#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 0.03 -0.05 0.00 -0.02 -1.26 -4.93 135.00 128.76 1lti n PRO 2 Ca 0.00 0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1lti n PRO 2 Cb 0.00 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.15 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 -3.36 1.91 -3.59 -0.52 6.02 -1.26 -5.00 117.38 111.58 1lti n GLN 3 Ca 0.13 -1.45 -0.16 0.00 -0.01 0.00 0.00 57.00 55.51 1lti n GLN 3 Cb 0.51 -1.11 -0.06 0.00 1.02 0.00 0.00 30.24 30.59 1lti n GLN 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1lti s THR 4 N -0.82 0.02 0.26 5.09 2.01 -1.26 -5.04 115.64 115.90 1lti s THR 4 Ca 0.09 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 1lti s THR 4 Cb 0.05 -0.90 0.22 0.00 0.01 0.00 0.00 72.50 71.88 1lti s THR 4 CO 0.07 -0.10 1.89 -0.29 -0.69 0.00 0.00 174.62 175.50 1lti h ILE 5 N 3.14 1.24 0.05 1.82 2.10 -1.97 0.07 117.51 123.96 1lti h ILE 5 Ca -0.29 -0.57 -0.00 0.00 1.08 0.00 0.00 64.86 65.08 1lti h ILE 5 Cb 1.17 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1lti h ILE 5 CO 0.40 0.27 -0.02 0.74 -1.08 0.00 0.00 178.15 178.45 1lti h THR 6 N 1.19 1.04 -0.87 2.19 2.02 -1.99 0.36 112.91 116.85 1lti h THR 6 Ca 0.30 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1lti h THR 6 Cb -0.01 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1lti h THR 6 CO -0.05 0.07 0.57 -0.08 0.37 0.00 0.00 175.52 176.40 1lti h GLU 7 N -0.18 1.12 -0.28 6.66 4.81 -1.90 -1.54 114.58 123.27 1lti h GLU 7 Ca -0.01 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1lti h GLU 7 Cb 0.16 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1lti h GLU 7 CO 0.01 0.74 0.03 1.25 -0.73 0.00 0.00 179.01 180.31 1lti h LEU 8 N 1.15 0.46 -1.00 1.64 6.46 -0.83 -3.17 115.31 120.02 1lti h LEU 8 Ca 0.33 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1lti h LEU 8 Cb -0.09 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.67 1lti h LEU 8 CO -0.08 0.63 0.62 0.00 -0.62 0.00 0.00 178.44 178.98 1lti n SER 10 N -4.37 0.36 0.02 0.00 3.41 -0.62 -1.81 113.62 110.61 1lti n SER 10 Ca 0.11 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1lti n SER 10 Cb 0.03 -0.68 0.55 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.92 0.04 -4.23 4.33 1.02 -0.78 -4.84 120.64 114.26 1lti n GLU 11 Ca 0.02 0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 57.00 1lti n GLU 11 Cb 0.15 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.02 2.83 0.29 -0.32 1.51 -0.75 -5.13 117.35 112.77 1lti s TYR 12 Ca 0.12 -0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1lti s TYR 12 Cb 0.17 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 1lti s TYR 12 CO 0.50 0.58 0.55 1.03 -1.11 0.00 0.00 175.55 177.10 1lti s ARG 13 N -3.65 3.61 -1.73 -0.62 0.52 -1.26 -4.34 118.95 111.48 1lti s ARG 13 Ca 0.31 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 1lti s ARG 13 Cb -0.07 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1lti s ARG 13 CO 0.21 0.21 0.00 0.09 0.02 0.00 0.00 175.30 175.84 1lti n ASN 14 N -1.03 -5.28 -4.91 0.23 4.13 -1.26 -4.95 115.26 102.19 1lti n ASN 14 Ca -0.02 0.17 -0.20 0.00 1.68 0.00 0.00 54.58 56.21 1lti n ASN 14 Cb 0.54 -4.50 -0.02 0.00 -1.54 0.00 0.00 39.78 34.26 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 -2.83 2.86 -0.28 3.41 -4.23 -1.26 -0.58 115.64 112.73 1lti s THR 15 Ca 0.00 -1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 59.03 1lti s THR 15 Cb 0.00 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 70.91 1lti s THR 15 CO 0.00 -0.02 0.89 -1.58 -0.54 0.00 0.00 174.62 173.37 1lti s GLN 16 N -4.18 0.63 -0.03 3.99 0.74 0.15 -4.80 119.66 116.17 1lti s GLN 16 Ca 0.49 0.79 -0.17 0.00 0.05 0.00 0.00 55.36 56.53 1lti s GLN 16 Cb -0.05 0.29 -0.05 0.00 1.10 0.00 0.00 33.01 34.29 1lti s GLN 16 CO 0.29 -0.08 0.45 0.42 -0.55 0.00 0.00 175.29 175.82 1lti s ILE 17 N 0.45 5.04 -0.09 -2.34 -1.09 -1.26 -0.80 121.20 121.11 1lti s ILE 17 Ca 0.00 0.93 0.04 0.00 -2.23 0.00 0.00 60.65 59.40 1lti s ILE 17 Cb -0.05 -3.77 -0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1lti s ILE 17 CO -0.05 0.49 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.60 1lti s TYR 18 N -0.47 2.54 -0.38 3.97 1.51 -0.25 -4.99 117.35 119.29 1lti s TYR 18 Ca 0.25 -0.94 -0.14 0.00 -1.01 0.00 0.00 57.07 55.24 1lti s TYR 18 Cb -0.17 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1lti s TYR 18 CO 0.13 -0.35 0.27 0.99 -1.11 0.00 0.00 175.55 175.48 1lti s THR 19 N 0.20 5.23 -0.19 -0.71 2.01 -1.26 -1.31 115.64 119.60 1lti s THR 19 Ca -0.14 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 1lti s THR 19 Cb -0.17 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 1lti s THR 19 CO 0.07 -0.17 -0.23 -0.38 -0.69 0.00 0.00 174.62 173.23 1lti n ILE 20 N 5.13 1.49 -3.72 1.82 2.08 0.12 -5.00 119.36 121.28 1lti n ILE 20 Ca -0.12 0.04 -0.23 0.00 0.56 0.00 0.00 62.75 63.00 1lti n ILE 20 Cb 0.48 -2.23 0.04 0.00 -0.75 0.00 0.00 39.64 37.18 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 -4.46 -2.21 -3.67 4.38 5.15 0.03 -4.96 115.26 109.52 1lti n ASN 21 Ca -0.23 -0.78 -0.06 0.00 -0.60 0.00 0.00 54.58 52.91 1lti n ASN 21 Cb 0.54 -4.16 -0.02 0.00 -0.53 0.00 0.00 39.78 35.61 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 -4.10 -0.28 0.58 1.20 2.15 -0.69 -4.89 116.67 110.64 1lti s ASP 22 Ca 0.16 -0.29 -0.07 0.00 0.43 0.00 0.00 52.55 52.78 1lti s ASP 22 Cb -0.08 0.51 -0.01 0.00 -0.30 0.00 0.00 42.92 43.04 1lti s ASP 22 CO 0.80 -0.90 0.91 -1.59 -0.17 0.00 0.00 175.17 174.23 1lti s LYS 23 N -3.38 3.19 0.34 4.34 -2.85 -1.26 -0.11 119.74 120.01 1lti s LYS 23 Ca 0.09 0.23 -0.28 0.00 -1.00 0.00 0.00 55.97 55.01 1lti s LYS 23 Cb -0.02 -2.24 -0.10 0.00 -2.06 0.00 0.00 37.83 33.42 1lti s LYS 23 CO -0.01 -0.58 1.21 0.42 0.10 0.00 0.00 175.35 176.48 1lti s ILE 24 N -3.00 3.05 -0.17 3.79 1.01 -1.26 -4.67 121.20 119.96 1lti s ILE 24 Ca 0.53 1.01 -0.18 0.00 0.00 0.00 0.00 60.65 62.00 1lti s ILE 24 Cb -0.11 -3.62 -0.22 0.00 0.01 0.00 0.00 42.46 38.52 1lti s ILE 24 CO 0.47 0.20 0.33 0.25 0.00 0.00 0.00 174.94 176.19 1lti h LEU 25 N 3.27 0.15 -8.14 2.97 5.85 -0.71 -3.49 115.31 115.21 1lti h LEU 25 Ca -0.48 -0.68 -0.16 0.00 0.84 0.00 0.00 57.88 57.39 1lti h LEU 25 Cb 1.23 -0.05 -0.18 0.00 0.37 0.00 0.00 40.66 42.03 1lti h LEU 25 CO 0.65 1.57 -0.69 -0.94 -0.34 0.00 0.00 178.44 178.68 1lti s SER 26 N -6.90 0.46 -0.07 1.25 1.04 -1.11 -5.00 113.70 103.39 1lti s SER 26 Ca -0.25 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.42 1lti s SER 26 Cb 0.05 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1lti s SER 26 CO 0.66 -0.44 -0.08 -0.47 0.98 0.00 0.00 173.24 173.89 1lti s TYR 27 N -2.72 1.19 -0.08 5.02 6.14 -1.26 -2.75 117.35 122.89 1lti s TYR 27 Ca -0.03 -0.45 0.04 0.00 0.64 0.00 0.00 57.07 57.27 1lti s TYR 27 Cb -0.01 -0.95 0.00 0.00 0.42 0.00 0.00 41.96 41.42 1lti s TYR 27 CO -0.05 -0.29 -0.21 0.99 0.64 0.00 0.00 175.55 176.63 1lti s THR 28 N 1.00 1.79 -0.03 4.34 2.01 -0.10 -4.99 115.64 119.66 1lti s THR 28 Ca -0.09 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.08 1lti s THR 28 Cb -0.15 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 1lti s THR 28 CO -0.00 0.50 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.57 1lti s GLU 29 N 0.36 1.57 -0.00 4.92 2.12 -1.26 -1.34 118.70 125.07 1lti s GLU 29 Ca -0.16 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.65 1lti s GLU 29 Cb -0.17 -1.40 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 1lti s GLU 29 CO 0.07 0.25 -0.14 0.45 -0.54 0.00 0.00 175.26 175.35 1lti s SER 30 N -0.04 1.66 -0.01 -1.70 0.15 0.02 -4.99 113.70 108.79 1lti s SER 30 Ca -0.01 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.39 1lti s SER 30 Cb -0.10 -0.17 0.12 0.00 -1.71 0.00 0.00 66.02 64.16 1lti s SER 30 CO 0.01 0.15 1.10 1.15 1.20 0.00 0.00 173.24 176.85 1lti n MET 31 N 2.57 2.91 -2.08 5.44 0.00 -1.26 -2.03 117.12 122.67 1lti n MET 31 Ca -0.15 -1.73 -0.41 0.00 0.00 0.00 0.00 57.70 55.41 1lti n MET 31 Cb 0.55 -1.12 -0.02 0.00 0.00 0.00 0.00 33.22 32.63 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 -1.07 3.53 0.10 3.17 0.00 -1.26 -4.80 121.76 121.43 1lti s ALA 32 Ca 0.09 1.29 -0.36 0.00 0.00 0.00 0.00 51.96 52.98 1lti s ALA 32 Cb 0.05 -3.50 -0.17 0.00 0.00 0.00 0.00 23.12 19.50 1lti s ALA 32 CO 0.06 -0.68 1.22 0.41 0.00 0.00 0.00 175.76 176.76 1lti n GLY 33 N 1.20 0.15 2.69 0.00 0.00 -1.26 -0.46 105.19 107.52 1lti n GLY 33 Ca 0.02 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.65 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 2.08 -1.42 -2.26 1.61 5.02 -1.26 -4.79 118.16 117.14 1lti n LYS 34 Ca 0.18 0.52 0.01 0.00 -2.02 0.00 0.00 58.31 57.00 1lti n LYS 34 Cb 0.19 -4.66 0.04 0.00 -0.02 0.00 0.00 35.03 30.58 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 -0.52 1.00 -2.31 1.97 5.12 0.39 -5.02 116.66 117.30 1lti n ARG 35 Ca -0.03 -2.64 -0.39 0.00 -1.93 0.00 0.00 57.85 52.85 1lti n ARG 35 Cb 0.41 -0.75 -0.03 0.00 -1.16 0.00 0.00 32.46 30.92 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 -1.93 2.94 0.26 5.56 8.01 -1.16 -4.34 118.70 128.04 1lti s GLU 36 Ca 0.26 0.08 -0.21 0.00 0.01 0.00 0.00 54.97 55.11 1lti s GLU 36 Cb 0.34 -4.37 0.04 0.00 -4.31 0.00 0.00 34.13 25.83 1lti s GLU 36 CO -0.09 -2.46 0.81 0.00 0.01 0.00 0.00 175.26 173.53 1lti s MET 37 N 6.32 1.70 -0.03 1.61 0.23 -0.86 -4.45 119.30 123.82 1lti s MET 37 Ca 0.51 -0.98 0.05 0.00 -1.03 0.00 0.00 55.69 54.23 1lti s MET 37 Cb -0.10 0.55 -0.01 0.00 -1.53 0.00 0.00 34.83 33.75 1lti s MET 37 CO 0.15 -0.78 -0.18 0.08 -2.03 0.00 0.00 175.02 172.27 1lti s VAL 38 N -3.35 1.44 -0.07 5.16 1.01 -1.25 -0.80 120.40 122.54 1lti s VAL 38 Ca 0.13 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1lti s VAL 38 Cb -0.04 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1lti s VAL 38 CO 0.07 0.41 -0.15 -0.63 0.00 0.00 0.00 175.10 174.80 1lti s ILE 39 N -0.12 1.32 0.14 2.22 1.01 -0.45 -1.34 121.20 123.98 1lti s ILE 39 Ca -0.00 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.14 1lti s ILE 39 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1lti s ILE 39 CO 0.01 0.39 -0.19 0.27 0.00 0.00 0.00 174.94 175.42 1lti s ILE 40 N 0.58 1.80 0.04 2.92 -4.36 0.37 -0.92 121.20 121.61 1lti s ILE 40 Ca -0.15 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1lti s ILE 40 Cb -0.16 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 1lti s ILE 40 CO 0.05 -0.22 -0.04 0.42 0.24 0.00 0.00 174.94 175.38 1lti s THR 41 N -1.73 0.26 0.31 8.37 -4.23 -1.11 -0.68 115.64 116.84 1lti s THR 41 Ca 0.13 -1.20 0.10 0.00 -1.18 0.00 0.00 61.69 59.54 1lti s THR 41 Cb -0.07 -0.68 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 1lti s THR 41 CO 0.06 -0.60 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.15 1lti s PHE 42 N -2.08 2.53 0.39 3.99 0.08 -0.53 0.06 117.98 122.42 1lti s PHE 42 Ca -0.08 -0.37 0.11 0.00 0.12 0.00 0.00 56.93 56.70 1lti s PHE 42 Cb -0.05 -1.34 0.90 0.00 -0.57 0.00 0.00 43.02 41.96 1lti s PHE 42 CO -0.03 0.55 1.92 0.87 -0.10 0.00 0.00 175.22 178.44 1lti h LYS 43 N 1.91 0.57 0.00 0.44 6.56 -1.89 0.09 116.57 124.25 1lti h LYS 43 Ca -0.43 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1lti h LYS 43 Cb 1.25 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1lti h LYS 43 CO 0.64 0.38 0.00 -1.13 -2.06 0.00 0.00 179.45 177.28 1lti n SER 44 N -4.50 0.00 0.00 0.86 3.41 -1.26 -4.87 113.62 107.26 1lti n SER 44 Ca 0.14 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1lti n SER 44 Cb 0.41 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.40 2.27 3.77 5.00 0.00 0.02 -5.07 105.19 110.78 1lti n GLY 45 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.92 4.31 -0.07 1.61 8.01 -1.26 -4.80 118.70 125.59 1lti s GLU 46 Ca 0.00 1.92 0.04 0.00 0.01 0.00 0.00 54.97 56.94 1lti s GLU 46 Cb 0.00 -2.93 -0.00 0.00 -4.31 0.00 0.00 34.13 26.89 1lti s GLU 46 CO 0.00 -0.12 -0.20 0.99 0.01 0.00 0.00 175.26 175.94 1lti s THR 47 N -1.27 1.68 0.10 3.63 2.01 -1.26 -1.45 115.64 119.08 1lti s THR 47 Ca 0.51 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1lti s THR 47 Cb -0.33 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1lti s THR 47 CO 0.43 0.47 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.41 1lti s PHE 48 N 0.23 0.91 0.05 4.92 0.08 0.14 -4.06 117.98 120.25 1lti s PHE 48 Ca -0.11 -0.91 0.02 0.00 0.12 0.00 0.00 56.93 56.05 1lti s PHE 48 Cb -0.15 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 1lti s PHE 48 CO 0.05 -0.14 -0.08 1.14 -0.10 0.00 0.00 175.22 176.09 1lti s GLN 49 N -3.83 0.59 -0.31 0.44 -2.07 -0.66 -0.48 119.66 113.34 1lti s GLN 49 Ca 0.12 -0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 52.68 1lti s GLN 49 Cb 0.05 -0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 31.65 1lti s GLN 49 CO -0.04 0.04 0.20 0.08 -1.32 0.00 0.00 175.29 174.25 1lti s VAL 50 N -1.77 5.10 1.00 3.63 1.01 -0.45 -1.46 120.40 127.46 1lti s VAL 50 Ca -0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1lti s VAL 50 Cb -0.07 -3.55 0.19 0.00 0.00 0.00 0.00 36.38 32.94 1lti s VAL 50 CO -0.00 0.10 1.15 -1.83 0.00 0.00 0.00 175.10 174.51 1lti s GLU 51 N 1.71 0.42 -0.03 2.72 -1.05 -1.26 -3.81 118.70 117.39 1lti s GLU 51 Ca 0.06 0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.71 1lti s GLU 51 Cb -0.17 -1.77 -0.03 0.00 -0.44 0.00 0.00 34.13 31.72 1lti s GLU 51 CO 0.09 -2.66 1.12 0.08 0.95 0.00 0.00 175.26 174.85 1lti s VAL 52 N -3.26 4.43 -0.36 1.83 1.01 -1.26 -4.92 120.40 117.86 1lti s VAL 52 Ca 0.67 1.74 -0.28 0.00 0.00 0.00 0.00 61.98 64.11 1lti s VAL 52 Cb -0.13 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 1lti s VAL 52 CO 0.54 0.05 2.32 -2.65 0.00 0.00 0.00 175.10 175.36 1lti n PRO 53 N 4.69 1.47 -1.99 2.72 -0.02 -1.26 -4.91 135.00 135.71 1lti n PRO 53 Ca 0.09 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1lti n PRO 53 Cb 0.48 -3.26 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 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 5.94 4.20 0.19 -1.23 0.00 -1.26 -4.99 105.19 108.03 1lti n GLY 54 Ca 0.34 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 44.33 1lti n GLY 54 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1lti h SER 55 N 0.00 0.00 -0.08 1.61 0.87 -2.03 0.12 113.55 114.03 1lti h SER 55 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1lti h SER 55 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1lti h SER 55 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1lti n GLN 56 N -2.32 1.34 -4.80 2.24 0.00 -1.26 -4.83 117.38 107.75 1lti n GLN 56 Ca -0.01 -0.51 -0.33 0.00 0.00 0.00 0.00 57.00 56.14 1lti n GLN 56 Cb 0.11 -1.32 -0.13 0.00 0.00 0.00 0.00 30.24 28.91 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 -1.89 2.78 0.49 2.61 3.76 0.41 -5.12 115.29 118.33 1lti s HIS 57 Ca 0.28 -0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 54.99 1lti s HIS 57 Cb 0.14 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 1lti s HIS 57 CO 0.22 0.21 0.82 0.96 -0.85 0.00 0.00 174.74 176.10 1lti s ILE 58 N -0.69 4.85 0.17 0.60 -4.36 -1.26 -4.91 121.20 115.61 1lti s ILE 58 Ca 0.10 0.39 -0.14 0.00 -0.26 0.00 0.00 60.65 60.74 1lti s ILE 58 Cb -0.11 -3.84 0.07 0.00 1.25 0.00 0.00 42.46 39.83 1lti s ILE 58 CO 0.01 -0.83 1.74 0.44 0.24 0.00 0.00 174.94 176.54 1lti h ASP 59 N 0.36 0.10 0.00 4.36 3.32 -1.99 -0.65 116.42 121.92 1lti h ASP 59 Ca -0.47 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1lti h ASP 59 Cb 1.20 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1lti h ASP 59 CO 0.62 0.09 0.01 0.77 -1.72 0.00 0.00 179.24 179.01 1lti h SER 60 N 0.28 0.00 1.33 6.45 4.64 -2.04 -0.77 113.55 123.45 1lti h SER 60 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1lti h SER 60 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1lti h SER 60 CO -0.24 0.00 -0.30 1.56 -0.87 0.00 0.00 176.83 176.98 1lti h GLN 61 N 0.00 0.00 -0.36 4.77 4.20 -1.49 -3.28 115.11 118.95 1lti h GLN 61 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1lti h GLN 61 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1lti h GLN 61 CO 0.00 0.00 -0.05 0.87 -0.67 0.00 0.00 178.83 178.98 1lti h LYS 62 N 0.00 0.67 -0.32 1.46 6.56 -1.13 -0.67 116.57 123.15 1lti h LYS 62 Ca 0.00 -0.24 -0.13 0.00 -1.06 0.00 0.00 60.65 59.21 1lti h LYS 62 Cb 0.81 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.42 1lti h LYS 62 CO 0.00 0.81 -0.35 0.87 -2.06 0.00 0.00 179.45 178.73 1lti h LYS 63 N 0.47 0.71 -0.24 3.15 1.57 -1.72 -2.85 116.57 117.67 1lti h LYS 63 Ca 0.10 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1lti h LYS 63 Cb 0.55 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1lti h LYS 63 CO 0.03 0.95 -0.16 0.00 -0.57 0.00 0.00 179.45 179.70 1lti h ALA 64 N 1.01 1.29 -0.36 3.86 0.00 -1.59 -2.25 119.26 121.23 1lti h ALA 64 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1lti h ALA 64 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1lti h ALA 64 CO 0.08 0.47 0.14 0.82 0.00 0.00 0.00 179.25 180.76 1lti h ILE 65 N 0.37 1.19 -0.72 0.00 2.04 -0.89 -1.16 117.51 118.34 1lti h ILE 65 Ca 0.07 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1lti h ILE 65 Cb 0.50 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1lti h ILE 65 CO 0.03 0.20 0.34 -0.33 0.00 0.00 0.00 178.15 178.40 1lti h GLU 66 N 0.43 1.04 -0.12 2.37 4.39 -1.35 -1.66 114.58 119.67 1lti h GLU 66 Ca 0.12 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1lti h GLU 66 Cb 0.18 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1lti h GLU 66 CO -0.01 0.82 0.07 -0.09 -1.16 0.00 0.00 179.01 178.64 1lti h ARG 67 N 1.01 0.17 -0.49 2.33 2.43 -1.20 -0.77 114.38 117.87 1lti h ARG 67 Ca 0.25 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.46 1lti h ARG 67 Cb 0.12 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1lti h ARG 67 CO -0.03 0.18 0.19 1.98 -1.51 0.00 0.00 179.97 180.77 1lti h MET 68 N 0.12 0.36 -0.23 0.20 4.05 -0.81 0.12 114.93 118.74 1lti h MET 68 Ca 0.04 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1lti h MET 68 Cb 0.05 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1lti h MET 68 CO -0.01 0.24 0.05 0.87 0.23 0.00 0.00 176.91 178.29 1lti h LYS 69 N 0.37 0.33 -0.19 0.39 1.57 -0.96 0.32 116.57 118.40 1lti h LYS 69 Ca 0.23 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1lti h LYS 69 Cb 0.22 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1lti h LYS 69 CO -0.22 0.31 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.43 1lti h ASP 70 N 0.33 0.41 -0.50 0.86 3.32 0.28 -2.33 116.42 118.80 1lti h ASP 70 Ca 0.08 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.73 1lti h ASP 70 Cb 0.14 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1lti h ASP 70 CO -0.00 0.74 0.30 0.74 -1.72 0.00 0.00 179.24 179.30 1lti h THR 71 N 0.09 1.06 -0.87 0.35 2.02 0.07 -2.07 112.91 113.56 1lti h THR 71 Ca 0.04 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1lti h THR 71 Cb 0.59 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1lti h THR 71 CO 0.03 0.11 0.48 -0.07 0.37 0.00 0.00 175.52 176.44 1lti h LEU 72 N 0.59 1.08 0.06 2.58 3.38 -0.89 -1.00 115.31 121.11 1lti h LEU 72 Ca 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1lti h LEU 72 Cb 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1lti h LEU 72 CO -0.09 0.87 -0.03 -0.09 0.09 0.00 0.00 178.44 179.19 1lti h ARG 73 N 1.21 -0.08 -0.32 1.13 2.43 -1.06 -1.70 114.38 116.00 1lti h ARG 73 Ca 0.31 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.36 1lti h ARG 73 Cb 0.02 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1lti h ARG 73 CO -0.05 0.03 -0.28 0.97 -1.51 0.00 0.00 179.97 179.13 1lti h ILE 74 N -0.17 1.28 -0.35 1.20 6.09 -1.20 -2.02 117.51 122.33 1lti h ILE 74 Ca -0.01 -1.39 -0.13 0.00 -1.37 0.00 0.00 64.86 61.96 1lti h ILE 74 Cb 0.15 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 1lti h ILE 74 CO 0.01 0.45 -0.30 0.71 -3.07 0.00 0.00 178.15 175.96 1lti h THR 75 N 0.57 1.28 0.06 2.19 1.35 -1.16 -1.41 112.91 115.78 1lti h THR 75 Ca 0.07 -1.44 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1lti h THR 75 Cb 0.77 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1lti h THR 75 CO 0.06 0.47 -0.03 0.22 -0.25 0.00 0.00 175.52 176.00 1lti h TYR 76 N 0.64 -0.07 -0.57 4.73 3.20 -1.15 -0.79 116.97 122.95 1lti h TYR 76 Ca 0.07 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1lti h TYR 76 Cb 0.82 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1lti h TYR 76 CO 0.04 -0.03 0.37 -0.07 -1.64 0.00 0.00 178.16 176.83 1lti h LEU 77 N -0.09 0.64 -0.12 2.82 3.38 -1.23 -2.21 115.31 118.50 1lti h LEU 77 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lti h LEU 77 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1lti h LEU 77 CO 0.01 0.46 -0.01 0.35 0.09 0.00 0.00 178.44 179.34 1lti n THR 78 N -4.70 0.00 -3.67 0.22 -2.24 -0.54 -4.92 114.28 98.43 1lti n THR 78 Ca 0.04 -0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 1lti n THR 78 Cb 0.03 -0.36 0.06 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.93 -6.94 -3.15 -0.78 1.02 -0.38 -4.95 120.64 104.53 1lti n GLU 79 Ca 0.21 0.76 -0.39 0.00 -0.02 0.00 0.00 57.16 57.71 1lti n GLU 79 Cb 0.17 -5.73 -0.05 0.00 -0.02 0.00 0.00 31.44 25.81 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 -3.35 4.86 0.16 2.62 2.01 -0.74 -4.84 115.64 116.36 1lti s THR 80 Ca 0.48 1.34 -0.31 0.00 0.31 0.00 0.00 61.69 63.51 1lti s THR 80 Cb -0.22 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 1lti s THR 80 CO 0.76 0.41 1.43 -0.54 -0.69 0.00 0.00 174.62 175.99 1lti s LYS 81 N -0.19 4.30 0.09 4.92 1.02 -1.26 -4.44 119.74 124.18 1lti s LYS 81 Ca 0.33 2.18 -0.17 0.00 0.02 0.00 0.00 55.97 58.33 1lti s LYS 81 Cb -0.19 -3.19 -0.07 0.00 -0.52 0.00 0.00 37.83 33.86 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 0.77 4.80 -0.08 2.17 -1.09 0.85 -4.56 121.20 124.07 1lti s ILE 82 Ca 0.64 1.06 -0.06 0.00 -2.23 0.00 0.00 60.65 60.05 1lti s ILE 82 Cb -0.39 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1lti s ILE 82 CO 0.34 0.45 -0.11 -0.67 -1.23 0.00 0.00 174.94 173.72 1lti n ASP 83 N 1.42 0.94 -4.28 3.58 2.03 -0.11 -0.79 116.55 119.34 1lti n ASP 83 Ca -0.09 0.37 -0.16 0.00 0.52 0.00 0.00 54.79 55.44 1lti n ASP 83 Cb 0.51 -0.67 -0.10 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.73 1.14 -0.00 -0.67 1.02 -1.17 0.16 119.74 118.49 1lti s LYS 84 Ca -0.09 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.41 1lti s LYS 84 Cb 0.01 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 1lti s LYS 84 CO 0.14 0.11 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.16 1lti s LEU 85 N -3.20 1.86 -0.25 3.17 1.43 -0.42 -1.05 118.68 120.22 1lti s LEU 85 Ca 0.18 -0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1lti s LEU 85 Cb 0.01 -0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.13 1lti s LEU 85 CO 0.02 -0.01 0.07 0.00 0.23 0.00 0.00 176.35 176.67 1lti s VAL 87 N 1.62 1.94 -0.43 0.00 -7.23 0.02 0.25 120.40 116.58 1lti s VAL 87 Ca 0.06 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 1lti s VAL 87 Cb -0.15 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.85 1lti s VAL 87 CO 0.04 -0.34 0.56 0.26 -0.31 0.00 0.00 175.10 175.30 1lti s TRP 88 N -2.19 3.11 -0.67 2.82 0.51 0.49 -0.68 118.94 122.33 1lti s TRP 88 Ca 0.19 -0.16 0.05 0.00 -2.12 0.00 0.00 56.10 54.06 1lti s TRP 88 Cb -0.05 -3.16 0.31 0.00 -0.81 0.00 0.00 33.47 29.76 1lti s TRP 88 CO 0.08 -0.79 1.01 0.27 -0.51 0.00 0.00 176.95 177.01 1lti n ASN 89 N 5.99 2.85 -1.94 2.95 0.23 0.25 -2.16 115.26 123.43 1lti n ASN 89 Ca -0.04 -2.38 -0.10 0.00 -0.53 0.00 0.00 54.58 51.53 1lti n ASN 89 Cb 0.48 -0.58 0.26 0.00 -2.08 0.00 0.00 39.78 37.86 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 0.21 4.28 -3.93 0.53 6.94 -1.26 -4.92 115.26 117.10 1lti n ASN 90 Ca 0.12 -3.38 -0.09 0.00 -0.02 0.00 0.00 54.58 51.21 1lti n ASN 90 Cb 0.64 -0.75 -0.07 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 -3.10 1.00 -0.19 -3.83 1.02 -1.25 -5.08 119.74 108.31 1lti s LYS 91 Ca 0.54 -1.10 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 1lti s LYS 91 Cb 0.44 0.35 0.06 0.00 -0.52 0.00 0.00 37.83 38.16 1lti s LYS 91 CO 0.11 -0.34 0.01 0.99 -0.92 0.00 0.00 175.35 175.20 1lti s THR 92 N -3.93 0.76 0.86 2.17 2.01 -1.26 -2.93 115.64 113.32 1lti s THR 92 Ca 0.12 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1lti s THR 92 Cb 0.04 -1.16 0.11 0.00 0.01 0.00 0.00 72.50 71.50 1lti s THR 92 CO -0.05 -0.12 1.09 -2.84 -0.69 0.00 0.00 174.62 172.02 1lti s PRO 93 N 1.76 1.54 0.45 4.92 0.02 -1.26 -5.08 135.00 137.35 1lti s PRO 93 Ca -0.01 0.80 -0.25 0.00 0.02 0.00 0.00 61.00 61.55 1lti s PRO 93 Cb -0.17 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 1lti s PRO 93 CO -0.07 -2.04 1.38 0.09 -0.33 0.00 0.00 177.00 176.03 1lti n ASN 94 N -3.74 3.06 -4.83 2.53 5.03 -1.15 -4.54 115.26 111.62 1lti n ASN 94 Ca 0.07 1.11 -0.36 0.00 0.87 0.00 0.00 54.58 56.27 1lti n ASN 94 Cb 0.55 -1.57 -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 -0.44 -1.83 0.00 0.00 177.26 174.99 1lti s SER 95 N -0.52 6.89 -0.09 6.41 0.01 -0.92 -1.65 113.70 123.84 1lti s SER 95 Ca 0.62 1.16 -0.26 0.00 1.31 0.00 0.00 55.95 58.77 1lti s SER 95 Cb -0.46 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 1lti s SER 95 CO 0.57 0.11 0.85 -0.63 0.41 0.00 0.00 173.24 174.55 1lti s ILE 96 N -1.43 4.92 -0.12 1.44 1.01 -0.54 -0.38 121.20 126.10 1lti s ILE 96 Ca 0.38 1.73 0.13 0.00 0.00 0.00 0.00 60.65 62.89 1lti s ILE 96 Cb -0.16 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 37.95 1lti s ILE 96 CO 0.19 0.12 0.11 0.00 0.00 0.00 0.00 174.94 175.36 1lti n ALA 97 N 4.46 1.83 -3.50 9.38 0.00 0.14 -4.89 120.51 127.93 1lti n ALA 97 Ca 0.04 -0.82 -0.11 0.00 0.00 0.00 0.00 53.44 52.55 1lti n ALA 97 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.49 -1.79 0.07 0.00 0.00 -1.03 -4.97 121.76 111.55 1lti s ALA 98 Ca -0.07 1.03 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1lti s ALA 98 Cb 0.05 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1lti s ALA 98 CO 0.59 -0.61 -0.09 -1.50 0.00 0.00 0.00 175.76 174.16 1lti s ILE 99 N -2.72 0.70 0.02 0.00 2.07 -1.26 -1.09 121.20 118.91 1lti s ILE 99 Ca 0.01 -1.39 0.00 0.00 -1.41 0.00 0.00 60.65 57.86 1lti s ILE 99 Cb -0.01 -1.03 -0.02 0.00 0.13 0.00 0.00 42.46 41.54 1lti s ILE 99 CO -0.06 -0.51 -0.03 -0.55 -1.91 0.00 0.00 174.94 171.88 1lti s SER 100 N -2.08 0.30 -0.06 4.50 0.15 -0.22 -4.98 113.70 111.30 1lti s SER 100 Ca -0.02 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.02 1lti s SER 100 Cb -0.05 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1lti s SER 100 CO -0.01 -0.25 0.39 0.00 1.20 0.00 0.00 173.24 174.57 1lti s MET 101 N -1.30 0.65 0.15 5.44 0.23 -1.26 -0.94 119.30 122.27 1lti s MET 101 Ca -0.13 0.11 -0.11 0.00 -1.03 0.00 0.00 55.69 54.53 1lti s MET 101 Cb -0.09 0.30 0.01 0.00 -1.53 0.00 0.00 34.83 33.52 1lti s MET 101 CO -0.01 -0.16 0.32 -1.59 -2.03 0.00 0.00 175.02 171.55 1lti s LYS 102 N -0.80 1.11 0.00 3.16 -2.85 -1.26 -4.92 119.74 114.18 1lti s LYS 102 Ca -0.09 -1.00 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 1lti s LYS 102 Cb -0.04 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1lti s LYS 102 CO 0.04 -0.41 0.07 0.27 0.10 0.00 0.00 175.35 175.41