#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 3.58 -0.89 0.03 1.03 -1.26 -4.99 118.70 116.20 2bkd s GLU 2 Ca 0.00 1.44 -0.15 0.00 0.03 0.00 0.00 54.97 56.29 2bkd s GLU 2 Cb 0.00 -2.05 0.20 0.00 -0.80 0.00 0.00 34.13 31.48 2bkd s GLU 2 CO 0.00 -0.63 0.90 -1.21 -1.33 0.00 0.00 175.26 172.99 2bkd s GLU 3 N -3.34 3.68 -0.20 -4.83 2.02 -1.26 -4.89 118.70 109.88 2bkd s GLU 3 Ca 0.69 -2.39 -0.08 0.00 0.02 0.00 0.00 54.97 53.21 2bkd s GLU 3 Cb -0.19 -4.57 -0.04 0.00 0.10 0.00 0.00 34.13 29.43 2bkd s GLU 3 CO 0.24 -1.41 0.08 -0.51 0.02 0.00 0.00 175.26 173.68 2bkd s LEU 4 N 0.62 3.80 -0.26 1.80 2.01 -1.26 -5.04 118.68 120.35 2bkd s LEU 4 Ca 0.23 0.04 -0.19 0.00 0.01 0.00 0.00 54.13 54.22 2bkd s LEU 4 Cb -0.09 -1.98 -0.02 0.00 0.01 0.00 0.00 46.19 44.11 2bkd s LEU 4 CO -0.09 0.12 0.56 -0.69 1.01 0.00 0.00 176.35 177.27 2bkd s VAL 5 N 0.67 5.03 0.44 -1.59 1.01 -1.26 -1.12 120.40 123.58 2bkd s VAL 5 Ca 0.04 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.06 2bkd s VAL 5 Cb -0.13 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2bkd s VAL 5 CO 0.02 0.05 0.18 0.54 0.00 0.00 0.00 175.10 175.89 2bkd s VAL 6 N 2.40 2.11 0.01 2.92 0.11 -0.16 -4.61 120.40 123.17 2bkd s VAL 6 Ca 0.23 -1.72 0.07 0.00 -2.93 0.00 0.00 61.98 57.63 2bkd s VAL 6 Cb -0.16 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 31.84 2bkd s VAL 6 CO 0.09 0.00 -0.20 -1.83 -3.33 0.00 0.00 175.10 169.83 2bkd s GLU 7 N -3.93 2.15 0.14 1.54 -1.05 -0.81 -0.54 118.70 116.20 2bkd s GLU 7 Ca 0.37 -0.92 0.05 0.00 -0.15 0.00 0.00 54.97 54.32 2bkd s GLU 7 Cb 0.03 -2.18 -0.04 0.00 -0.44 0.00 0.00 34.13 31.50 2bkd s GLU 7 CO 0.20 0.56 -0.11 0.14 0.95 0.00 0.00 175.26 177.00 2bkd s VAL 8 N -0.81 1.22 0.23 1.83 -7.23 -0.15 -0.52 120.40 114.98 2bkd s VAL 8 Ca 0.13 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.41 2bkd s VAL 8 Cb -0.10 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 2bkd s VAL 8 CO 0.03 -0.64 -0.08 0.00 -0.31 0.00 0.00 175.10 174.09 2bkd s ARG 9 N -3.38 1.36 0.00 4.82 3.03 -0.97 -0.80 118.95 123.02 2bkd s ARG 9 Ca 0.14 -1.65 0.00 0.00 2.03 0.00 0.00 55.73 56.25 2bkd s ARG 9 Cb -0.00 -0.97 0.00 0.00 -1.03 0.00 0.00 34.95 32.95 2bkd s ARG 9 CO 0.02 0.07 0.00 0.41 -1.13 0.00 0.00 175.30 174.67 2bkd n GLY 10 N -0.43 -1.40 0.10 3.88 0.00 -1.26 -4.89 105.19 101.19 2bkd n GLY 10 Ca -0.07 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 2bkd n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bkd h SER 11 N 0.00 0.23 -3.46 1.61 0.87 -1.98 -3.44 113.55 107.38 2bkd h SER 11 Ca 0.00 -0.34 -0.54 0.00 -1.23 0.00 0.00 61.79 59.68 2bkd h SER 11 Cb 0.00 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2bkd h SER 11 CO 0.00 1.29 0.21 0.21 -0.53 0.00 0.00 176.83 178.01 2bkd s ASN 12 N -6.72 7.28 -0.11 6.23 2.47 -1.26 -4.94 114.94 117.88 2bkd s ASN 12 Ca -0.07 1.53 -0.00 0.00 0.42 0.00 0.00 52.86 54.74 2bkd s ASN 12 Cb 0.08 -2.50 0.09 0.00 -1.45 0.00 0.00 41.25 37.46 2bkd s ASN 12 CO 0.84 -0.02 1.88 0.61 -3.72 0.00 0.00 177.10 176.69 2bkd n GLY 13 N 2.39 3.01 0.00 1.21 0.00 -1.26 -4.52 105.19 106.02 2bkd n GLY 13 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.94 0.00 -2.47 4.61 0.00 -1.26 -2.70 120.51 119.63 2bkd n ALA 14 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 2bkd n ALA 14 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 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 3.65 1.88 -0.05 0.00 -0.71 -1.26 -4.53 117.98 116.96 2bkd s PHE 15 Ca 0.00 -0.44 0.04 0.00 -1.04 0.00 0.00 56.93 55.49 2bkd s PHE 15 Cb 0.00 -0.96 -0.00 0.00 -1.21 0.00 0.00 43.02 40.85 2bkd s PHE 15 CO 0.00 0.32 -0.19 1.52 -1.34 0.00 0.00 175.22 175.54 2bkd s TYR 16 N -1.79 1.88 -0.04 3.49 1.13 0.02 -4.67 117.35 117.38 2bkd s TYR 16 Ca 0.14 -0.58 -0.30 0.00 -1.41 0.00 0.00 57.07 54.93 2bkd s TYR 16 Cb -0.07 -1.27 -0.03 0.00 -1.10 0.00 0.00 41.96 39.50 2bkd s TYR 16 CO 0.06 -0.20 1.08 0.15 -2.51 0.00 0.00 175.55 174.13 2bkd s LYS 17 N 0.08 4.44 -0.03 -3.49 1.02 -1.26 -0.97 119.74 119.53 2bkd s LYS 17 Ca -0.06 1.53 -0.07 0.00 0.02 0.00 0.00 55.97 57.39 2bkd s LYS 17 Cb -0.13 -3.49 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2bkd s LYS 17 CO 0.03 -0.27 0.16 0.00 -0.92 0.00 0.00 175.35 174.35 2bkd s ALA 18 N 1.66 -0.39 -0.21 5.17 0.00 0.30 -4.88 121.76 123.41 2bkd s ALA 18 Ca 0.53 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 2bkd s ALA 18 Cb -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2bkd s ALA 18 CO 0.23 -0.15 -0.08 -0.06 0.00 0.00 0.00 175.76 175.70 2bkd s PHE 19 N -0.62 2.92 0.07 0.00 0.08 -0.24 -0.99 117.98 119.19 2bkd s PHE 19 Ca -0.07 -1.15 -0.31 0.00 0.12 0.00 0.00 56.93 55.52 2bkd s PHE 19 Cb -0.04 -2.06 -0.10 0.00 -0.57 0.00 0.00 43.02 40.25 2bkd s PHE 19 CO 0.01 -0.62 1.88 0.28 -0.10 0.00 0.00 175.22 176.67 2bkd n VAL 20 N 4.75 0.52 -0.04 -0.44 0.31 -0.27 -0.69 118.33 122.47 2bkd n VAL 20 Ca -0.19 -0.09 -0.21 0.00 -0.01 0.00 0.00 64.34 63.83 2bkd n VAL 20 Cb 0.50 -2.13 -0.13 0.00 -0.91 0.00 0.00 33.84 31.18 2bkd n VAL 20 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2bkd n LYS 21 N 6.32 0.71 -3.71 5.55 5.02 0.39 -4.45 118.16 127.99 2bkd n LYS 21 Ca 0.19 0.31 -0.14 0.00 -2.02 0.00 0.00 58.31 56.66 2bkd n LYS 21 Cb 0.37 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bkd s ASP 22 N -6.97 -0.45 -0.58 4.39 2.15 -0.31 -4.58 116.67 110.32 2bkd s ASP 22 Ca -0.26 0.78 0.06 0.00 0.43 0.00 0.00 52.55 53.56 2bkd s ASP 22 Cb 0.07 0.81 0.29 0.00 -0.30 0.00 0.00 42.92 43.80 2bkd s ASP 22 CO 0.71 -0.24 0.82 1.33 -0.17 0.00 0.00 175.17 177.61 2bkd n VAL 23 N 2.43 2.31 0.00 1.11 0.24 -1.26 -1.18 118.33 121.98 2bkd n VAL 23 Ca -0.15 -5.26 0.00 0.00 -2.04 0.00 0.00 64.34 56.89 2bkd n VAL 23 Cb 0.57 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.26 2bkd n VAL 23 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2bkd n GLU 25 N 0.38 0.00 0.00 7.34 4.07 -1.26 -5.03 120.64 126.15 2bkd n GLU 25 Ca 0.30 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 2bkd n GLU 25 Cb 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.81 2bkd n GLU 25 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2bkd n ASP 26 N 0.79 0.00 0.00 4.31 2.03 -1.26 -5.17 116.55 117.25 2bkd n ASP 26 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2bkd n ASP 26 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2bkd n ASP 26 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2bkd n SER 27 N -0.47 0.00 -4.24 1.67 3.41 -1.26 -5.02 113.62 107.70 2bkd n SER 27 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2bkd n SER 27 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 2bkd n SER 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2bkd s ILE 28 N 3.06 2.04 -0.11 -1.33 2.07 -0.63 -4.58 121.20 121.72 2bkd s ILE 28 Ca 0.00 -1.04 -0.02 0.00 -1.41 0.00 0.00 60.65 58.19 2bkd s ILE 28 Cb 0.00 -1.74 -0.03 0.00 0.13 0.00 0.00 42.46 40.82 2bkd s ILE 28 CO 0.00 0.56 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.65 2bkd s THR 29 N 0.07 3.79 0.11 4.00 2.01 -0.33 -1.59 115.64 123.71 2bkd s THR 29 Ca -0.10 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2bkd s THR 29 Cb -0.16 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2bkd s THR 29 CO 0.06 0.54 0.03 0.68 -0.69 0.00 0.00 174.62 175.25 2bkd s VAL 30 N -0.18 0.14 0.00 3.82 -7.23 -0.31 -0.46 120.40 116.18 2bkd s VAL 30 Ca 0.03 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 2bkd s VAL 30 Cb -0.13 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.91 2bkd s VAL 30 CO 0.03 -0.60 0.17 0.00 -0.31 0.00 0.00 175.10 174.39 2bkd s ALA 31 N -4.01 -0.42 0.08 1.32 0.00 0.14 -1.69 121.76 117.18 2bkd s ALA 31 Ca 0.20 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.18 2bkd s ALA 31 Cb 0.08 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2bkd s ALA 31 CO -0.01 -0.22 -0.14 -0.06 0.00 0.00 0.00 175.76 175.32 2bkd s PHE 32 N -1.41 2.65 0.27 0.00 0.08 -1.26 -1.08 117.98 117.22 2bkd s PHE 32 Ca -0.14 -0.20 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 2bkd s PHE 32 Cb -0.07 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 40.85 2bkd s PHE 32 CO 0.02 0.37 1.49 -2.00 -0.10 0.00 0.00 175.22 175.00 2bkd s GLU 33 N -1.94 4.22 -0.06 0.44 2.56 -1.26 -4.75 118.70 117.90 2bkd s GLU 33 Ca 0.18 2.39 -0.30 0.00 0.00 0.00 0.00 54.97 57.25 2bkd s GLU 33 Cb -0.11 -3.08 -0.06 0.00 2.00 0.00 0.00 34.13 32.88 2bkd s GLU 33 CO 0.10 -0.48 1.80 -0.80 -0.56 0.00 0.00 175.26 175.32 2bkd s ASN 34 N 0.38 6.46 0.00 -1.70 0.02 -1.26 -4.35 114.94 114.49 2bkd s ASN 34 Ca 0.60 2.27 0.00 0.00 -1.02 0.00 0.00 52.86 54.71 2bkd s ASN 34 Cb -0.44 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.30 2bkd s ASN 34 CO 0.45 -1.10 0.00 -3.20 0.02 0.00 0.00 177.10 173.27 2bkd n ASN 35 N 7.82 0.00 0.04 -1.22 2.85 -1.26 -5.03 115.26 118.46 2bkd n ASN 35 Ca 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 2bkd n ASN 35 Cb 0.43 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.47 2bkd n ASN 35 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 2bkd n TRP 36 N -1.02 -0.62 -4.58 1.20 4.27 -1.26 -5.14 117.44 110.29 2bkd n TRP 36 Ca 0.00 0.11 -0.31 0.00 -3.89 0.00 0.00 57.50 53.41 2bkd n TRP 36 Cb 0.00 0.45 -0.12 0.00 -1.36 0.00 0.00 31.31 30.29 2bkd n TRP 36 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2bkd s GLN 37 N -2.00 2.25 -0.01 -2.67 2.00 -1.26 -5.07 119.66 112.89 2bkd s GLN 37 Ca 0.00 -0.89 -0.02 0.00 -2.00 0.00 0.00 55.36 52.45 2bkd s GLN 37 Cb 0.00 -2.30 -0.01 0.00 0.80 0.00 0.00 33.01 31.50 2bkd s GLN 37 CO 0.00 0.56 0.29 -1.00 -0.50 0.00 0.00 175.29 174.64 2bkd h PRO 38 N 4.51 -0.07 -3.64 1.67 0.13 -1.99 -3.43 132.00 129.19 2bkd h PRO 38 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2bkd h PRO 38 Cb 1.16 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 2bkd h PRO 38 CO 0.50 -0.05 -0.17 0.16 -0.23 0.00 0.00 178.00 178.22 2bkd s ASP 39 N -3.21 -0.09 0.00 1.44 1.47 -1.26 -4.68 116.67 110.34 2bkd s ASP 39 Ca -0.01 -0.72 -0.07 0.00 1.18 0.00 0.00 52.55 52.93 2bkd s ASP 39 Cb 0.00 0.50 -0.00 0.00 -0.34 0.00 0.00 42.92 43.08 2bkd s ASP 39 CO 0.03 -0.98 0.12 -0.60 0.68 0.00 0.00 175.17 174.43 2bkd s ARG 40 N -3.93 0.46 -0.12 2.11 6.06 -0.68 -5.03 118.95 117.82 2bkd s ARG 40 Ca 0.14 -0.40 0.03 0.00 -2.50 0.00 0.00 55.73 53.00 2bkd s ARG 40 Cb 0.01 0.19 0.01 0.00 0.06 0.00 0.00 34.95 35.22 2bkd s ARG 40 CO -0.00 -0.11 -0.21 -0.65 -2.50 0.00 0.00 175.30 171.82 2bkd s GLN 41 N -1.36 2.88 0.06 5.12 -0.21 -1.26 -1.16 119.66 123.73 2bkd s GLN 41 Ca -0.14 -0.81 0.09 0.00 0.02 0.00 0.00 55.36 54.52 2bkd s GLN 41 Cb -0.08 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 2bkd s GLN 41 CO 0.01 0.04 -0.25 0.96 -2.12 0.00 0.00 175.29 173.93 2bkd s ILE 42 N 0.69 2.04 0.95 1.08 -4.36 -0.62 -5.00 121.20 115.98 2bkd s ILE 42 Ca -0.11 -1.41 -0.13 0.00 -0.26 0.00 0.00 60.65 58.74 2bkd s ILE 42 Cb -0.16 -1.76 0.16 0.00 1.25 0.00 0.00 42.46 41.95 2bkd s ILE 42 CO 0.02 0.28 1.14 -2.16 0.24 0.00 0.00 174.94 174.45 2bkd s PRO 43 N -1.37 0.81 0.00 0.37 0.04 -1.26 -1.60 135.00 131.99 2bkd s PRO 43 Ca 0.11 0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.36 2bkd s PRO 43 Cb -0.10 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 2bkd s PRO 43 CO 0.03 -2.41 1.61 1.19 0.04 0.00 0.00 177.00 177.45 2bkd n PHE 44 N -3.90 0.00 0.00 0.56 3.72 -1.26 -3.28 117.46 113.30 2bkd n PHE 44 Ca 0.07 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 2bkd n PHE 44 Cb 0.59 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 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 2.54 0.00 -4.91 4.37 8.00 -1.26 -4.40 116.55 120.89 2bkd n ASP 46 Ca 0.14 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 2bkd n ASP 46 Cb 0.35 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.41 2bkd n ASP 46 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bkd s VAL 47 N 0.00 5.20 -0.11 2.53 0.11 -1.20 -2.29 120.40 124.64 2bkd s VAL 47 Ca 0.00 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2bkd s VAL 47 Cb 0.00 -3.66 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 2bkd s VAL 47 CO 0.00 -0.03 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.46 2bkd s ARG 48 N -2.88 2.26 -0.43 1.54 0.52 0.33 -4.47 118.95 115.82 2bkd s ARG 48 Ca 0.40 -0.58 -0.22 0.00 -0.52 0.00 0.00 55.73 54.81 2bkd s ARG 48 Cb -0.12 -1.91 0.02 0.00 0.52 0.00 0.00 34.95 33.46 2bkd s ARG 48 CO 0.27 -0.05 0.71 -0.06 0.02 0.00 0.00 175.30 176.18 2bkd s PHE 49 N 0.96 3.05 0.26 -0.53 0.40 -0.59 -1.92 117.98 119.61 2bkd s PHE 49 Ca -0.07 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 2bkd s PHE 49 Cb -0.15 -3.46 0.35 0.00 0.51 0.00 0.00 43.02 40.27 2bkd s PHE 49 CO -0.01 -0.88 1.69 -1.00 0.70 0.00 0.00 175.22 175.72 2bkd h PRO 50 N 8.84 0.53 -6.26 0.24 0.13 -1.90 -3.45 132.00 130.14 2bkd h PRO 50 Ca -0.25 -0.21 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 2bkd h PRO 50 Cb 1.09 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2bkd h PRO 50 CO 0.92 0.76 0.67 -1.25 -0.23 0.00 0.00 178.00 178.86 2bkd s PRO 51 N -4.47 4.36 -0.05 1.56 0.04 -1.26 -4.66 135.00 130.51 2bkd s PRO 51 Ca -0.07 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 2bkd s PRO 51 Cb 0.13 -3.57 -0.23 0.00 0.04 0.00 0.00 34.50 30.87 2bkd s PRO 51 CO 0.80 -0.43 1.05 -1.00 0.04 0.00 0.00 177.00 177.46 2bkd h PRO 52 N 7.37 0.12 0.00 0.56 0.13 -1.94 -3.48 132.00 134.76 2bkd h PRO 52 Ca -0.31 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2bkd h PRO 52 Cb 1.14 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2bkd h PRO 52 CO 0.89 0.83 0.00 1.55 -0.23 0.00 0.00 178.00 181.04 2bkd n VAL 53 N -4.60 0.00 -2.72 1.56 3.14 -1.26 -5.03 118.33 109.41 2bkd n VAL 53 Ca -0.09 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.27 2bkd n VAL 53 Cb 0.44 0.00 0.10 0.00 -1.06 0.00 0.00 33.84 33.32 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 0.00 1.93 1.46 7.55 0.00 -1.26 -5.14 105.19 109.73 2bkd n GLY 54 Ca 0.00 -0.50 0.19 0.00 0.00 0.00 0.00 46.02 45.70 2bkd n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bkd n TYR 55 N -1.17 -3.79 0.00 1.61 4.01 -1.26 -4.98 117.16 111.57 2bkd n TYR 55 Ca -0.09 2.00 0.00 0.00 -0.16 0.00 0.00 57.90 59.66 2bkd n TYR 55 Cb 0.85 -3.45 0.00 0.00 -0.31 0.00 0.00 39.34 36.43 2bkd n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2bkd n ASN 56 N -4.36 0.00 0.00 7.72 2.85 -1.26 -5.10 115.26 115.11 2bkd n ASN 56 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2bkd n ASN 56 Cb 0.69 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.71 2bkd n ASN 56 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2bkd n LYS 57 N -0.25 3.58 0.00 1.20 5.02 -1.26 -5.16 118.16 121.28 2bkd n LYS 57 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2bkd n LYS 57 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2bkd n LYS 57 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bkd n ASP 58 N 0.00 0.00 -4.79 4.39 2.03 -1.26 -4.99 116.55 111.93 2bkd n ASP 58 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 2bkd n ASP 58 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2bkd n ASP 58 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bkd s ILE 59 N 0.00 4.08 -0.11 5.18 2.07 -1.26 -4.96 121.20 126.19 2bkd s ILE 59 Ca 0.00 1.63 0.16 0.00 -1.41 0.00 0.00 60.65 61.04 2bkd s ILE 59 Cb 0.00 -3.86 0.25 0.00 0.13 0.00 0.00 42.46 38.98 2bkd s ILE 59 CO 0.00 0.05 1.13 0.59 -1.91 0.00 0.00 174.94 174.80 2bkd n ASN 60 N 0.24 2.19 -0.85 4.50 5.03 -1.26 -5.11 115.26 120.00 2bkd n ASN 60 Ca 0.03 -2.93 0.11 0.00 0.87 0.00 0.00 54.58 52.66 2bkd n ASN 60 Cb 0.50 -0.38 -0.04 0.00 -1.02 0.00 0.00 39.78 38.84 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bkd n GLU 61 N -1.28 -1.84 0.00 3.52 1.02 -1.26 -4.90 120.64 115.89 2bkd n GLU 61 Ca 0.14 1.38 0.00 0.00 -0.02 0.00 0.00 57.16 58.66 2bkd n GLU 61 Cb 0.61 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2bkd n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bkd n SER 62 N -3.56 0.00 -0.09 1.62 2.88 -1.26 -4.92 113.62 108.29 2bkd n SER 62 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2bkd n SER 62 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2bkd n SER 62 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2bkd n ASP 63 N 1.39 0.00 -4.42 -3.46 5.68 -1.26 -4.79 116.55 109.68 2bkd n ASP 63 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.00 2bkd n ASP 63 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2bkd s GLU 64 N 3.05 1.62 0.21 0.11 -1.05 -1.26 -2.60 118.70 118.77 2bkd s GLU 64 Ca 0.00 -1.24 0.00 0.00 -0.15 0.00 0.00 54.97 53.58 2bkd s GLU 64 Cb 0.00 -2.00 -0.04 0.00 -0.44 0.00 0.00 34.13 31.65 2bkd s GLU 64 CO 0.00 0.47 0.09 0.14 0.95 0.00 0.00 175.26 176.92 2bkd s VAL 65 N -1.04 0.28 -0.16 1.83 -7.23 0.83 -3.59 120.40 111.31 2bkd s VAL 65 Ca 0.15 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2bkd s VAL 65 Cb -0.10 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 2bkd s VAL 65 CO 0.07 -0.12 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.09 2bkd s GLU 66 N -4.07 3.65 -0.18 4.82 2.02 0.70 -1.54 118.70 124.10 2bkd s GLU 66 Ca 0.35 -0.53 -0.08 0.00 0.02 0.00 0.00 54.97 54.73 2bkd s GLU 66 Cb 0.07 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 2bkd s GLU 66 CO 0.10 0.20 0.09 0.14 0.02 0.00 0.00 175.26 175.80 2bkd s VAL 67 N 0.48 5.03 -0.05 2.63 -7.23 -0.34 -1.70 120.40 119.23 2bkd s VAL 67 Ca -0.03 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 2bkd s VAL 67 Cb -0.14 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 2bkd s VAL 67 CO 0.03 0.48 1.06 -0.47 -0.31 0.00 0.00 175.10 175.89 2bkd s TYR 68 N 0.14 3.47 0.13 2.82 5.04 -1.24 -1.54 117.35 126.18 2bkd s TYR 68 Ca 0.06 1.51 0.06 0.00 -2.44 0.00 0.00 57.07 56.26 2bkd s TYR 68 Cb -0.12 -3.25 -0.04 0.00 0.35 0.00 0.00 41.96 38.91 2bkd s TYR 68 CO -0.00 -0.52 -0.14 0.45 -1.34 0.00 0.00 175.55 174.00 2bkd s SER 69 N 1.15 2.08 -0.09 4.32 0.15 -0.71 -4.97 113.70 115.63 2bkd s SER 69 Ca 0.52 -0.85 -0.06 0.00 0.70 0.00 0.00 55.95 56.26 2bkd s SER 69 Cb -0.22 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 2bkd s SER 69 CO 0.23 -0.15 0.16 0.00 1.20 0.00 0.00 173.24 174.68 2bkd s ARG 70 N -2.84 3.46 0.00 5.44 3.03 -1.26 -2.19 118.95 124.59 2bkd s ARG 70 Ca 0.11 -0.16 -0.23 0.00 2.03 0.00 0.00 55.73 57.48 2bkd s ARG 70 Cb -0.04 -3.17 -0.18 0.00 -1.03 0.00 0.00 34.95 30.54 2bkd s ARG 70 CO 0.03 0.75 1.30 0.00 -1.13 0.00 0.00 175.30 176.25 2bkd h ALA 71 N 4.67 0.09 -3.00 7.88 0.00 -1.85 -3.45 119.26 123.60 2bkd h ALA 71 Ca -0.53 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2bkd h ALA 71 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2bkd h ALA 71 CO 0.61 -0.10 0.00 0.27 0.00 0.00 0.00 179.25 180.02 2bkd n ASN 72 N -4.73 0.00 0.12 0.00 0.23 -1.26 -4.99 115.26 104.63 2bkd n ASN 72 Ca -0.07 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.08 2bkd n ASN 72 Cb 0.30 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.02 2bkd n ASN 72 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2bkd h GLU 73 N 0.00 0.00 0.00 -3.83 4.11 -1.98 -3.46 114.58 109.41 2bkd h GLU 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bkd h GLU 73 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bkd h GLU 73 CO 0.00 0.05 0.00 1.17 0.07 0.00 0.00 179.01 180.30 2bkd n LYS 74 N -2.79 0.00 0.00 1.06 4.81 -1.26 -4.96 118.16 115.02 2bkd n LYS 74 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2bkd n LYS 74 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 2bkd n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2bkd n GLU 75 N -3.19 0.00 -2.06 1.64 1.02 -1.26 -4.68 120.64 112.11 2bkd n GLU 75 Ca 0.00 0.35 -0.29 0.00 -0.02 0.00 0.00 57.16 57.20 2bkd n GLU 75 Cb 0.00 -1.34 0.03 0.00 -0.02 0.00 0.00 31.44 30.11 2bkd n GLU 75 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bkd s PRO 76 N -2.37 3.13 -0.06 3.49 0.04 -1.26 -5.00 135.00 132.97 2bkd s PRO 76 Ca 0.00 0.41 -0.27 0.00 0.04 0.00 0.00 61.00 61.18 2bkd s PRO 76 Cb 0.00 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2bkd s PRO 76 CO 0.00 -0.76 0.87 0.00 0.04 0.00 0.00 177.00 177.15 2bkd s TRP 79 N 1.86 1.92 0.32 0.00 0.51 -1.26 -1.74 118.94 120.55 2bkd s TRP 79 Ca 0.00 -0.50 0.09 0.00 -2.12 0.00 0.00 56.10 53.57 2bkd s TRP 79 Cb -0.17 -1.26 -0.05 0.00 -0.81 0.00 0.00 33.47 31.18 2bkd s TRP 79 CO -0.10 -0.13 0.08 -1.58 -0.51 0.00 0.00 176.95 174.70 2bkd s TRP 80 N -0.18 2.67 -0.21 -1.98 0.51 -0.59 -4.81 118.94 114.35 2bkd s TRP 80 Ca 0.00 -0.36 -0.13 0.00 -2.12 0.00 0.00 56.10 53.49 2bkd s TRP 80 Cb -0.11 -1.51 -0.04 0.00 -0.81 0.00 0.00 33.47 31.00 2bkd s TRP 80 CO 0.02 0.43 0.28 -0.48 -0.51 0.00 0.00 176.95 176.68 2bkd s LEU 81 N -3.78 4.15 0.06 2.99 0.05 -1.26 -1.19 118.68 119.70 2bkd s LEU 81 Ca 0.36 0.34 -0.08 0.00 0.05 0.00 0.00 54.13 54.80 2bkd s LEU 81 Cb -0.03 -2.31 -0.01 0.00 -2.05 0.00 0.00 46.19 41.80 2bkd s LEU 81 CO 0.21 0.01 0.15 0.00 -0.55 0.00 0.00 176.35 176.18 2bkd s ALA 82 N 1.06 -0.16 -0.12 1.48 0.00 -0.59 -2.85 121.76 120.58 2bkd s ALA 82 Ca 0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 2bkd s ALA 82 Cb -0.14 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 2bkd s ALA 82 CO 0.06 -0.43 -0.04 0.15 0.00 0.00 0.00 175.76 175.50 2bkd s LYS 83 N -3.34 3.35 -0.19 0.00 -0.14 -0.42 -0.12 119.74 118.89 2bkd s LYS 83 Ca 0.01 -0.50 -0.10 0.00 -1.36 0.00 0.00 55.97 54.01 2bkd s LYS 83 Cb 0.03 -2.82 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 2bkd s LYS 83 CO -0.08 0.42 0.15 0.08 -0.76 0.00 0.00 175.35 175.16 2bkd s VAL 84 N -0.12 5.40 -0.14 3.17 1.01 -1.07 -0.87 120.40 127.77 2bkd s VAL 84 Ca 0.03 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 2bkd s VAL 84 Cb -0.13 -3.49 -0.24 0.00 0.00 0.00 0.00 36.38 32.52 2bkd s VAL 84 CO 0.02 0.43 0.44 -0.09 0.00 0.00 0.00 175.10 175.91 2bkd h ARG 85 N 6.66 0.14 -3.10 2.72 2.43 -1.41 -3.42 114.38 118.40 2bkd h ARG 85 Ca -0.41 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.40 2bkd h ARG 85 Cb 1.15 0.09 -0.19 0.00 -0.42 0.00 0.00 29.97 30.60 2bkd h ARG 85 CO 0.76 1.12 -0.28 0.00 -1.51 0.00 0.00 179.97 180.06 2bkd s MET 86 N -2.43 0.69 -0.14 0.20 0.23 -1.25 -4.85 119.30 111.76 2bkd s MET 86 Ca -0.23 -0.26 0.01 0.00 -1.03 0.00 0.00 55.69 54.18 2bkd s MET 86 Cb 0.04 0.30 -0.00 0.00 -1.53 0.00 0.00 34.83 33.65 2bkd s MET 86 CO 0.70 -0.20 -0.18 0.42 -2.03 0.00 0.00 175.02 173.74 2bkd s ILE 87 N -1.57 2.49 -0.48 3.16 1.01 -1.26 -1.72 121.20 122.83 2bkd s ILE 87 Ca -0.12 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2bkd s ILE 87 Cb -0.04 -2.02 0.13 0.00 0.01 0.00 0.00 42.46 40.54 2bkd s ILE 87 CO 0.03 0.53 0.25 -0.75 0.00 0.00 0.00 174.94 175.00 2bkd s LYS 88 N 0.66 1.61 1.52 2.79 2.20 0.15 -4.99 119.74 123.69 2bkd s LYS 88 Ca -0.09 -2.30 0.00 0.00 -0.36 0.00 0.00 55.97 53.22 2bkd s LYS 88 Cb -0.16 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 2bkd s LYS 88 CO 0.02 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 2bkd n GLY 89 N 3.33 0.88 0.00 5.54 0.00 -1.26 -1.15 105.19 112.53 2bkd n GLY 89 Ca 0.07 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.62 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 3.68 -3.88 1.61 1.02 -1.26 -5.02 120.64 116.79 2bkd n GLU 90 Ca 0.00 -0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.78 2bkd n GLU 90 Cb 0.00 -0.93 -0.05 0.00 -0.02 0.00 0.00 31.44 30.43 2bkd n GLU 90 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2bkd s PHE 91 N -1.89 3.57 -0.03 -0.32 5.36 -0.30 -3.97 117.98 120.39 2bkd s PHE 91 Ca 0.02 0.44 0.01 0.00 -0.96 0.00 0.00 56.93 56.44 2bkd s PHE 91 Cb 0.06 -1.88 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 2bkd s PHE 91 CO 0.34 0.68 -0.02 0.71 -1.46 0.00 0.00 175.22 175.47 2bkd s TYR 92 N -1.21 0.52 -0.30 10.12 1.51 0.73 -0.67 117.35 128.05 2bkd s TYR 92 Ca 0.23 -0.10 -0.10 0.00 -1.01 0.00 0.00 57.07 56.08 2bkd s TYR 92 Cb -0.12 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 2bkd s TYR 92 CO 0.13 -0.15 0.17 0.08 -1.11 0.00 0.00 175.55 174.67 2bkd s VAL 93 N 0.92 4.93 -0.02 0.71 1.01 -0.70 -1.53 120.40 125.72 2bkd s VAL 93 Ca -0.11 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2bkd s VAL 93 Cb -0.14 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2bkd s VAL 93 CO -0.01 0.14 -0.22 -0.63 0.00 0.00 0.00 175.10 174.38 2bkd s ILE 94 N 1.68 1.76 -0.18 2.22 1.01 -0.60 -1.02 121.20 126.07 2bkd s ILE 94 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2bkd s ILE 94 Cb -0.17 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.84 2bkd s ILE 94 CO 0.08 0.50 -0.14 -0.70 0.00 0.00 0.00 174.94 174.68 2bkd s GLU 95 N -0.45 3.19 0.03 2.79 2.12 -0.05 -1.95 118.70 124.38 2bkd s GLU 95 Ca 0.07 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.61 2bkd s GLU 95 Cb -0.09 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.53 2bkd s GLU 95 CO -0.00 -0.13 0.26 0.71 -0.54 0.00 0.00 175.26 175.57 2bkd s TYR 96 N 1.18 3.55 -0.08 5.30 1.51 0.58 -1.29 117.35 128.10 2bkd s TYR 96 Ca 0.02 0.50 0.03 0.00 -1.01 0.00 0.00 57.07 56.60 2bkd s TYR 96 Cb -0.14 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2bkd s TYR 96 CO -0.06 0.59 -0.17 0.00 -1.11 0.00 0.00 175.55 174.81 2bkd s ALA 97 N -1.38 2.53 0.00 3.71 0.00 -1.13 -4.65 121.76 120.83 2bkd s ALA 97 Ca 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2bkd s ALA 97 Cb -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2bkd s ALA 97 CO 0.19 0.43 0.00 0.00 0.00 0.00 0.00 175.76 176.38 2bkd n ALA 98 N 2.85 0.00 -0.44 0.00 0.00 -1.26 -4.59 120.51 117.06 2bkd n ALA 98 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2bkd n ALA 98 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 3.47 0.00 -0.64 0.00 5.68 -1.26 -4.78 116.55 119.01 2bkd n ASP 100 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2bkd n ASP 100 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bkd n ALA 101 N -3.00 0.00 -1.40 2.12 0.00 -1.26 -5.08 120.51 111.89 2bkd n ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bkd n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bkd n ALA 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2bkd n THR 102 N -0.08 -5.64 0.00 0.00 -1.04 -1.26 -4.92 114.28 101.34 2bkd n THR 102 Ca 0.00 1.01 0.00 0.00 -2.04 0.00 0.00 64.05 63.02 2bkd n THR 102 Cb 0.00 -3.93 0.00 0.00 -1.82 0.00 0.00 70.33 64.58 2bkd n THR 102 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2bkd n TYR 103 N 0.58 0.00 -3.69 -1.42 4.01 -1.26 -4.56 117.16 110.81 2bkd n TYR 103 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2bkd n TYR 103 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2bkd n TYR 103 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bkd s ASN 104 N -3.35 5.44 -0.08 7.72 3.04 -1.26 -0.31 114.94 126.15 2bkd s ASN 104 Ca 0.00 -1.33 -0.02 0.00 0.04 0.00 0.00 52.86 51.56 2bkd s ASN 104 Cb 0.00 -1.91 -0.03 0.00 -1.54 0.00 0.00 41.25 37.76 2bkd s ASN 104 CO 0.00 -0.42 0.02 -1.83 -3.04 0.00 0.00 177.10 171.83 2bkd s GLU 105 N 1.40 3.00 -0.28 0.43 -1.05 -0.82 -4.99 118.70 116.40 2bkd s GLU 105 Ca 0.01 -0.41 -0.07 0.00 -0.15 0.00 0.00 54.97 54.35 2bkd s GLU 105 Cb -0.21 -2.82 -0.00 0.00 -0.44 0.00 0.00 34.13 30.66 2bkd s GLU 105 CO 0.02 0.70 0.07 0.96 0.95 0.00 0.00 175.26 177.96 2bkd s ILE 106 N -0.93 4.03 0.17 1.83 -4.36 -1.26 -1.56 121.20 119.12 2bkd s ILE 106 Ca 0.15 -0.54 -0.05 0.00 -0.26 0.00 0.00 60.65 59.95 2bkd s ILE 106 Cb -0.11 -3.01 -0.02 0.00 1.25 0.00 0.00 42.46 40.56 2bkd s ILE 106 CO 0.04 0.17 0.20 0.68 0.24 0.00 0.00 174.94 176.26 2bkd s VAL 107 N 1.53 0.06 -0.17 8.37 -7.23 -0.58 -4.99 120.40 117.39 2bkd s VAL 107 Ca 0.04 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2bkd s VAL 107 Cb -0.16 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2bkd s VAL 107 CO 0.02 -0.27 -0.07 0.28 -0.31 0.00 0.00 175.10 174.76 2bkd s THR 108 N -4.04 3.44 -0.18 5.32 -1.32 -1.26 -0.19 115.64 117.41 2bkd s THR 108 Ca 0.24 -0.50 -0.16 0.00 -1.21 0.00 0.00 61.69 60.05 2bkd s THR 108 Cb 0.05 -2.51 0.05 0.00 -1.51 0.00 0.00 72.50 68.58 2bkd s THR 108 CO 0.04 0.48 0.48 0.27 -2.21 0.00 0.00 174.62 173.68 2bkd s ILE 109 N 0.71 -0.00 -2.80 5.08 -4.36 -1.26 -5.03 121.20 113.55 2bkd s ILE 109 Ca -0.03 0.00 0.23 0.00 -0.26 0.00 0.00 60.65 60.59 2bkd s ILE 109 Cb -0.15 -0.67 0.25 0.00 1.25 0.00 0.00 42.46 43.15 2bkd s ILE 109 CO 0.02 0.00 1.29 -0.62 0.24 0.00 0.00 174.94 175.87 2bkd n GLU 110 N 2.86 2.34 -2.11 0.37 1.02 -1.26 -4.54 120.64 119.31 2bkd n GLU 110 Ca -0.14 -2.02 -0.38 0.00 -0.02 0.00 0.00 57.16 54.61 2bkd n GLU 110 Cb 0.57 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 2bkd n GLU 110 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bkd n ARG 111 N 1.37 4.20 -5.03 3.49 1.74 -1.26 -4.91 116.66 116.26 2bkd n ARG 111 Ca 0.15 -3.68 -0.32 0.00 -0.77 0.00 0.00 57.85 53.23 2bkd n ARG 111 Cb 0.59 -2.43 -0.16 0.00 -1.02 0.00 0.00 32.46 29.45 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bkd s LEU 112 N -3.21 2.37 0.28 0.55 1.43 -1.26 -3.64 118.68 115.20 2bkd s LEU 112 Ca 0.50 -0.44 0.12 0.00 -1.03 0.00 0.00 54.13 53.27 2bkd s LEU 112 Cb 0.26 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 2bkd s LEU 112 CO -0.18 0.18 -0.20 -0.13 0.23 0.00 0.00 176.35 176.25 2bkd s ARG 113 N 0.22 1.67 0.21 1.70 1.81 -0.69 -4.95 118.95 118.93 2bkd s ARG 113 Ca -0.12 -1.76 -0.21 0.00 -1.72 0.00 0.00 55.73 51.91 2bkd s ARG 113 Cb -0.16 -1.74 -0.08 0.00 -0.45 0.00 0.00 34.95 32.51 2bkd s ARG 113 CO 0.07 0.32 0.74 0.45 -0.68 0.00 0.00 175.30 176.20 2bkd s SER 114 N -3.50 7.13 0.56 0.23 0.15 -1.26 -0.22 113.70 116.79 2bkd s SER 114 Ca 0.30 1.47 -0.14 0.00 0.70 0.00 0.00 55.95 58.28 2bkd s SER 114 Cb -0.05 -2.44 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 2bkd s SER 114 CO 0.15 0.07 1.00 0.54 1.20 0.00 0.00 173.24 176.20 2bkd s VAL 115 N -1.44 4.58 -0.50 4.45 0.11 -1.24 -4.69 120.40 121.68 2bkd s VAL 115 Ca 0.41 1.08 -0.17 0.00 -2.93 0.00 0.00 61.98 60.37 2bkd s VAL 115 Cb -0.18 -3.77 0.07 0.00 -1.53 0.00 0.00 36.38 30.98 2bkd s VAL 115 CO 0.22 -0.86 0.51 0.54 -3.33 0.00 0.00 175.10 172.18 2bkd s ASN 116 N -3.49 6.18 -1.52 3.54 4.22 -1.26 -4.99 114.94 117.63 2bkd s ASN 116 Ca 0.57 -1.21 -0.09 0.00 -2.14 0.00 0.00 52.86 49.99 2bkd s ASN 116 Cb -0.10 -2.23 -0.01 0.00 1.28 0.00 0.00 41.25 40.18 2bkd s ASN 116 CO 0.40 -0.79 2.71 -0.81 -2.04 0.00 0.00 177.10 176.57 2bkd n PRO 117 N 5.65 3.88 -2.15 3.55 -0.04 -1.26 -4.96 135.00 139.67 2bkd n PRO 117 Ca -0.10 -2.63 -0.32 0.00 -0.04 0.00 0.00 63.50 60.41 2bkd n PRO 117 Cb 0.44 -2.80 -0.01 0.00 -0.04 0.00 0.00 33.50 31.09 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 1.71 6.19 0.67 3.54 4.22 -1.26 -4.99 114.94 125.02 2bkd s ASN 118 Ca 0.63 1.64 -0.14 0.00 -2.14 0.00 0.00 52.86 52.84 2bkd s ASN 118 Cb 0.17 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.20 2bkd s ASN 118 CO -0.07 -0.88 1.10 -0.54 -2.04 0.00 0.00 177.10 174.67 2bkd s LYS 119 N -4.27 2.80 0.00 3.55 1.02 -1.26 -4.98 119.74 116.60 2bkd s LYS 119 Ca 0.60 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.92 2bkd s LYS 119 Cb -0.12 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2bkd s LYS 119 CO 0.38 -1.24 0.06 -0.35 -0.92 0.00 0.00 175.35 173.28 2bkd n PRO 120 N -2.52 0.00 -3.62 -1.68 -0.04 -1.26 -4.12 135.00 121.76 2bkd n PRO 120 Ca 0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 2bkd n PRO 120 Cb 0.52 -0.39 -0.06 0.00 -0.04 0.00 0.00 33.50 33.53 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 -3.53 -2.03 0.00 0.55 0.00 -1.26 -1.54 121.76 113.95 2bkd s ALA 121 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2bkd s ALA 121 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2bkd s ALA 121 CO 0.00 -0.23 0.00 -2.37 0.00 0.00 0.00 175.76 173.16 2bkd n THR 122 N 1.53 0.00 -0.09 0.00 5.66 -1.26 -4.95 114.28 115.16 2bkd n THR 122 Ca -0.10 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.76 2bkd n THR 122 Cb 0.57 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.29 2bkd n THR 122 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2bkd n LYS 123 N 0.00 0.52 0.20 1.09 5.02 -1.26 -4.11 118.16 119.62 2bkd n LYS 123 Ca 0.00 0.48 0.05 0.00 -2.02 0.00 0.00 58.31 56.83 2bkd n LYS 123 Cb 0.00 -1.66 0.43 0.00 -0.02 0.00 0.00 35.03 33.78 2bkd n LYS 123 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2bkd h ASP 124 N -1.00 0.00 -0.79 4.39 3.58 -1.97 -2.32 116.42 118.31 2bkd h ASP 124 Ca -0.20 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.26 2bkd h ASP 124 Cb 0.97 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.98 2bkd h ASP 124 CO -0.12 0.32 0.52 0.71 -2.88 0.00 0.00 179.24 177.78 2bkd h THR 125 N 0.00 1.17 -1.00 2.25 1.35 -1.92 -3.44 112.91 111.31 2bkd h THR 125 Ca -0.00 -0.36 -0.49 0.00 -0.55 0.00 0.00 66.41 65.01 2bkd h THR 125 Cb 0.64 0.04 -0.18 0.00 -1.73 0.00 0.00 68.15 66.92 2bkd h THR 125 CO 0.04 0.19 0.49 0.49 -0.25 0.00 0.00 175.52 176.48 2bkd n PHE 126 N -4.56 1.81 -3.33 4.73 3.72 -0.88 -5.05 117.46 113.91 2bkd n PHE 126 Ca 0.08 -2.06 -0.11 0.00 -0.05 0.00 0.00 57.45 55.32 2bkd n PHE 126 Cb 0.04 -1.27 -0.07 0.00 -0.94 0.00 0.00 39.48 37.25 2bkd n PHE 126 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2bkd s LYS 128 N -2.09 0.38 0.18 -1.08 1.02 -1.26 -5.13 119.74 111.75 2bkd s LYS 128 Ca 0.52 0.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.37 2bkd s LYS 128 Cb 0.36 -0.41 -0.08 0.00 -0.52 0.00 0.00 37.83 37.19 2bkd s LYS 128 CO -0.17 -0.96 1.13 0.42 -0.92 0.00 0.00 175.35 174.86 2bkd s ILE 129 N 2.51 3.78 -0.28 2.17 1.01 -1.26 -5.00 121.20 124.13 2bkd s ILE 129 Ca 0.10 1.52 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 2bkd s ILE 129 Cb -0.13 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2bkd s ILE 129 CO -0.28 0.25 1.07 -0.54 0.00 0.00 0.00 174.94 175.45 2bkd s LYS 130 N -0.28 4.14 -0.02 2.79 3.01 -1.26 -5.02 119.74 123.10 2bkd s LYS 130 Ca 0.51 1.20 0.04 0.00 -1.01 0.00 0.00 55.97 56.71 2bkd s LYS 130 Cb -0.30 -3.71 -0.03 0.00 -1.01 0.00 0.00 37.83 32.78 2bkd s LYS 130 CO 0.35 -0.80 -0.14 -0.51 0.51 0.00 0.00 175.35 174.76 2bkd s LEU 131 N 3.50 2.76 0.00 3.17 1.43 -1.26 -5.03 118.68 123.25 2bkd s LEU 131 Ca 0.45 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2bkd s LEU 131 Cb -0.14 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2bkd s LEU 131 CO 0.12 0.31 0.00 -0.67 0.23 0.00 0.00 176.35 176.34 2bkd n ASP 132 N 2.01 0.00 -4.17 2.29 -0.08 -1.26 -4.31 116.55 111.04 2bkd n ASP 132 Ca -0.17 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.75 2bkd n ASP 132 Cb 0.52 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.86 2bkd n ASP 132 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2bkd s VAL 133 N 0.00 3.32 -2.00 5.18 1.01 -1.26 -5.30 120.40 121.34 2bkd s VAL 133 Ca 0.00 -1.66 0.14 0.00 0.00 0.00 0.00 61.98 60.46 2bkd s VAL 133 Cb 0.00 -3.08 0.40 0.00 0.00 0.00 0.00 36.38 33.70 2bkd s VAL 133 CO 0.00 -0.41 1.26 -2.65 0.00 0.00 0.00 175.10 173.30