#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd n GLU 2 N 0.00 4.66 0.36 0.03 0.28 -1.26 -4.36 120.64 120.35 2bkd n GLU 2 Ca 0.00 -4.71 -0.15 0.00 -0.16 0.00 0.00 57.16 52.15 2bkd n GLU 2 Cb 0.00 -2.41 -0.07 0.00 1.43 0.00 0.00 31.44 30.39 2bkd n GLU 2 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2bkd h GLU 3 N 4.04 -0.92 -6.25 3.44 3.07 -1.93 -3.44 114.58 112.59 2bkd h GLU 3 Ca 0.38 0.06 -0.69 0.00 -0.50 0.00 0.00 59.36 58.62 2bkd h GLU 3 Cb 0.41 0.21 -0.21 0.00 -0.84 0.00 0.00 28.75 28.32 2bkd h GLU 3 CO 1.09 -0.61 -0.73 -0.51 -1.40 0.00 0.00 179.01 176.85 2bkd s LEU 4 N -9.16 2.94 -0.26 1.33 2.01 -1.25 -5.03 118.68 109.26 2bkd s LEU 4 Ca -0.14 -0.12 -0.18 0.00 0.01 0.00 0.00 54.13 53.70 2bkd s LEU 4 Cb 0.01 -1.63 -0.03 0.00 0.01 0.00 0.00 46.19 44.56 2bkd s LEU 4 CO 0.42 0.35 0.51 -0.69 1.01 0.00 0.00 176.35 177.94 2bkd s VAL 5 N -0.78 5.07 0.41 -1.59 1.01 -1.26 -0.84 120.40 122.42 2bkd s VAL 5 Ca 0.12 0.86 0.07 0.00 0.00 0.00 0.00 61.98 63.03 2bkd s VAL 5 Cb -0.11 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 2bkd s VAL 5 CO 0.01 0.09 0.07 0.54 0.00 0.00 0.00 175.10 175.81 2bkd s VAL 6 N 2.30 2.08 0.09 2.92 0.11 -0.24 -4.39 120.40 123.27 2bkd s VAL 6 Ca 0.21 -1.89 0.05 0.00 -2.93 0.00 0.00 61.98 57.42 2bkd s VAL 6 Cb -0.16 -2.98 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 2bkd s VAL 6 CO 0.09 0.00 -0.14 -1.83 -3.33 0.00 0.00 175.10 169.90 2bkd s GLU 7 N -3.78 0.89 0.05 1.54 -1.05 -0.87 -1.63 118.70 113.85 2bkd s GLU 7 Ca 0.36 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.11 2bkd s GLU 7 Cb 0.08 -0.82 -0.03 0.00 -0.44 0.00 0.00 34.13 32.91 2bkd s GLU 7 CO 0.19 0.17 -0.05 0.54 0.95 0.00 0.00 175.26 177.06 2bkd s VAL 8 N -1.71 0.36 0.42 1.83 0.11 -0.92 -0.87 120.40 119.63 2bkd s VAL 8 Ca 0.03 -1.47 0.03 0.00 -2.93 0.00 0.00 61.98 57.64 2bkd s VAL 8 Cb -0.07 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 2bkd s VAL 8 CO 0.02 -0.73 0.07 0.00 -3.33 0.00 0.00 175.10 171.13 2bkd s ARG 9 N -2.83 1.96 0.00 1.54 3.03 -1.18 -0.78 118.95 120.69 2bkd s ARG 9 Ca -0.01 -2.19 0.00 0.00 2.03 0.00 0.00 55.73 55.56 2bkd s ARG 9 Cb -0.01 -1.03 0.00 0.00 -1.03 0.00 0.00 34.95 32.88 2bkd s ARG 9 CO -0.05 -0.34 0.00 0.41 -1.13 0.00 0.00 175.30 174.19 2bkd n GLY 10 N -0.98 -0.08 0.28 3.88 0.00 -1.22 -4.93 105.19 102.14 2bkd n GLY 10 Ca -0.09 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.89 2bkd n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bkd h SER 11 N 0.00 0.00 0.50 1.61 4.64 -1.99 -0.77 113.55 117.55 2bkd h SER 11 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bkd h SER 11 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bkd h SER 11 CO 0.00 0.01 0.00 -3.20 -0.87 0.00 0.00 176.83 172.77 2bkd n ASN 12 N -4.07 0.00 0.00 4.97 2.85 -1.26 -4.90 115.26 112.85 2bkd n ASN 12 Ca -0.03 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 2bkd n ASN 12 Cb 0.09 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 40.70 2bkd n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bkd n GLY 13 N 0.30 0.86 2.03 8.20 0.00 -0.29 -4.78 105.19 111.50 2bkd n GLY 13 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2bkd n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkd n ALA 14 N 0.43 -0.71 -2.46 4.61 0.00 -1.26 -3.98 120.51 117.14 2bkd n ALA 14 Ca 0.00 -0.78 -0.39 0.00 0.00 0.00 0.00 53.44 52.27 2bkd n ALA 14 Cb 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 2bkd n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bkd s PHE 15 N -4.73 3.70 -0.03 0.00 0.40 -1.26 -3.43 117.98 112.62 2bkd s PHE 15 Ca 0.11 1.29 0.05 0.00 -0.60 0.00 0.00 56.93 57.79 2bkd s PHE 15 Cb -0.02 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2bkd s PHE 15 CO 0.08 0.32 -0.19 1.52 0.70 0.00 0.00 175.22 177.65 2bkd s TYR 16 N -0.12 1.82 0.01 0.36 1.13 0.04 -4.89 117.35 115.69 2bkd s TYR 16 Ca 0.34 -0.45 -0.30 0.00 -1.41 0.00 0.00 57.07 55.24 2bkd s TYR 16 Cb -0.19 -1.20 -0.05 0.00 -1.10 0.00 0.00 41.96 39.42 2bkd s TYR 16 CO 0.19 -0.11 1.27 0.15 -2.51 0.00 0.00 175.55 174.54 2bkd s LYS 17 N -0.20 4.36 -0.06 -3.49 1.02 -1.26 -2.16 119.74 117.94 2bkd s LYS 17 Ca 0.01 1.82 -0.03 0.00 0.02 0.00 0.00 55.97 57.79 2bkd s LYS 17 Cb -0.10 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2bkd s LYS 17 CO 0.01 -0.42 0.14 0.00 -0.92 0.00 0.00 175.35 174.16 2bkd s ALA 18 N 1.79 -0.20 -0.17 5.17 0.00 -0.64 -4.63 121.76 123.07 2bkd s ALA 18 Ca 0.60 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 2bkd s ALA 18 Cb -0.29 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2bkd s ALA 18 CO 0.26 -0.23 -0.07 -0.06 0.00 0.00 0.00 175.76 175.67 2bkd s PHE 19 N 1.38 2.94 -0.02 0.00 0.08 -0.03 -1.08 117.98 121.24 2bkd s PHE 19 Ca -0.07 -0.65 -0.30 0.00 0.12 0.00 0.00 56.93 56.04 2bkd s PHE 19 Cb -0.12 -1.98 -0.06 0.00 -0.57 0.00 0.00 43.02 40.28 2bkd s PHE 19 CO -0.06 -0.29 1.69 0.08 -0.10 0.00 0.00 175.22 176.55 2bkd s VAL 20 N 0.80 3.43 -0.25 -0.44 1.01 -0.02 -1.34 120.40 123.60 2bkd s VAL 20 Ca -0.02 0.58 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 2bkd s VAL 20 Cb -0.15 -3.38 -0.14 0.00 0.00 0.00 0.00 36.38 32.71 2bkd s VAL 20 CO 0.01 -0.04 -0.16 1.17 0.00 0.00 0.00 175.10 176.08 2bkd n LYS 21 N 6.94 0.58 -4.01 2.72 0.00 0.71 -3.73 118.16 121.36 2bkd n LYS 21 Ca 0.17 0.37 -0.10 0.00 0.00 0.00 0.00 58.31 58.75 2bkd n LYS 21 Cb 0.42 -1.58 -0.11 0.00 0.00 0.00 0.00 35.03 33.76 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2bkd s ASP 22 N -7.20 0.48 0.32 3.14 2.15 -0.97 -4.79 116.67 109.81 2bkd s ASP 22 Ca -0.35 -0.53 0.08 0.00 0.43 0.00 0.00 52.55 52.18 2bkd s ASP 22 Cb 0.11 0.08 -0.06 0.00 -0.30 0.00 0.00 42.92 42.75 2bkd s ASP 22 CO 0.52 -0.27 -0.07 0.68 -0.17 0.00 0.00 175.17 175.86 2bkd s VAL 23 N -1.50 1.94 0.00 1.11 -7.23 -1.26 -1.55 120.40 111.91 2bkd s VAL 23 Ca -0.13 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 57.89 2bkd s VAL 23 Cb -0.10 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2bkd s VAL 23 CO -0.01 -0.22 0.00 -0.62 -0.31 0.00 0.00 175.10 173.94 2bkd n GLU 25 N -0.71 0.00 -0.11 4.82 1.02 -1.26 -5.03 120.64 119.37 2bkd n GLU 25 Ca -0.05 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.90 2bkd n GLU 25 Cb 0.64 -0.86 -0.06 0.00 -0.02 0.00 0.00 31.44 31.13 2bkd n GLU 25 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2bkd n ASP 26 N -2.32 1.94 -4.93 1.62 5.68 -1.26 -4.91 116.55 112.37 2bkd n ASP 26 Ca 0.00 0.35 -0.26 0.00 -0.50 0.00 0.00 54.79 54.38 2bkd n ASP 26 Cb 0.39 -0.79 -0.02 0.00 -1.14 0.00 0.00 41.12 39.56 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2bkd s SER 27 N -6.66 6.35 -0.02 -1.12 0.01 -1.26 -2.50 113.70 108.49 2bkd s SER 27 Ca -0.33 0.55 0.05 0.00 1.31 0.00 0.00 55.95 57.54 2bkd s SER 27 Cb 0.09 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 2bkd s SER 27 CO 0.45 -0.26 -0.18 -0.51 0.41 0.00 0.00 173.24 173.16 2bkd s ILE 28 N -2.23 1.46 -0.18 1.44 2.07 0.36 -4.60 121.20 119.52 2bkd s ILE 28 Ca 0.41 -0.77 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 2bkd s ILE 28 Cb -0.10 -1.23 -0.03 0.00 0.13 0.00 0.00 42.46 41.23 2bkd s ILE 28 CO 0.34 0.42 -0.00 -0.89 -1.91 0.00 0.00 174.94 172.89 2bkd s THR 29 N -0.28 4.11 0.00 4.00 2.01 -0.59 -1.56 115.64 123.32 2bkd s THR 29 Ca 0.03 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2bkd s THR 29 Cb -0.09 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2bkd s THR 29 CO 0.00 0.46 0.02 0.68 -0.69 0.00 0.00 174.62 175.09 2bkd s VAL 30 N 0.61 0.06 -0.00 3.82 -7.23 -0.42 -0.21 120.40 117.03 2bkd s VAL 30 Ca -0.01 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 2bkd s VAL 30 Cb -0.14 -0.21 -0.01 0.00 0.56 0.00 0.00 36.38 36.58 2bkd s VAL 30 CO 0.02 -0.29 -0.11 0.00 -0.31 0.00 0.00 175.10 174.41 2bkd s ALA 31 N -0.88 0.92 0.09 1.32 0.00 -0.45 -1.34 121.76 121.43 2bkd s ALA 31 Ca -0.10 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2bkd s ALA 31 Cb -0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2bkd s ALA 31 CO -0.00 0.22 -0.13 -0.06 0.00 0.00 0.00 175.76 175.78 2bkd s PHE 32 N -0.32 2.67 -1.30 0.00 0.40 -1.23 -0.85 117.98 117.35 2bkd s PHE 32 Ca 0.04 -0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 2bkd s PHE 32 Cb -0.05 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 2bkd s PHE 32 CO -0.00 0.39 2.22 -1.91 0.70 0.00 0.00 175.22 176.62 2bkd n GLU 33 N 0.90 2.59 0.00 0.44 2.13 -1.26 -4.71 120.64 120.74 2bkd n GLU 33 Ca -0.15 -2.36 0.00 0.00 0.66 0.00 0.00 57.16 55.32 2bkd n GLU 33 Cb 0.52 -3.14 0.00 0.00 0.27 0.00 0.00 31.44 29.10 2bkd n GLU 33 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2bkd n ASN 34 N 6.13 0.00 0.32 4.31 5.15 -1.26 -4.72 115.26 125.20 2bkd n ASN 34 Ca 0.54 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.69 2bkd n ASN 34 Cb 0.37 -0.09 0.92 0.00 -0.53 0.00 0.00 39.78 40.46 2bkd n ASN 34 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2bkd h ASN 35 N 0.00 0.00 0.00 1.20 4.21 -1.92 -3.39 115.58 115.68 2bkd h ASN 35 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2bkd h ASN 35 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2bkd h ASN 35 CO 0.00 0.00 0.00 -2.67 -1.29 0.00 0.00 177.43 173.47 2bkd n TRP 36 N -3.02 -1.57 -4.37 1.19 4.27 -1.26 -5.03 117.44 107.65 2bkd n TRP 36 Ca -0.02 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.41 2bkd n TRP 36 Cb 0.31 0.40 -0.15 0.00 -1.36 0.00 0.00 31.31 30.51 2bkd n TRP 36 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2bkd s GLN 37 N -1.81 0.74 -0.12 -2.67 -0.21 -1.26 -5.06 119.66 109.27 2bkd s GLN 37 Ca 0.00 -0.32 -0.17 0.00 0.02 0.00 0.00 55.36 54.89 2bkd s GLN 37 Cb 0.00 -0.71 -0.15 0.00 1.00 0.00 0.00 33.01 33.15 2bkd s GLN 37 CO 0.00 0.19 0.47 -1.00 -2.12 0.00 0.00 175.29 172.83 2bkd h PRO 38 N 5.93 -0.01 -2.98 2.91 0.13 -1.92 -3.30 132.00 132.76 2bkd h PRO 38 Ca -0.31 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.60 2bkd h PRO 38 Cb 1.18 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 2bkd h PRO 38 CO 0.50 0.55 -0.54 0.34 -0.23 0.00 0.00 178.00 178.62 2bkd s ASP 39 N -5.91 0.17 0.10 1.44 2.15 -1.26 -3.50 116.67 109.86 2bkd s ASP 39 Ca -0.11 0.51 -0.00 0.00 0.43 0.00 0.00 52.55 53.38 2bkd s ASP 39 Cb -0.02 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 2bkd s ASP 39 CO 0.40 -0.21 -0.01 -0.60 -0.17 0.00 0.00 175.17 174.58 2bkd s ARG 40 N 1.91 0.81 -0.12 4.34 3.52 -0.45 -5.01 118.95 123.95 2bkd s ARG 40 Ca -0.03 -1.35 0.03 0.00 -0.13 0.00 0.00 55.73 54.25 2bkd s ARG 40 Cb -0.11 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.35 2bkd s ARG 40 CO -0.08 -0.13 -0.22 -0.65 -0.81 0.00 0.00 175.30 173.41 2bkd s GLN 41 N -3.93 2.90 0.02 5.12 1.11 -1.26 -1.30 119.66 122.32 2bkd s GLN 41 Ca 0.15 -0.82 0.07 0.00 0.01 0.00 0.00 55.36 54.77 2bkd s GLN 41 Cb 0.07 -2.29 -0.02 0.00 -1.01 0.00 0.00 33.01 29.75 2bkd s GLN 41 CO -0.04 0.05 -0.21 0.42 0.01 0.00 0.00 175.29 175.52 2bkd s ILE 42 N 0.65 1.71 0.76 1.08 1.01 -0.60 -4.96 121.20 120.84 2bkd s ILE 42 Ca -0.12 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.29 2bkd s ILE 42 Cb -0.16 -1.46 0.05 0.00 0.01 0.00 0.00 42.46 40.90 2bkd s ILE 42 CO 0.02 0.31 1.15 -2.16 0.00 0.00 0.00 174.94 174.27 2bkd s PRO 43 N -0.94 2.10 0.00 2.79 0.04 -1.26 -0.49 135.00 137.24 2bkd s PRO 43 Ca 0.08 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 62.65 2bkd s PRO 43 Cb -0.09 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 2bkd s PRO 43 CO 0.01 -1.81 0.53 1.19 0.04 0.00 0.00 177.00 176.96 2bkd n PHE 44 N -3.07 0.00 0.00 0.56 3.72 -1.04 -3.69 117.46 113.94 2bkd n PHE 44 Ca 0.12 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2bkd n PHE 44 Cb 0.51 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2bkd n PHE 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bkd n ASP 46 N 2.57 0.00 -4.84 4.37 8.00 -1.26 -4.63 116.55 120.75 2bkd n ASP 46 Ca 0.02 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 2bkd n ASP 46 Cb 0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2bkd n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bkd s VAL 47 N 0.00 5.27 0.00 2.53 1.01 -1.24 -3.11 120.40 124.86 2bkd s VAL 47 Ca 0.00 0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.55 2bkd s VAL 47 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2bkd s VAL 47 CO 0.00 0.58 -0.13 -0.13 0.00 0.00 0.00 175.10 175.42 2bkd s ARG 48 N -0.88 1.00 -0.37 2.72 0.52 -0.05 -4.25 118.95 117.65 2bkd s ARG 48 Ca 0.19 -0.53 -0.23 0.00 -0.52 0.00 0.00 55.73 54.64 2bkd s ARG 48 Cb -0.14 -0.98 0.01 0.00 0.52 0.00 0.00 34.95 34.36 2bkd s ARG 48 CO 0.08 0.26 0.76 -0.06 0.02 0.00 0.00 175.30 176.36 2bkd s PHE 49 N -0.44 3.12 0.16 -0.53 0.08 -0.61 -2.05 117.98 117.72 2bkd s PHE 49 Ca 0.04 0.50 0.07 0.00 0.12 0.00 0.00 56.93 57.65 2bkd s PHE 49 Cb -0.06 -3.36 -0.04 0.00 -0.57 0.00 0.00 43.02 38.99 2bkd s PHE 49 CO -0.00 -0.72 1.37 -1.00 -0.10 0.00 0.00 175.22 174.77 2bkd h PRO 50 N 8.49 0.05 -7.37 0.24 0.13 -1.84 -3.22 132.00 128.48 2bkd h PRO 50 Ca -0.25 -0.06 -0.51 0.00 -0.87 0.00 0.00 66.00 64.31 2bkd h PRO 50 Cb 1.10 0.02 0.07 0.00 0.13 0.00 0.00 31.00 32.32 2bkd h PRO 50 CO 0.90 0.91 0.40 -1.25 -0.23 0.00 0.00 178.00 178.73 2bkd s PRO 51 N -3.02 3.28 0.48 1.56 0.04 -1.26 -4.87 135.00 131.21 2bkd s PRO 51 Ca -0.00 0.76 -0.08 0.00 0.04 0.00 0.00 61.00 61.72 2bkd s PRO 51 Cb 0.11 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.72 2bkd s PRO 51 CO 0.81 -0.80 0.41 -2.30 0.04 0.00 0.00 177.00 175.16 2bkd n PRO 52 N -2.90 -1.92 -0.07 0.56 -0.02 -1.26 -4.78 135.00 124.61 2bkd n PRO 52 Ca 0.07 -0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 60.78 2bkd n PRO 52 Cb 0.54 -0.63 -0.08 0.00 -0.02 0.00 0.00 33.50 33.31 2bkd n PRO 52 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2bkd h VAL 53 N -2.02 0.94 0.00 -1.45 2.07 -2.00 -3.48 116.25 110.31 2bkd h VAL 53 Ca -0.16 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2bkd h VAL 53 Cb 0.48 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2bkd h VAL 53 CO 0.10 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.62 2bkd n GLY 54 N 1.62 -0.22 3.76 2.17 0.00 -1.26 -5.16 105.19 106.11 2bkd n GLY 54 Ca -0.11 0.79 -0.33 0.00 0.00 0.00 0.00 46.02 46.37 2bkd n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bkd s TYR 55 N 0.00 2.55 -0.06 1.61 2.02 -1.26 -5.00 117.35 117.21 2bkd s TYR 55 Ca 0.00 1.56 -0.16 0.00 -0.37 0.00 0.00 57.07 58.10 2bkd s TYR 55 Cb 0.00 -3.19 -0.11 0.00 -0.40 0.00 0.00 41.96 38.26 2bkd s TYR 55 CO 0.00 -1.79 0.62 -0.91 -1.57 0.00 0.00 175.55 171.90 2bkd h ASN 56 N -0.07 -0.23 -3.83 2.29 4.21 -2.06 -3.45 115.58 112.44 2bkd h ASN 56 Ca -0.47 -0.20 -0.48 0.00 1.21 0.00 0.00 56.30 56.36 2bkd h ASN 56 Cb 1.25 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 38.49 2bkd h ASN 56 CO 0.53 0.30 0.17 -1.59 -1.29 0.00 0.00 177.43 175.55 2bkd s LYS 57 N -2.96 4.01 0.42 0.81 -2.85 -1.26 -5.08 119.74 112.82 2bkd s LYS 57 Ca -0.09 0.75 -0.06 0.00 -1.00 0.00 0.00 55.97 55.56 2bkd s LYS 57 Cb 0.00 -2.35 -0.05 0.00 -2.06 0.00 0.00 37.83 33.38 2bkd s LYS 57 CO 0.32 0.05 0.72 0.34 0.10 0.00 0.00 175.35 176.89 2bkd s ASP 58 N -2.47 6.37 0.30 0.03 2.15 -1.26 -5.01 116.67 116.78 2bkd s ASP 58 Ca 0.56 0.92 -0.29 0.00 0.43 0.00 0.00 52.55 54.16 2bkd s ASP 58 Cb -0.10 -2.24 -0.11 0.00 -0.30 0.00 0.00 42.92 40.18 2bkd s ASP 58 CO 0.20 -0.44 1.46 -0.51 -0.17 0.00 0.00 175.17 175.71 2bkd s ILE 59 N -2.49 2.42 0.10 4.11 2.07 -1.26 -4.95 121.20 121.20 2bkd s ILE 59 Ca 0.47 0.38 -0.30 0.00 -1.41 0.00 0.00 60.65 59.79 2bkd s ILE 59 Cb -0.10 -3.24 -0.06 0.00 0.13 0.00 0.00 42.46 39.19 2bkd s ILE 59 CO 0.38 0.07 1.07 0.20 -1.91 0.00 0.00 174.94 174.75 2bkd s ASN 60 N 0.14 7.29 -0.43 4.50 -0.87 -1.26 -4.98 114.94 119.32 2bkd s ASN 60 Ca 0.57 1.92 -0.28 0.00 -1.57 0.00 0.00 52.86 53.49 2bkd s ASN 60 Cb -0.44 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.21 2bkd s ASN 60 CO 0.50 -0.26 1.51 -1.61 -2.57 0.00 0.00 177.10 174.66 2bkd s GLU 61 N 0.37 3.43 0.00 -0.60 2.02 -1.26 -3.77 118.70 118.89 2bkd s GLU 61 Ca 0.52 0.93 0.00 0.00 0.02 0.00 0.00 54.97 56.43 2bkd s GLU 61 Cb -0.26 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2bkd s GLU 61 CO 0.31 -1.75 0.00 0.45 0.02 0.00 0.00 175.26 174.29 2bkd n SER 62 N 9.44 -0.72 -1.63 -0.19 2.88 -1.25 -5.03 113.62 117.12 2bkd n SER 62 Ca 0.17 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 2bkd n SER 62 Cb 0.48 -0.36 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bkd n ASP 63 N -0.05 -0.69 -4.43 -3.46 -0.08 -1.23 -5.02 116.55 101.59 2bkd n ASP 63 Ca 0.00 -1.45 -0.33 0.00 -1.51 0.00 0.00 54.79 51.50 2bkd n ASP 63 Cb 0.00 1.15 -0.14 0.00 2.34 0.00 0.00 41.12 44.47 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2bkd s GLU 64 N -2.03 2.78 0.20 -0.67 2.02 -1.26 -0.72 118.70 119.03 2bkd s GLU 64 Ca 0.06 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.34 2bkd s GLU 64 Cb -0.01 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 2bkd s GLU 64 CO 0.03 0.48 0.10 0.14 0.02 0.00 0.00 175.26 176.03 2bkd s VAL 65 N -0.35 0.17 -0.16 2.63 -7.23 -0.10 -4.97 120.40 110.39 2bkd s VAL 65 Ca 0.03 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 2bkd s VAL 65 Cb -0.12 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2bkd s VAL 65 CO 0.02 -0.10 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.09 2bkd s GLU 66 N -4.10 3.72 -0.18 4.82 0.41 -0.41 -1.26 118.70 121.70 2bkd s GLU 66 Ca 0.36 -0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 2bkd s GLU 66 Cb 0.07 -2.99 0.04 0.00 -1.78 0.00 0.00 34.13 29.47 2bkd s GLU 66 CO 0.10 0.28 -0.09 0.14 -0.49 0.00 0.00 175.26 175.21 2bkd s VAL 67 N 0.28 1.40 -0.07 2.63 -7.23 0.16 -1.08 120.40 116.48 2bkd s VAL 67 Ca -0.01 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.36 2bkd s VAL 67 Cb -0.13 -1.49 0.03 0.00 0.56 0.00 0.00 36.38 35.34 2bkd s VAL 67 CO 0.02 0.19 -0.01 -0.72 -0.31 0.00 0.00 175.10 174.28 2bkd s TYR 68 N 1.51 0.72 -0.05 2.82 1.13 -1.24 -0.82 117.35 121.43 2bkd s TYR 68 Ca 0.01 -0.20 0.02 0.00 -1.41 0.00 0.00 57.07 55.49 2bkd s TYR 68 Cb -0.15 -0.80 0.01 0.00 -1.10 0.00 0.00 41.96 39.92 2bkd s TYR 68 CO -0.08 -0.31 -0.11 -1.12 -2.51 0.00 0.00 175.55 171.42 2bkd s SER 69 N 1.77 1.53 -0.09 -0.18 0.01 -1.26 -4.81 113.70 110.68 2bkd s SER 69 Ca 0.02 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 2bkd s SER 69 Cb -0.13 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 2bkd s SER 69 CO -0.05 0.03 0.01 0.00 0.41 0.00 0.00 173.24 173.65 2bkd s ARG 70 N 0.58 3.06 -0.03 12.44 1.70 -1.26 -5.02 118.95 130.42 2bkd s ARG 70 Ca -0.11 -0.39 -0.22 0.00 -0.47 0.00 0.00 55.73 54.54 2bkd s ARG 70 Cb -0.14 -2.84 -0.26 0.00 -0.57 0.00 0.00 34.95 31.14 2bkd s ARG 70 CO 0.02 0.68 1.00 0.00 -1.08 0.00 0.00 175.30 175.93 2bkd h ALA 71 N 5.24 0.01 -3.00 7.88 0.00 -2.01 -3.47 119.26 123.91 2bkd h ALA 71 Ca -0.50 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2bkd h ALA 71 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bkd h ALA 71 CO 0.55 0.28 0.00 0.09 0.00 0.00 0.00 179.25 180.18 2bkd n ASN 72 N -4.27 0.00 -2.59 0.00 3.02 -1.26 -4.93 115.26 105.22 2bkd n ASN 72 Ca -0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.24 2bkd n ASN 72 Cb 0.67 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.85 2bkd n ASN 72 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bkd n GLU 73 N 0.00 2.41 -1.38 3.52 0.28 -1.26 -4.95 120.64 119.26 2bkd n GLU 73 Ca 0.00 -3.97 -0.24 0.00 -0.16 0.00 0.00 57.16 52.79 2bkd n GLU 73 Cb 0.00 -1.82 -0.09 0.00 1.43 0.00 0.00 31.44 30.97 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2bkd n LYS 74 N -0.28 2.41 -1.27 3.44 3.00 -1.26 -4.92 118.16 119.29 2bkd n LYS 74 Ca 0.26 -2.03 0.16 0.00 -0.00 0.00 0.00 58.31 56.70 2bkd n LYS 74 Cb 0.72 -2.14 -0.06 0.00 0.00 0.00 0.00 35.03 33.55 2bkd n LYS 74 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2bkd n GLU 75 N 1.39 -2.73 0.00 1.64 0.28 -1.26 -4.41 120.64 115.55 2bkd n GLU 75 Ca 0.48 2.03 0.06 0.00 -0.16 0.00 0.00 57.16 59.57 2bkd n GLU 75 Cb 0.63 -3.27 0.38 0.00 1.43 0.00 0.00 31.44 30.62 2bkd n GLU 75 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2bkd n PRO 76 N -4.07 0.48 -3.63 3.44 -0.02 -1.26 -4.49 135.00 125.45 2bkd n PRO 76 Ca -0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 2bkd n PRO 76 Cb 0.59 -1.42 -0.09 0.00 -0.02 0.00 0.00 33.50 32.56 2bkd n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bkd n TRP 79 N 0.00 -1.77 -2.01 0.00 -0.00 -1.26 -5.00 117.44 107.41 2bkd n TRP 79 Ca 0.00 0.62 -0.28 0.00 -0.00 0.00 0.00 57.50 57.84 2bkd n TRP 79 Cb 0.00 -3.61 0.07 0.00 -0.00 0.00 0.00 31.31 27.77 2bkd n TRP 79 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2bkd s TRP 80 N -3.24 3.06 -0.09 5.87 0.51 0.00 -4.74 118.94 120.32 2bkd s TRP 80 Ca 0.29 0.75 0.01 0.00 -2.12 0.00 0.00 56.10 55.03 2bkd s TRP 80 Cb -0.04 -3.26 -0.02 0.00 -0.81 0.00 0.00 33.47 29.34 2bkd s TRP 80 CO 0.52 -1.46 -0.12 -0.48 -0.51 0.00 0.00 176.95 174.90 2bkd s LEU 81 N -5.40 2.84 0.11 2.99 0.05 -1.26 -0.67 118.68 117.34 2bkd s LEU 81 Ca 0.60 -0.20 0.05 0.00 0.05 0.00 0.00 54.13 54.62 2bkd s LEU 81 Cb -0.11 -1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 42.38 2bkd s LEU 81 CO 0.48 0.28 -0.12 0.00 -0.55 0.00 0.00 176.35 176.44 2bkd s ALA 82 N -0.32 1.30 -0.21 1.48 0.00 -0.39 -2.87 121.76 120.74 2bkd s ALA 82 Ca 0.03 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 2bkd s ALA 82 Cb -0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2bkd s ALA 82 CO 0.02 0.03 0.02 0.15 0.00 0.00 0.00 175.76 175.98 2bkd s LYS 83 N -2.73 3.65 -0.07 0.00 3.01 -0.10 -0.92 119.74 122.58 2bkd s LYS 83 Ca 0.07 -0.50 -0.12 0.00 -1.01 0.00 0.00 55.97 54.41 2bkd s LYS 83 Cb -0.04 -3.13 -0.05 0.00 -1.01 0.00 0.00 37.83 33.61 2bkd s LYS 83 CO 0.01 0.01 0.30 0.08 0.51 0.00 0.00 175.35 176.26 2bkd s VAL 84 N 1.04 5.24 -0.24 3.17 1.01 0.10 -0.58 120.40 130.13 2bkd s VAL 84 Ca 0.02 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 2bkd s VAL 84 Cb -0.14 -3.59 -0.16 0.00 0.00 0.00 0.00 36.38 32.48 2bkd s VAL 84 CO 0.02 0.56 -0.12 0.54 0.00 0.00 0.00 175.10 176.10 2bkd n ARG 85 N 2.20 0.61 -3.86 2.72 3.00 -0.62 -3.47 116.66 117.24 2bkd n ARG 85 Ca -0.16 0.32 -0.09 0.00 -0.01 0.00 0.00 57.85 57.91 2bkd n ARG 85 Cb 0.53 -1.58 -0.05 0.00 0.00 0.00 0.00 32.46 31.36 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bkd s MET 86 N -2.48 1.31 -0.17 5.56 0.23 -1.25 -3.74 119.30 118.76 2bkd s MET 86 Ca -0.34 -1.04 0.01 0.00 -1.03 0.00 0.00 55.69 53.29 2bkd s MET 86 Cb 0.11 0.46 0.01 0.00 -1.53 0.00 0.00 34.83 33.87 2bkd s MET 86 CO 0.56 -0.52 -0.18 0.42 -2.03 0.00 0.00 175.02 173.26 2bkd s ILE 87 N -3.93 2.27 -0.48 3.16 1.09 -1.26 -1.93 121.20 120.11 2bkd s ILE 87 Ca 0.14 -0.88 0.04 0.00 -1.10 0.00 0.00 60.65 58.84 2bkd s ILE 87 Cb 0.01 -1.95 0.12 0.00 -1.06 0.00 0.00 42.46 39.58 2bkd s ILE 87 CO -0.00 0.53 0.22 -0.54 -0.10 0.00 0.00 174.94 175.05 2bkd s LYS 88 N 1.09 1.90 -0.53 2.79 1.02 0.76 -4.98 119.74 121.79 2bkd s LYS 88 Ca -0.00 -2.46 -0.25 0.00 0.02 0.00 0.00 55.97 53.28 2bkd s LYS 88 Cb -0.14 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2bkd s LYS 88 CO -0.07 -1.08 0.64 0.41 -0.92 0.00 0.00 175.35 174.34 2bkd n GLY 89 N 3.37 -0.50 4.12 -3.33 0.00 -1.26 -1.57 105.19 106.03 2bkd n GLY 89 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.12 2bkd n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bkd n GLU 90 N -0.74 0.00 -4.04 1.61 4.71 -1.26 -4.99 120.64 115.93 2bkd n GLU 90 Ca -0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.73 2bkd n GLU 90 Cb 0.63 -1.74 -0.10 0.00 -1.01 0.00 0.00 31.44 29.22 2bkd n GLU 90 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 2bkd s PHE 91 N -1.07 3.24 -0.05 -0.32 5.36 -0.61 -1.47 117.98 123.07 2bkd s PHE 91 Ca 0.00 0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 2bkd s PHE 91 Cb 0.00 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.62 2bkd s PHE 91 CO 0.00 0.16 -0.13 0.71 -1.46 0.00 0.00 175.22 174.49 2bkd s TYR 92 N 0.32 1.46 -0.19 10.12 1.51 -0.07 -0.17 117.35 130.34 2bkd s TYR 92 Ca 0.03 -0.49 -0.08 0.00 -1.01 0.00 0.00 57.07 55.53 2bkd s TYR 92 Cb -0.12 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 2bkd s TYR 92 CO 0.00 -0.22 0.07 0.14 -1.11 0.00 0.00 175.55 174.43 2bkd s VAL 93 N 0.42 4.76 0.09 0.71 -7.23 -0.82 -1.68 120.40 116.65 2bkd s VAL 93 Ca -0.10 -0.04 0.07 0.00 -1.81 0.00 0.00 61.98 60.10 2bkd s VAL 93 Cb -0.14 -3.16 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 2bkd s VAL 93 CO 0.03 0.44 -0.18 0.27 -0.31 0.00 0.00 175.10 175.35 2bkd s ILE 94 N 0.56 1.46 -0.11 -0.62 -0.00 -0.14 -1.58 121.20 120.77 2bkd s ILE 94 Ca 0.03 -1.42 -0.01 0.00 -0.00 0.00 0.00 60.65 59.26 2bkd s ILE 94 Cb -0.13 -1.35 -0.02 0.00 -0.00 0.00 0.00 42.46 40.96 2bkd s ILE 94 CO 0.01 -0.11 -0.08 -0.70 -0.00 0.00 0.00 174.94 174.06 2bkd s GLU 95 N -1.78 3.23 0.02 0.37 2.12 0.26 -1.72 118.70 121.20 2bkd s GLU 95 Ca 0.03 -0.59 -0.04 0.00 0.36 0.00 0.00 54.97 54.73 2bkd s GLU 95 Cb -0.10 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 2bkd s GLU 95 CO 0.03 0.39 0.23 0.71 -0.54 0.00 0.00 175.26 176.08 2bkd s TYR 96 N -0.07 3.55 -0.40 5.30 2.02 -1.18 -0.93 117.35 125.64 2bkd s TYR 96 Ca -0.00 0.45 -0.23 0.00 -0.37 0.00 0.00 57.07 56.91 2bkd s TYR 96 Cb -0.13 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 2bkd s TYR 96 CO 0.03 0.61 0.79 0.00 -1.57 0.00 0.00 175.55 175.41 2bkd s ALA 97 N -1.36 3.37 0.00 3.71 0.00 -1.14 -4.77 121.76 121.56 2bkd s ALA 97 Ca 0.29 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2bkd s ALA 97 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2bkd s ALA 97 CO 0.19 -1.68 0.00 0.00 0.00 0.00 0.00 175.76 174.27 2bkd n ALA 98 N 6.56 0.00 -3.00 0.00 0.00 -1.26 -4.92 120.51 117.90 2bkd n ALA 98 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 2bkd n ALA 98 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 2bkd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkd n ASP 100 N 4.12 -3.32 0.00 0.00 8.00 -1.26 -5.03 116.55 119.05 2bkd n ASP 100 Ca -0.17 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2bkd n ASP 100 Cb 0.52 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bkd n ALA 101 N -3.98 0.00 -2.49 2.24 0.00 -1.26 -5.12 120.51 109.89 2bkd n ALA 101 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 2bkd n ALA 101 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 2bkd n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2bkd s THR 102 N 1.98 5.00 -0.10 0.00 -4.23 -1.26 -5.00 115.64 112.03 2bkd s THR 102 Ca 0.00 0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2bkd s THR 102 Cb 0.00 -3.66 -0.06 0.00 1.34 0.00 0.00 72.50 70.12 2bkd s THR 102 CO 0.00 0.16 -0.10 -1.22 -0.54 0.00 0.00 174.62 172.92 2bkd n TYR 103 N 0.53 0.00 -2.76 3.99 4.02 -1.26 -3.12 117.16 118.56 2bkd n TYR 103 Ca -0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.47 2bkd n TYR 103 Cb 0.52 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 2bkd n TYR 103 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2bkd n ASN 104 N -2.97 6.51 -4.77 7.72 4.13 -1.26 -3.88 115.26 120.74 2bkd n ASN 104 Ca -0.19 -3.66 -0.38 0.00 1.68 0.00 0.00 54.58 52.03 2bkd n ASN 104 Cb 0.68 -1.02 -0.06 0.00 -1.54 0.00 0.00 39.78 37.84 2bkd n ASN 104 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2bkd s GLU 105 N -3.97 4.19 -0.24 3.52 2.56 -0.70 -4.95 118.70 119.10 2bkd s GLU 105 Ca 0.41 0.42 -0.05 0.00 0.00 0.00 0.00 54.97 55.75 2bkd s GLU 105 Cb 0.20 -3.35 -0.01 0.00 2.00 0.00 0.00 34.13 32.97 2bkd s GLU 105 CO -0.11 0.37 0.01 0.96 -0.56 0.00 0.00 175.26 175.93 2bkd s ILE 106 N -0.07 3.70 0.08 -3.70 -4.36 -1.26 -0.96 121.20 114.63 2bkd s ILE 106 Ca 0.24 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 2bkd s ILE 106 Cb -0.16 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.76 2bkd s ILE 106 CO 0.11 0.33 -0.03 -0.69 0.24 0.00 0.00 174.94 174.90 2bkd s VAL 107 N 1.51 0.39 0.30 8.37 1.01 -0.68 -5.00 120.40 126.30 2bkd s VAL 107 Ca 0.05 -1.87 0.07 0.00 0.00 0.00 0.00 61.98 60.23 2bkd s VAL 107 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2bkd s VAL 107 CO -0.01 -0.87 0.24 0.42 0.00 0.00 0.00 175.10 174.88 2bkd s THR 108 N -3.82 3.89 0.06 3.92 -4.23 -1.26 -0.89 115.64 113.31 2bkd s THR 108 Ca 0.11 -1.41 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 2bkd s THR 108 Cb 0.07 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 2bkd s THR 108 CO -0.06 -0.25 0.66 0.00 -0.54 0.00 0.00 174.62 174.43 2bkd n ILE 109 N -1.28 -0.25 0.91 2.99 0.13 -0.54 -2.79 119.36 118.53 2bkd n ILE 109 Ca -0.04 1.03 0.13 0.00 -1.10 0.00 0.00 62.75 62.77 2bkd n ILE 109 Cb 0.59 -1.29 0.56 0.00 -0.84 0.00 0.00 39.64 38.66 2bkd n ILE 109 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2bkd n GLU 110 N -4.14 0.00 0.10 9.51 1.02 -1.26 -1.50 120.64 124.38 2bkd n GLU 110 Ca 0.01 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.32 2bkd n GLU 110 Cb 0.10 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.32 2bkd n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bkd h ARG 111 N 0.00 0.00 -5.95 3.49 3.08 -1.85 -3.47 114.38 109.68 2bkd h ARG 111 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2bkd h ARG 111 Cb 0.45 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 2bkd h ARG 111 CO 0.00 0.00 -0.55 -0.51 -1.07 0.00 0.00 179.97 177.84 2bkd s LEU 112 N -4.63 4.02 0.10 3.04 1.43 -0.56 -3.60 118.68 118.49 2bkd s LEU 112 Ca 0.09 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 2bkd s LEU 112 Cb 0.12 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2bkd s LEU 112 CO 0.64 0.27 -0.09 -0.13 0.23 0.00 0.00 176.35 177.28 2bkd s ARG 113 N -1.79 0.84 -0.38 1.70 1.81 -0.24 -5.01 118.95 115.88 2bkd s ARG 113 Ca 0.24 -1.21 0.12 0.00 -1.72 0.00 0.00 55.73 53.17 2bkd s ARG 113 Cb -0.12 -0.42 0.38 0.00 -0.45 0.00 0.00 34.95 34.34 2bkd s ARG 113 CO 0.15 0.05 0.93 0.43 -0.68 0.00 0.00 175.30 176.18 2bkd n SER 114 N 0.38 0.11 -3.61 0.23 7.64 -1.26 -1.28 113.62 115.83 2bkd n SER 114 Ca -0.15 -2.99 -0.08 0.00 1.01 0.00 0.00 58.87 56.66 2bkd n SER 114 Cb 0.59 0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.75 2bkd n SER 114 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2bkd s VAL 115 N -1.83 -0.65 -0.12 0.44 0.11 -1.26 -5.04 120.40 112.05 2bkd s VAL 115 Ca 0.31 0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 2bkd s VAL 115 Cb 0.38 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 2bkd s VAL 115 CO -0.04 0.04 -0.05 0.78 -3.33 0.00 0.00 175.10 172.50 2bkd h ASN 116 N 8.17 0.00 0.00 3.54 2.35 -1.98 -3.41 115.58 124.25 2bkd h ASN 116 Ca -0.16 -0.03 -0.71 0.00 -0.55 0.00 0.00 56.30 54.85 2bkd h ASN 116 Cb 1.12 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 2bkd h ASN 116 CO 0.14 0.63 3.15 -0.81 -1.65 0.00 0.00 177.43 178.90 2bkd n PRO 117 N -4.70 2.86 -2.68 0.81 -0.04 -1.26 -4.93 135.00 125.05 2bkd n PRO 117 Ca -0.04 -2.56 -0.32 0.00 -0.04 0.00 0.00 63.50 60.54 2bkd n PRO 117 Cb 0.13 -3.26 -0.04 0.00 -0.04 0.00 0.00 33.50 30.29 2bkd n PRO 117 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bkd s ASN 118 N 3.19 6.66 0.48 3.54 4.22 -1.26 -5.05 114.94 126.71 2bkd s ASN 118 Ca 0.48 1.43 -0.19 0.00 -2.14 0.00 0.00 52.86 52.44 2bkd s ASN 118 Cb 0.14 -2.44 -0.09 0.00 1.28 0.00 0.00 41.25 40.14 2bkd s ASN 118 CO -0.08 -0.45 0.99 -0.54 -2.04 0.00 0.00 177.10 174.97 2bkd s LYS 119 N -3.75 3.99 0.00 3.55 -0.14 -1.22 -4.92 119.74 117.26 2bkd s LYS 119 Ca 0.57 1.14 0.00 0.00 -1.36 0.00 0.00 55.97 56.32 2bkd s LYS 119 Cb -0.10 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2bkd s LYS 119 CO 0.27 -0.24 0.00 -0.35 -0.76 0.00 0.00 175.35 174.27 2bkd n PRO 120 N -1.05 0.00 -4.13 -1.68 -0.04 -1.26 -1.57 135.00 125.27 2bkd n PRO 120 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2bkd n PRO 120 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 2bkd n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd s ALA 121 N -4.00 0.73 0.00 0.55 0.00 -1.26 -3.44 121.76 114.34 2bkd s ALA 121 Ca 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 2bkd s ALA 121 Cb 0.00 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.34 2bkd s ALA 121 CO 0.00 -0.64 0.01 0.25 0.00 0.00 0.00 175.76 175.38 2bkd n THR 122 N -0.27 -6.53 0.00 0.00 -2.24 -1.26 -4.73 114.28 99.24 2bkd n THR 122 Ca -0.00 1.23 0.00 0.00 -2.27 0.00 0.00 64.05 63.01 2bkd n THR 122 Cb 0.65 -4.26 0.00 0.00 -2.10 0.00 0.00 70.33 64.61 2bkd n THR 122 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2bkd n LYS 123 N 0.71 0.00 0.24 -0.78 5.02 -1.26 -4.74 118.16 117.35 2bkd n LYS 123 Ca -0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 2bkd n LYS 123 Cb 0.02 0.00 0.56 0.00 -0.02 0.00 0.00 35.03 35.59 2bkd n LYS 123 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bkd h ASP 124 N 0.00 0.00 -0.41 4.39 3.32 -1.91 -0.23 116.42 121.58 2bkd h ASP 124 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2bkd h ASP 124 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2bkd h ASP 124 CO 0.00 0.12 -0.10 0.71 -1.72 0.00 0.00 179.24 178.24 2bkd h THR 125 N 0.00 1.26 -0.53 0.35 1.35 -1.86 -3.46 112.91 110.02 2bkd h THR 125 Ca -0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2bkd h THR 125 Cb 0.21 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2bkd h THR 125 CO 0.02 0.42 0.00 0.49 -0.25 0.00 0.00 175.52 176.19 2bkd n PHE 126 N -4.16 1.88 -2.51 4.73 3.72 -0.10 -5.04 117.46 115.99 2bkd n PHE 126 Ca 0.02 -0.74 -0.20 0.00 -0.05 0.00 0.00 57.45 56.47 2bkd n PHE 126 Cb 0.37 -0.47 0.02 0.00 -0.94 0.00 0.00 39.48 38.46 2bkd n PHE 126 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2bkd n LYS 128 N 0.48 -1.01 -3.29 -1.08 5.02 -1.26 -5.08 118.16 111.95 2bkd n LYS 128 Ca 0.27 0.70 -0.38 0.00 -2.02 0.00 0.00 58.31 56.88 2bkd n LYS 128 Cb 1.14 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.99 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bkd s ILE 129 N -1.09 5.01 -0.31 -0.18 1.01 -1.26 -5.05 121.20 119.34 2bkd s ILE 129 Ca 0.17 1.09 -0.04 0.00 0.00 0.00 0.00 60.65 61.87 2bkd s ILE 129 Cb -0.02 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.63 2bkd s ILE 129 CO 0.48 0.42 0.05 -0.75 0.00 0.00 0.00 174.94 175.13 2bkd s LYS 130 N -0.09 2.66 -0.28 2.79 2.36 -1.26 -5.08 119.74 120.84 2bkd s LYS 130 Ca 0.28 -1.13 -0.09 0.00 -2.55 0.00 0.00 55.97 52.48 2bkd s LYS 130 Cb -0.17 -3.31 -0.02 0.00 -1.05 0.00 0.00 37.83 33.28 2bkd s LYS 130 CO 0.14 -0.59 0.11 -1.17 1.55 0.00 0.00 175.35 175.40 2bkd s LEU 131 N 1.36 3.77 0.00 5.43 2.96 -1.26 -4.95 118.68 125.99 2bkd s LEU 131 Ca -0.02 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2bkd s LEU 131 Cb -0.19 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2bkd s LEU 131 CO 0.01 -0.10 0.00 0.47 -1.32 0.00 0.00 176.35 175.40 2bkd n ASP 132 N 4.96 0.00 -4.24 3.68 8.00 -1.26 -5.07 116.55 122.61 2bkd n ASP 132 Ca -0.15 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.20 2bkd n ASP 132 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 2bkd n ASP 132 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2bkd s VAL 133 N 0.00 1.17 -2.00 2.53 -7.23 -1.26 -5.25 120.40 108.36 2bkd s VAL 133 Ca 0.00 -1.96 0.20 0.00 -1.81 0.00 0.00 61.98 58.41 2bkd s VAL 133 Cb 0.00 -1.74 0.57 0.00 0.56 0.00 0.00 36.38 35.78 2bkd s VAL 133 CO 0.00 -0.67 1.59 -0.81 -0.31 0.00 0.00 175.10 174.90