#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd s GLU 2 N 0.00 4.38 -0.37 3.17 1.03 -1.26 -5.05 118.70 120.60 2bkd s GLU 2 Ca 0.00 0.74 0.03 0.00 0.03 0.00 0.00 54.97 55.77 2bkd s GLU 2 Cb 0.00 -3.47 0.15 0.00 -0.80 0.00 0.00 34.13 30.02 2bkd s GLU 2 CO 0.00 0.03 0.36 -2.00 -1.33 0.00 0.00 175.26 172.32 2bkd s GLU 3 N 0.96 0.63 -0.05 -4.83 2.12 -1.26 -4.92 118.70 111.35 2bkd s GLU 3 Ca 0.33 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.80 2bkd s GLU 3 Cb -0.17 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.42 2bkd s GLU 3 CO 0.15 -1.20 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.01 2bkd s LEU 4 N 1.40 2.69 -0.23 2.70 2.01 -1.26 -5.03 118.68 120.97 2bkd s LEU 4 Ca 0.17 -0.22 -0.10 0.00 0.01 0.00 0.00 54.13 53.99 2bkd s LEU 4 Cb -0.16 -1.54 -0.05 0.00 0.01 0.00 0.00 46.19 44.45 2bkd s LEU 4 CO -0.03 0.34 0.13 -0.69 1.01 0.00 0.00 176.35 177.11 2bkd s VAL 5 N -0.69 5.17 0.41 -1.59 1.01 -1.26 -0.89 120.40 122.56 2bkd s VAL 5 Ca 0.11 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2bkd s VAL 5 Cb -0.11 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2bkd s VAL 5 CO 0.01 0.37 0.17 0.68 0.00 0.00 0.00 175.10 176.33 2bkd s VAL 6 N 0.92 2.28 -0.14 2.92 -7.23 -0.40 -4.51 120.40 114.24 2bkd s VAL 6 Ca 0.07 -1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 2bkd s VAL 6 Cb -0.13 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 2bkd s VAL 6 CO 0.03 0.00 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.20 2bkd s GLU 7 N -3.90 3.51 -0.04 4.82 2.02 -0.17 -0.87 118.70 124.06 2bkd s GLU 7 Ca 0.41 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.96 2bkd s GLU 7 Cb 0.04 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.36 2bkd s GLU 7 CO 0.22 0.38 -0.12 0.14 0.02 0.00 0.00 175.26 175.90 2bkd s VAL 8 N -0.00 1.06 0.24 2.63 -7.23 -0.06 -0.14 120.40 116.89 2bkd s VAL 8 Ca 0.02 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.49 2bkd s VAL 8 Cb -0.13 -0.93 -0.09 0.00 0.56 0.00 0.00 36.38 35.79 2bkd s VAL 8 CO 0.02 0.32 0.76 -0.60 -0.31 0.00 0.00 175.10 175.30 2bkd s ARG 9 N 0.24 4.31 0.00 4.82 3.00 -0.24 -0.82 118.95 130.27 2bkd s ARG 9 Ca -0.06 0.95 0.00 0.00 -1.00 0.00 0.00 55.73 55.62 2bkd s ARG 9 Cb -0.11 -2.87 0.00 0.00 0.00 0.00 0.00 34.95 31.97 2bkd s ARG 9 CO 0.02 0.38 0.00 0.41 0.00 0.00 0.00 175.30 176.10 2bkd n GLY 10 N 0.70 -0.64 2.96 8.12 0.00 -1.10 -4.96 105.19 110.28 2bkd n GLY 10 Ca -0.02 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2bkd n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bkd n SER 11 N 0.00 4.95 -2.72 1.61 2.88 -1.26 -4.10 113.62 114.99 2bkd n SER 11 Ca 0.00 -3.05 -0.08 0.00 -1.33 0.00 0.00 58.87 54.41 2bkd n SER 11 Cb 0.00 -1.52 0.09 0.00 -0.75 0.00 0.00 64.21 62.02 2bkd n SER 11 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bkd n ASN 12 N 4.57 -0.98 0.00 -3.46 5.15 -1.26 -4.98 115.26 114.30 2bkd n ASN 12 Ca 0.41 -2.70 0.00 0.00 -0.60 0.00 0.00 54.58 51.70 2bkd n ASN 12 Cb 0.38 0.65 0.00 0.00 -0.53 0.00 0.00 39.78 40.28 2bkd n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bkd n GLY 13 N -0.31 2.64 0.00 8.20 0.00 -1.26 -4.68 105.19 109.78 2bkd n GLY 13 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 0.00 -2.56 4.61 0.00 -1.26 -5.10 120.51 116.16 2bkd n ALA 14 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2bkd n ALA 14 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2bkd n ALA 14 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2bkd s PHE 15 N 0.76 3.45 -0.02 0.00 -0.71 -1.26 -2.72 117.98 117.48 2bkd s PHE 15 Ca 0.00 0.68 0.05 0.00 -1.04 0.00 0.00 56.93 56.62 2bkd s PHE 15 Cb 0.00 -2.11 -0.01 0.00 -1.21 0.00 0.00 43.02 39.69 2bkd s PHE 15 CO 0.00 0.34 -0.18 1.52 -1.34 0.00 0.00 175.22 175.56 2bkd s TYR 16 N -1.78 1.66 0.06 3.49 1.13 0.00 -4.88 117.35 117.04 2bkd s TYR 16 Ca 0.44 -0.37 -0.31 0.00 -1.41 0.00 0.00 57.07 55.43 2bkd s TYR 16 Cb -0.12 -1.08 -0.06 0.00 -1.10 0.00 0.00 41.96 39.60 2bkd s TYR 16 CO 0.24 -0.07 1.28 0.15 -2.51 0.00 0.00 175.55 174.64 2bkd s LYS 17 N -0.28 4.37 0.01 -3.49 1.02 -1.26 -0.89 119.74 119.22 2bkd s LYS 17 Ca 0.04 1.88 0.04 0.00 0.02 0.00 0.00 55.97 57.94 2bkd s LYS 17 Cb -0.08 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2bkd s LYS 17 CO 0.00 -0.37 -0.12 0.00 -0.92 0.00 0.00 175.35 173.94 2bkd s ALA 18 N 1.36 1.03 -0.13 5.17 0.00 -0.05 -4.86 121.76 124.26 2bkd s ALA 18 Ca 0.61 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2bkd s ALA 18 Cb -0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2bkd s ALA 18 CO 0.29 0.23 -0.11 -0.06 0.00 0.00 0.00 175.76 176.10 2bkd s PHE 19 N -0.49 2.85 -0.05 0.00 0.08 -0.08 -1.28 117.98 119.01 2bkd s PHE 19 Ca 0.03 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.23 2bkd s PHE 19 Cb -0.06 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 2bkd s PHE 19 CO 0.00 -0.16 1.44 0.08 -0.10 0.00 0.00 175.22 176.48 2bkd s VAL 20 N 0.31 3.79 -0.19 -0.44 1.01 -0.07 -0.49 120.40 124.32 2bkd s VAL 20 Ca -0.09 1.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 2bkd s VAL 20 Cb -0.15 -3.70 -0.20 0.00 0.00 0.00 0.00 36.38 32.32 2bkd s VAL 20 CO 0.05 -0.04 0.21 1.17 0.00 0.00 0.00 175.10 176.49 2bkd n LYS 21 N 6.06 0.62 -3.66 2.72 4.81 0.01 -4.46 118.16 124.26 2bkd n LYS 21 Ca 0.14 0.48 -0.15 0.00 -0.87 0.00 0.00 58.31 57.91 2bkd n LYS 21 Cb 0.44 -1.72 -0.08 0.00 0.02 0.00 0.00 35.03 33.69 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bkd s ASP 22 N -6.94 -0.49 0.15 3.14 2.15 -0.46 -4.97 116.67 109.25 2bkd s ASP 22 Ca -0.28 0.70 0.11 0.00 0.43 0.00 0.00 52.55 53.51 2bkd s ASP 22 Cb 0.07 0.72 -0.04 0.00 -0.30 0.00 0.00 42.92 43.36 2bkd s ASP 22 CO 0.63 -0.38 -0.26 0.68 -0.17 0.00 0.00 175.17 175.67 2bkd s VAL 23 N -0.59 2.26 -0.18 1.11 -7.23 -1.26 -0.61 120.40 113.89 2bkd s VAL 23 Ca -0.07 -1.85 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 2bkd s VAL 23 Cb -0.03 -2.02 -0.22 0.00 0.56 0.00 0.00 36.38 34.67 2bkd s VAL 23 CO 0.04 0.01 0.42 -0.08 -0.31 0.00 0.00 175.10 175.18 2bkd h GLU 25 N 3.65 0.01 -0.07 4.82 4.81 -2.04 -3.50 114.58 122.26 2bkd h GLU 25 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2bkd h GLU 25 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2bkd h GLU 25 CO 0.42 1.01 0.00 -0.25 -0.73 0.00 0.00 179.01 179.46 2bkd n ASP 26 N -4.48 1.85 -3.95 1.04 8.00 -1.26 -5.05 116.55 112.70 2bkd n ASP 26 Ca -0.24 -1.54 -0.09 0.00 0.71 0.00 0.00 54.79 53.63 2bkd n ASP 26 Cb 0.62 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bkd s SER 27 N -0.67 0.03 -0.04 -2.24 0.01 -1.26 -4.59 113.70 104.95 2bkd s SER 27 Ca 0.08 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 56.51 2bkd s SER 27 Cb 0.05 0.44 0.01 0.00 0.21 0.00 0.00 66.02 66.73 2bkd s SER 27 CO 0.07 -0.89 -0.08 -0.51 0.41 0.00 0.00 173.24 172.24 2bkd s ILE 28 N -3.96 0.75 -0.15 1.44 2.07 -0.14 -4.69 121.20 116.53 2bkd s ILE 28 Ca 0.16 -0.30 -0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2bkd s ILE 28 Cb 0.03 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 2bkd s ILE 28 CO -0.01 0.25 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.26 2bkd s THR 29 N 0.51 2.92 0.14 4.00 2.01 0.22 -1.54 115.64 123.90 2bkd s THR 29 Ca -0.08 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2bkd s THR 29 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2bkd s THR 29 CO 0.01 0.51 0.06 0.68 -0.69 0.00 0.00 174.62 175.19 2bkd s VAL 30 N 0.65 0.10 0.17 3.82 -7.23 -0.04 -0.81 120.40 117.07 2bkd s VAL 30 Ca -0.07 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 2bkd s VAL 30 Cb -0.15 -2.10 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2bkd s VAL 30 CO 0.02 -0.41 0.47 0.00 -0.31 0.00 0.00 175.10 174.88 2bkd s ALA 31 N -4.06 -0.85 0.11 1.32 0.00 0.35 -0.96 121.76 117.68 2bkd s ALA 31 Ca 0.26 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2bkd s ALA 31 Cb 0.07 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 2bkd s ALA 31 CO 0.03 -0.75 -0.09 -0.06 0.00 0.00 0.00 175.76 174.90 2bkd s PHE 32 N -3.86 2.76 0.30 0.00 0.08 -0.95 -0.90 117.98 115.41 2bkd s PHE 32 Ca 0.08 -0.15 -0.29 0.00 0.12 0.00 0.00 56.93 56.69 2bkd s PHE 32 Cb 0.00 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 40.92 2bkd s PHE 32 CO -0.05 0.44 1.34 -2.00 -0.10 0.00 0.00 175.22 174.85 2bkd s GLU 33 N -2.30 4.33 -1.43 0.44 2.56 -1.26 -4.83 118.70 116.22 2bkd s GLU 33 Ca 0.22 2.23 -0.14 0.00 0.00 0.00 0.00 54.97 57.28 2bkd s GLU 33 Cb -0.11 -3.09 -0.00 0.00 2.00 0.00 0.00 34.13 32.93 2bkd s GLU 33 CO 0.15 -0.26 2.34 -1.71 -0.56 0.00 0.00 175.26 175.22 2bkd n ASN 34 N 1.36 4.72 0.04 -1.70 2.85 -1.26 -4.27 115.26 117.00 2bkd n ASN 34 Ca 0.02 -2.77 -0.08 0.00 -0.11 0.00 0.00 54.58 51.64 2bkd n ASN 34 Cb 0.41 -1.59 -0.13 0.00 1.24 0.00 0.00 39.78 39.72 2bkd n ASN 34 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 2bkd h ASN 35 N 5.96 0.05 0.00 1.20 -1.24 -2.01 -3.47 115.58 116.06 2bkd h ASN 35 Ca 0.62 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.57 2bkd h ASN 35 Cb 0.56 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.60 2bkd h ASN 35 CO 1.87 1.05 0.00 -2.67 -1.29 0.00 0.00 177.43 176.38 2bkd n TRP 36 N -3.29 -0.08 -4.08 0.67 4.27 -1.26 -5.12 117.44 108.55 2bkd n TRP 36 Ca -0.06 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.47 2bkd n TRP 36 Cb 0.98 0.19 -0.10 0.00 -1.36 0.00 0.00 31.31 31.01 2bkd n TRP 36 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2bkd s GLN 37 N -0.38 0.58 0.00 -2.67 1.03 -1.26 -5.13 119.66 111.83 2bkd s GLN 37 Ca 0.00 -1.08 0.00 0.00 0.04 0.00 0.00 55.36 54.32 2bkd s GLN 37 Cb 0.00 0.08 0.00 0.00 0.03 0.00 0.00 33.01 33.12 2bkd s GLN 37 CO 0.00 -0.07 0.02 -0.35 -2.54 0.00 0.00 175.29 172.35 2bkd n PRO 38 N 0.48 0.00 -4.16 9.60 -0.04 -1.26 -4.41 135.00 135.21 2bkd n PRO 38 Ca -0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 2bkd n PRO 38 Cb 0.59 -0.21 -0.06 0.00 -0.04 0.00 0.00 33.50 33.79 2bkd n PRO 38 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bkd s ASP 39 N -1.28 5.17 -0.08 3.54 1.01 -1.26 -2.23 116.67 121.54 2bkd s ASP 39 Ca 0.00 -0.32 -0.06 0.00 0.71 0.00 0.00 52.55 52.88 2bkd s ASP 39 Cb 0.00 -1.22 0.03 0.00 1.01 0.00 0.00 42.92 42.73 2bkd s ASP 39 CO 0.00 0.03 0.19 -0.60 0.21 0.00 0.00 175.17 175.00 2bkd s ARG 40 N -3.38 0.20 -0.13 8.23 6.06 -0.13 -4.97 118.95 124.82 2bkd s ARG 40 Ca 0.31 0.32 0.02 0.00 -2.50 0.00 0.00 55.73 53.88 2bkd s ARG 40 Cb -0.09 0.03 0.01 0.00 0.06 0.00 0.00 34.95 34.96 2bkd s ARG 40 CO 0.22 -0.07 -0.19 -1.14 -2.50 0.00 0.00 175.30 171.62 2bkd s GLN 41 N 0.44 2.74 0.07 5.12 0.74 -1.26 -0.87 119.66 126.65 2bkd s GLN 41 Ca -0.03 -0.75 0.08 0.00 0.05 0.00 0.00 55.36 54.71 2bkd s GLN 41 Cb -0.04 -2.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.78 2bkd s GLN 41 CO -0.02 -0.05 -0.21 0.96 -0.55 0.00 0.00 175.29 175.41 2bkd s ILE 42 N 0.92 1.74 1.07 -2.34 -4.36 -0.59 -5.01 121.20 112.64 2bkd s ILE 42 Ca -0.06 -1.37 -0.16 0.00 -0.26 0.00 0.00 60.65 58.80 2bkd s ILE 42 Cb -0.15 -1.54 0.23 0.00 1.25 0.00 0.00 42.46 42.25 2bkd s ILE 42 CO -0.03 0.11 1.15 -2.16 0.24 0.00 0.00 174.94 174.25 2bkd s PRO 43 N -1.50 -0.20 0.00 0.37 0.04 -1.26 -0.96 135.00 131.49 2bkd s PRO 43 Ca 0.08 0.03 -0.02 0.00 0.04 0.00 0.00 61.00 61.12 2bkd s PRO 43 Cb -0.09 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 2bkd s PRO 43 CO 0.03 -3.05 1.55 1.19 0.04 0.00 0.00 177.00 176.76 2bkd n PHE 44 N -4.31 0.00 0.00 0.56 3.72 -1.26 -3.92 117.46 112.25 2bkd n PHE 44 Ca 0.11 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 2bkd n PHE 44 Cb 0.59 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 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 2.59 0.00 -4.80 4.37 9.92 -1.26 -4.14 116.55 123.23 2bkd n ASP 46 Ca 0.13 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.03 2bkd n ASP 46 Cb 0.33 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.75 2bkd n ASP 46 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2bkd s VAL 47 N 0.00 5.33 0.09 2.53 1.01 -1.25 -1.08 120.40 127.04 2bkd s VAL 47 Ca 0.00 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2bkd s VAL 47 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2bkd s VAL 47 CO 0.00 0.51 -0.15 -0.13 0.00 0.00 0.00 175.10 175.33 2bkd s ARG 48 N -0.38 0.94 -0.16 2.72 3.00 0.80 -2.57 118.95 123.30 2bkd s ARG 48 Ca 0.16 -1.09 -0.07 0.00 0.00 0.00 0.00 55.73 54.73 2bkd s ARG 48 Cb -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 34.95 33.82 2bkd s ARG 48 CO 0.05 0.21 0.09 0.12 0.00 0.00 0.00 175.30 175.76 2bkd s PHE 49 N -1.53 3.36 0.48 -0.53 5.36 -0.65 -1.00 117.98 123.45 2bkd s PHE 49 Ca 0.03 0.25 -0.24 0.00 -0.96 0.00 0.00 56.93 56.01 2bkd s PHE 49 Cb -0.08 -2.03 -0.07 0.00 -0.34 0.00 0.00 43.02 40.49 2bkd s PHE 49 CO 0.03 0.36 1.40 -2.14 -1.46 0.00 0.00 175.22 173.41 2bkd s PRO 50 N -0.11 3.54 0.01 10.12 0.02 -1.26 -4.42 135.00 142.90 2bkd s PRO 50 Ca 0.08 2.35 -0.25 0.00 0.02 0.00 0.00 61.00 63.20 2bkd s PRO 50 Cb -0.12 -2.54 -0.17 0.00 0.02 0.00 0.00 34.50 31.69 2bkd s PRO 50 CO 0.01 -0.91 1.26 -1.35 -0.33 0.00 0.00 177.00 175.68 2bkd h PRO 51 N 2.09 -0.34 -4.61 5.54 0.11 -1.98 -3.38 132.00 129.43 2bkd h PRO 51 Ca -0.51 0.02 -0.69 0.00 0.11 0.00 0.00 66.00 64.93 2bkd h PRO 51 Cb 1.27 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 2bkd h PRO 51 CO 0.60 -0.02 2.79 -0.35 -0.21 0.00 0.00 178.00 180.81 2bkd n PRO 52 N -5.10 2.88 0.03 1.05 -0.04 -1.26 -4.37 135.00 128.19 2bkd n PRO 52 Ca -0.09 -2.78 0.01 0.00 -0.04 0.00 0.00 63.50 60.61 2bkd n PRO 52 Cb 0.25 -3.35 -0.08 0.00 -0.04 0.00 0.00 33.50 30.28 2bkd n PRO 52 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2bkd n VAL 53 N 5.58 1.05 -2.67 0.52 3.14 -1.26 -4.79 118.33 119.89 2bkd n VAL 53 Ca 0.51 -0.67 -0.04 0.00 -2.96 0.00 0.00 64.34 61.18 2bkd n VAL 53 Cb 0.41 -0.62 0.11 0.00 -1.06 0.00 0.00 33.84 32.69 2bkd n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bkd n GLY 54 N 1.39 -1.30 3.74 7.55 0.00 -1.26 -5.14 105.19 110.16 2bkd n GLY 54 Ca -0.10 0.77 -0.40 0.00 0.00 0.00 0.00 46.02 46.29 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 0.06 3.86 0.00 1.61 2.02 -1.26 -5.01 117.35 118.63 2bkd s TYR 55 Ca 0.20 1.77 0.00 0.00 -0.37 0.00 0.00 57.07 58.67 2bkd s TYR 55 Cb 0.29 -2.97 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 2bkd s TYR 55 CO -0.19 0.33 0.00 0.09 -1.57 0.00 0.00 175.55 174.21 2bkd n ASN 56 N 2.28 0.00 -4.90 2.29 5.03 -1.26 -4.96 115.26 113.74 2bkd n ASN 56 Ca -0.01 0.11 -0.29 0.00 0.87 0.00 0.00 54.58 55.27 2bkd n ASN 56 Cb 0.49 -0.25 0.04 0.00 -1.02 0.00 0.00 39.78 39.04 2bkd n ASN 56 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2bkd s LYS 57 N -0.49 2.83 0.00 3.52 3.01 -1.26 -5.10 119.74 122.25 2bkd s LYS 57 Ca 0.00 0.27 0.00 0.00 -1.01 0.00 0.00 55.97 55.23 2bkd s LYS 57 Cb 0.00 -2.11 0.00 0.00 -1.01 0.00 0.00 37.83 34.71 2bkd s LYS 57 CO 0.00 -0.94 0.00 -3.47 0.51 0.00 0.00 175.35 171.45 2bkd n ASP 58 N -2.87 0.00 -4.77 2.83 -0.08 -1.26 -5.06 116.55 105.34 2bkd n ASP 58 Ca 0.06 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.95 2bkd n ASP 58 Cb 0.58 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.00 2bkd n ASP 58 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2bkd s ILE 59 N 2.93 3.43 -0.46 5.18 2.07 -1.26 -4.95 121.20 128.13 2bkd s ILE 59 Ca 0.00 1.30 0.03 0.00 -1.41 0.00 0.00 60.65 60.57 2bkd s ILE 59 Cb 0.00 -3.77 0.60 0.00 0.13 0.00 0.00 42.46 39.42 2bkd s ILE 59 CO 0.00 0.21 1.90 0.59 -1.91 0.00 0.00 174.94 175.72 2bkd n ASN 60 N 0.62 4.30 -0.05 4.50 4.13 -1.26 -5.02 115.26 122.49 2bkd n ASN 60 Ca 0.02 -3.56 0.00 0.00 1.68 0.00 0.00 54.58 52.72 2bkd n ASN 60 Cb 0.46 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2bkd n GLU 61 N -1.02 0.00 0.00 3.52 1.02 -1.26 -4.91 120.64 117.98 2bkd n GLU 61 Ca 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2bkd n GLU 61 Cb 1.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.89 2bkd n GLU 61 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2bkd n SER 62 N -2.03 0.00 -0.74 1.62 7.64 -1.26 -4.82 113.62 114.02 2bkd n SER 62 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bkd n SER 62 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2bkd n SER 62 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2bkd n ASP 63 N 2.39 0.00 -4.67 6.43 8.00 -1.26 -4.82 116.55 122.62 2bkd n ASP 63 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 2bkd n ASP 63 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2bkd s GLU 64 N 1.94 2.39 0.25 -1.24 -1.05 -1.26 -2.93 118.70 116.80 2bkd s GLU 64 Ca 0.00 -1.31 0.01 0.00 -0.15 0.00 0.00 54.97 53.53 2bkd s GLU 64 Cb 0.00 -2.25 -0.05 0.00 -0.44 0.00 0.00 34.13 31.39 2bkd s GLU 64 CO 0.00 0.39 0.08 0.14 0.95 0.00 0.00 175.26 176.82 2bkd s VAL 65 N -2.16 0.60 -0.19 1.83 -7.23 0.61 -4.65 120.40 109.20 2bkd s VAL 65 Ca 0.31 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2bkd s VAL 65 Cb -0.07 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2bkd s VAL 65 CO 0.20 -0.08 0.01 -1.61 -0.31 0.00 0.00 175.10 173.31 2bkd s GLU 66 N -4.01 3.68 -0.25 4.82 0.41 -0.28 -1.32 118.70 121.75 2bkd s GLU 66 Ca 0.36 -0.49 -0.05 0.00 -0.41 0.00 0.00 54.97 54.38 2bkd s GLU 66 Cb 0.08 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2bkd s GLU 66 CO 0.12 0.08 0.00 0.14 -0.49 0.00 0.00 175.26 175.11 2bkd s VAL 67 N 0.82 3.54 -0.12 2.63 -7.23 0.23 -0.62 120.40 119.65 2bkd s VAL 67 Ca 0.01 -0.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.46 2bkd s VAL 67 Cb -0.14 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 2bkd s VAL 67 CO 0.02 0.27 0.22 -0.31 -0.31 0.00 0.00 175.10 174.99 2bkd s TYR 68 N 1.47 3.56 0.19 2.82 1.51 -0.66 -1.58 117.35 124.66 2bkd s TYR 68 Ca 0.04 0.59 0.05 0.00 -1.01 0.00 0.00 57.07 56.74 2bkd s TYR 68 Cb -0.16 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 2bkd s TYR 68 CO -0.01 0.54 0.20 0.45 -1.11 0.00 0.00 175.55 175.62 2bkd s SER 69 N -0.50 5.73 0.40 2.29 0.15 -1.26 -4.87 113.70 115.64 2bkd s SER 69 Ca 0.16 -0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.46 2bkd s SER 69 Cb -0.13 -1.55 -0.08 0.00 -1.71 0.00 0.00 66.02 62.55 2bkd s SER 69 CO 0.05 0.02 1.20 0.00 1.20 0.00 0.00 173.24 175.71 2bkd s ARG 70 N -3.41 4.03 0.00 5.44 1.70 -1.26 -4.93 118.95 120.52 2bkd s ARG 70 Ca 0.32 1.92 0.00 0.00 -0.47 0.00 0.00 55.73 57.50 2bkd s ARG 70 Cb -0.10 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 2bkd s ARG 70 CO 0.25 -0.36 0.00 0.00 -1.08 0.00 0.00 175.30 174.11 2bkd n ALA 71 N 0.10 0.00 -2.49 7.88 0.00 -1.26 0.22 120.51 124.96 2bkd n ALA 71 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 2bkd n ALA 71 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 2bkd n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bkd n ASN 72 N -0.73 4.67 0.00 0.00 5.03 -1.26 -5.03 115.26 117.94 2bkd n ASN 72 Ca 0.00 -3.71 0.00 0.00 0.87 0.00 0.00 54.58 51.74 2bkd n ASN 72 Cb 0.00 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 2bkd n ASN 72 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bkd n GLU 73 N -0.47 0.00 0.00 3.52 1.02 0.13 -4.76 120.64 120.09 2bkd n GLU 73 Ca 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2bkd n GLU 73 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2bkd n LYS 74 N 0.00 0.00 -4.29 3.49 0.00 -1.26 -4.70 118.16 111.40 2bkd n LYS 74 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.13 2bkd n LYS 74 Cb 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 35.03 34.83 2bkd n LYS 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2bkd s GLU 75 N 0.00 1.17 -1.59 1.64 2.02 -1.26 -5.04 118.70 115.64 2bkd s GLU 75 Ca 0.00 -1.41 -0.11 0.00 0.02 0.00 0.00 54.97 53.47 2bkd s GLU 75 Cb 0.00 -1.01 -0.06 0.00 0.10 0.00 0.00 34.13 33.16 2bkd s GLU 75 CO 0.00 0.18 2.79 -0.35 0.02 0.00 0.00 175.26 177.90 2bkd n PRO 76 N 0.09 3.51 -3.26 0.39 -0.04 -1.26 -4.93 135.00 129.50 2bkd n PRO 76 Ca -0.12 -2.30 -0.19 0.00 -0.04 0.00 0.00 63.50 60.85 2bkd n PRO 76 Cb 0.59 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2bkd n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd s TRP 79 N -0.47 1.94 0.00 0.00 -0.11 -1.26 -4.75 118.94 114.29 2bkd s TRP 79 Ca 0.42 -0.41 0.00 0.00 1.22 0.00 0.00 56.10 57.33 2bkd s TRP 79 Cb -0.23 -1.05 0.00 0.00 -1.50 0.00 0.00 33.47 30.69 2bkd s TRP 79 CO 0.28 0.26 0.00 0.91 -4.62 0.00 0.00 176.95 173.78 2bkd n TRP 80 N 0.95 0.00 -3.82 5.86 7.02 -0.61 -4.83 117.44 122.00 2bkd n TRP 80 Ca -0.18 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 55.93 2bkd n TRP 80 Cb 0.54 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.36 2bkd n TRP 80 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 2bkd s LEU 81 N 0.00 4.31 0.07 -0.99 0.05 -1.26 -0.60 118.68 120.25 2bkd s LEU 81 Ca 0.00 0.37 -0.07 0.00 0.05 0.00 0.00 54.13 54.48 2bkd s LEU 81 Cb 0.00 -2.08 -0.01 0.00 -2.05 0.00 0.00 46.19 42.06 2bkd s LEU 81 CO 0.00 0.32 0.14 0.00 -0.55 0.00 0.00 176.35 176.26 2bkd s ALA 82 N -0.47 -0.11 -0.08 1.48 0.00 -0.44 -2.39 121.76 119.74 2bkd s ALA 82 Ca 0.12 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2bkd s ALA 82 Cb -0.12 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2bkd s ALA 82 CO 0.02 -0.43 -0.03 0.15 0.00 0.00 0.00 175.76 175.46 2bkd s LYS 83 N -3.43 2.92 -0.17 0.00 3.01 -0.02 -0.28 119.74 121.77 2bkd s LYS 83 Ca 0.02 -0.48 -0.08 0.00 -1.01 0.00 0.00 55.97 54.42 2bkd s LYS 83 Cb 0.03 -2.71 -0.04 0.00 -1.01 0.00 0.00 37.83 34.10 2bkd s LYS 83 CO -0.09 0.65 0.10 0.08 0.51 0.00 0.00 175.35 176.60 2bkd s VAL 84 N -0.75 5.11 -0.22 3.17 1.01 -1.15 -0.75 120.40 126.82 2bkd s VAL 84 Ca 0.12 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 2bkd s VAL 84 Cb -0.11 -3.29 -0.18 0.00 0.00 0.00 0.00 36.38 32.80 2bkd s VAL 84 CO 0.02 0.50 0.05 -1.14 0.00 0.00 0.00 175.10 174.52 2bkd n ARG 85 N 3.10 0.61 -3.82 2.72 0.63 -0.67 -4.68 116.66 114.54 2bkd n ARG 85 Ca -0.17 0.41 -0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2bkd n ARG 85 Cb 0.53 -1.65 -0.09 0.00 0.45 0.00 0.00 32.46 31.70 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bkd s MET 86 N -2.45 0.63 -0.13 -0.14 0.23 -1.25 -4.90 119.30 111.30 2bkd s MET 86 Ca -0.31 -0.43 0.02 0.00 -1.03 0.00 0.00 55.69 53.94 2bkd s MET 86 Cb 0.09 0.27 -0.00 0.00 -1.53 0.00 0.00 34.83 33.66 2bkd s MET 86 CO 0.59 -0.18 -0.20 0.42 -2.03 0.00 0.00 175.02 173.63 2bkd s ILE 87 N -1.86 2.36 -0.61 3.16 1.09 -1.26 -1.64 121.20 122.43 2bkd s ILE 87 Ca -0.10 -0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 58.54 2bkd s ILE 87 Cb -0.04 -1.95 0.16 0.00 -1.06 0.00 0.00 42.46 39.56 2bkd s ILE 87 CO 0.00 0.54 0.41 -0.54 -0.10 0.00 0.00 174.94 175.25 2bkd s LYS 88 N 0.55 2.44 1.21 2.79 1.02 0.75 -4.98 119.74 123.52 2bkd s LYS 88 Ca -0.12 -2.62 0.00 0.00 0.02 0.00 0.00 55.97 53.25 2bkd s LYS 88 Cb -0.17 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2bkd s LYS 88 CO 0.04 -1.16 0.00 0.41 -0.92 0.00 0.00 175.35 173.72 2bkd n GLY 89 N 3.28 1.44 0.00 -3.33 0.00 -1.26 -1.23 105.19 104.09 2bkd n GLY 89 Ca 0.08 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 1.95 -3.70 1.61 4.71 -1.26 -5.03 120.64 118.92 2bkd n GLU 90 Ca 0.00 -0.05 -0.36 0.00 -0.01 0.00 0.00 57.16 56.74 2bkd n GLU 90 Cb 0.00 -1.09 -0.07 0.00 -1.01 0.00 0.00 31.44 29.28 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2bkd s PHE 91 N -2.29 3.54 -0.04 -0.32 0.08 -0.37 -0.92 117.98 117.66 2bkd s PHE 91 Ca -0.00 0.56 0.02 0.00 0.12 0.00 0.00 56.93 57.63 2bkd s PHE 91 Cb 0.06 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 2bkd s PHE 91 CO 0.37 0.49 -0.09 0.71 -0.10 0.00 0.00 175.22 176.61 2bkd s TYR 92 N -0.32 1.06 -0.28 0.36 1.51 -0.47 -0.18 117.35 119.03 2bkd s TYR 92 Ca 0.15 -0.32 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 2bkd s TYR 92 Cb -0.13 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 2bkd s TYR 92 CO 0.04 -0.17 0.32 0.08 -1.11 0.00 0.00 175.55 174.71 2bkd s VAL 93 N 0.51 5.21 -0.06 0.71 1.01 -0.65 -1.45 120.40 125.67 2bkd s VAL 93 Ca -0.09 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.32 2bkd s VAL 93 Cb -0.12 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2bkd s VAL 93 CO 0.01 0.15 -0.20 -0.63 0.00 0.00 0.00 175.10 174.43 2bkd s ILE 94 N 1.98 1.71 -0.21 2.22 1.09 -0.16 -1.67 121.20 126.17 2bkd s ILE 94 Ca 0.12 -0.85 -0.09 0.00 -1.10 0.00 0.00 60.65 58.73 2bkd s ILE 94 Cb -0.16 -1.47 -0.05 0.00 -1.06 0.00 0.00 42.46 39.72 2bkd s ILE 94 CO 0.10 0.48 0.11 -1.61 -0.10 0.00 0.00 174.94 173.93 2bkd s GLU 95 N 0.13 4.04 0.02 2.79 2.02 0.07 -2.26 118.70 125.51 2bkd s GLU 95 Ca -0.09 -0.30 -0.06 0.00 0.02 0.00 0.00 54.97 54.55 2bkd s GLU 95 Cb -0.14 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.67 2bkd s GLU 95 CO 0.04 0.19 0.28 0.71 0.02 0.00 0.00 175.26 176.50 2bkd s TYR 96 N 0.64 3.57 0.14 1.61 2.02 -1.26 -0.84 117.35 123.23 2bkd s TYR 96 Ca 0.06 0.56 0.11 0.00 -0.37 0.00 0.00 57.07 57.43 2bkd s TYR 96 Cb -0.12 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2bkd s TYR 96 CO 0.01 0.60 -0.26 0.00 -1.57 0.00 0.00 175.55 174.33 2bkd s ALA 97 N -1.34 2.35 0.00 3.71 0.00 -1.00 -4.71 121.76 120.77 2bkd s ALA 97 Ca 0.29 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2bkd s ALA 97 Cb -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2bkd s ALA 97 CO 0.17 0.51 0.00 0.00 0.00 0.00 0.00 175.76 176.44 2bkd n ALA 98 N 0.83 0.00 0.00 0.00 0.00 -1.26 -4.59 120.51 115.49 2bkd n ALA 98 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2bkd n ALA 98 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2bkd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkd s ASP 100 N 0.00 3.44 -0.55 0.00 1.01 -1.26 -5.05 116.67 114.26 2bkd s ASP 100 Ca 0.00 -0.99 -0.02 0.00 0.71 0.00 0.00 52.55 52.24 2bkd s ASP 100 Cb 0.00 -0.27 0.23 0.00 1.01 0.00 0.00 42.92 43.89 2bkd s ASP 100 CO 0.00 0.03 2.31 0.00 0.21 0.00 0.00 175.17 177.73 2bkd n ALA 101 N -0.41 6.17 -0.05 5.23 0.00 -1.26 -4.62 120.51 125.57 2bkd n ALA 101 Ca -0.07 -3.08 -0.01 0.00 0.00 0.00 0.00 53.44 50.28 2bkd n ALA 101 Cb 0.59 -1.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 2bkd n ALA 101 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2bkd h THR 102 N 1.61 0.03 -1.90 0.00 2.02 -1.95 -3.50 112.91 109.21 2bkd h THR 102 Ca 0.45 -1.02 0.07 0.00 0.77 0.00 0.00 66.41 66.68 2bkd h THR 102 Cb 0.61 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2bkd h THR 102 CO 1.11 0.01 -0.10 -1.22 0.37 0.00 0.00 175.52 175.69 2bkd n TYR 103 N -4.75 -2.18 -4.28 3.16 4.01 -1.26 -4.94 117.16 106.92 2bkd n TYR 103 Ca -0.02 0.34 -0.32 0.00 -0.16 0.00 0.00 57.90 57.75 2bkd n TYR 103 Cb 0.06 -0.44 -0.08 0.00 -0.31 0.00 0.00 39.34 38.57 2bkd n TYR 103 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2bkd n ASN 104 N -2.65 0.44 -4.85 7.72 5.15 -1.26 -4.91 115.26 114.91 2bkd n ASN 104 Ca 0.00 -1.26 -0.37 0.00 -0.60 0.00 0.00 54.58 52.35 2bkd n ASN 104 Cb 0.13 -1.69 -0.06 0.00 -0.53 0.00 0.00 39.78 37.62 2bkd n ASN 104 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bkd s GLU 105 N -7.34 3.67 -0.26 1.20 0.41 -0.96 -4.96 118.70 110.47 2bkd s GLU 105 Ca 0.04 -0.01 -0.11 0.00 -0.41 0.00 0.00 54.97 54.49 2bkd s GLU 105 Cb -0.02 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 29.04 2bkd s GLU 105 CO 0.99 0.68 0.19 0.96 -0.49 0.00 0.00 175.26 177.58 2bkd s ILE 106 N -0.80 5.33 -0.00 -1.63 -4.36 -1.26 -0.99 121.20 117.48 2bkd s ILE 106 Ca 0.16 0.20 0.03 0.00 -0.26 0.00 0.00 60.65 60.79 2bkd s ILE 106 Cb -0.13 -3.53 -0.01 0.00 1.25 0.00 0.00 42.46 40.05 2bkd s ILE 106 CO 0.05 0.30 -0.09 -0.69 0.24 0.00 0.00 174.94 174.75 2bkd s VAL 107 N 1.39 0.69 0.03 8.37 1.01 -0.53 -4.99 120.40 126.37 2bkd s VAL 107 Ca 0.08 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2bkd s VAL 107 Cb -0.15 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 2bkd s VAL 107 CO 0.07 0.17 0.49 -0.89 0.00 0.00 0.00 175.10 174.94 2bkd s THR 108 N -0.27 4.90 -0.26 3.92 2.01 -1.26 -1.36 115.64 123.32 2bkd s THR 108 Ca 0.03 1.03 -0.38 0.00 0.31 0.00 0.00 61.69 62.67 2bkd s THR 108 Cb -0.04 -3.81 -0.14 0.00 0.01 0.00 0.00 72.50 68.52 2bkd s THR 108 CO -0.00 0.56 1.84 0.00 -0.69 0.00 0.00 174.62 176.33 2bkd n ILE 109 N 1.86 0.34 0.00 1.82 0.13 -0.10 -4.52 119.36 118.90 2bkd n ILE 109 Ca -0.12 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.44 2bkd n ILE 109 Cb 0.52 -1.40 0.00 0.00 -0.84 0.00 0.00 39.64 37.92 2bkd n ILE 109 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2bkd n GLU 110 N 6.07 0.00 -0.91 9.51 2.13 -1.26 -4.97 120.64 131.21 2bkd n GLU 110 Ca 0.28 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.15 2bkd n GLU 110 Cb 0.17 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.95 2bkd n GLU 110 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2bkd n ARG 111 N -1.93 0.52 -4.06 5.31 1.85 -1.26 -5.03 116.66 112.05 2bkd n ARG 111 Ca 0.00 -2.17 -0.34 0.00 -1.00 0.00 0.00 57.85 54.34 2bkd n ARG 111 Cb 0.00 -0.66 -0.07 0.00 -1.05 0.00 0.00 32.46 30.68 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2bkd s LEU 112 N -1.10 4.03 0.08 2.89 1.43 -1.26 -1.66 118.68 123.09 2bkd s LEU 112 Ca 0.28 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 2bkd s LEU 112 Cb 0.29 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2bkd s LEU 112 CO -0.09 0.31 0.01 -0.60 0.23 0.00 0.00 176.35 176.21 2bkd s ARG 113 N -1.50 0.73 0.85 1.70 6.06 0.21 -4.99 118.95 122.01 2bkd s ARG 113 Ca 0.21 -1.30 -0.12 0.00 -2.50 0.00 0.00 55.73 52.01 2bkd s ARG 113 Cb -0.12 0.22 0.13 0.00 0.06 0.00 0.00 34.95 35.25 2bkd s ARG 113 CO 0.11 -0.17 1.21 0.45 -2.50 0.00 0.00 175.30 174.40 2bkd s SER 114 N -2.97 3.95 0.49 -2.12 0.15 -1.26 -1.13 113.70 110.81 2bkd s SER 114 Ca 0.13 0.46 -0.21 0.00 0.70 0.00 0.00 55.95 57.03 2bkd s SER 114 Cb 0.08 -0.77 -0.07 0.00 -1.71 0.00 0.00 66.02 63.54 2bkd s SER 114 CO -0.06 -2.21 1.10 -0.69 1.20 0.00 0.00 173.24 172.58 2bkd s VAL 115 N -3.64 3.42 -0.84 4.45 1.01 -1.26 -4.38 120.40 119.16 2bkd s VAL 115 Ca 0.67 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.61 2bkd s VAL 115 Cb -0.08 -3.43 0.21 0.00 0.00 0.00 0.00 36.38 33.09 2bkd s VAL 115 CO 0.50 -0.12 0.73 -0.46 0.00 0.00 0.00 175.10 175.75 2bkd n ASN 116 N -0.83 3.95 -3.26 3.32 6.94 -1.26 -4.92 115.26 119.20 2bkd n ASN 116 Ca 0.09 -3.19 -0.36 0.00 -0.02 0.00 0.00 54.58 51.10 2bkd n ASN 116 Cb 0.51 -0.95 -0.03 0.00 -2.36 0.00 0.00 39.78 36.94 2bkd n ASN 116 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2bkd n PRO 117 N 2.05 3.40 -2.78 -0.53 -0.04 -1.26 -4.96 135.00 130.88 2bkd n PRO 117 Ca 0.22 -2.05 -0.32 0.00 -0.04 0.00 0.00 63.50 61.32 2bkd n PRO 117 Cb 0.37 -2.72 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 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 2.37 6.65 0.19 3.54 4.22 -1.26 -5.09 114.94 125.57 2bkd s ASN 118 Ca 0.65 1.35 0.00 0.00 -2.14 0.00 0.00 52.86 52.72 2bkd s ASN 118 Cb 0.17 -2.41 -0.04 0.00 1.28 0.00 0.00 41.25 40.25 2bkd s ASN 118 CO -0.05 -0.41 0.37 -1.59 -2.04 0.00 0.00 177.10 173.38 2bkd s LYS 119 N -3.65 3.49 0.89 3.55 -2.85 -1.26 -4.96 119.74 114.96 2bkd s LYS 119 Ca 0.55 -0.42 -0.10 0.00 -1.00 0.00 0.00 55.97 55.00 2bkd s LYS 119 Cb -0.10 -2.87 0.19 0.00 -2.06 0.00 0.00 37.83 32.99 2bkd s LYS 119 CO 0.26 0.42 1.22 -1.25 0.10 0.00 0.00 175.35 176.11 2bkd s PRO 120 N -3.36 0.83 -0.14 1.78 0.04 -1.26 -1.64 135.00 131.25 2bkd s PRO 120 Ca 0.37 -0.80 -0.23 0.00 0.04 0.00 0.00 61.00 60.38 2bkd s PRO 120 Cb -0.11 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2bkd s PRO 120 CO 0.29 -2.18 0.72 0.00 0.04 0.00 0.00 177.00 175.88 2bkd s ALA 121 N -3.65 3.46 0.00 8.56 0.00 -1.06 -4.69 121.76 124.38 2bkd s ALA 121 Ca 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2bkd s ALA 121 Cb -0.03 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2bkd s ALA 121 CO 0.50 -0.42 0.00 -2.37 0.00 0.00 0.00 175.76 173.47 2bkd n THR 122 N 4.38 0.00 0.00 0.00 5.66 -1.26 -4.84 114.28 118.21 2bkd n THR 122 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2bkd n THR 122 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 2bkd n THR 122 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2bkd n LYS 123 N -0.30 0.00 0.10 1.09 3.00 -1.26 -3.10 118.16 117.68 2bkd n LYS 123 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 2bkd n LYS 123 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 35.03 35.43 2bkd n LYS 123 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2bkd h ASP 124 N 0.00 0.27 0.31 3.14 3.58 -1.98 -0.83 116.42 120.90 2bkd h ASP 124 Ca 0.00 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 2bkd h ASP 124 Cb 0.00 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2bkd h ASP 124 CO 0.00 0.37 -0.20 0.71 -2.88 0.00 0.00 179.24 177.23 2bkd h THR 125 N 0.28 0.94 -0.78 2.25 1.35 -1.88 -3.45 112.91 111.62 2bkd h THR 125 Ca 0.06 -0.76 -0.51 0.00 -0.55 0.00 0.00 66.41 64.66 2bkd h THR 125 Cb 0.29 1.43 -0.23 0.00 -1.73 0.00 0.00 68.15 67.91 2bkd h THR 125 CO 0.01 0.20 0.66 0.49 -0.25 0.00 0.00 175.52 176.63 2bkd n PHE 126 N -3.99 2.50 -1.04 4.73 3.72 -0.32 -5.02 117.46 118.03 2bkd n PHE 126 Ca -0.02 -2.41 0.00 0.00 -0.05 0.00 0.00 57.45 54.97 2bkd n PHE 126 Cb 0.29 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 2bkd n PHE 126 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2bkd n LYS 128 N -0.45 0.00 -3.72 -1.08 3.00 -1.26 -5.08 118.16 109.57 2bkd n LYS 128 Ca 0.49 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.43 2bkd n LYS 128 Cb 0.76 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.72 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2bkd s ILE 129 N -0.73 5.38 -0.13 3.15 1.01 -1.26 -5.07 121.20 123.56 2bkd s ILE 129 Ca 0.00 0.35 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 2bkd s ILE 129 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 2bkd s ILE 129 CO 0.00 0.51 0.81 -0.54 0.00 0.00 0.00 174.94 175.72 2bkd s LYS 130 N -0.32 4.36 0.22 2.79 3.01 -1.26 -5.06 119.74 123.49 2bkd s LYS 130 Ca 0.14 1.02 -0.27 0.00 -1.01 0.00 0.00 55.97 55.86 2bkd s LYS 130 Cb -0.12 -3.53 -0.09 0.00 -1.01 0.00 0.00 37.83 33.08 2bkd s LYS 130 CO 0.03 -0.20 0.86 -1.17 0.51 0.00 0.00 175.35 175.38 2bkd s LEU 131 N 1.68 4.55 0.00 3.17 1.98 -1.26 -4.98 118.68 123.83 2bkd s LEU 131 Ca 0.39 1.76 0.09 0.00 -2.89 0.00 0.00 54.13 53.49 2bkd s LEU 131 Cb -0.17 -3.55 0.44 0.00 0.66 0.00 0.00 46.19 43.57 2bkd s LEU 131 CO 0.15 0.13 1.17 0.47 -1.89 0.00 0.00 176.35 176.38 2bkd n ASP 132 N 1.32 0.00 -4.73 3.68 9.92 -1.26 -4.66 116.55 120.82 2bkd n ASP 132 Ca -0.03 0.18 -0.41 0.00 -0.53 0.00 0.00 54.79 54.00 2bkd n ASP 132 Cb 0.48 -0.30 -0.04 0.00 -0.64 0.00 0.00 41.12 40.63 2bkd n ASP 132 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2bkd s VAL 133 N -2.60 4.71 -2.00 2.53 -7.23 -1.26 -5.38 120.40 109.18 2bkd s VAL 133 Ca 0.08 1.90 0.14 0.00 -1.81 0.00 0.00 61.98 62.29 2bkd s VAL 133 Cb 0.06 -4.25 0.40 0.00 0.56 0.00 0.00 36.38 33.15 2bkd s VAL 133 CO 0.14 0.28 1.26 -2.65 -0.31 0.00 0.00 175.10 173.82