 0.00 175.30 175.85 1lti n ASN 14 N -0.22 -4.25 -4.95 0.23 4.13 -1.26 -4.99 115.26 103.95 1lti n ASN 14 Ca -0.01 0.25 -0.22 0.00 1.68 0.00 0.00 54.58 56.29 1lti n ASN 14 Cb 0.52 -2.65 0.01 0.00 -1.54 0.00 0.00 39.78 36.12 1lti n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1lti s THR 15 N -2.37 2.26 -0.29 3.41 -4.23 -1.26 -0.81 115.64 112.34 1lti s THR 15 Ca 0.00 -1.24 -0.26 0.00 -1.18 0.00 0.00 61.69 59.01 1lti s THR 15 Cb 0.00 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.52 1lti s THR 15 CO 0.00 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.47 1lti s GLN 16 N -4.36 0.11 0.05 3.99 -2.07 0.03 -4.77 119.66 112.65 1lti s GLN 16 Ca 0.49 0.11 -0.25 0.00 -1.82 0.00 0.00 55.36 53.89 1lti s GLN 16 Cb -0.04 0.05 -0.05 0.00 -1.09 0.00 0.00 33.01 31.87 1lti s GLN 16 CO 0.30 -0.02 0.78 0.42 -1.32 0.00 0.00 175.29 175.45 1lti s ILE 17 N -0.09 4.71 -0.11 3.63 -1.09 -1.26 -1.34 121.20 125.65 1lti s ILE 17 Ca 0.07 1.66 0.03 0.00 -2.23 0.00 0.00 60.65 60.19 1lti s ILE 17 Cb -0.04 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1lti s ILE 17 CO -0.14 0.36 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.41 1lti s TYR 18 N -0.04 2.47 -0.33 3.97 1.51 -0.34 -4.96 117.35 119.64 1lti s TYR 18 Ca 0.39 -1.12 -0.18 0.00 -1.01 0.00 0.00 57.07 55.16 1lti s TYR 18 Cb -0.21 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1lti s TYR 18 CO 0.23 -0.49 0.49 0.99 -1.11 0.00 0.00 175.55 175.67 1lti s THR 19 N 0.60 5.05 -0.24 -0.71 2.01 -1.26 -1.20 115.64 119.89 1lti s THR 19 Ca -0.13 0.43 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 1lti s THR 19 Cb -0.17 -3.91 -0.14 0.00 0.01 0.00 0.00 72.50 68.29 1lti s THR 19 CO 0.04 -0.13 -0.12 -0.38 -0.69 0.00 0.00 174.62 173.34 1lti n ILE 20 N 5.35 1.52 -4.06 1.82 2.08 0.11 -4.98 119.36 121.20 1lti n ILE 20 Ca -0.05 -0.17 -0.27 0.00 0.56 0.00 0.00 62.75 62.81 1lti n ILE 20 Cb 0.49 -2.01 -0.04 0.00 -0.75 0.00 0.00 39.64 37.33 1lti n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lti n ASN 21 N -4.36 -0.04 -3.58 4.38 5.15 0.11 -4.95 115.26 111.97 1lti n ASN 21 Ca -0.40 -1.08 -0.11 0.00 -0.60 0.00 0.00 54.58 52.39 1lti n ASN 21 Cb 0.75 -2.66 -0.03 0.00 -0.53 0.00 0.00 39.78 37.30 1lti n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lti s ASP 22 N -4.35 -0.38 0.75 1.20 2.15 -0.95 -4.90 116.67 110.18 1lti s ASP 22 Ca 0.02 -0.24 -0.10 0.00 0.43 0.00 0.00 52.55 52.67 1lti s ASP 22 Cb -0.01 0.57 0.06 0.00 -0.30 0.00 0.00 42.92 43.23 1lti s ASP 22 CO 0.92 -0.98 1.09 -1.59 -0.17 0.00 0.00 175.17 174.44 1lti s LYS 23 N -3.80 2.21 0.19 4.34 -2.85 -1.26 -0.62 119.74 117.95 1lti s LYS 23 Ca 0.04 0.01 -0.29 0.00 -1.00 0.00 0.00 55.97 54.72 1lti s LYS 23 Cb -0.00 -2.06 -0.08 0.00 -2.06 0.00 0.00 37.83 33.63 1lti s LYS 23 CO -0.09 -1.35 0.93 0.42 0.10 0.00 0.00 175.35 175.36 1lti s ILE 24 N -3.40 4.22 -0.16 3.79 1.01 -1.26 -4.76 121.20 120.65 1lti s ILE 24 Ca 0.60 2.04 -0.22 0.00 0.00 0.00 0.00 60.65 63.07 1lti s ILE 24 Cb -0.11 -4.31 -0.19 0.00 0.01 0.00 0.00 42.46 37.86 1lti s ILE 24 CO 0.47 0.45 0.44 0.25 0.00 0.00 0.00 174.94 176.56 1lti h LEU 25 N 4.57 0.00 -8.27 2.97 5.85 -1.49 -3.48 115.31 115.47 1lti h LEU 25 Ca -0.45 -0.66 -0.26 0.00 0.84 0.00 0.00 57.88 57.35 1lti h LEU 25 Cb 1.20 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.04 1lti h LEU 25 CO 0.69 1.09 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.21 1lti s SER 26 N -6.32 0.97 -0.06 1.25 1.04 -1.20 -5.00 113.70 104.38 1lti s SER 26 Ca -0.20 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.56 1lti s SER 26 Cb 0.01 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1lti s SER 26 CO 0.55 -0.29 -0.16 -0.47 0.98 0.00 0.00 173.24 173.85 1lti s TYR 27 N -2.14 1.73 -0.04 5.02 5.04 -1.26 -2.52 117.35 123.18 1lti s TYR 27 Ca -0.02 -0.60 0.03 0.00 -2.44 0.00 0.00 57.07 54.04 1lti s TYR 27 Cb -0.05 -1.20 0.00 0.00 0.35 0.00 0.00 41.96 41.06 1lti s TYR 27 CO -0.01 -0.25 -0.11 0.99 -1.34 0.00 0.00 175.55 174.82 1lti s THR 28 N 0.34 0.99 0.03 4.34 2.01 0.09 -5.00 115.64 118.45 1lti s THR 28 Ca -0.11 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1lti s THR 28 Cb -0.14 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1lti s THR 28 CO 0.04 0.31 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.47 1lti s GLU 29 N 0.29 0.69 -0.02 4.92 2.12 -1.26 -0.86 118.70 124.58 1lti s GLU 29 Ca -0.06 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 1lti s GLU 29 Cb -0.11 -0.63 0.01 0.00 0.26 0.00 0.00 34.13 33.67 1lti s GLU 29 CO 0.01 0.15 0.05 0.45 -0.54 0.00 0.00 175.26 175.39 1lti s SER 30 N -0.93 -0.03 -0.09 -1.70 0.15 -0.71 -5.00 113.70 105.39 1lti s SER 30 Ca -0.01 0.09 0.12 0.00 0.70 0.00 0.00 55.95 56.85 1lti s SER 30 Cb -0.07 0.06 0.27 0.00 -1.71 0.00 0.00 66.02 64.58 1lti s SER 30 CO 0.01 -0.05 1.19 1.15 1.20 0.00 0.00 173.24 176.74 1lti n MET 31 N 3.39 2.36 -2.36 5.44 0.00 -1.26 -2.63 117.12 122.07 1lti n MET 31 Ca -0.17 -2.27 -0.41 0.00 0.00 0.00 0.00 57.70 54.85 1lti n MET 31 Cb 0.57 -1.41 -0.03 0.00 0.00 0.00 0.00 33.22 32.35 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 -2.07 3.45 -0.12 3.17 0.00 -1.26 -4.81 121.76 120.11 1lti s ALA 32 Ca 0.25 0.97 -0.40 0.00 0.00 0.00 0.00 51.96 52.77 1lti s ALA 32 Cb 0.20 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.71 1lti s ALA 32 CO 0.06 -0.40 1.38 0.41 0.00 0.00 0.00 175.76 177.21 1lti n GLY 33 N 2.26 0.25 3.46 0.00 0.00 -1.26 0.07 105.19 109.98 1lti n GLY 33 Ca 0.05 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 3.02 0.00 -1.40 1.61 4.76 -1.26 -4.78 118.16 120.10 1lti n LYS 34 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1lti n LYS 34 Cb 0.10 -3.23 0.10 0.00 -1.84 0.00 0.00 35.03 30.15 1lti n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1lti n ARG 35 N -2.00 1.38 -2.43 1.97 5.12 0.11 -4.96 116.66 115.85 1lti n ARG 35 Ca 0.00 -3.03 -0.40 0.00 -1.93 0.00 0.00 57.85 52.50 1lti n ARG 35 Cb 0.00 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 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 -2.28 3.10 0.36 5.56 8.01 -1.09 -4.27 118.70 128.07 1lti s GLU 36 Ca 0.37 -0.17 -0.17 0.00 0.01 0.00 0.00 54.97 55.01 1lti s GLU 36 Cb 0.38 -4.39 0.05 0.00 -4.31 0.00 0.00 34.13 25.85 1lti s GLU 36 CO -0.08 -2.32 0.77 0.00 0.01 0.00 0.00 175.26 173.63 1lti s MET 37 N 5.97 2.11 0.07 1.61 0.23 -1.08 -4.27 119.30 123.93 1lti s MET 37 Ca 0.44 -1.31 0.06 0.00 -1.03 0.00 0.00 55.69 53.86 1lti s MET 37 Cb -0.08 0.62 -0.03 0.00 -1.53 0.00 0.00 34.83 33.81 1lti s MET 37 CO 0.13 -0.98 -0.17 0.08 -2.03 0.00 0.00 175.02 172.04 1lti s VAL 38 N -2.77 1.37 -0.03 5.16 1.01 -1.22 -1.75 120.40 122.17 1lti s VAL 38 Ca 0.14 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1lti s VAL 38 Cb -0.05 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1lti s VAL 38 CO 0.10 -0.04 -0.00 -0.63 0.00 0.00 0.00 175.10 174.53 1lti s ILE 39 N -1.04 0.18 0.15 2.22 1.01 -0.04 -1.70 121.20 121.99 1lti s ILE 39 Ca 0.03 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.81 1lti s ILE 39 Cb -0.09 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 1lti s ILE 39 CO 0.02 0.13 -0.17 0.27 0.00 0.00 0.00 174.94 175.20 1lti s ILE 40 N 0.85 1.66 0.08 2.92 -4.36 0.28 -0.73 121.20 121.90 1lti s ILE 40 Ca -0.09 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1lti s ILE 40 Cb -0.12 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 1lti s ILE 40 CO -0.01 -0.36 -0.00 0.42 0.24 0.00 0.00 174.94 175.23 1lti s THR 41 N -2.12 0.19 0.26 8.37 -4.23 -1.05 -0.91 115.64 116.16 1lti s THR 41 Ca 0.14 -1.85 0.11 0.00 -1.18 0.00 0.00 61.69 58.91 1lti s THR 41 Cb -0.05 -1.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 1lti s THR 41 CO 0.05 -0.80 -0.19 -0.36 -0.54 0.00 0.00 174.62 172.78 1lti s PHE 42 N -3.96 2.19 -0.80 3.99 0.08 0.06 -1.17 117.98 118.37 1lti s PHE 42 Ca 0.13 -0.37 0.13 0.00 0.12 0.00 0.00 56.93 56.94 1lti s PHE 42 Cb 0.08 -0.96 0.57 0.00 -0.57 0.00 0.00 43.02 42.14 1lti s PHE 42 CO -0.06 0.65 1.40 0.36 -0.10 0.00 0.00 175.22 177.47 1lti n LYS 43 N -0.56 0.05 0.00 0.44 2.85 -1.26 -0.37 118.16 119.32 1lti n LYS 43 Ca -0.06 0.41 0.13 0.00 -1.05 0.00 0.00 58.31 57.74 1lti n LYS 43 Cb 0.60 -1.63 0.68 0.00 -0.65 0.00 0.00 35.03 34.03 1lti n LYS 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1lti n SER 44 N -1.73 0.00 0.00 -5.58 3.41 -1.26 -4.88 113.62 103.58 1lti n SER 44 Ca 0.02 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1lti n SER 44 Cb 0.11 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.93 1.07 3.78 5.00 0.00 0.50 -5.03 105.19 111.44 1lti n GLY 45 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.44 4.57 -0.06 1.61 2.02 -1.25 -4.85 118.70 120.30 1lti s GLU 46 Ca 0.00 1.38 0.03 0.00 0.02 0.00 0.00 54.97 56.39 1lti s GLU 46 Cb 0.00 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1lti s GLU 46 CO 0.00 0.26 -0.13 0.99 0.02 0.00 0.00 175.26 176.40 1lti s THR 47 N -1.57 1.14 0.11 3.63 2.01 -1.26 -0.76 115.64 118.94 1lti s THR 47 Ca 0.50 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1lti s THR 47 Cb -0.20 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1lti s THR 47 CO 0.25 0.35 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.08 1lti s PHE 48 N 0.52 1.10 0.14 4.92 0.08 -0.09 -3.94 117.98 120.70 1lti s PHE 48 Ca -0.12 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.24 1lti s PHE 48 Cb -0.14 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1lti s PHE 48 CO 0.03 0.00 -0.05 1.14 -0.10 0.00 0.00 175.22 176.24 1lti s GLN 49 N -3.22 1.00 -0.31 0.44 -2.07 -0.78 -0.56 119.66 114.16 1lti s GLN 49 Ca 0.10 -1.44 -0.07 0.00 -1.82 0.00 0.00 55.36 52.13 1lti s GLN 49 Cb -0.00 -0.35 0.02 0.00 -1.09 0.00 0.00 33.01 31.58 1lti s GLN 49 CO -0.01 -0.03 0.08 0.08 -1.32 0.00 0.00 175.29 174.10 1lti s VAL 50 N -3.54 3.90 0.80 3.63 1.01 -0.69 -1.29 120.40 124.22 1lti s VAL 50 Ca 0.17 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1lti s VAL 50 Cb 0.05 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.43 1lti s VAL 50 CO -0.00 0.01 1.12 -0.62 0.00 0.00 0.00 175.10 175.61 1lti n GLU 51 N 4.85 0.22 -2.25 2.72 1.02 -1.26 -3.40 120.64 122.54 1lti n GLU 51 Ca -0.14 0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 1lti n GLU 51 Cb 0.47 -2.37 -0.03 0.00 -0.02 0.00 0.00 31.44 29.49 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 -2.08 3.09 0.21 2.62 1.01 -1.26 -4.90 120.40 119.09 1lti s VAL 52 Ca 0.73 1.03 -0.32 0.00 0.00 0.00 0.00 61.98 63.41 1lti s VAL 52 Cb -0.30 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 1lti s VAL 52 CO 0.52 0.22 1.47 -2.65 0.00 0.00 0.00 175.10 174.65 1lti n PRO 53 N 1.48 2.07 -0.87 2.72 -0.02 -1.26 -4.95 135.00 134.16 1lti n PRO 53 Ca 0.02 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1lti n PRO 53 Cb 0.43 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.59 3.96 0.00 -1.23 0.00 -1.26 -5.03 105.19 104.22 1lti n GLY 54 Ca 0.13 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.23 0.00 -0.18 1.61 3.41 -1.26 -2.06 113.62 113.91 1lti n SER 55 Ca 0.00 -0.17 0.14 0.00 -0.26 0.00 0.00 58.87 58.58 1lti n SER 55 Cb 0.00 -0.27 0.50 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.27 0.75 -4.05 4.33 0.00 -1.26 -4.82 117.38 111.05 1lti n GLN 56 Ca 0.14 -0.35 -0.35 0.00 0.00 0.00 0.00 57.00 56.44 1lti n GLN 56 Cb 0.23 -1.49 -0.09 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 -2.49 3.27 0.36 2.61 3.76 -0.88 -5.11 115.29 116.81 1lti s HIS 57 Ca 0.26 0.13 -0.08 0.00 -0.15 0.00 0.00 55.06 55.22 1lti s HIS 57 Cb 0.20 -2.02 -0.06 0.00 1.11 0.00 0.00 32.58 31.81 1lti s HIS 57 CO 0.50 0.25 0.67 0.96 -0.85 0.00 0.00 174.74 176.27 1lti s ILE 58 N 0.06 4.90 0.35 0.60 -4.36 -1.26 -4.88 121.20 116.59 1lti s ILE 58 Ca 0.05 0.35 0.13 0.00 -0.26 0.00 0.00 60.65 60.92 1lti s ILE 58 Cb -0.12 -3.74 0.34 0.00 1.25 0.00 0.00 42.46 40.19 1lti s ILE 58 CO 0.01 -0.45 1.74 0.44 0.24 0.00 0.00 174.94 176.92 1lti h ASP 59 N 1.40 0.59 0.62 4.36 3.32 -1.99 0.98 116.42 125.70 1lti h ASP 59 Ca -0.47 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 1lti h ASP 59 Cb 1.19 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1lti h ASP 59 CO 0.65 0.08 -0.00 0.77 -1.72 0.00 0.00 179.24 179.01 1lti h SER 60 N 0.50 0.00 1.32 6.45 4.64 -2.04 -2.02 113.55 122.40 1lti h SER 60 Ca 0.64 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.86 1lti h SER 60 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 1lti h SER 60 CO -0.42 0.00 -0.45 1.56 -0.87 0.00 0.00 176.83 176.65 1lti h GLN 61 N 0.00 0.00 -0.60 4.77 4.20 -1.18 -3.35 115.11 118.96 1lti h GLN 61 Ca -0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1lti h GLN 61 Cb 0.31 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 1lti h GLN 61 CO 0.00 0.45 0.20 0.87 -0.67 0.00 0.00 178.83 179.68 1lti h LYS 62 N 0.00 0.36 -0.19 1.46 1.79 -1.40 0.11 116.57 118.70 1lti h LYS 62 Ca -0.00 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1lti h LYS 62 Cb 1.23 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 1lti h LYS 62 CO 0.06 0.24 -0.27 1.57 -1.08 0.00 0.00 179.45 179.96 1lti h LYS 63 N 0.37 0.36 -0.23 3.15 2.10 -1.75 -3.06 116.57 117.51 1lti h LYS 63 Ca 0.30 -0.13 -0.16 0.00 -2.00 0.00 0.00 60.65 58.66 1lti h LYS 63 Cb 0.39 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1lti h LYS 63 CO -0.32 0.61 -0.53 0.00 -2.00 0.00 0.00 179.45 177.21 1lti h ALA 64 N 1.40 0.65 -0.32 0.07 0.00 -1.14 -2.28 119.26 117.63 1lti h ALA 64 Ca 0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1lti h ALA 64 Cb 0.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1lti h ALA 64 CO 0.05 0.68 0.18 0.82 0.00 0.00 0.00 179.25 180.98 1lti h ILE 65 N 0.51 1.12 -0.16 0.00 2.04 -0.78 -1.61 117.51 118.63 1lti h ILE 65 Ca 0.02 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1lti h ILE 65 Cb 1.09 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1lti h ILE 65 CO 0.11 0.12 0.02 -0.33 0.00 0.00 0.00 178.15 178.06 1lti h GLU 66 N 0.40 0.08 -0.92 2.37 4.39 -1.45 -2.61 114.58 116.84 1lti h GLU 66 Ca 0.11 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1lti h GLU 66 Cb 0.03 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 1lti h GLU 66 CO -0.02 0.05 0.60 -0.09 -1.16 0.00 0.00 179.01 178.39 1lti h ARG 67 N 0.08 1.16 -0.75 2.33 2.43 -1.24 -2.53 114.38 115.85 1lti h ARG 67 Ca 0.07 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1lti h ARG 67 Cb 0.08 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 1lti h ARG 67 CO -0.11 0.77 0.47 1.98 -1.51 0.00 0.00 179.97 181.57 1lti h MET 68 N 1.19 0.89 -0.30 0.20 4.05 -0.93 -0.65 114.93 119.38 1lti h MET 68 Ca 0.35 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.62 1lti h MET 68 Cb -0.05 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.53 1lti h MET 68 CO -0.10 0.59 -0.24 0.87 0.23 0.00 0.00 176.91 178.26 1lti h LYS 69 N 0.92 0.59 -0.37 0.39 1.57 -1.20 0.20 116.57 118.67 1lti h LYS 69 Ca 0.31 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1lti h LYS 69 Cb 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1lti h LYS 69 CO -0.12 0.78 0.13 -0.44 -0.57 0.00 0.00 179.45 179.23 1lti h ASP 70 N 0.52 0.53 -0.16 0.86 3.32 -0.98 -0.38 116.42 120.12 1lti h ASP 70 Ca 0.07 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1lti h ASP 70 Cb 0.69 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1lti h ASP 70 CO 0.05 0.57 0.07 0.74 -1.72 0.00 0.00 179.24 178.95 1lti h THR 71 N 0.45 1.15 -0.93 0.35 2.02 -0.64 -1.99 112.91 113.32 1lti h THR 71 Ca 0.12 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1lti h THR 71 Cb 0.23 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1lti h THR 71 CO -0.01 0.14 0.61 -0.07 0.37 0.00 0.00 175.52 176.57 1lti h LEU 72 N 0.11 1.03 -0.12 2.58 3.38 -0.45 0.19 115.31 122.01 1lti h LEU 72 Ca 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lti h LEU 72 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1lti h LEU 72 CO -0.00 0.72 0.06 -0.09 0.09 0.00 0.00 178.44 179.22 1lti h ARG 73 N 1.20 0.18 -0.02 1.13 2.43 -0.72 -0.51 114.38 118.06 1lti h ARG 73 Ca 0.36 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 1lti h ARG 73 Cb -0.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1lti h ARG 73 CO -0.10 0.22 -0.55 0.97 -1.51 0.00 0.00 179.97 179.00 1lti h ILE 74 N 0.09 1.39 -0.56 1.20 6.09 -1.03 -2.53 117.51 122.16 1lti h ILE 74 Ca 0.04 -1.90 -0.11 0.00 -1.37 0.00 0.00 64.86 61.53 1lti h ILE 74 Cb 0.10 2.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.37 1lti h ILE 74 CO -0.01 0.55 -0.07 0.74 -3.07 0.00 0.00 178.15 176.29 1lti h THR 75 N 0.04 1.27 -0.14 2.19 2.02 -0.72 -2.23 112.91 115.34 1lti h THR 75 Ca -0.00 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 1lti h THR 75 Cb 0.99 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1lti h THR 75 CO 0.08 0.44 0.06 0.22 0.37 0.00 0.00 175.52 176.68 1lti h TYR 76 N 0.93 0.21 -0.41 3.16 3.20 -0.79 -1.36 116.97 121.92 1lti h TYR 76 Ca 0.15 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1lti h TYR 76 Cb 0.64 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1lti h TYR 76 CO 0.04 0.28 0.04 -0.07 -1.64 0.00 0.00 178.16 176.82 1lti h LEU 77 N 0.08 0.59 0.00 2.82 3.38 -1.35 -2.56 115.31 118.27 1lti h LEU 77 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1lti h LEU 77 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1lti h LEU 77 CO -0.00 0.63 -0.38 0.35 0.09 0.00 0.00 178.44 179.13 1lti n THR 78 N -4.28 0.15 -2.97 0.22 -2.24 -0.85 -4.93 114.28 99.39 1lti n THR 78 Ca 0.02 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1lti n THR 78 Cb 0.24 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.74 -4.37 -2.61 -0.78 1.02 -0.57 -4.98 120.64 106.61 1lti n GLU 79 Ca 0.05 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.46 1lti n GLU 79 Cb 0.37 -5.10 -0.05 0.00 -0.02 0.00 0.00 31.44 26.65 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 -3.08 4.04 -0.03 2.62 2.01 -0.85 -4.79 115.64 115.56 1lti s THR 80 Ca 0.29 1.82 -0.30 0.00 0.31 0.00 0.00 61.69 63.81 1lti s THR 80 Cb -0.13 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1lti s THR 80 CO 0.36 0.34 1.30 -0.54 -0.69 0.00 0.00 174.62 175.39 1lti s LYS 81 N -0.53 4.31 0.07 4.92 1.02 -1.26 -4.43 119.74 123.85 1lti s LYS 81 Ca 0.47 1.82 -0.25 0.00 0.02 0.00 0.00 55.97 58.03 1lti s LYS 81 Cb -0.27 -3.57 -0.06 0.00 -0.52 0.00 0.00 37.83 33.41 1lti s LYS 81 CO 0.34 -0.52 0.77 0.42 -0.92 0.00 0.00 175.35 175.44 1lti s ILE 82 N 2.33 4.65 -0.03 2.17 1.01 0.21 -4.24 121.20 127.31 1lti s ILE 82 Ca 0.60 1.65 -0.02 0.00 0.00 0.00 0.00 60.65 62.89 1lti s ILE 82 Cb -0.28 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1lti s ILE 82 CO 0.24 0.40 -0.03 -0.78 0.00 0.00 0.00 174.94 174.76 1lti h ASP 83 N 5.39 0.00 -3.94 3.58 3.58 -0.85 0.44 116.42 124.63 1lti h ASP 83 Ca -0.45 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.66 1lti h ASP 83 Cb 1.21 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.11 1lti h ASP 83 CO 0.70 0.18 -0.70 -0.54 -2.88 0.00 0.00 179.24 176.00 1lti s LYS 84 N -1.27 1.15 -0.02 0.28 1.02 -1.22 0.07 119.74 119.76 1lti s LYS 84 Ca -0.03 -1.52 0.03 0.00 0.02 0.00 0.00 55.97 54.47 1lti s LYS 84 Cb 0.00 -0.62 -0.00 0.00 -0.52 0.00 0.00 37.83 36.69 1lti s LYS 84 CO 0.04 0.02 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.87 1lti s LEU 85 N -3.21 1.92 -0.19 3.17 1.43 -0.34 -1.91 118.68 119.55 1lti s LEU 85 Ca 0.20 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1lti s LEU 85 Cb 0.03 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 1lti s LEU 85 CO 0.03 0.11 0.04 0.00 0.23 0.00 0.00 176.35 176.76 1lti s VAL 87 N 0.63 0.09 -0.26 0.00 -7.23 -0.45 -0.58 120.40 112.61 1lti s VAL 87 Ca 0.02 -0.76 -0.26 0.00 -1.81 0.00 0.00 61.98 59.17 1lti s VAL 87 Cb -0.13 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.56 1lti s VAL 87 CO 0.02 -0.42 0.91 0.26 -0.31 0.00 0.00 175.10 175.56 1lti s TRP 88 N -1.24 3.29 -2.17 2.82 0.51 -0.28 -0.79 118.94 121.07 1lti s TRP 88 Ca -0.14 1.20 0.19 0.00 -2.12 0.00 0.00 56.10 55.23 1lti s TRP 88 Cb -0.08 -3.21 0.82 0.00 -0.81 0.00 0.00 33.47 30.19 1lti s TRP 88 CO -0.01 -0.49 1.57 0.27 -0.51 0.00 0.00 176.95 177.79 1lti n ASN 89 N 6.22 1.10 -1.51 2.95 0.23 0.01 -2.17 115.26 122.09 1lti n ASN 89 Ca 0.08 -1.64 0.03 0.00 -0.53 0.00 0.00 54.58 52.52 1lti n ASN 89 Cb 0.47 -0.07 0.27 0.00 -2.08 0.00 0.00 39.78 38.37 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 -0.04 4.25 -4.20 0.53 6.94 -1.26 -4.87 115.26 116.61 1lti n ASN 90 Ca 0.15 -2.70 -0.14 0.00 -0.02 0.00 0.00 54.58 51.88 1lti n ASN 90 Cb 0.24 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 36.91 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 -2.24 0.90 -0.17 -3.83 -0.14 -1.25 -5.07 119.74 107.93 1lti s LYS 91 Ca 0.38 -1.28 -0.03 0.00 -1.36 0.00 0.00 55.97 53.69 1lti s LYS 91 Cb 0.30 -0.49 0.05 0.00 -1.68 0.00 0.00 37.83 36.01 1lti s LYS 91 CO 0.11 0.06 0.04 0.99 -0.76 0.00 0.00 175.35 175.79 1lti s THR 92 N -2.94 0.39 0.94 2.17 2.01 -1.26 -2.98 115.64 113.97 1lti s THR 92 Ca 0.10 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 1lti s THR 92 Cb 0.00 -0.87 0.16 0.00 0.01 0.00 0.00 72.50 71.80 1lti s THR 92 CO -0.01 -0.15 1.09 -2.84 -0.69 0.00 0.00 174.62 172.02 1lti s PRO 93 N 1.93 0.88 0.47 4.92 0.02 -1.26 -5.06 135.00 136.90 1lti s PRO 93 Ca 0.00 0.71 -0.25 0.00 0.02 0.00 0.00 61.00 61.48 1lti s PRO 93 Cb -0.16 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1lti s PRO 93 CO -0.08 -2.47 1.43 -0.80 -0.33 0.00 0.00 177.00 174.76 1lti s ASN 94 N -3.41 5.75 -0.16 2.53 0.02 -1.16 -4.61 114.94 113.90 1lti s ASN 94 Ca 0.64 2.93 -0.19 0.00 -1.02 0.00 0.00 52.86 55.23 1lti s ASN 94 Cb -0.18 -2.65 -0.04 0.00 0.02 0.00 0.00 41.25 38.40 1lti s ASN 94 CO 0.57 -1.26 0.51 -0.55 0.02 0.00 0.00 177.10 176.39 1lti s SER 95 N -0.53 6.64 0.02 -1.22 0.15 -0.92 -1.86 113.70 115.98 1lti s SER 95 Ca 0.63 0.76 -0.30 0.00 0.70 0.00 0.00 55.95 57.74 1lti s SER 95 Cb -0.44 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 1lti s SER 95 CO 0.56 -0.10 1.29 -0.63 1.20 0.00 0.00 173.24 175.56 1lti s ILE 96 N 1.15 3.89 -0.14 6.45 1.01 -0.41 -1.13 121.20 132.02 1lti s ILE 96 Ca 0.26 1.30 0.12 0.00 0.00 0.00 0.00 60.65 62.33 1lti s ILE 96 Cb -0.15 -3.84 -0.17 0.00 0.01 0.00 0.00 42.46 38.31 1lti s ILE 96 CO 0.10 0.04 0.05 0.00 0.00 0.00 0.00 174.94 175.13 1lti n ALA 97 N 4.70 1.66 -3.54 9.38 0.00 0.26 -4.87 120.51 128.10 1lti n ALA 97 Ca 0.11 -0.92 -0.09 0.00 0.00 0.00 0.00 53.44 52.54 1lti n ALA 97 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.34 -1.66 0.04 0.00 0.00 -1.10 -4.97 121.76 111.72 1lti s ALA 98 Ca -0.07 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1lti s ALA 98 Cb 0.04 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1lti s ALA 98 CO 0.57 -0.79 0.00 -1.50 0.00 0.00 0.00 175.76 174.04 1lti s ILE 99 N -3.45 0.16 -0.01 0.00 2.07 -1.26 -1.62 121.20 117.09 1lti s ILE 99 Ca 0.05 -1.29 -0.04 0.00 -1.41 0.00 0.00 60.65 57.95 1lti s ILE 99 Cb -0.02 -0.90 -0.00 0.00 0.13 0.00 0.00 42.46 41.67 1lti s ILE 99 CO -0.08 -0.71 0.09 -0.94 -1.91 0.00 0.00 174.94 171.39 1lti s SER 100 N -2.18 0.02 0.06 4.50 1.04 -0.80 -4.99 113.70 111.34 1lti s SER 100 Ca -0.04 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.32 1lti s SER 100 Cb -0.01 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 1lti s SER 100 CO -0.05 -0.22 -0.14 -0.04 0.98 0.00 0.00 173.24 173.77 1lti s MET 101 N -0.83 0.84 -0.02 4.02 -1.94 -1.26 -0.15 119.30 119.96 1lti s MET 101 Ca -0.09 -0.85 -0.02 0.00 -1.71 0.00 0.00 55.69 53.02 1lti s MET 101 Cb -0.05 -0.84 0.01 0.00 2.01 0.00 0.00 34.83 35.95 1lti s MET 101 CO 0.00 0.19 0.06 0.21 -0.01 0.00 0.00 175.02 175.48 1lti s LYS 102 N -1.45 0.07 0.00 2.03 2.20 -1.26 -4.92 119.74 116.41 1lti s LYS 102 Ca -0.01 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1lti s LYS 102 Cb -0.09 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1lti s LYS 102 CO 0.02 -0.01 0.00 0.09 -0.36 0.00 0.00 175.35 175.09