#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 1.91 0.00 0.00 0.02 -1.26 -4.95 135.00 130.72 1lti s PRO 2 Ca 0.00 1.68 0.03 0.00 0.02 0.00 0.00 61.00 62.73 1lti s PRO 2 Cb 0.00 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.72 1lti s PRO 2 CO 0.00 -1.99 0.52 1.04 -0.33 0.00 0.00 177.00 176.24 1lti n GLN 3 N -3.08 0.58 -3.98 5.54 6.02 -1.26 -4.97 117.38 116.23 1lti n GLN 3 Ca 0.13 -0.57 -0.10 0.00 -0.01 0.00 0.00 57.00 56.45 1lti n GLN 3 Cb 0.51 -0.99 -0.06 0.00 1.02 0.00 0.00 30.24 30.72 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 -0.44 0.03 0.10 5.09 -4.23 -1.26 -5.05 115.64 109.88 1lti s THR 4 Ca 0.03 -1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 58.99 1lti s THR 4 Cb 0.03 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 1lti s THR 4 CO 0.05 -0.13 1.49 -0.29 -0.54 0.00 0.00 174.62 175.21 1lti h ILE 5 N 2.40 1.28 -0.08 2.99 2.10 -1.96 -1.01 117.51 123.22 1lti h ILE 5 Ca -0.29 -1.14 0.03 0.00 1.08 0.00 0.00 64.86 64.54 1lti h ILE 5 Cb 1.24 1.38 -0.03 0.00 -1.09 0.00 0.00 36.82 38.32 1lti h ILE 5 CO 0.42 0.37 -0.09 0.74 -1.08 0.00 0.00 178.15 178.51 1lti h THR 6 N 0.38 0.75 -0.55 2.19 2.02 -1.98 0.46 112.91 116.18 1lti h THR 6 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 1lti h THR 6 Cb 0.58 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1lti h THR 6 CO 0.03 0.00 0.29 -0.08 0.37 0.00 0.00 175.52 176.13 1lti h GLU 7 N -0.11 0.54 -0.38 6.66 4.81 -1.95 -1.37 114.58 122.77 1lti h GLU 7 Ca 0.06 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1lti h GLU 7 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1lti h GLU 7 CO -0.15 0.36 -0.07 1.25 -0.73 0.00 0.00 179.01 179.67 1lti h LEU 8 N 0.56 0.72 -0.50 1.64 6.46 -0.57 -3.20 115.31 120.42 1lti h LEU 8 Ca 0.24 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1lti h LEU 8 Cb 0.13 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 1lti h LEU 8 CO -0.16 0.90 0.25 0.00 -0.62 0.00 0.00 178.44 178.82 1lti n SER 10 N -4.89 0.15 -0.17 0.00 7.64 -0.57 -2.16 113.62 113.62 1lti n SER 10 Ca 0.04 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.59 1lti n SER 10 Cb 0.13 -0.58 0.55 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.69 1.23 -4.35 1.43 1.02 -1.03 -4.86 120.64 112.39 1lti n GLU 11 Ca 0.00 -0.34 -0.22 0.00 -0.02 0.00 0.00 57.16 56.58 1lti n GLU 11 Cb 0.03 -1.35 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.94 1.88 0.31 -0.32 1.51 -0.92 -5.13 117.35 112.74 1lti s TYR 12 Ca 0.32 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.83 1lti s TYR 12 Cb 0.15 -0.92 -0.06 0.00 -0.11 0.00 0.00 41.96 41.02 1lti s TYR 12 CO 0.25 0.37 0.63 1.03 -1.11 0.00 0.00 175.55 176.73 1lti s ARG 13 N -2.91 3.75 -1.06 -0.62 1.81 -1.26 -4.32 118.95 114.33 1lti s ARG 13 Ca 0.18 0.26 -0.06 0.00 -1.72 0.00 0.00 55.73 54.39 1lti s ARG 13 Cb -0.05 -2.55 0.01 0.00 -0.45 0.00 0.00 34.95 31.90 1lti s ARG 13 CO 0.07 0.16 0.93 0.09 -0.68 0.00 0.00 175.30 175.87 1lti n ASN 14 N -0.80 -5.09 -4.30 0.23 4.13 -1.26 -4.95 115.26 103.23 1lti n ASN 14 Ca 0.00 -0.44 -0.16 0.00 1.68 0.00 0.00 54.58 55.67 1lti n ASN 14 Cb 0.53 -4.11 -0.10 0.00 -1.54 0.00 0.00 39.78 34.57 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 -3.26 0.76 -0.09 3.41 -4.23 -1.26 -0.51 115.64 110.46 1lti s THR 15 Ca 0.41 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.62 1lti s THR 15 Cb -0.18 -2.38 0.11 0.00 1.34 0.00 0.00 72.50 71.39 1lti s THR 15 CO 0.58 -0.26 0.91 0.00 -0.54 0.00 0.00 174.62 175.31 1lti s GLN 16 N -3.94 0.74 -0.05 3.99 -2.07 -0.80 -4.84 119.66 112.70 1lti s GLN 16 Ca 0.30 0.02 -0.17 0.00 -1.82 0.00 0.00 55.36 53.70 1lti s GLN 16 Cb 0.07 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1lti s GLN 16 CO 0.09 -0.26 0.46 0.42 -1.32 0.00 0.00 175.29 174.68 1lti s ILE 17 N -1.74 5.07 -0.26 3.63 -1.09 -1.26 -2.05 121.20 123.50 1lti s ILE 17 Ca -0.01 0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 59.33 1lti s ILE 17 Cb -0.01 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1lti s ILE 17 CO -0.00 0.45 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.81 1lti s TYR 18 N -0.23 3.10 -0.79 3.97 1.51 -0.00 -4.96 117.35 119.96 1lti s TYR 18 Ca 0.25 -1.52 -0.26 0.00 -1.01 0.00 0.00 57.07 54.54 1lti s TYR 18 Cb -0.16 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1lti s TYR 18 CO 0.12 -0.72 1.27 0.99 -1.11 0.00 0.00 175.55 176.11 1lti s THR 19 N 1.34 3.85 0.00 -0.71 2.01 -1.26 -0.71 115.64 120.16 1lti s THR 19 Ca -0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1lti s THR 19 Cb -0.17 -4.91 0.00 0.00 0.01 0.00 0.00 72.50 67.43 1lti s THR 19 CO -0.03 -1.82 0.11 -0.38 -0.69 0.00 0.00 174.62 171.81 1lti n ILE 20 N 6.40 0.00 -2.98 1.82 2.08 0.19 -4.96 119.36 121.91 1lti n ILE 20 Ca 0.08 0.46 -0.13 0.00 0.56 0.00 0.00 62.75 63.72 1lti n ILE 20 Cb 0.49 -1.16 0.06 0.00 -0.75 0.00 0.00 39.64 38.28 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 -1.48 -4.72 -3.61 4.38 5.15 0.91 -4.99 115.26 110.90 1lti n ASN 21 Ca 0.00 -0.55 -0.01 0.00 -0.60 0.00 0.00 54.58 53.42 1lti n ASN 21 Cb 0.00 -4.29 -0.01 0.00 -0.53 0.00 0.00 39.78 34.94 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 -3.53 -0.07 0.48 1.20 2.15 -0.64 -4.91 116.67 111.34 1lti s ASP 22 Ca 0.27 -0.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.15 1lti s ASP 22 Cb -0.03 0.12 -0.02 0.00 -0.30 0.00 0.00 42.92 42.69 1lti s ASP 22 CO 0.60 -0.22 0.76 -1.59 -0.17 0.00 0.00 175.17 174.55 1lti s LYS 23 N -2.34 3.27 0.18 4.34 -2.85 -1.26 -0.95 119.74 120.13 1lti s LYS 23 Ca 0.12 -0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.71 1lti s LYS 23 Cb 0.03 -2.43 -0.08 0.00 -2.06 0.00 0.00 37.83 33.28 1lti s LYS 23 CO -0.04 -0.30 1.29 0.42 0.10 0.00 0.00 175.35 176.82 1lti s ILE 24 N -2.71 3.33 -0.15 3.79 1.01 -1.26 -4.67 121.20 120.55 1lti s ILE 24 Ca 0.48 1.07 -0.27 0.00 0.00 0.00 0.00 60.65 61.93 1lti s ILE 24 Cb -0.10 -3.69 -0.25 0.00 0.01 0.00 0.00 42.46 38.43 1lti s ILE 24 CO 0.42 0.15 0.68 0.25 0.00 0.00 0.00 174.94 176.44 1lti h LEU 25 N 5.56 0.02 -8.22 2.97 5.85 -0.77 -3.48 115.31 117.25 1lti h LEU 25 Ca -0.44 -0.91 -0.18 0.00 0.84 0.00 0.00 57.88 57.18 1lti h LEU 25 Cb 1.21 -0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.06 1lti h LEU 25 CO 0.78 1.11 -0.70 -0.94 -0.34 0.00 0.00 178.44 178.35 1lti s SER 26 N -6.37 0.66 -0.06 1.25 1.04 -1.19 -4.97 113.70 104.06 1lti s SER 26 Ca -0.20 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1lti s SER 26 Cb -0.01 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1lti s SER 26 CO 0.68 -0.43 -0.04 -0.47 0.98 0.00 0.00 173.24 173.97 1lti s TYR 27 N -2.82 0.79 -0.09 5.02 6.14 -1.26 -1.77 117.35 123.35 1lti s TYR 27 Ca -0.00 -0.24 0.03 0.00 0.64 0.00 0.00 57.07 57.50 1lti s TYR 27 Cb -0.00 -0.74 0.01 0.00 0.42 0.00 0.00 41.96 41.64 1lti s TYR 27 CO -0.05 -0.25 -0.19 0.99 0.64 0.00 0.00 175.55 176.69 1lti s THR 28 N 1.24 1.71 -0.03 4.34 2.01 0.26 -4.99 115.64 120.18 1lti s THR 28 Ca -0.06 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.18 1lti s THR 28 Cb -0.14 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1lti s THR 28 CO -0.02 0.48 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.52 1lti s GLU 29 N 0.51 1.60 -0.00 4.92 2.12 -1.26 -1.39 118.70 125.20 1lti s GLU 29 Ca -0.16 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.57 1lti s GLU 29 Cb -0.17 -1.48 -0.01 0.00 0.26 0.00 0.00 34.13 32.73 1lti s GLU 29 CO 0.06 0.34 -0.13 0.45 -0.54 0.00 0.00 175.26 175.43 1lti s SER 30 N -0.25 1.57 0.00 -1.70 0.15 -0.84 -5.01 113.70 107.63 1lti s SER 30 Ca 0.03 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.42 1lti s SER 30 Cb -0.09 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.11 1lti s SER 30 CO 0.00 0.14 0.96 1.15 1.20 0.00 0.00 173.24 176.70 1lti n MET 31 N 2.60 2.35 -1.88 5.44 0.00 -1.26 -3.07 117.12 121.30 1lti n MET 31 Ca -0.15 -1.43 -0.41 0.00 0.00 0.00 0.00 57.70 55.71 1lti n MET 31 Cb 0.55 -1.04 -0.01 0.00 0.00 0.00 0.00 33.22 32.72 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 -0.86 3.63 0.08 3.17 0.00 -1.26 -4.83 121.76 121.70 1lti s ALA 32 Ca 0.04 1.49 -0.36 0.00 0.00 0.00 0.00 51.96 53.12 1lti s ALA 32 Cb 0.02 -3.60 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 1lti s ALA 32 CO 0.03 -0.92 1.16 0.41 0.00 0.00 0.00 175.76 176.44 1lti n GLY 33 N 1.43 -0.00 3.33 0.00 0.00 -1.26 -1.03 105.19 107.66 1lti n GLY 33 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 1.93 -0.50 -2.66 1.61 4.76 -1.26 -4.80 118.16 117.24 1lti n LYS 34 Ca 0.18 0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.66 1lti n LYS 34 Cb 0.17 -4.07 0.03 0.00 -1.84 0.00 0.00 35.03 29.33 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 -1.36 1.68 -2.72 1.97 1.74 -0.20 -5.00 116.66 112.77 1lti n ARG 35 Ca 0.00 -3.50 -0.42 0.00 -0.77 0.00 0.00 57.85 53.15 1lti n ARG 35 Cb 0.12 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1lti n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1lti s GLU 36 N -3.40 3.30 0.36 5.56 8.01 -1.21 -4.40 118.70 126.92 1lti s GLU 36 Ca 0.30 -0.84 -0.06 0.00 0.01 0.00 0.00 54.97 54.39 1lti s GLU 36 Cb 0.41 -4.52 0.03 0.00 -4.31 0.00 0.00 34.13 25.73 1lti s GLU 36 CO -0.01 -1.99 0.59 0.00 0.01 0.00 0.00 175.26 173.86 1lti n MET 37 N 8.28 0.85 -4.15 1.61 0.00 -1.17 -4.21 117.12 118.33 1lti n MET 37 Ca 0.09 -2.60 -0.16 0.00 0.00 0.00 0.00 57.70 55.04 1lti n MET 37 Cb 0.48 2.71 -0.12 0.00 0.00 0.00 0.00 33.22 36.29 1lti n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1lti s VAL 38 N -2.58 0.77 -0.02 3.17 1.01 -1.21 -1.98 120.40 119.55 1lti s VAL 38 Ca 0.25 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1lti s VAL 38 Cb -0.02 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1lti s VAL 38 CO 0.18 -0.22 -0.02 -0.63 0.00 0.00 0.00 175.10 174.40 1lti s ILE 39 N -1.13 0.28 0.26 2.22 1.01 -0.48 -1.39 121.20 121.97 1lti s ILE 39 Ca -0.05 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1lti s ILE 39 Cb -0.09 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 1lti s ILE 39 CO 0.01 0.12 -0.15 0.27 0.00 0.00 0.00 174.94 175.20 1lti s ILE 40 N 0.44 2.07 0.03 2.92 -4.36 -0.69 -0.58 121.20 121.04 1lti s ILE 40 Ca -0.05 -2.27 -0.00 0.00 -0.26 0.00 0.00 60.65 58.07 1lti s ILE 40 Cb -0.08 -2.28 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 1lti s ILE 40 CO -0.01 -0.43 -0.03 -0.89 0.24 0.00 0.00 174.94 173.83 1lti s THR 41 N -2.76 0.14 0.40 8.37 2.01 -0.73 -2.18 115.64 120.89 1lti s THR 41 Ca 0.28 -1.11 0.08 0.00 0.31 0.00 0.00 61.69 61.24 1lti s THR 41 Cb -0.01 -0.56 -0.07 0.00 0.01 0.00 0.00 72.50 71.87 1lti s THR 41 CO 0.12 -0.61 0.05 -0.36 -0.69 0.00 0.00 174.62 173.13 1lti s PHE 42 N -2.04 2.54 0.49 4.92 0.08 -0.32 -0.03 117.98 123.62 1lti s PHE 42 Ca -0.11 -0.61 0.18 0.00 0.12 0.00 0.00 56.93 56.52 1lti s PHE 42 Cb -0.06 -1.77 1.24 0.00 -0.57 0.00 0.00 43.02 41.86 1lti s PHE 42 CO -0.03 0.39 2.09 -0.22 -0.10 0.00 0.00 175.22 177.34 1lti h LYS 43 N 1.69 0.00 0.00 0.44 1.63 -1.89 -2.06 116.57 116.38 1lti h LYS 43 Ca -0.43 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.35 1lti h LYS 43 Cb 1.25 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1lti h LYS 43 CO 0.75 0.09 -0.08 0.66 -3.45 0.00 0.00 179.45 177.43 1lti h SER 44 N 0.00 0.00 0.00 4.20 4.64 -1.98 -3.46 113.55 116.96 1lti h SER 44 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lti h SER 44 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1lti h SER 44 CO 0.01 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1lti n GLY 45 N -0.60 0.92 3.72 -0.77 0.00 -0.77 -5.06 105.19 102.63 1lti n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.62 4.24 -0.14 1.61 0.41 -1.26 -4.73 118.70 118.22 1lti s GLU 46 Ca 0.00 2.29 0.02 0.00 -0.41 0.00 0.00 54.97 56.87 1lti s GLU 46 Cb 0.00 -3.17 0.01 0.00 -1.78 0.00 0.00 34.13 29.19 1lti s GLU 46 CO 0.00 -0.55 -0.20 0.99 -0.49 0.00 0.00 175.26 175.01 1lti s THR 47 N 1.02 1.89 0.22 3.63 2.01 -1.26 -1.17 115.64 121.97 1lti s THR 47 Ca 0.68 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.88 1lti s THR 47 Cb -0.42 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1lti s THR 47 CO 0.32 0.52 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.29 1lti s PHE 48 N 0.95 1.73 0.10 4.92 0.08 -0.93 -3.87 117.98 120.97 1lti s PHE 48 Ca -0.05 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.40 1lti s PHE 48 Cb -0.15 -0.86 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1lti s PHE 48 CO -0.04 0.31 -0.07 1.14 -0.10 0.00 0.00 175.22 176.46 1lti s GLN 49 N -3.68 0.85 -0.19 0.44 -2.07 -0.87 -1.70 119.66 112.44 1lti s GLN 49 Ca 0.24 -1.33 -0.04 0.00 -1.82 0.00 0.00 55.36 52.41 1lti s GLN 49 Cb 0.01 -0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 31.65 1lti s GLN 49 CO 0.08 -0.00 -0.04 0.08 -1.32 0.00 0.00 175.29 174.08 1lti s VAL 50 N -3.50 3.66 0.50 3.63 1.01 -0.49 -1.14 120.40 124.07 1lti s VAL 50 Ca 0.12 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 1lti s VAL 50 Cb 0.04 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 1lti s VAL 50 CO -0.04 0.45 1.12 -1.61 0.00 0.00 0.00 175.10 175.02 1lti s GLU 51 N 0.89 3.60 0.17 2.72 2.02 -1.26 -3.36 118.70 123.48 1lti s GLU 51 Ca -0.00 1.61 -0.31 0.00 0.02 0.00 0.00 54.97 56.29 1lti s GLU 51 Cb -0.15 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 1lti s GLU 51 CO 0.01 -0.65 1.40 0.08 0.02 0.00 0.00 175.26 176.12 1lti s VAL 52 N -1.73 3.06 0.15 2.63 1.01 -1.26 -4.89 120.40 119.37 1lti s VAL 52 Ca 0.68 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 63.16 1lti s VAL 52 Cb -0.24 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1lti s VAL 52 CO 0.28 0.10 1.71 -2.84 0.00 0.00 0.00 175.10 174.35 1lti s PRO 53 N 0.42 4.16 0.00 2.72 0.02 -1.26 -4.94 135.00 136.12 1lti s PRO 53 Ca 0.62 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1lti s PRO 53 Cb -0.39 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 30.82 1lti s PRO 53 CO 0.35 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1lti n GLY 54 N 4.01 5.16 0.28 0.52 0.00 -1.26 -5.05 105.19 108.84 1lti n GLY 54 Ca 0.16 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 1lti n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lti h SER 55 N 0.00 0.82 0.00 1.61 0.02 -2.02 -2.96 113.55 111.02 1lti h SER 55 Ca 0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1lti h SER 55 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1lti h SER 55 CO 0.00 0.94 0.52 0.06 -1.14 0.00 0.00 176.83 177.21 1lti h GLN 56 N 0.75 0.00 -5.83 3.45 -0.00 -1.96 -3.40 115.11 108.12 1lti h GLN 56 Ca 0.13 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 58.14 1lti h GLN 56 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.02 1lti h GLN 56 CO 0.04 0.00 -0.47 -1.01 -0.00 0.00 0.00 178.83 177.39 1lti s HIS 57 N -3.78 3.55 0.52 0.06 3.76 -1.12 -5.11 115.29 113.18 1lti s HIS 57 Ca -0.02 0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 55.27 1lti s HIS 57 Cb 0.05 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.89 1lti s HIS 57 CO 0.15 0.63 0.77 0.96 -0.85 0.00 0.00 174.74 176.40 1lti s ILE 58 N -1.34 3.47 0.40 0.60 -4.36 -1.26 -4.94 121.20 113.78 1lti s ILE 58 Ca 0.28 -0.42 0.09 0.00 -0.26 0.00 0.00 60.65 60.34 1lti s ILE 58 Cb -0.13 -3.32 0.30 0.00 1.25 0.00 0.00 42.46 40.57 1lti s ILE 58 CO 0.19 -0.25 1.99 0.44 0.24 0.00 0.00 174.94 177.54 1lti h ASP 59 N 0.13 0.51 0.84 4.36 5.19 -1.98 -2.09 116.42 123.38 1lti h ASP 59 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1lti h ASP 59 Cb 1.27 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1lti h ASP 59 CO 0.57 0.33 0.00 -1.54 -3.12 0.00 0.00 179.24 175.48 1lti n SER 60 N -4.48 0.69 0.15 6.45 3.41 -1.26 -2.49 113.62 116.09 1lti n SER 60 Ca 0.09 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1lti n SER 60 Cb 0.25 -0.80 0.21 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.21 4.33 4.20 -1.76 -3.36 115.11 118.31 1lti h GLN 61 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1lti h GLN 61 Cb 0.42 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.13 1lti h GLN 61 CO 0.00 0.00 -0.33 -0.22 -0.67 0.00 0.00 178.83 177.61 1lti h LYS 62 N 0.00 -0.35 -0.26 1.46 3.11 -1.58 0.72 116.57 119.67 1lti h LYS 62 Ca 0.00 0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.71 1lti h LYS 62 Cb 0.89 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.20 1lti h LYS 62 CO 0.00 -0.23 -0.48 0.87 -2.81 0.00 0.00 179.45 176.80 1lti h LYS 63 N -0.36 0.69 -0.15 1.90 1.57 -1.78 -2.98 116.57 115.46 1lti h LYS 63 Ca 0.12 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 1lti h LYS 63 Cb 0.55 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1lti h LYS 63 CO -0.41 1.02 -0.13 0.00 -0.57 0.00 0.00 179.45 179.36 1lti h ALA 64 N 0.91 1.49 -0.09 3.86 0.00 -1.56 -1.77 119.26 122.12 1lti h ALA 64 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1lti h ALA 64 Cb 1.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1lti h ALA 64 CO 0.10 0.36 0.01 0.82 0.00 0.00 0.00 179.25 180.54 1lti h ILE 65 N 0.23 1.21 -0.83 0.00 2.04 -0.73 -0.93 117.51 118.51 1lti h ILE 65 Ca 0.05 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1lti h ILE 65 Cb 0.38 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1lti h ILE 65 CO 0.02 0.19 0.53 -0.33 0.00 0.00 0.00 178.15 178.56 1lti h GLU 66 N -0.09 1.10 -0.45 2.37 4.39 -1.36 -2.09 114.58 118.46 1lti h GLU 66 Ca 0.03 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1lti h GLU 66 Cb 0.28 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1lti h GLU 66 CO 0.00 0.75 0.16 -0.09 -1.16 0.00 0.00 179.01 178.67 1lti h ARG 67 N 1.13 0.69 -1.00 2.33 2.43 -1.21 -0.78 114.38 117.96 1lti h ARG 67 Ca 0.30 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1lti h ARG 67 Cb -0.09 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.29 1lti h ARG 67 CO -0.06 0.65 0.65 1.98 -1.51 0.00 0.00 179.97 181.68 1lti h MET 68 N 0.59 1.21 -0.36 0.20 4.05 -0.86 0.35 114.93 120.11 1lti h MET 68 Ca 0.15 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 1lti h MET 68 Cb 0.23 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1lti h MET 68 CO -0.01 0.80 -0.16 0.87 0.23 0.00 0.00 176.91 178.64 1lti h LYS 69 N 1.25 0.65 -0.37 0.39 1.57 -0.85 -1.05 116.57 118.16 1lti h LYS 69 Ca 0.41 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1lti h LYS 69 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1lti h LYS 69 CO -0.14 0.78 0.03 -0.44 -0.57 0.00 0.00 179.45 179.11 1lti h ASP 70 N 0.59 0.62 -0.72 0.86 3.32 0.29 -2.55 116.42 118.81 1lti h ASP 70 Ca 0.10 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1lti h ASP 70 Cb 0.61 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1lti h ASP 70 CO 0.04 0.75 0.47 0.74 -1.72 0.00 0.00 179.24 179.52 1lti h THR 71 N 0.46 1.19 -0.19 0.35 2.02 0.03 -2.82 112.91 113.95 1lti h THR 71 Ca 0.11 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 1lti h THR 71 Cb 0.41 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1lti h THR 71 CO 0.01 0.18 -0.36 -0.07 0.37 0.00 0.00 175.52 175.65 1lti h LEU 72 N 0.98 0.42 -0.35 2.58 3.38 -1.12 -2.05 115.31 119.16 1lti h LEU 72 Ca 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1lti h LEU 72 Cb -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1lti h LEU 72 CO -0.06 0.75 0.01 -0.09 0.09 0.00 0.00 178.44 179.15 1lti h ARG 73 N 0.34 0.60 -0.07 1.13 2.43 -1.25 -1.77 114.38 115.79 1lti h ARG 73 Ca 0.04 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1lti h ARG 73 Cb 0.80 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1lti h ARG 73 CO 0.06 0.71 0.03 0.82 -1.51 0.00 0.00 179.97 180.09 1lti h ILE 74 N 0.42 1.11 -0.52 1.20 2.04 -1.49 -0.59 117.51 119.68 1lti h ILE 74 Ca 0.10 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1lti h ILE 74 Cb 0.43 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1lti h ILE 74 CO 0.02 0.09 0.25 0.74 0.00 0.00 0.00 178.15 179.25 1lti h THR 75 N -0.01 0.92 0.65 -0.27 2.02 -1.37 -0.69 112.91 114.17 1lti h THR 75 Ca 0.02 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1lti h THR 75 Cb 0.12 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1lti h THR 75 CO -0.00 0.09 -0.31 0.22 0.37 0.00 0.00 175.52 175.88 1lti h TYR 76 N 0.48 -0.82 0.00 3.16 3.20 -1.05 -0.61 116.97 121.33 1lti h TYR 76 Ca 0.24 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1lti h TYR 76 Cb 0.17 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1lti h TYR 76 CO -0.11 -0.49 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.83 1lti h LEU 77 N -0.92 0.00 -1.82 2.82 3.38 -0.90 -2.05 115.31 115.82 1lti h LEU 77 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1lti h LEU 77 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1lti h LEU 77 CO 0.15 0.02 -0.01 0.35 0.09 0.00 0.00 178.44 179.03 1lti n THR 78 N -3.75 0.00 -3.72 0.22 -2.24 -0.28 -4.97 114.28 99.54 1lti n THR 78 Ca -0.03 -0.49 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 1lti n THR 78 Cb 0.10 1.45 0.05 0.00 -2.10 0.00 0.00 70.33 69.83 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 1.19 -6.56 -2.68 -0.78 1.02 -0.35 -4.93 120.64 107.55 1lti n GLU 79 Ca 0.13 0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 57.56 1lti n GLU 79 Cb 0.54 -5.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.25 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 -3.29 4.55 0.06 2.62 2.01 -0.52 -4.84 115.64 116.23 1lti s THR 80 Ca 0.61 1.98 -0.31 0.00 0.31 0.00 0.00 61.69 64.28 1lti s THR 80 Cb -0.29 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 67.89 1lti s THR 80 CO 0.76 0.23 1.36 -0.75 -0.69 0.00 0.00 174.62 175.53 1lti s LYS 81 N 0.46 4.33 -0.01 4.92 2.20 -1.26 -4.49 119.74 125.89 1lti s LYS 81 Ca 0.50 1.98 -0.12 0.00 -0.36 0.00 0.00 55.97 57.98 1lti s LYS 81 Cb -0.23 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1lti s LYS 81 CO 0.29 -0.45 0.34 0.42 -0.36 0.00 0.00 175.35 175.59 1lti s ILE 82 N 1.56 5.15 0.00 5.43 1.01 -0.12 -4.40 121.20 129.83 1lti s ILE 82 Ca 0.63 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1lti s ILE 82 Cb -0.34 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1lti s ILE 82 CO 0.29 0.52 0.00 -0.67 0.00 0.00 0.00 174.94 175.08 1lti n ASP 83 N 1.63 0.00 -4.15 3.58 2.03 0.34 -0.07 116.55 119.91 1lti n ASP 83 Ca -0.14 0.28 -0.10 0.00 0.52 0.00 0.00 54.79 55.36 1lti n ASP 83 Cb 0.53 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.99 0.87 0.07 -0.67 1.02 -1.13 0.57 119.74 119.48 1lti s LYS 84 Ca 0.00 -1.40 0.06 0.00 0.02 0.00 0.00 55.97 54.66 1lti s LYS 84 Cb 0.00 0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1lti s LYS 84 CO 0.00 -0.19 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.56 1lti s LEU 85 N -3.04 2.25 -0.23 3.17 1.43 0.11 -2.10 118.68 120.27 1lti s LEU 85 Ca 0.19 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1lti s LEU 85 Cb 0.07 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.61 1lti s LEU 85 CO -0.01 0.02 -0.13 0.00 0.23 0.00 0.00 176.35 176.46 1lti s VAL 87 N 1.23 1.91 -0.53 0.00 -7.23 -0.87 0.51 120.40 115.42 1lti s VAL 87 Ca -0.01 -1.31 -0.27 0.00 -1.81 0.00 0.00 61.98 58.58 1lti s VAL 87 Cb -0.17 -1.64 0.03 0.00 0.56 0.00 0.00 36.38 35.16 1lti s VAL 87 CO -0.08 0.27 1.06 0.26 -0.31 0.00 0.00 175.10 176.30 1lti s TRP 88 N -0.82 2.76 -1.49 2.82 0.51 0.42 -1.90 118.94 121.25 1lti s TRP 88 Ca 0.10 0.36 0.00 0.00 -2.12 0.00 0.00 56.10 54.43 1lti s TRP 88 Cb -0.09 -4.27 0.00 0.00 -0.81 0.00 0.00 33.47 28.30 1lti s TRP 88 CO 0.02 -1.36 0.64 0.27 -0.51 0.00 0.00 176.95 176.01 1lti n ASN 89 N 7.80 0.44 -1.92 2.95 0.23 0.33 -2.74 115.26 122.35 1lti n ASN 89 Ca 0.07 -1.72 -0.17 0.00 -0.53 0.00 0.00 54.58 52.23 1lti n ASN 89 Cb 0.49 -0.22 0.19 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 -0.21 3.48 -4.07 0.53 6.94 -1.26 -4.92 115.26 115.76 1lti n ASN 90 Ca 0.00 -3.63 -0.07 0.00 -0.02 0.00 0.00 54.58 50.86 1lti n ASN 90 Cb 0.11 -0.78 -0.10 0.00 -2.36 0.00 0.00 39.78 36.65 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 -3.26 0.58 -0.21 -3.83 -0.14 -1.24 -5.05 119.74 106.59 1lti s LYS 91 Ca 0.53 -1.13 -0.01 0.00 -1.36 0.00 0.00 55.97 54.00 1lti s LYS 91 Cb 0.46 0.20 0.06 0.00 -1.68 0.00 0.00 37.83 36.87 1lti s LYS 91 CO 0.08 -0.11 -0.02 0.99 -0.76 0.00 0.00 175.35 175.53 1lti s THR 92 N -3.62 1.11 0.93 2.17 2.01 -1.26 -2.90 115.64 114.08 1lti s THR 92 Ca 0.04 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 1lti s THR 92 Cb 0.06 -1.44 0.15 0.00 0.01 0.00 0.00 72.50 71.28 1lti s THR 92 CO -0.09 -0.09 1.09 -2.84 -0.69 0.00 0.00 174.62 172.00 1lti s PRO 93 N 1.60 0.95 0.20 4.92 0.02 -1.26 -5.05 135.00 136.39 1lti s PRO 93 Ca -0.03 0.78 -0.32 0.00 0.02 0.00 0.00 61.00 61.45 1lti s PRO 93 Cb -0.18 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.45 1lti s PRO 93 CO -0.07 -2.44 1.72 -0.80 -0.33 0.00 0.00 177.00 175.08 1lti s ASN 94 N -3.36 6.39 0.15 2.53 0.02 -1.14 -4.56 114.94 114.96 1lti s ASN 94 Ca 0.64 2.86 -0.30 0.00 -1.02 0.00 0.00 52.86 55.04 1lti s ASN 94 Cb -0.19 -2.60 -0.07 0.00 0.02 0.00 0.00 41.25 38.42 1lti s ASN 94 CO 0.57 -0.97 1.04 -0.55 0.02 0.00 0.00 177.10 177.22 1lti s SER 95 N 1.22 7.37 0.06 -1.22 0.15 -1.11 -2.05 113.70 118.12 1lti s SER 95 Ca 0.75 1.97 -0.30 0.00 0.70 0.00 0.00 55.95 59.07 1lti s SER 95 Cb -0.49 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.17 1lti s SER 95 CO 0.32 -0.15 0.96 -0.63 1.20 0.00 0.00 173.24 174.94 1lti s ILE 96 N -0.17 4.68 -0.11 6.45 1.01 -0.29 -0.44 121.20 132.33 1lti s ILE 96 Ca 0.48 2.05 0.04 0.00 0.00 0.00 0.00 60.65 63.22 1lti s ILE 96 Cb -0.27 -4.31 -0.10 0.00 0.01 0.00 0.00 42.46 37.79 1lti s ILE 96 CO 0.33 0.25 -0.05 0.00 0.00 0.00 0.00 174.94 175.46 1lti n ALA 97 N 3.31 1.75 -3.39 9.38 0.00 0.18 -4.88 120.51 126.86 1lti n ALA 97 Ca 0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 1lti n ALA 97 Cb 0.50 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.24 -1.55 0.05 0.00 0.00 -1.08 -4.98 121.76 111.95 1lti s ALA 98 Ca -0.12 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1lti s ALA 98 Cb 0.04 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1lti s ALA 98 CO 0.33 -0.71 -0.07 -1.50 0.00 0.00 0.00 175.76 173.80 1lti s ILE 99 N -3.46 0.52 0.00 0.00 2.07 -1.26 -1.70 121.20 117.37 1lti s ILE 99 Ca -0.00 -1.16 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 1lti s ILE 99 Cb -0.01 -0.70 -0.00 0.00 0.13 0.00 0.00 42.46 41.88 1lti s ILE 99 CO -0.10 -0.45 -0.02 -0.94 -1.91 0.00 0.00 174.94 171.52 1lti s SER 100 N -1.73 0.18 0.14 4.50 1.04 -0.89 -5.01 113.70 111.92 1lti s SER 100 Ca -0.08 -0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.35 1lti s SER 100 Cb -0.08 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1lti s SER 100 CO -0.00 -0.02 -0.18 -0.04 0.98 0.00 0.00 173.24 173.98 1lti s MET 101 N -0.20 1.17 0.01 4.02 -1.94 -1.26 -0.51 119.30 120.60 1lti s MET 101 Ca -0.01 -1.30 -0.06 0.00 -1.71 0.00 0.00 55.69 52.60 1lti s MET 101 Cb -0.02 -1.23 -0.00 0.00 2.01 0.00 0.00 34.83 35.59 1lti s MET 101 CO -0.00 0.26 0.11 0.21 -0.01 0.00 0.00 175.02 175.59 1lti s LYS 102 N -2.55 0.48 0.00 2.03 2.20 -1.26 -4.87 119.74 115.77 1lti s LYS 102 Ca 0.12 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1lti s LYS 102 Cb -0.07 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1lti s LYS 102 CO 0.05 -0.11 0.00 0.09 -0.36 0.00 0.00 175.35 175.02