#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cad s ILE 10 N 0.00 5.32 -0.10 -1.33 1.01 -1.26 -5.12 121.20 119.72 2cad s ILE 10 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.12 2cad s ILE 10 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2cad s ILE 10 CO 0.00 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.72 2cad s ILE 11 N -0.57 3.09 -0.00 2.92 1.09 -1.26 -5.11 121.20 121.35 2cad s ILE 11 Ca 0.17 -0.67 -0.20 0.00 -1.10 0.00 0.00 60.65 58.85 2cad s ILE 11 Cb -0.13 -2.27 -0.05 0.00 -1.06 0.00 0.00 42.46 38.94 2cad s ILE 11 CO 0.06 0.55 0.57 0.00 -0.10 0.00 0.00 174.94 176.02 2cad s ARG 12 N -0.04 4.28 0.07 2.79 3.03 -1.26 -5.08 118.95 122.75 2cad s ARG 12 Ca -0.03 0.70 -0.09 0.00 2.03 0.00 0.00 55.73 58.34 2cad s ARG 12 Cb -0.14 -3.33 0.00 0.00 -1.03 0.00 0.00 34.95 30.45 2cad s ARG 12 CO 0.04 0.40 0.19 -0.59 -1.13 0.00 0.00 175.30 174.21 2cad s PHE 13 N -0.29 0.11 0.16 5.89 -0.12 -1.26 -5.18 117.98 117.30 2cad s PHE 13 Ca 0.30 -0.46 0.06 0.00 -0.05 0.00 0.00 56.93 56.78 2cad s PHE 13 Cb -0.18 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 2cad s PHE 13 CO 0.17 -0.49 0.09 -1.54 -0.05 0.00 0.00 175.22 173.39 2cad s SER 14 N -2.53 5.27 0.11 1.98 1.04 -1.26 -5.12 113.70 113.19 2cad s SER 14 Ca 0.01 -0.21 0.08 0.00 0.48 0.00 0.00 55.95 56.30 2cad s SER 14 Cb 0.02 -1.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 2cad s SER 14 CO -0.08 0.08 -0.19 -0.69 0.98 0.00 0.00 173.24 173.34 2cad s VAL 15 N -1.71 1.63 -0.04 5.02 1.01 -1.26 -5.15 120.40 119.90 2cad s VAL 15 Ca 0.30 -1.58 0.05 0.00 0.00 0.00 0.00 61.98 60.75 2cad s VAL 15 Cb -0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2cad s VAL 15 CO 0.22 -0.14 -0.18 -0.44 0.00 0.00 0.00 175.10 174.56 2cad s SER 16 N -2.03 3.71 -0.11 3.32 0.01 -1.26 -5.12 113.70 112.22 2cad s SER 16 Ca 0.07 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 56.84 2cad s SER 16 Cb -0.09 -0.68 0.05 0.00 0.21 0.00 0.00 66.02 65.51 2cad s SER 16 CO 0.04 0.34 0.48 -0.22 0.41 0.00 0.00 173.24 174.29 2cad s LEU 17 N -0.71 0.15 0.16 2.44 2.96 -1.26 -5.14 118.68 117.28 2cad s LEU 17 Ca 0.11 0.67 -0.31 0.00 -0.22 0.00 0.00 54.13 54.38 2cad s LEU 17 Cb -0.10 1.77 -0.09 0.00 0.50 0.00 0.00 46.19 48.26 2cad s LEU 17 CO 0.00 -0.35 1.45 -1.10 -1.32 0.00 0.00 176.35 175.03 2cad s GLN 18 N -0.53 4.28 0.29 1.98 1.11 -1.26 -4.86 119.66 120.68 2cad s GLN 18 Ca -0.06 2.20 0.03 0.00 0.01 0.00 0.00 55.36 57.53 2cad s GLN 18 Cb -0.03 -3.19 0.75 0.00 -1.01 0.00 0.00 33.01 29.52 2cad s GLN 18 CO 0.04 -0.47 1.64 0.37 0.01 0.00 0.00 175.29 176.87 2cad h GLN 19 N 6.43 0.18 -0.75 2.91 5.75 -2.00 -0.53 115.11 127.09 2cad h GLN 19 Ca -0.43 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.09 2cad h GLN 19 Cb 1.21 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 2cad h GLN 19 CO 0.86 0.12 0.48 -2.95 -2.65 0.00 0.00 178.83 174.69 2cad h ASN 20 N 0.18 0.80 0.52 -0.69 -1.07 -2.00 0.29 115.58 113.62 2cad h ASN 20 Ca 0.57 -0.01 -0.09 0.00 0.07 0.00 0.00 56.30 56.84 2cad h ASN 20 Cb 1.18 -0.18 -0.01 0.00 -2.07 0.00 0.00 38.32 37.24 2cad h ASN 20 CO -0.69 0.55 -0.44 0.17 0.07 0.00 0.00 177.43 177.10 2cad h LEU 21 N 0.94 0.00 -0.80 6.14 8.10 -1.55 -2.73 115.31 125.42 2cad h LEU 21 Ca 0.30 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.16 2cad h LEU 21 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.20 2cad h LEU 21 CO -0.10 0.44 -0.55 0.25 -4.11 0.00 0.00 178.44 174.36 2cad h LEU 22 N 0.00 0.15 -0.24 0.17 5.85 -0.54 -0.29 115.31 120.41 2cad h LEU 22 Ca -0.00 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 2cad h LEU 22 Cb 0.82 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2cad h LEU 22 CO 0.06 0.67 -0.39 0.44 -0.34 0.00 0.00 178.44 178.88 2cad h ASP 23 N 0.10 0.76 -0.08 1.25 3.32 -0.98 0.97 116.42 121.77 2cad h ASP 23 Ca -0.00 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 2cad h ASP 23 Cb 1.01 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 2cad h ASP 23 CO 0.08 1.14 0.03 -0.08 -1.72 0.00 0.00 179.24 178.69 2cad h GLU 24 N 0.41 0.12 0.06 3.56 4.57 -1.42 -1.90 114.58 119.97 2cad h GLU 24 Ca 0.02 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2cad h GLU 24 Cb 0.98 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 2cad h GLU 24 CO 0.09 0.22 -0.42 1.25 -1.18 0.00 0.00 179.01 178.98 2cad h LEU 25 N -0.02 -1.24 -1.40 1.64 5.85 -1.03 -2.47 115.31 116.64 2cad h LEU 25 Ca 0.03 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2cad h LEU 25 Cb 0.15 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2cad h LEU 25 CO -0.00 -0.47 0.00 0.44 -0.34 0.00 0.00 178.44 178.06 2cad h ASP 26 N -0.61 0.00 0.44 1.25 3.32 -0.78 -2.13 116.42 117.91 2cad h ASP 26 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2cad h ASP 26 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2cad h ASP 26 CO -0.28 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 176.78 2cad n ASN 27 N -2.38 0.00 0.00 6.45 2.04 -0.72 -3.63 115.26 117.03 2cad n ASN 27 Ca -0.01 0.27 0.00 0.00 -0.44 0.00 0.00 54.58 54.41 2cad n ASN 27 Cb 0.10 -0.39 0.00 0.00 -2.53 0.00 0.00 39.78 36.96 2cad n ASN 27 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2cad n ARG 28 N -1.39 -0.17 0.05 -3.83 1.74 -0.80 -4.66 116.66 107.59 2cad n ARG 28 Ca 0.06 -0.65 -0.13 0.00 -0.77 0.00 0.00 57.85 56.36 2cad n ARG 28 Cb 0.16 -0.95 -0.09 0.00 -1.02 0.00 0.00 32.46 30.56 2cad n ARG 28 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2cad h ILE 29 N 0.13 1.10 0.20 0.55 2.04 -1.68 -2.88 117.51 116.97 2cad h ILE 29 Ca 0.00 -0.61 -0.28 0.00 1.00 0.00 0.00 64.86 64.96 2cad h ILE 29 Cb 0.15 1.50 0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2cad h ILE 29 CO 0.00 0.15 -1.29 0.40 0.00 0.00 0.00 178.15 177.41 2cad h ILE 30 N -0.37 1.29 -1.51 -0.67 2.04 -1.84 -1.28 117.51 115.16 2cad h ILE 30 Ca -0.01 -2.59 0.48 0.00 1.00 0.00 0.00 64.86 63.74 2cad h ILE 30 Cb 0.32 3.03 -0.11 0.00 -0.74 0.00 0.00 36.82 39.32 2cad h ILE 30 CO 0.02 0.77 1.02 0.50 0.00 0.00 0.00 178.15 180.46 2cad h LYS 31 N -0.08 0.04 -0.25 2.37 3.64 -1.83 -0.45 116.57 120.00 2cad h LYS 31 Ca -0.24 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2cad h LYS 31 Cb 1.94 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.76 2cad h LYS 31 CO 0.20 0.03 0.00 0.09 -2.27 0.00 0.00 179.45 177.50 2cad n ASN 32 N -4.47 3.64 0.00 4.20 4.13 -1.09 -4.98 115.26 116.69 2cad n ASN 32 Ca 0.39 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.78 2cad n ASN 32 Cb 1.62 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 39.37 2cad n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cad n GLY 33 N -0.43 0.98 0.00 7.41 0.00 -0.18 -5.04 105.19 107.93 2cad n GLY 33 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2cad n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cad n TYR 34 N -2.00 0.00 0.00 1.61 4.02 -0.50 -4.97 117.16 115.31 2cad n TYR 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2cad n TYR 34 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2cad n TYR 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2cad n SER 36 N 0.00 0.00 -0.22 7.72 3.41 -1.26 -4.21 113.62 119.06 2cad n SER 36 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2cad n SER 36 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 2cad n SER 36 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2cad h ARG 37 N 0.00 0.69 -1.04 4.33 2.43 -1.99 -2.67 114.38 116.14 2cad h ARG 37 Ca 0.00 -0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.39 2cad h ARG 37 Cb 0.00 -0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.29 2cad h ARG 37 CO 0.00 0.46 0.65 1.03 -1.51 0.00 0.00 179.97 180.60 2cad h SER 38 N 0.71 0.51 -0.05 -3.80 0.87 -2.02 -2.26 113.55 107.51 2cad h SER 38 Ca 0.26 0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.68 2cad h SER 38 Cb 0.07 0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2cad h SER 38 CO -0.13 0.08 -0.91 -0.33 -0.53 0.00 0.00 176.83 175.02 2cad h GLU 39 N 0.44 0.71 -0.21 2.24 5.08 -1.92 -2.47 114.58 118.45 2cad h GLU 39 Ca 0.62 -0.69 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2cad h GLU 39 Cb 1.45 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2cad h GLU 39 CO -0.35 1.28 -0.33 1.25 -1.00 0.00 0.00 179.01 179.86 2cad h LEU 40 N 0.40 0.44 -0.04 1.33 5.85 -1.47 -2.91 115.31 118.92 2cad h LEU 40 Ca -0.10 -0.17 -0.20 0.00 0.84 0.00 0.00 57.88 58.26 2cad h LEU 40 Cb 1.56 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.48 2cad h LEU 40 CO 0.18 0.75 -0.74 0.58 -0.34 0.00 0.00 178.44 178.87 2cad h VAL 41 N 0.37 1.35 -1.00 1.05 2.07 -1.49 -2.63 116.25 115.97 2cad h VAL 41 Ca 0.04 -2.07 0.15 0.00 0.82 0.00 0.00 66.70 65.65 2cad h VAL 41 Cb 0.77 2.38 -0.16 0.00 -1.52 0.00 0.00 31.29 32.76 2cad h VAL 41 CO 0.06 0.62 -0.39 -1.14 0.02 0.00 0.00 177.57 176.75 2cad n ARG 42 N -4.08 -0.23 -0.01 1.57 0.63 -0.93 -1.05 116.66 112.56 2cad n ARG 42 Ca -0.10 1.54 -0.04 0.00 -0.92 0.00 0.00 57.85 58.33 2cad n ARG 42 Cb 0.73 -2.28 0.20 0.00 0.45 0.00 0.00 32.46 31.56 2cad n ARG 42 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2cad h ASP 43 N 0.00 0.54 -0.43 6.15 3.32 -1.43 -1.34 116.42 123.24 2cad h ASP 43 Ca 0.35 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2cad h ASP 43 Cb 0.60 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2cad h ASP 43 CO -0.99 0.74 0.09 0.24 -1.72 0.00 0.00 179.24 177.60 2cad h MET 44 N 0.49 0.70 0.14 3.56 2.86 -0.99 -2.31 114.93 119.37 2cad h MET 44 Ca 0.08 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2cad h MET 44 Cb 0.61 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2cad h MET 44 CO 0.04 0.72 -0.07 0.82 1.06 0.00 0.00 176.91 179.48 2cad h ILE 45 N 0.56 0.96 -0.35 -1.22 2.04 -0.81 -1.85 117.51 116.84 2cad h ILE 45 Ca 0.13 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.68 2cad h ILE 45 Cb 0.34 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 2cad h ILE 45 CO 0.00 0.09 -0.14 -0.09 0.00 0.00 0.00 178.15 178.01 2cad h ARG 46 N -0.37 -0.08 -0.29 2.37 2.43 -1.30 0.62 114.38 117.77 2cad h ARG 46 Ca -0.02 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2cad h ARG 46 Cb 0.29 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2cad h ARG 46 CO 0.03 -0.05 0.03 1.49 -1.51 0.00 0.00 179.97 179.96 2cad h GLU 47 N -0.08 0.12 -0.56 0.20 4.81 -1.24 -1.27 114.58 116.56 2cad h GLU 47 Ca 0.18 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2cad h GLU 47 Cb 0.35 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2cad h GLU 47 CO -0.41 0.08 -0.05 0.87 -0.73 0.00 0.00 179.01 178.78 2cad h LYS 48 N 0.12 1.01 -0.63 1.92 1.79 -0.86 -1.23 116.57 118.69 2cad h LYS 48 Ca 0.14 -0.35 -0.07 0.00 -2.18 0.00 0.00 60.65 58.19 2cad h LYS 48 Cb 0.16 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2cad h LYS 48 CO -0.20 1.03 0.10 -0.07 -1.08 0.00 0.00 179.45 179.23 2cad h LEU 49 N 0.89 0.97 -0.00 2.94 3.38 -0.72 0.01 115.31 122.78 2cad h LEU 49 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2cad h LEU 49 Cb 0.60 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2cad h LEU 49 CO 0.04 0.96 0.00 0.58 0.09 0.00 0.00 178.44 180.11 2cad h VAL 50 N 0.96 1.18 -0.37 1.22 2.07 -1.11 -0.81 116.25 119.38 2cad h VAL 50 Ca 0.19 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.27 2cad h VAL 50 Cb 0.41 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 2cad h VAL 50 CO 0.01 0.14 -0.18 -0.33 0.02 0.00 0.00 177.57 177.23 2cad h GLU 51 N -0.22 -0.11 -0.49 1.57 5.08 -0.99 -0.17 114.58 119.24 2cad h GLU 51 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2cad h GLU 51 Cb 0.22 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2cad h GLU 51 CO 0.00 -0.07 0.25 -0.44 -1.00 0.00 0.00 179.01 177.74 2cad h ASP 52 N -0.12 0.36 -0.93 1.42 3.32 -0.95 -1.03 116.42 118.50 2cad h ASP 52 Ca 0.19 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.28 2cad h ASP 52 Cb 0.40 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 2cad h ASP 52 CO -0.45 0.25 0.61 -1.13 -1.72 0.00 0.00 179.24 176.80 2cad h ASN 53 N 0.49 1.04 0.87 6.45 -0.73 -0.61 -2.57 115.58 120.52 2cad h ASN 53 Ca 0.21 -0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.27 2cad h ASN 53 Cb 0.12 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 2cad h ASN 53 CO -0.15 0.74 -0.43 -0.50 -0.37 0.00 0.00 177.43 176.72 2cad h TRP 54 N 1.22 0.00 0.00 0.67 4.06 0.07 -3.01 115.95 118.96 2cad h TRP 54 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 2cad h TRP 54 Cb -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 2cad h TRP 54 CO -0.00 0.43 0.00 0.00 -3.56 0.00 0.00 178.44 175.31 2cad h ALA 55 N 1.57 1.00 -3.80 1.49 0.00 -0.82 -3.46 119.26 115.24 2cad h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cad h ALA 55 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2cad h ALA 55 CO 0.06 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 2cad n GLU 56 N -3.02 1.79 0.00 0.00 0.28 -1.14 -5.11 120.64 113.45 2cad n GLU 56 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2cad n GLU 56 Cb 0.38 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.25 2cad n GLU 56 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2cad n ASP 57 N -1.77 0.00 0.00 -1.84 5.68 -1.26 -5.05 116.55 112.31 2cad n ASP 57 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2cad n ASP 57 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2cad n ASP 57 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2cad n GLU 62 N 0.00 0.00 -3.92 0.11 4.71 -1.26 -5.22 120.64 115.06 2cad n GLU 62 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 2cad n GLU 62 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 31.44 30.26 2cad n GLU 62 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2cad s SER 63 N 0.00 2.21 0.19 1.62 0.15 -1.26 -4.56 113.70 112.04 2cad s SER 63 Ca 0.00 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.40 2cad s SER 63 Cb 0.00 -0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 63.41 2cad s SER 63 CO 0.00 -0.11 0.11 -0.54 1.20 0.00 0.00 173.24 173.90 2cad s LYS 64 N 1.68 2.78 -0.12 5.44 -0.14 0.15 -4.86 119.74 124.67 2cad s LYS 64 Ca 0.05 -0.97 -0.02 0.00 -1.36 0.00 0.00 55.97 53.66 2cad s LYS 64 Cb -0.13 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 2cad s LYS 64 CO -0.08 0.46 -0.05 0.42 -0.76 0.00 0.00 175.35 175.34 2cad s ILE 65 N -1.84 3.83 0.21 2.17 -1.09 -1.26 -0.90 121.20 122.32 2cad s ILE 65 Ca 0.31 -0.40 -0.08 0.00 -2.23 0.00 0.00 60.65 58.25 2cad s ILE 65 Cb -0.09 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 2cad s ILE 65 CO 0.22 0.53 0.32 0.00 -1.23 0.00 0.00 174.94 174.79 2cad s ALA 66 N -0.07 0.27 -0.14 9.38 0.00 -0.67 -2.25 121.76 128.28 2cad s ALA 66 Ca 0.01 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2cad s ALA 66 Cb -0.13 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.12 2cad s ALA 66 CO 0.03 -0.72 -0.19 0.08 0.00 0.00 0.00 175.76 174.96 2cad s VAL 67 N -4.05 1.85 -0.19 0.00 1.01 -0.37 -0.15 120.40 118.49 2cad s VAL 67 Ca 0.26 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 2cad s VAL 67 Cb 0.03 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2cad s VAL 67 CO 0.08 0.51 0.34 -0.22 0.00 0.00 0.00 175.10 175.80 2cad s LEU 68 N 1.00 4.18 -0.24 3.92 2.96 0.58 -0.52 118.68 130.56 2cad s LEU 68 Ca -0.04 0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 54.28 2cad s LEU 68 Cb -0.15 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 2cad s LEU 68 CO -0.04 0.00 0.04 -0.69 -1.32 0.00 0.00 176.35 174.35 2cad s VAL 69 N 0.97 4.11 -0.06 1.68 1.01 0.06 -0.63 120.40 127.54 2cad s VAL 69 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2cad s VAL 69 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2cad s VAL 69 CO 0.06 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.66 2cad s VAL 70 N 1.55 1.52 -0.19 2.92 1.01 -0.71 -0.65 120.40 125.85 2cad s VAL 70 Ca 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2cad s VAL 70 Cb -0.15 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2cad s VAL 70 CO 0.02 0.44 -0.05 -0.63 0.00 0.00 0.00 175.10 174.88 2cad s ILE 71 N 0.28 3.47 0.08 2.22 1.01 -0.39 -1.08 121.20 126.79 2cad s ILE 71 Ca -0.10 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2cad s ILE 71 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 2cad s ILE 71 CO 0.04 0.45 0.13 -0.72 0.00 0.00 0.00 174.94 174.85 2cad s TYR 72 N 1.05 0.24 -0.39 3.97 -0.85 0.12 -0.60 117.35 120.88 2cad s TYR 72 Ca 0.01 -0.69 -0.22 0.00 -0.52 0.00 0.00 57.07 55.65 2cad s TYR 72 Cb -0.15 -0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.07 2cad s TYR 72 CO -0.00 -0.50 0.71 0.34 -1.52 0.00 0.00 175.55 174.58 2cad s ASP 73 N -2.84 6.43 0.17 -0.18 2.15 -0.41 -0.07 116.67 121.92 2cad s ASP 73 Ca 0.05 0.04 0.23 0.00 0.43 0.00 0.00 52.55 53.30 2cad s ASP 73 Cb 0.05 -2.35 0.90 0.00 -0.30 0.00 0.00 42.92 41.22 2cad s ASP 73 CO -0.10 -0.74 1.71 0.00 -0.17 0.00 0.00 175.17 175.87 2cad n HIS 74 N 6.33 0.61 0.25 -5.34 1.44 -0.68 -2.26 115.22 115.58 2cad n HIS 74 Ca 0.00 0.22 0.13 0.00 -2.01 0.00 0.00 57.72 56.06 2cad n HIS 74 Cb 0.48 -0.85 0.63 0.00 0.12 0.00 0.00 29.99 30.37 2cad n HIS 74 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2cad h HIS 75 N 0.00 0.00 -1.94 -1.40 3.86 -1.88 -3.42 115.15 110.38 2cad h HIS 75 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 2cad h HIS 75 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2cad h HIS 75 CO 0.00 0.14 1.47 1.04 0.86 0.00 0.00 177.93 181.44 2cad n GLN 76 N -3.43 1.96 -0.20 2.45 1.13 -0.96 -4.87 117.38 113.47 2cad n GLN 76 Ca -0.01 0.55 -0.12 0.00 -1.94 0.00 0.00 57.00 55.48 2cad n GLN 76 Cb 0.32 -3.16 -0.09 0.00 0.11 0.00 0.00 30.24 27.42 2cad n GLN 76 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2cad h ARG 77 N 14.54 -0.29 -0.62 -1.09 0.11 -1.90 -2.58 114.38 122.55 2cad h ARG 77 Ca -0.41 0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.69 2cad h ARG 77 Cb 1.25 0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2cad h ARG 77 CO 0.96 -0.19 0.00 -0.85 0.10 0.00 0.00 179.97 179.99 2cad n GLU 78 N -5.36 3.24 -0.05 0.08 0.28 -1.26 -4.69 120.64 112.88 2cad n GLU 78 Ca -0.02 -2.71 -0.12 0.00 -0.16 0.00 0.00 57.16 54.16 2cad n GLU 78 Cb 0.33 -1.70 -0.06 0.00 1.43 0.00 0.00 31.44 31.44 2cad n GLU 78 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2cad h LEU 79 N 3.79 0.29 -0.26 -1.84 5.85 -1.83 -1.53 115.31 119.79 2cad h LEU 79 Ca 0.00 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2cad h LEU 79 Cb 1.20 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2cad h LEU 79 CO 0.12 0.56 0.12 -1.13 -0.34 0.00 0.00 178.44 177.78 2cad h ASN 80 N 0.01 0.34 -0.97 1.25 -1.24 -1.84 0.12 115.58 113.25 2cad h ASN 80 Ca 0.04 -0.13 0.01 0.00 0.71 0.00 0.00 56.30 56.93 2cad h ASN 80 Cb 0.43 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 39.34 2cad h ASN 80 CO 0.01 0.38 0.64 -0.61 -1.29 0.00 0.00 177.43 176.56 2cad h GLN 81 N 0.28 1.27 -0.38 6.67 5.75 -1.90 -1.03 115.11 125.78 2cad h GLN 81 Ca 0.09 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2cad h GLN 81 Cb 0.13 -0.29 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 2cad h GLN 81 CO -0.01 0.84 0.13 -0.09 -2.65 0.00 0.00 178.83 177.05 2cad h ARG 82 N 1.31 0.28 -0.70 1.69 1.12 -0.75 0.11 114.38 117.43 2cad h ARG 82 Ca 0.36 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.23 2cad h ARG 82 Cb -0.14 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 29.72 2cad h ARG 82 CO -0.08 0.18 0.46 0.52 -3.11 0.00 0.00 179.97 177.94 2cad h MET 83 N 0.29 0.89 -0.40 0.20 2.86 -0.21 -0.35 114.93 118.21 2cad h MET 83 Ca 0.17 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2cad h MET 83 Cb 0.15 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2cad h MET 83 CO -0.18 0.59 0.23 0.82 1.06 0.00 0.00 176.91 179.43 2cad h ILE 84 N 0.92 1.15 -0.30 -1.22 2.04 -0.86 -1.01 117.51 118.23 2cad h ILE 84 Ca 0.27 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2cad h ILE 84 Cb -0.06 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2cad h ILE 84 CO -0.08 0.15 0.13 0.44 0.00 0.00 0.00 178.15 178.80 2cad h ASP 85 N 0.52 0.40 -0.44 1.72 3.32 -0.54 0.71 116.42 122.12 2cad h ASP 85 Ca 0.14 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2cad h ASP 85 Cb 0.05 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 2cad h ASP 85 CO -0.02 0.44 0.07 0.40 -1.72 0.00 0.00 179.24 178.41 2cad h ILE 86 N 0.34 0.75 -0.38 0.35 2.04 -0.94 -0.84 117.51 118.82 2cad h ILE 86 Ca 0.10 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 2cad h ILE 86 Cb 0.16 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2cad h ILE 86 CO -0.01 0.04 0.01 -0.61 0.00 0.00 0.00 178.15 177.57 2cad h GLN 87 N 0.20 0.67 -0.57 2.37 -0.00 -0.93 0.37 115.11 117.23 2cad h GLN 87 Ca 0.22 -0.21 0.02 0.00 -0.00 0.00 0.00 58.65 58.68 2cad h GLN 87 Cb 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 27.48 27.66 2cad h GLN 87 CO -0.30 0.77 0.35 0.45 0.00 0.00 0.00 178.83 180.11 2cad h HIS 88 N 0.50 0.66 0.00 3.99 3.86 -0.65 -2.32 115.15 121.20 2cad h HIS 88 Ca 0.11 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2cad h HIS 88 Cb 0.46 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2cad h HIS 88 CO 0.04 0.39 0.00 0.00 0.86 0.00 0.00 177.93 179.21 2cad h ALA 89 N 1.24 1.00 0.00 2.45 0.00 -0.83 -3.14 119.26 119.98 2cad h ALA 89 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2cad h ALA 89 Cb -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2cad h ALA 89 CO -0.09 0.00 -0.03 0.66 0.00 0.00 0.00 179.25 179.79 2cad h SER 90 N 0.00 0.00 0.00 0.00 4.64 -0.33 -3.47 113.55 114.39 2cad h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cad h SER 90 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2cad h SER 90 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2cad n GLY 91 N 0.12 2.40 3.78 -0.77 0.00 -1.19 -4.75 105.19 104.80 2cad n GLY 91 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2cad n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cad s THR 92 N -2.61 3.46 -0.22 2.61 -4.23 -1.26 -4.93 115.64 108.47 2cad s THR 92 Ca 0.00 0.86 -0.10 0.00 -1.18 0.00 0.00 61.69 61.27 2cad s THR 92 Cb 0.00 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 2cad s THR 92 CO 0.00 -0.24 0.15 -1.00 -0.54 0.00 0.00 174.62 172.99 2cad s HIS 93 N -1.97 3.37 -0.34 3.99 0.09 0.17 -4.82 115.29 115.78 2cad s HIS 93 Ca 0.69 0.29 -0.23 0.00 -0.00 0.00 0.00 55.06 55.81 2cad s HIS 93 Cb -0.20 -2.22 0.00 0.00 -0.00 0.00 0.00 32.58 30.17 2cad s HIS 93 CO 0.27 0.19 0.78 0.08 -0.00 0.00 0.00 174.74 176.05 2cad s VAL 94 N 0.68 4.77 0.04 -0.90 1.01 -1.26 -0.05 120.40 124.69 2cad s VAL 94 Ca 0.08 1.00 0.09 0.00 0.00 0.00 0.00 61.98 63.16 2cad s VAL 94 Cb -0.12 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 31.91 2cad s VAL 94 CO 0.01 -0.34 1.17 -0.07 0.00 0.00 0.00 175.10 175.87 2cad h LEU 95 N 9.59 0.00 -7.00 3.92 3.38 -1.04 -3.49 115.31 120.68 2cad h LEU 95 Ca -0.25 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.92 2cad h LEU 95 Cb 1.10 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.54 2cad h LEU 95 CO 0.89 0.92 0.87 0.00 0.09 0.00 0.00 178.44 181.21 2cad s THR 97 N -0.27 0.72 -0.08 0.00 2.01 -1.26 -1.05 115.64 115.72 2cad s THR 97 Ca 0.07 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.82 2cad s THR 97 Cb -0.04 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 2cad s THR 97 CO -0.13 0.24 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.94 2cad s THR 98 N 0.42 2.39 -0.07 -0.82 2.01 -0.58 -4.98 115.64 114.01 2cad s THR 98 Ca -0.06 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.03 2cad s THR 98 Cb -0.11 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.50 2cad s THR 98 CO 0.01 0.56 -0.17 -2.28 -0.69 0.00 0.00 174.62 172.05 2cad s HIS 99 N -0.08 1.83 -0.15 4.92 2.46 -1.26 -0.83 115.29 122.18 2cad s HIS 99 Ca -0.05 -0.67 -0.01 0.00 0.47 0.00 0.00 55.06 54.80 2cad s HIS 99 Cb -0.14 -1.27 -0.01 0.00 -0.13 0.00 0.00 32.58 31.02 2cad s HIS 99 CO 0.04 -0.29 -0.11 0.42 -2.47 0.00 0.00 174.74 172.33 2cad s ILE 100 N 0.43 3.16 -1.03 0.89 -1.09 0.88 -4.99 121.20 119.45 2cad s ILE 100 Ca -0.13 -0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 57.48 2cad s ILE 100 Cb -0.16 -2.36 0.10 0.00 -1.58 0.00 0.00 42.46 38.47 2cad s ILE 100 CO 0.05 0.50 1.33 -1.00 -1.23 0.00 0.00 174.94 174.59 2cad s HIS 101 N 0.62 2.95 0.05 3.97 3.76 -1.26 -1.92 115.29 123.45 2cad s HIS 101 Ca -0.06 -1.34 -0.26 0.00 -0.15 0.00 0.00 55.06 53.25 2cad s HIS 101 Cb -0.15 -4.47 -0.17 0.00 1.11 0.00 0.00 32.58 28.90 2cad s HIS 101 CO 0.03 -1.65 1.53 0.52 -0.85 0.00 0.00 174.74 174.31 2cad h MET 102 N 8.80 -0.29 0.00 1.40 0.00 -1.65 -3.48 114.93 119.71 2cad h MET 102 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.94 2cad h MET 102 Cb 0.98 0.07 0.00 0.00 0.00 0.00 0.00 31.60 32.65 2cad h MET 102 CO 1.26 -0.08 0.00 -0.40 0.00 0.00 0.00 176.91 177.69 2cad n ASP 103 N -5.15 0.00 0.07 1.22 5.68 -1.02 -5.00 116.55 112.35 2cad n ASP 103 Ca -0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.18 2cad n ASP 103 Cb 0.19 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.41 2cad n ASP 103 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2cad h GLU 104 N 0.00 0.32 0.00 0.11 3.07 -2.02 -3.30 114.58 112.76 2cad h GLU 104 Ca 0.00 -0.13 -0.17 0.00 -0.50 0.00 0.00 59.36 58.56 2cad h GLU 104 Cb 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 2cad h GLU 104 CO 0.00 0.61 -1.52 0.72 -1.40 0.00 0.00 179.01 177.42 2cad n HIS 105 N -4.09 0.00 -2.33 4.33 8.25 -1.26 -4.82 115.22 115.30 2cad n HIS 105 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2cad n HIS 105 Cb 0.43 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 2cad n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2cad s ASN 106 N -6.47 6.94 -0.08 0.41 0.01 -1.24 -1.68 114.94 112.83 2cad s ASN 106 Ca -0.30 1.99 0.02 0.00 -0.71 0.00 0.00 52.86 53.85 2cad s ASN 106 Cb 0.08 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 2cad s ASN 106 CO 0.42 -0.66 -0.11 0.00 -1.51 0.00 0.00 177.10 175.24 2cad s LEU 108 N -0.49 2.91 0.01 0.00 0.20 -0.81 -0.71 118.68 119.79 2cad s LEU 108 Ca 0.07 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.74 2cad s LEU 108 Cb -0.12 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2cad s LEU 108 CO 0.02 0.25 -0.16 -1.61 -0.29 0.00 0.00 176.35 174.56 2cad s GLU 109 N -0.15 1.23 -0.23 1.98 2.02 -0.24 -0.09 118.70 123.22 2cad s GLU 109 Ca 0.00 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 2cad s GLU 109 Cb -0.13 -1.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.86 2cad s GLU 109 CO 0.03 0.32 -0.02 0.95 0.02 0.00 0.00 175.26 176.57 2cad s THR 110 N -0.57 3.53 -0.24 3.63 -4.23 -0.01 -1.74 115.64 116.01 2cad s THR 110 Ca 0.05 -0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 2cad s THR 110 Cb -0.07 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.15 2cad s THR 110 CO 0.00 0.38 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.77 2cad s ILE 111 N 1.50 2.95 -0.27 2.99 1.01 0.20 -1.52 121.20 128.05 2cad s ILE 111 Ca 0.05 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 2cad s ILE 111 Cb -0.15 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2cad s ILE 111 CO -0.02 0.26 0.52 -0.63 0.00 0.00 0.00 174.94 175.07 2cad s ILE 112 N 1.36 5.05 0.02 2.92 1.01 -0.21 -0.31 121.20 131.04 2cad s ILE 112 Ca 0.02 0.82 0.08 0.00 0.00 0.00 0.00 60.65 61.57 2cad s ILE 112 Cb -0.16 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2cad s ILE 112 CO -0.05 0.04 -0.22 -0.76 0.00 0.00 0.00 174.94 173.95 2cad s LEU 113 N 2.34 2.36 -0.08 2.97 1.43 0.79 -0.33 118.68 128.16 2cad s LEU 113 Ca 0.21 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2cad s LEU 113 Cb -0.16 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.67 2cad s LEU 113 CO 0.10 0.28 -0.14 -1.58 0.23 0.00 0.00 176.35 175.23 2cad s GLN 114 N -1.16 1.95 0.00 1.70 0.74 0.92 -1.67 119.66 122.14 2cad s GLN 114 Ca 0.12 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.04 2cad s GLN 114 Cb -0.10 -1.60 0.00 0.00 1.10 0.00 0.00 33.01 32.41 2cad s GLN 114 CO 0.03 0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 2cad n GLY 115 N 3.87 -1.55 3.85 2.59 0.00 -0.08 0.45 105.19 114.33 2cad n GLY 115 Ca -0.21 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2cad n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cad s ASN 116 N -2.90 6.35 0.43 1.61 2.20 -1.26 0.31 114.94 121.70 2cad s ASN 116 Ca 0.00 1.53 0.17 0.00 -0.94 0.00 0.00 52.86 53.62 2cad s ASN 116 Cb 0.00 -2.49 0.99 0.00 -2.00 0.00 0.00 41.25 37.74 2cad s ASN 116 CO 0.00 -0.78 1.94 0.77 -2.94 0.00 0.00 177.10 176.10 2cad h SER 117 N 0.33 0.00 0.71 3.54 4.64 -1.92 -2.39 113.55 118.45 2cad h SER 117 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2cad h SER 117 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2cad h SER 117 CO 0.61 0.24 -0.34 -0.26 -0.87 0.00 0.00 176.83 176.21 2cad h PHE 118 N 0.00 -0.89 -0.80 4.77 0.04 -1.92 -1.45 116.94 116.69 2cad h PHE 118 Ca -0.00 -0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.93 2cad h PHE 118 Cb 0.46 0.29 -0.14 0.00 2.20 0.00 0.00 35.95 38.76 2cad h PHE 118 CO 0.00 -0.55 -0.03 0.93 -0.60 0.00 0.00 178.31 178.06 2cad h GLU 119 N -1.25 0.07 -0.11 1.51 5.08 -1.83 0.17 114.58 118.21 2cad h GLU 119 Ca -0.10 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2cad h GLU 119 Cb 0.74 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2cad h GLU 119 CO 0.16 0.04 -0.14 0.82 -1.00 0.00 0.00 179.01 178.90 2cad h ILE 120 N 0.07 1.37 -0.43 3.13 2.04 -1.44 -1.71 117.51 120.53 2cad h ILE 120 Ca 0.44 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 2cad h ILE 120 Cb 0.78 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 2cad h ILE 120 CO -0.74 0.38 0.09 -0.61 0.00 0.00 0.00 178.15 177.28 2cad h GLN 121 N -0.12 0.65 0.06 2.37 -0.00 -0.79 -2.31 115.11 114.98 2cad h GLN 121 Ca 0.01 -0.12 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2cad h GLN 121 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.06 2cad h GLN 121 CO 0.03 0.60 -0.03 -0.09 0.00 0.00 0.00 178.83 179.34 2cad h ARG 122 N 0.63 -0.08 -0.74 1.69 2.43 -0.59 -1.96 114.38 115.76 2cad h ARG 122 Ca 0.14 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.45 2cad h ARG 122 Cb 0.26 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.73 2cad h ARG 122 CO -0.00 0.11 0.29 1.25 -1.51 0.00 0.00 179.97 180.11 2cad h LEU 123 N -0.26 0.28 -0.03 3.80 5.85 -1.18 0.24 115.31 124.01 2cad h LEU 123 Ca -0.01 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2cad h LEU 123 Cb 0.22 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2cad h LEU 123 CO 0.01 0.11 0.02 -0.61 -0.34 0.00 0.00 178.44 177.63 2cad h GLN 124 N 0.45 0.04 0.19 1.25 -0.00 -1.24 -1.50 115.11 114.31 2cad h GLN 124 Ca 0.40 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.04 2cad h GLN 124 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.07 2cad h GLN 124 CO -0.39 0.08 -0.09 -0.07 0.00 0.00 0.00 178.83 178.35 2cad h LEU 125 N -0.00 -0.22 -0.80 -2.39 3.38 -0.52 -0.21 115.31 114.55 2cad h LEU 125 Ca 0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2cad h LEU 125 Cb 0.05 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 2cad h LEU 125 CO -0.00 -0.15 0.42 -0.33 0.09 0.00 0.00 178.44 178.46 2cad h GLU 126 N -0.27 0.63 -0.08 1.13 5.08 -0.54 -2.46 114.58 118.09 2cad h GLU 126 Ca -0.03 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 2cad h GLU 126 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2cad h GLU 126 CO 0.04 0.42 -0.80 0.82 -1.00 0.00 0.00 179.01 178.49 2cad h ILE 127 N 0.65 1.35 0.00 3.13 2.04 -1.04 -3.10 117.51 120.54 2cad h ILE 127 Ca 0.42 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2cad h ILE 127 Cb 0.51 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2cad h ILE 127 CO -0.31 0.66 -0.06 1.23 0.00 0.00 0.00 178.15 179.67 2cad h GLY 128 N 1.04 0.00 1.11 5.37 0.00 -0.66 -2.66 103.07 107.28 2cad h GLY 128 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2cad h GLY 128 CO 0.15 0.00 -0.12 0.61 0.00 0.00 0.00 176.54 177.18 2cad n GLY 129 N -0.37 -1.07 3.74 4.60 0.00 -0.96 -4.90 105.19 106.23 2cad n GLY 129 Ca -0.01 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2cad n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cad s LEU 130 N -2.59 4.55 0.16 0.99 1.43 -1.01 -5.00 118.68 117.21 2cad s LEU 130 Ca 0.26 1.76 -0.31 0.00 -1.03 0.00 0.00 54.13 54.80 2cad s LEU 130 Cb 0.20 -3.49 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 2cad s LEU 130 CO 0.50 0.05 1.36 -0.60 0.23 0.00 0.00 176.35 177.89 2cad s ARG 131 N -0.50 4.34 0.00 1.70 6.06 -1.26 -2.09 118.95 127.20 2cad s ARG 131 Ca 0.42 2.09 0.00 0.00 -2.50 0.00 0.00 55.73 55.74 2cad s ARG 131 Cb -0.24 -3.21 0.00 0.00 0.06 0.00 0.00 34.95 31.57 2cad s ARG 131 CO 0.29 -0.36 0.00 0.41 -2.50 0.00 0.00 175.30 173.14 2cad n GLY 132 N 2.89 2.44 3.60 8.12 0.00 -1.26 -4.97 105.19 116.02 2cad n GLY 132 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2cad n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cad s VAL 133 N -2.39 4.60 -0.67 1.61 1.01 -0.89 -1.29 120.40 122.39 2cad s VAL 133 Ca 0.00 1.13 0.22 0.00 0.00 0.00 0.00 61.98 63.33 2cad s VAL 133 Cb 0.00 -4.32 -0.20 0.00 0.00 0.00 0.00 36.38 31.86 2cad s VAL 133 CO 0.00 -0.53 0.88 0.29 0.00 0.00 0.00 175.10 175.74 2cad n LYS 134 N 6.74 0.24 -3.64 2.72 5.02 0.23 -4.84 118.16 124.63 2cad n LYS 134 Ca 0.06 -0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.24 2cad n LYS 134 Cb 0.48 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 2cad n LYS 134 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2cad s PHE 135 N -3.18 -0.86 -0.27 2.13 5.36 -1.05 -4.94 117.98 115.17 2cad s PHE 135 Ca 0.03 1.78 0.00 0.00 -0.96 0.00 0.00 56.93 57.79 2cad s PHE 135 Cb 0.15 0.49 0.16 0.00 -0.34 0.00 0.00 43.02 43.48 2cad s PHE 135 CO 0.85 -0.42 0.43 0.00 -1.46 0.00 0.00 175.22 174.61 2cad s ALA 136 N 1.28 -1.34 -0.03 11.12 0.00 -1.25 -1.26 121.76 130.29 2cad s ALA 136 Ca -0.07 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.56 2cad s ALA 136 Cb -0.05 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2cad s ALA 136 CO -0.15 -1.55 -0.06 0.21 0.00 0.00 0.00 175.76 174.21 2cad s LYS 137 N 2.59 0.76 -0.10 0.00 2.20 0.17 -4.93 119.74 120.43 2cad s LYS 137 Ca 0.12 -0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.42 2cad s LYS 137 Cb -0.14 -0.74 -0.05 0.00 -1.51 0.00 0.00 37.83 35.40 2cad s LYS 137 CO -0.24 0.05 0.25 -1.17 -0.36 0.00 0.00 175.35 173.88 2cad s LEU 138 N 0.36 4.37 -0.29 5.43 2.96 -1.26 -0.76 118.68 129.49 2cad s LEU 138 Ca -0.05 0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 54.39 2cad s LEU 138 Cb -0.09 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2cad s LEU 138 CO 0.00 0.29 0.09 -0.89 -1.32 0.00 0.00 176.35 174.53 2cad s THR 139 N -0.58 4.13 0.12 3.68 2.01 0.32 -4.99 115.64 120.33 2cad s THR 139 Ca 0.17 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 2cad s THR 139 Cb -0.13 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 2cad s THR 139 CO 0.06 0.12 0.41 -0.54 -0.69 0.00 0.00 174.62 173.98 2cad s LYS 140 N 1.54 3.71 0.07 4.92 1.02 -1.26 -1.24 119.74 128.50 2cad s LYS 140 Ca 0.04 0.09 0.05 0.00 0.02 0.00 0.00 55.97 56.17 2cad s LYS 140 Cb -0.17 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2cad s LYS 140 CO 0.03 0.50 -0.15 0.00 -0.92 0.00 0.00 175.35 174.81 2cad s ALA 141 N -1.54 1.24 0.07 5.17 0.00 -0.95 -4.99 121.76 120.75 2cad s ALA 141 Ca 0.38 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.40 2cad s ALA 141 Cb -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2cad s ALA 141 CO 0.21 0.19 -0.21 -1.12 0.00 0.00 0.00 175.76 174.83 2cad s SER 142 N -1.70 2.52 0.52 0.00 0.01 -1.26 -4.40 113.70 109.40 2cad s SER 142 Ca -0.01 -0.60 0.18 0.00 1.31 0.00 0.00 55.95 56.83 2cad s SER 142 Cb -0.10 -0.18 1.31 0.00 0.21 0.00 0.00 66.02 67.26 2cad s SER 142 CO 0.02 0.12 2.14 0.77 0.41 0.00 0.00 173.24 176.71 2cad h SER 143 N 4.52 0.00 -0.03 2.44 4.64 -1.97 0.34 113.55 123.50 2cad h SER 143 Ca -0.44 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2cad h SER 143 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2cad h SER 143 CO 0.42 0.02 0.07 2.19 -0.87 0.00 0.00 176.83 178.66 2cad h PHE 144 N 0.00 0.00 0.00 4.77 -5.15 -1.96 0.11 116.94 114.71 2cad h PHE 144 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2cad h PHE 144 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.21 2cad h PHE 144 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 178.31 177.24 2cad h GLU 145 N 0.00 0.00 0.00 6.09 5.08 -1.34 -3.40 114.58 121.01 2cad h GLU 145 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2cad h GLU 145 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2cad h GLU 145 CO -0.00 0.00 0.00 2.48 -1.00 0.00 0.00 179.01 180.49 2cad n TYR 146 N -2.99 0.00 1.31 4.33 0.18 -0.53 -5.07 117.16 114.39 2cad n TYR 146 Ca 0.03 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.91 2cad n TYR 146 Cb 0.41 0.00 0.62 0.00 -0.38 0.00 0.00 39.34 39.99 2cad n TYR 146 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87