#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbp s VAL 2 N 0.00 3.74 -0.04 0.00 1.01 -1.26 -0.83 120.40 123.02 2cbp s VAL 2 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2cbp s VAL 2 Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2cbp s VAL 2 CO 0.00 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 2cbp s TYR 3 N -0.47 1.99 -0.43 5.22 1.51 -0.14 -4.98 117.35 120.05 2cbp s TYR 3 Ca 0.07 -0.52 -0.16 0.00 -1.01 0.00 0.00 57.07 55.45 2cbp s TYR 3 Cb -0.12 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2cbp s TYR 3 CO 0.02 -0.14 0.37 0.08 -1.11 0.00 0.00 175.55 174.77 2cbp s VAL 4 N -0.19 5.20 0.06 0.71 1.01 -1.26 -0.36 120.40 125.57 2cbp s VAL 4 Ca -0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 61.98 60.96 2cbp s VAL 4 Cb -0.11 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 2cbp s VAL 4 CO 0.02 -0.43 1.81 0.52 0.00 0.00 0.00 175.10 177.01 2cbp n VAL 5 N 5.25 0.38 -0.99 2.92 0.31 -0.63 -1.37 118.33 124.21 2cbp n VAL 5 Ca -0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2cbp n VAL 5 Cb 0.46 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 2cbp n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cbp n GLY 6 N 4.13 0.59 7.00 2.92 0.00 -1.26 -3.32 105.19 115.25 2cbp n GLY 6 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2cbp n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cbp n GLY 7 N -2.48 3.18 0.28 -0.02 0.00 -0.47 -2.32 105.19 103.37 2cbp n GLY 7 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 46.02 45.89 2cbp n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cbp h SER 8 N 7.17 0.00 1.56 1.61 0.02 -1.90 -2.30 113.55 119.71 2cbp h SER 8 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cbp h SER 8 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2cbp h SER 8 CO 0.00 0.07 0.00 1.23 -1.14 0.00 0.00 176.83 176.99 2cbp h GLY 9 N 1.01 0.00 0.00 -3.77 0.00 -1.80 -3.50 103.07 95.01 2cbp h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2cbp h GLY 9 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2cbp n GLY 10 N 1.23 -0.54 3.60 4.60 0.00 -0.87 -4.61 105.19 108.60 2cbp n GLY 10 Ca 0.05 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2cbp n GLY 10 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2cbp s TRP 11 N 0.00 2.44 0.06 1.61 -0.00 -0.57 -4.12 118.94 118.36 2cbp s TRP 11 Ca 0.00 0.66 -0.01 0.00 -0.00 0.00 0.00 56.10 56.75 2cbp s TRP 11 Cb 0.00 -4.34 0.00 0.00 -0.00 0.00 0.00 33.47 29.13 2cbp s TRP 11 CO 0.00 -1.88 0.09 -2.37 -0.00 0.00 0.00 176.95 172.79 2cbp n THR 12 N 7.04 0.00 -1.77 5.86 5.66 -1.26 -4.73 114.28 125.08 2cbp n THR 12 Ca 0.16 -0.23 -0.35 0.00 -3.05 0.00 0.00 64.05 60.58 2cbp n THR 12 Cb 0.48 0.16 0.06 0.00 -1.55 0.00 0.00 70.33 69.48 2cbp n THR 12 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2cbp s PHE 13 N -5.78 2.32 -1.51 1.09 0.08 -1.26 -3.48 117.98 109.45 2cbp s PHE 13 Ca 0.04 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.55 2cbp s PHE 13 Cb -0.00 -3.41 0.07 0.00 -0.57 0.00 0.00 43.02 39.10 2cbp s PHE 13 CO 0.03 -2.23 0.73 0.09 -0.10 0.00 0.00 175.22 173.74 2cbp n ASN 14 N -2.14 -2.61 -0.96 1.36 4.13 -1.14 -4.83 115.26 109.06 2cbp n ASN 14 Ca 0.13 -0.91 0.11 0.00 1.68 0.00 0.00 54.58 55.59 2cbp n ASN 14 Cb 0.50 -3.40 0.27 0.00 -1.54 0.00 0.00 39.78 35.61 2cbp n ASN 14 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2cbp n THR 15 N -4.47 0.45 -0.32 3.41 -1.04 -0.93 -4.52 114.28 106.86 2cbp n THR 15 Ca -0.10 -0.63 0.14 0.00 -2.04 0.00 0.00 64.05 61.42 2cbp n THR 15 Cb 0.59 0.71 0.33 0.00 -1.82 0.00 0.00 70.33 70.14 2cbp n THR 15 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2cbp h GLU 16 N 3.64 0.47 -0.19 -2.82 5.08 -1.60 -2.22 114.58 116.95 2cbp h GLU 16 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2cbp h GLU 16 Cb 0.81 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2cbp h GLU 16 CO 0.00 0.31 0.00 -1.13 -1.00 0.00 0.00 179.01 177.19 2cbp n SER 17 N -4.97 2.60 -0.22 1.42 3.41 -1.26 -4.54 113.62 110.06 2cbp n SER 17 Ca 0.23 -1.85 0.02 0.00 -0.26 0.00 0.00 58.87 57.02 2cbp n SER 17 Cb 0.67 -0.11 0.13 0.00 -0.26 0.00 0.00 64.21 64.64 2cbp n SER 17 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2cbp h TRP 18 N 3.66 0.23 0.00 7.33 7.01 -1.73 -1.77 115.95 130.69 2cbp h TRP 18 Ca 0.00 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2cbp h TRP 18 Cb 0.79 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.85 2cbp h TRP 18 CO 0.11 -0.04 -0.01 -1.35 -2.79 0.00 0.00 178.44 174.36 2cbp h PRO 19 N 0.27 0.00 -6.31 2.65 0.11 -1.80 -3.44 132.00 123.47 2cbp h PRO 19 Ca 0.35 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.86 2cbp h PRO 19 Cb 0.55 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.68 2cbp h PRO 19 CO -0.44 0.01 1.07 1.17 -0.21 0.00 0.00 178.00 179.60 2cbp n LYS 20 N -3.31 2.23 -0.90 1.05 4.81 -0.67 -1.47 118.16 119.89 2cbp n LYS 20 Ca -0.03 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2cbp n LYS 20 Cb 0.10 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.49 2cbp n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cbp n GLY 21 N 4.28 0.51 3.68 3.14 0.00 -1.26 -5.05 105.19 110.49 2cbp n GLY 21 Ca 0.22 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2cbp n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cbp s LYS 22 N -0.66 2.71 -0.28 1.61 1.02 -0.54 -5.09 119.74 118.51 2cbp s LYS 22 Ca 0.00 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.33 2cbp s LYS 22 Cb 0.00 -2.63 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 2cbp s LYS 22 CO 0.00 0.60 -0.06 1.03 -0.92 0.00 0.00 175.35 176.00 2cbp s ARG 23 N -1.74 2.27 0.18 1.68 0.52 -1.26 -5.02 118.95 115.58 2cbp s ARG 23 Ca 0.21 -1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 54.05 2cbp s ARG 23 Cb -0.12 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 2cbp s ARG 23 CO 0.12 -0.61 0.38 -0.06 0.02 0.00 0.00 175.30 175.14 2cbp s PHE 24 N 1.15 3.48 0.10 -0.53 0.08 -1.26 -5.04 117.98 115.96 2cbp s PHE 24 Ca -0.06 0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.48 2cbp s PHE 24 Cb -0.20 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 2cbp s PHE 24 CO -0.04 0.41 -0.23 1.03 -0.10 0.00 0.00 175.22 176.29 2cbp s ARG 25 N -3.06 1.23 0.33 0.44 0.52 -1.26 -1.09 118.95 116.05 2cbp s ARG 25 Ca 0.39 -1.18 -0.29 0.00 -0.52 0.00 0.00 55.73 54.13 2cbp s ARG 25 Cb -0.11 -1.54 -0.12 0.00 0.52 0.00 0.00 34.95 33.70 2cbp s ARG 25 CO 0.28 0.36 1.43 0.00 0.02 0.00 0.00 175.30 177.39 2cbp n ALA 26 N 1.14 1.85 0.00 2.13 0.00 -1.26 -1.29 120.51 123.07 2cbp n ALA 26 Ca -0.19 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2cbp n ALA 26 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2cbp n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cbp n GLY 27 N 1.15 2.37 3.71 0.00 0.00 0.14 -4.99 105.19 107.57 2cbp n GLY 27 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2cbp n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cbp s ASP 28 N -1.50 3.57 -0.07 1.61 1.01 -0.42 -4.57 116.67 116.30 2cbp s ASP 28 Ca 0.00 2.11 0.05 0.00 0.71 0.00 0.00 52.55 55.42 2cbp s ASP 28 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2cbp s ASP 28 CO 0.00 -2.67 -0.24 -0.63 0.21 0.00 0.00 175.17 171.84 2cbp s ILE 29 N -2.62 2.16 -0.19 0.77 1.01 -0.01 0.16 121.20 122.49 2cbp s ILE 29 Ca 0.66 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 2cbp s ILE 29 Cb -0.22 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2cbp s ILE 29 CO 0.55 0.57 0.04 -0.76 0.00 0.00 0.00 174.94 175.34 2cbp s LEU 30 N -0.09 3.63 -0.23 2.97 1.43 0.82 -0.96 118.68 126.24 2cbp s LEU 30 Ca -0.05 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2cbp s LEU 30 Cb -0.14 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2cbp s LEU 30 CO 0.04 0.14 -0.01 -0.22 0.23 0.00 0.00 176.35 176.53 2cbp s LEU 31 N 0.58 3.05 -0.28 1.79 2.96 0.51 -0.07 118.68 127.23 2cbp s LEU 31 Ca 0.02 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2cbp s LEU 31 Cb -0.13 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.77 2cbp s LEU 31 CO 0.02 -0.02 0.06 -0.36 -1.32 0.00 0.00 176.35 174.72 2cbp s PHE 32 N 1.51 3.11 -0.18 5.38 0.40 0.42 -1.60 117.98 127.03 2cbp s PHE 32 Ca 0.06 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.42 2cbp s PHE 32 Cb -0.14 -2.22 -0.02 0.00 0.51 0.00 0.00 43.02 41.14 2cbp s PHE 32 CO -0.01 -0.55 -0.03 -0.80 0.70 0.00 0.00 175.22 174.52 2cbp s ASN 33 N 1.50 4.65 0.09 1.36 0.01 -1.26 -1.39 114.94 119.89 2cbp s ASN 33 Ca 0.03 -0.22 -0.27 0.00 -0.71 0.00 0.00 52.86 51.70 2cbp s ASN 33 Cb -0.17 -1.77 0.09 0.00 0.41 0.00 0.00 41.25 39.81 2cbp s ASN 33 CO 0.01 0.10 1.11 -0.72 -1.51 0.00 0.00 177.10 176.10 2cbp s TYR 34 N 0.77 -0.06 -0.52 2.20 1.13 -0.57 -1.52 117.35 118.79 2cbp s TYR 34 Ca -0.01 -0.17 -0.23 0.00 -1.41 0.00 0.00 57.07 55.24 2cbp s TYR 34 Cb -0.14 0.61 0.04 0.00 -1.10 0.00 0.00 41.96 41.37 2cbp s TYR 34 CO 0.02 -0.61 0.85 1.21 -2.51 0.00 0.00 175.55 174.51 2cbp s ASN 35 N -3.07 6.34 0.20 -0.18 3.84 -1.26 -4.37 114.94 116.44 2cbp s ASN 35 Ca 0.15 -0.38 0.15 0.00 0.21 0.00 0.00 52.86 52.99 2cbp s ASN 35 Cb 0.01 -2.40 0.77 0.00 -0.55 0.00 0.00 41.25 39.08 2cbp s ASN 35 CO 0.00 -1.09 1.46 -0.81 -2.79 0.00 0.00 177.10 173.87 2cbp n PRO 36 N 7.05 0.10 0.20 0.43 -0.04 -1.26 -0.92 135.00 140.56 2cbp n PRO 36 Ca 0.01 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2cbp n PRO 36 Cb 0.47 -1.78 0.34 0.00 -0.04 0.00 0.00 33.50 32.49 2cbp n PRO 36 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2cbp h SER 37 N 0.00 0.00 0.00 3.54 0.02 -1.92 -3.35 113.55 111.84 2cbp h SER 37 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cbp h SER 37 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2cbp h SER 37 CO 0.00 0.00 -0.24 0.23 -1.14 0.00 0.00 176.83 175.68 2cbp n MET 38 N -2.86 5.34 -3.85 3.45 2.81 -0.10 -5.09 117.12 116.82 2cbp n MET 38 Ca 0.04 -0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.83 2cbp n MET 38 Cb 0.44 -0.63 -0.05 0.00 -0.71 0.00 0.00 33.22 32.27 2cbp n MET 38 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2cbp s HIS 39 N -1.26 0.13 0.31 2.03 3.76 -0.78 -4.94 115.29 114.54 2cbp s HIS 39 Ca 0.00 -0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 54.38 2cbp s HIS 39 Cb 0.00 0.19 -0.00 0.00 1.11 0.00 0.00 32.58 33.88 2cbp s HIS 39 CO 0.02 -0.83 0.46 0.54 -0.85 0.00 0.00 174.74 174.07 2cbp s ASN 40 N -2.92 0.62 -0.10 1.40 2.20 -1.26 -4.23 114.94 110.64 2cbp s ASN 40 Ca 0.13 -1.35 0.01 0.00 -0.94 0.00 0.00 52.86 50.71 2cbp s ASN 40 Cb 0.01 0.63 0.02 0.00 -2.00 0.00 0.00 41.25 39.91 2cbp s ASN 40 CO -0.01 -1.24 -0.11 -0.69 -2.94 0.00 0.00 177.10 172.11 2cbp s VAL 41 N -3.33 1.22 -0.08 3.54 1.01 -0.80 -4.34 120.40 117.62 2cbp s VAL 41 Ca 0.29 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2cbp s VAL 41 Cb 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2cbp s VAL 41 CO 0.17 0.39 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 2cbp s VAL 42 N 1.19 1.53 -0.42 2.92 1.01 0.55 0.04 120.40 127.22 2cbp s VAL 42 Ca -0.04 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 2cbp s VAL 42 Cb -0.14 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.91 2cbp s VAL 42 CO -0.03 0.44 0.56 -0.69 0.00 0.00 0.00 175.10 175.38 2cbp s VAL 43 N 0.52 4.94 0.25 2.92 1.01 -0.56 -0.94 120.40 128.54 2cbp s VAL 43 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2cbp s VAL 43 Cb -0.17 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 2cbp s VAL 43 CO 0.06 -0.49 0.01 1.33 0.00 0.00 0.00 175.10 176.01 2cbp n VAL 44 N 5.66 0.00 -3.23 2.92 0.24 -0.50 -3.84 118.33 119.58 2cbp n VAL 44 Ca -0.04 -1.22 -0.20 0.00 -2.04 0.00 0.00 64.34 60.84 2cbp n VAL 44 Cb 0.48 0.26 0.03 0.00 -1.47 0.00 0.00 33.84 33.14 2cbp n VAL 44 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2cbp s ASN 45 N -2.40 5.14 0.27 -1.34 2.20 -1.26 -3.99 114.94 113.56 2cbp s ASN 45 Ca 0.01 -0.81 -0.01 0.00 -0.94 0.00 0.00 52.86 51.11 2cbp s ASN 45 Cb 0.00 0.03 0.48 0.00 -2.00 0.00 0.00 41.25 39.76 2cbp s ASN 45 CO 0.01 -1.11 1.85 -0.61 -2.94 0.00 0.00 177.10 174.30 2cbp h GLN 46 N 0.46 1.04 -0.28 3.55 4.15 -1.98 -0.84 115.11 121.21 2cbp h GLN 46 Ca -0.34 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.02 2cbp h GLN 46 Cb 1.29 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2cbp h GLN 46 CO 0.46 0.69 0.17 0.78 -1.93 0.00 0.00 178.83 179.00 2cbp h GLY 47 N 1.07 0.39 1.13 2.39 0.00 -1.96 -0.84 103.07 105.24 2cbp h GLY 47 Ca 0.47 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 2cbp h GLY 47 CO -0.23 0.12 0.09 -1.33 0.00 0.00 0.00 176.54 175.20 2cbp h GLY 48 N 0.35 1.15 0.99 4.60 0.00 -1.63 -0.63 103.07 107.89 2cbp h GLY 48 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2cbp h GLY 48 CO -0.04 0.71 0.24 -2.75 0.00 0.00 0.00 176.54 174.70 2cbp h PHE 49 N 0.99 0.50 -0.30 5.60 3.57 -0.77 0.48 116.94 127.01 2cbp h PHE 49 Ca 0.19 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 2cbp h PHE 49 Cb 0.45 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2cbp h PHE 49 CO 0.03 0.34 -0.31 0.77 -2.23 0.00 0.00 178.31 176.92 2cbp h SER 50 N 0.51 0.80 0.19 0.41 0.02 -0.86 -3.30 113.55 111.32 2cbp h SER 50 Ca 0.14 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2cbp h SER 50 Cb -0.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.30 2cbp h SER 50 CO -0.03 1.10 -0.60 0.35 -1.14 0.00 0.00 176.83 176.52 2cbp n THR 51 N -4.23 0.00 -2.49 -2.27 -2.24 -0.27 -4.95 114.28 97.83 2cbp n THR 51 Ca -0.04 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 2cbp n THR 51 Cb 0.49 0.70 0.01 0.00 -2.10 0.00 0.00 70.33 69.42 2cbp n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cbp s ASN 53 N -2.53 4.79 -0.29 0.00 0.01 -1.02 -4.99 114.94 110.91 2cbp s ASN 53 Ca 0.09 -0.15 -0.26 0.00 -0.71 0.00 0.00 52.86 51.82 2cbp s ASN 53 Cb -0.04 -1.79 0.01 0.00 0.41 0.00 0.00 41.25 39.84 2cbp s ASN 53 CO 0.11 0.14 0.91 -0.89 -1.51 0.00 0.00 177.10 175.86 2cbp s THR 54 N 0.54 4.70 0.60 1.60 2.01 -1.26 -4.18 115.64 119.64 2cbp s THR 54 Ca -0.03 1.52 -0.18 0.00 0.31 0.00 0.00 61.69 63.31 2cbp s THR 54 Cb -0.14 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2cbp s THR 54 CO 0.03 -0.28 1.18 -2.84 -0.69 0.00 0.00 174.62 172.01 2cbp s PRO 55 N 3.18 2.99 0.24 4.92 0.02 -1.26 -4.93 135.00 140.16 2cbp s PRO 55 Ca 0.38 1.73 -0.31 0.00 0.02 0.00 0.00 61.00 62.82 2cbp s PRO 55 Cb -0.14 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.32 2cbp s PRO 55 CO 0.12 -1.16 1.64 0.00 -0.33 0.00 0.00 177.00 177.26 2cbp n ALA 56 N -1.67 2.46 -0.83 -1.55 0.00 -1.26 -2.30 120.51 115.36 2cbp n ALA 56 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2cbp n ALA 56 Cb 0.50 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2cbp n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cbp n GLY 57 N 3.07 0.79 3.75 0.00 0.00 -1.26 -5.02 105.19 106.52 2cbp n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2cbp n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cbp n ALA 58 N 0.48 2.15 -2.36 4.61 0.00 -0.97 -4.94 120.51 119.47 2cbp n ALA 58 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 2cbp n ALA 58 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.02 2cbp n ALA 58 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2cbp s LYS 59 N -1.46 4.56 -0.12 0.00 2.36 -1.25 -4.90 119.74 118.93 2cbp s LYS 59 Ca 0.58 1.61 0.01 0.00 -2.55 0.00 0.00 55.97 55.62 2cbp s LYS 59 Cb -0.51 -3.36 -0.01 0.00 -1.05 0.00 0.00 37.83 32.90 2cbp s LYS 59 CO 0.58 -0.02 -0.17 0.08 1.55 0.00 0.00 175.35 177.37 2cbp s VAL 60 N 0.48 2.73 -0.08 4.02 1.01 -1.26 -1.49 120.40 125.81 2cbp s VAL 60 Ca 0.52 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2cbp s VAL 60 Cb -0.26 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2cbp s VAL 60 CO 0.31 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.58 2cbp s TYR 61 N 0.33 2.99 0.00 5.22 1.51 0.11 -4.99 117.35 122.52 2cbp s TYR 61 Ca -0.13 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2cbp s TYR 61 Cb -0.17 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 2cbp s TYR 61 CO 0.07 0.34 0.78 0.25 -1.11 0.00 0.00 175.55 175.88 2cbp n THR 62 N 2.30 0.00 0.12 -0.71 -2.24 -1.26 -1.91 114.28 110.57 2cbp n THR 62 Ca -0.18 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 2cbp n THR 62 Cb 0.53 0.53 0.23 0.00 -2.10 0.00 0.00 70.33 69.52 2cbp n THR 62 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2cbp h SER 63 N 0.00 0.17 0.00 3.42 4.64 -1.95 -3.44 113.55 116.39 2cbp h SER 63 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2cbp h SER 63 Cb 1.24 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2cbp h SER 63 CO 0.00 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 2cbp n GLY 64 N -0.13 1.59 2.48 -0.77 0.00 -1.26 -4.89 105.19 102.22 2cbp n GLY 64 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2cbp n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cbp n ARG 65 N -1.82 0.87 -2.99 1.61 0.63 -1.19 -1.51 116.66 112.25 2cbp n ARG 65 Ca 0.00 -2.52 -0.39 0.00 -0.92 0.00 0.00 57.85 54.02 2cbp n ARG 65 Cb 0.00 -1.35 -0.06 0.00 0.45 0.00 0.00 32.46 31.50 2cbp n ARG 65 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2cbp s ASP 66 N -1.63 7.34 -0.35 6.15 1.01 -0.49 -4.86 116.67 123.84 2cbp s ASP 66 Ca 0.32 1.59 -0.01 0.00 0.71 0.00 0.00 52.55 55.16 2cbp s ASP 66 Cb 0.26 -2.49 0.08 0.00 1.01 0.00 0.00 42.92 41.78 2cbp s ASP 66 CO -0.12 0.17 0.09 -1.10 0.21 0.00 0.00 175.17 174.42 2cbp s GLN 67 N -0.90 2.12 -0.24 8.23 -0.21 -1.26 -0.43 119.66 126.97 2cbp s GLN 67 Ca 0.36 -1.58 -0.05 0.00 0.02 0.00 0.00 55.36 54.11 2cbp s GLN 67 Cb -0.22 -3.35 -0.01 0.00 1.00 0.00 0.00 33.01 30.42 2cbp s GLN 67 CO 0.25 -0.85 0.01 0.42 -2.12 0.00 0.00 175.29 173.00 2cbp s ILE 68 N 1.16 3.77 -0.01 1.08 1.01 0.90 -4.93 121.20 124.18 2cbp s ILE 68 Ca 0.03 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.03 2cbp s ILE 68 Cb -0.21 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2cbp s ILE 68 CO -0.03 0.37 0.81 -0.75 0.00 0.00 0.00 174.94 175.33 2cbp s LYS 69 N 1.53 4.50 -0.08 2.79 2.20 -1.26 -0.13 119.74 129.30 2cbp s LYS 69 Ca 0.06 1.10 -0.22 0.00 -0.36 0.00 0.00 55.97 56.55 2cbp s LYS 69 Cb -0.15 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2cbp s LYS 69 CO -0.00 0.11 0.65 -0.51 -0.36 0.00 0.00 175.35 175.23 2cbp s LEU 70 N 0.56 4.31 0.80 5.43 1.43 0.12 -4.94 118.68 126.39 2cbp s LEU 70 Ca 0.42 1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 54.51 2cbp s LEU 70 Cb -0.20 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.10 2cbp s LEU 70 CO 0.23 -0.09 1.13 -2.16 0.23 0.00 0.00 176.35 175.69 2cbp s PRO 71 N 0.76 2.09 0.28 1.29 0.04 -1.26 0.25 135.00 138.44 2cbp s PRO 71 Ca 0.35 0.36 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 2cbp s PRO 71 Cb -0.17 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 2cbp s PRO 71 CO 0.16 -1.56 1.32 0.21 0.04 0.00 0.00 177.00 177.18 2cbp s LYS 72 N -5.37 4.36 0.00 4.56 2.36 -1.26 -4.54 119.74 119.85 2cbp s LYS 72 Ca 0.61 2.18 0.00 0.00 -2.55 0.00 0.00 55.97 56.21 2cbp s LYS 72 Cb -0.12 -3.11 0.00 0.00 -1.05 0.00 0.00 37.83 33.54 2cbp s LYS 72 CO 0.52 -0.23 0.00 0.41 1.55 0.00 0.00 175.35 177.60 2cbp n GLY 73 N 1.47 -1.69 3.77 5.54 0.00 0.57 -4.91 105.19 109.94 2cbp n GLY 73 Ca 0.03 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 2cbp n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cbp s GLN 74 N 0.00 4.62 -0.01 1.61 -0.21 -1.26 -0.11 119.66 124.31 2cbp s GLN 74 Ca 0.00 1.22 0.02 0.00 0.02 0.00 0.00 55.36 56.62 2cbp s GLN 74 Cb 0.00 -3.27 -0.00 0.00 1.00 0.00 0.00 33.01 30.73 2cbp s GLN 74 CO 0.00 0.54 -0.08 -1.12 -2.12 0.00 0.00 175.29 172.52 2cbp s SER 75 N -1.08 0.91 -0.05 5.90 0.01 -0.32 -4.99 113.70 114.08 2cbp s SER 75 Ca 0.37 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.51 2cbp s SER 75 Cb -0.24 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2cbp s SER 75 CO 0.27 0.09 -0.11 -0.31 0.41 0.00 0.00 173.24 173.59 2cbp s TYR 76 N -0.14 1.32 -0.01 2.43 2.02 -1.26 -0.96 117.35 120.76 2cbp s TYR 76 Ca 0.02 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 2cbp s TYR 76 Cb -0.03 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.55 2cbp s TYR 76 CO -0.00 -0.22 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.58 2cbp s PHE 77 N 0.53 1.02 0.14 2.71 0.40 -0.45 -1.41 117.98 120.91 2cbp s PHE 77 Ca -0.11 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2cbp s PHE 77 Cb -0.14 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 2cbp s PHE 77 CO 0.03 -0.03 0.05 0.96 0.70 0.00 0.00 175.22 176.93 2cbp s ILE 78 N -0.22 0.16 -0.21 0.64 -4.36 -0.12 -0.73 121.20 116.37 2cbp s ILE 78 Ca 0.04 -1.92 -0.07 0.00 -0.26 0.00 0.00 60.65 58.43 2cbp s ILE 78 Cb -0.05 -2.08 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 2cbp s ILE 78 CO -0.00 -0.44 0.05 0.00 0.24 0.00 0.00 174.94 174.79 2cbp n ASN 80 N 4.22 4.86 -4.76 0.00 0.23 -1.26 -2.85 115.26 115.70 2cbp n ASN 80 Ca -0.16 -2.54 -0.38 0.00 -0.53 0.00 0.00 54.58 50.96 2cbp n ASN 80 Cb 0.52 -0.59 0.03 0.00 -2.08 0.00 0.00 39.78 37.66 2cbp n ASN 80 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2cbp s PHE 81 N -2.03 2.44 -0.13 -2.53 0.40 -1.26 -4.82 117.98 110.05 2cbp s PHE 81 Ca 0.51 1.38 -0.37 0.00 -0.60 0.00 0.00 56.93 57.85 2cbp s PHE 81 Cb 0.34 -3.75 -0.14 0.00 0.51 0.00 0.00 43.02 39.98 2cbp s PHE 81 CO 0.22 -2.64 1.74 -2.30 0.70 0.00 0.00 175.22 172.95 2cbp n PRO 82 N -0.72 1.63 -0.65 0.24 -0.02 -1.26 -1.33 135.00 132.90 2cbp n PRO 82 Ca 0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2cbp n PRO 82 Cb 0.45 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2cbp n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cbp n GLY 83 N 4.05 1.43 0.13 -1.23 0.00 -1.26 -4.91 105.19 103.40 2cbp n GLY 83 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 2cbp n GLY 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2cbp h HIS 84 N 0.00 0.44 -0.53 1.61 3.86 -1.46 -2.45 115.15 116.63 2cbp h HIS 84 Ca 0.00 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.05 2cbp h HIS 84 Cb 0.00 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2cbp h HIS 84 CO 0.00 0.89 0.33 0.00 0.86 0.00 0.00 177.93 180.01 2cbp h GLN 86 N 0.66 0.00 -0.64 0.00 7.50 -1.89 -1.49 115.11 119.25 2cbp h GLN 86 Ca 0.20 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.35 2cbp h GLN 86 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.50 2cbp h GLN 86 CO -0.07 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 177.69 2cbp n SER 87 N -2.82 3.67 0.00 1.46 7.64 -0.45 -4.93 113.62 118.20 2cbp n SER 87 Ca -0.01 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.87 2cbp n SER 87 Cb 0.13 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2cbp n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cbp n GLY 88 N 1.59 0.81 3.10 0.23 0.00 -0.56 -3.23 105.19 107.13 2cbp n GLY 88 Ca 0.23 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2cbp n GLY 88 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cbp n MET 89 N -2.33 3.83 -3.54 1.61 0.00 -0.72 -2.20 117.12 113.78 2cbp n MET 89 Ca 0.00 -4.07 -0.14 0.00 -0.00 0.00 0.00 57.70 53.49 2cbp n MET 89 Cb 0.00 -2.75 -0.05 0.00 0.00 0.00 0.00 33.22 30.42 2cbp n MET 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2cbp s LYS 90 N -0.69 0.86 0.00 2.12 -2.85 -1.26 -1.68 119.74 116.25 2cbp s LYS 90 Ca 0.36 0.14 -0.07 0.00 -1.00 0.00 0.00 55.97 55.41 2cbp s LYS 90 Cb 0.02 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 2cbp s LYS 90 CO 0.02 -0.28 0.13 0.96 0.10 0.00 0.00 175.35 176.28 2cbp s ILE 91 N -1.39 0.08 -0.05 3.79 -4.36 0.10 -3.69 121.20 115.68 2cbp s ILE 91 Ca -0.06 -0.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.69 2cbp s ILE 91 Cb -0.00 -0.41 0.00 0.00 1.25 0.00 0.00 42.46 43.29 2cbp s ILE 91 CO 0.04 -0.38 -0.17 0.00 0.24 0.00 0.00 174.94 174.68 2cbp s ALA 92 N -1.34 1.53 0.09 2.27 0.00 -1.26 -1.35 121.76 121.70 2cbp s ALA 92 Ca -0.14 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2cbp s ALA 92 Cb -0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2cbp s ALA 92 CO 0.01 0.24 -0.08 0.14 0.00 0.00 0.00 175.76 176.08 2cbp s VAL 93 N 0.21 0.75 -0.09 0.00 -7.23 -0.13 -4.84 120.40 109.07 2cbp s VAL 93 Ca -0.08 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 2cbp s VAL 93 Cb -0.13 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.37 2cbp s VAL 93 CO 0.03 -0.72 -0.11 0.21 -0.31 0.00 0.00 175.10 174.20 2cbp s ASN 94 N -2.69 2.06 -0.20 4.85 2.47 -1.26 -1.18 114.94 118.98 2cbp s ASN 94 Ca 0.07 -0.32 -0.06 0.00 0.42 0.00 0.00 52.86 52.97 2cbp s ASN 94 Cb 0.01 -0.88 -0.03 0.00 -1.45 0.00 0.00 41.25 38.91 2cbp s ASN 94 CO -0.03 -0.04 0.02 0.00 -3.72 0.00 0.00 177.10 173.33 2cbp s ALA 95 N 1.19 3.11 -2.25 1.71 0.00 0.85 -4.03 121.76 122.34 2cbp s ALA 95 Ca -0.04 -0.96 0.30 0.00 0.00 0.00 0.00 51.96 51.26 2cbp s ALA 95 Cb -0.14 -1.83 1.48 0.00 0.00 0.00 0.00 23.12 22.63 2cbp s ALA 95 CO -0.03 -0.12 1.99 1.28 0.00 0.00 0.00 175.76 178.88