#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 3.86 -1.09 3.17 0.41 -1.26 -4.97 118.70 118.82 2bkd s GLU 2 Ca 0.00 1.20 -0.16 0.00 -0.41 0.00 0.00 54.97 55.60 2bkd s GLU 2 Cb 0.00 -2.11 0.16 0.00 -1.78 0.00 0.00 34.13 30.39 2bkd s GLU 2 CO 0.00 -0.36 1.30 -1.21 -0.49 0.00 0.00 175.26 174.49 2bkd s GLU 3 N -3.52 3.89 0.04 1.61 0.41 -1.26 -4.71 118.70 115.16 2bkd s GLU 3 Ca 0.64 -2.27 -0.13 0.00 -0.41 0.00 0.00 54.97 52.79 2bkd s GLU 3 Cb -0.13 -4.99 -0.06 0.00 -1.78 0.00 0.00 34.13 27.18 2bkd s GLU 3 CO 0.23 -1.75 0.42 -0.51 -0.49 0.00 0.00 175.26 173.16 2bkd s LEU 4 N 1.93 4.42 -0.02 1.80 2.01 -1.24 -4.96 118.68 122.62 2bkd s LEU 4 Ca 0.38 0.91 -0.24 0.00 0.01 0.00 0.00 54.13 55.19 2bkd s LEU 4 Cb -0.04 -2.78 -0.04 0.00 0.01 0.00 0.00 46.19 43.33 2bkd s LEU 4 CO -0.04 0.25 0.73 -0.69 1.01 0.00 0.00 176.35 177.62 2bkd s VAL 5 N -1.23 4.91 0.31 -1.59 1.01 -1.26 -0.23 120.40 122.32 2bkd s VAL 5 Ca 0.28 1.54 0.08 0.00 0.00 0.00 0.00 61.98 63.88 2bkd s VAL 5 Cb -0.16 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2bkd s VAL 5 CO 0.15 0.30 -0.08 0.54 0.00 0.00 0.00 175.10 176.02 2bkd s VAL 6 N 0.43 1.90 -0.14 2.92 0.11 0.02 -4.46 120.40 121.17 2bkd s VAL 6 Ca 0.38 -2.16 -0.03 0.00 -2.93 0.00 0.00 61.98 57.24 2bkd s VAL 6 Cb -0.19 -2.53 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 2bkd s VAL 6 CO 0.20 -0.26 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.07 2bkd s GLU 7 N -3.68 3.53 0.08 1.54 2.02 -0.74 -0.65 118.70 120.80 2bkd s GLU 7 Ca 0.31 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.88 2bkd s GLU 7 Cb 0.03 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 2bkd s GLU 7 CO 0.14 0.33 -0.24 0.54 0.02 0.00 0.00 175.26 176.04 2bkd s VAL 8 N 0.13 1.96 0.21 2.63 0.11 -0.06 -0.90 120.40 124.48 2bkd s VAL 8 Ca -0.01 -1.47 0.06 0.00 -2.93 0.00 0.00 61.98 57.63 2bkd s VAL 8 Cb -0.14 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 2bkd s VAL 8 CO 0.03 0.17 0.19 -0.13 -3.33 0.00 0.00 175.10 172.02 2bkd s ARG 9 N -1.57 2.98 0.00 1.54 3.00 0.62 -0.92 118.95 124.60 2bkd s ARG 9 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 55.73 54.90 2bkd s ARG 9 Cb -0.10 -2.64 0.00 0.00 0.00 0.00 0.00 34.95 32.21 2bkd s ARG 9 CO 0.03 0.44 0.00 0.41 0.00 0.00 0.00 175.30 176.19 2bkd n GLY 10 N -0.83 -1.13 2.50 -3.53 0.00 -1.26 -4.80 105.19 96.14 2bkd n GLY 10 Ca -0.08 0.60 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 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 2.03 0.00 1.61 2.88 -1.26 -4.75 113.62 114.13 2bkd n SER 11 Ca 0.00 -3.03 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 2bkd n SER 11 Cb 0.00 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 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 1.64 0.00 0.00 -3.46 5.15 -1.26 -5.04 115.26 112.29 2bkd n ASN 12 Ca 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 2bkd n ASN 12 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 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 0.79 3.17 2.51 8.20 0.00 -1.26 -5.05 105.19 113.54 2bkd n GLY 13 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 0.37 -2.25 4.61 0.00 -1.26 -5.12 120.51 116.86 2bkd n ALA 14 Ca 0.00 -1.54 -0.35 0.00 0.00 0.00 0.00 53.44 51.55 2bkd n ALA 14 Cb 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.15 3.55 -0.04 0.00 -0.71 -1.26 -4.50 117.98 112.87 2bkd s PHE 15 Ca 0.06 1.16 0.05 0.00 -1.04 0.00 0.00 56.93 57.15 2bkd s PHE 15 Cb -0.00 -2.46 -0.01 0.00 -1.21 0.00 0.00 43.02 39.34 2bkd s PHE 15 CO 0.04 0.32 -0.19 1.52 -1.34 0.00 0.00 175.22 175.57 2bkd s TYR 16 N -1.62 1.83 -0.04 3.49 1.13 -0.10 -4.95 117.35 117.09 2bkd s TYR 16 Ca 0.44 -0.50 -0.24 0.00 -1.41 0.00 0.00 57.07 55.36 2bkd s TYR 16 Cb -0.14 -1.22 -0.04 0.00 -1.10 0.00 0.00 41.96 39.46 2bkd s TYR 16 CO 0.20 -0.15 0.73 0.15 -2.51 0.00 0.00 175.55 173.96 2bkd s LYS 17 N -0.08 4.45 -0.05 -3.49 1.02 -1.26 -0.88 119.74 119.44 2bkd s LYS 17 Ca -0.02 0.94 0.04 0.00 0.02 0.00 0.00 55.97 56.95 2bkd s LYS 17 Cb -0.11 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2bkd s LYS 17 CO 0.02 0.11 -0.16 0.00 -0.92 0.00 0.00 175.35 174.40 2bkd s ALA 18 N 0.62 1.45 -0.21 5.17 0.00 0.17 -4.71 121.76 124.24 2bkd s ALA 18 Ca 0.38 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 2bkd s ALA 18 Cb -0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2bkd s ALA 18 CO 0.20 0.22 -0.01 -0.06 0.00 0.00 0.00 175.76 176.11 2bkd s PHE 19 N 0.24 3.01 0.06 0.00 0.08 -0.46 -0.80 117.98 120.12 2bkd s PHE 19 Ca -0.08 -0.58 -0.30 0.00 0.12 0.00 0.00 56.93 56.09 2bkd s PHE 19 Cb -0.13 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.14 2bkd s PHE 19 CO 0.03 -0.32 1.94 0.08 -0.10 0.00 0.00 175.22 176.85 2bkd s VAL 20 N 1.13 2.86 -0.12 -0.44 1.01 0.68 -0.32 120.40 125.20 2bkd s VAL 20 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 2bkd s VAL 20 Cb -0.14 -3.00 -0.26 0.00 0.00 0.00 0.00 36.38 32.97 2bkd s VAL 20 CO 0.01 -0.00 0.37 0.29 0.00 0.00 0.00 175.10 175.77 2bkd n LYS 21 N 7.04 0.76 -3.57 2.72 5.02 0.84 -3.63 118.16 127.34 2bkd n LYS 21 Ca 0.19 0.26 -0.12 0.00 -2.02 0.00 0.00 58.31 56.63 2bkd n LYS 21 Cb 0.40 -1.71 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 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 -7.05 -0.39 0.20 4.39 2.15 -0.72 -2.79 116.67 112.47 2bkd s ASP 22 Ca -0.22 -0.03 0.10 0.00 0.43 0.00 0.00 52.55 52.83 2bkd s ASP 22 Cb 0.07 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.14 2bkd s ASP 22 CO 0.77 -0.80 -0.20 0.68 -0.17 0.00 0.00 175.17 175.45 2bkd s VAL 23 N -3.12 2.07 -0.16 1.11 -7.23 -1.26 -0.76 120.40 111.05 2bkd s VAL 23 Ca -0.02 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 2bkd s VAL 23 Cb 0.00 -2.02 -0.23 0.00 0.56 0.00 0.00 36.38 34.69 2bkd s VAL 23 CO -0.07 -0.30 0.21 1.21 -0.31 0.00 0.00 175.10 175.83 2bkd n GLU 25 N 0.06 0.69 0.04 4.82 4.07 -1.26 -5.02 120.64 124.05 2bkd n GLU 25 Ca -0.11 0.20 0.11 0.00 -0.06 0.00 0.00 57.16 57.30 2bkd n GLU 25 Cb 0.58 -1.64 -0.08 0.00 -0.06 0.00 0.00 31.44 30.24 2bkd n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2bkd n ASP 26 N -3.23 0.44 -3.62 4.31 8.00 -1.26 -5.00 116.55 116.19 2bkd n ASP 26 Ca -0.33 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.16 2bkd n ASP 26 Cb 1.05 1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 43.33 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2bkd s SER 27 N -4.77 -0.39 -0.09 -2.24 1.04 -1.26 -4.74 113.70 101.24 2bkd s SER 27 Ca -0.03 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.13 2bkd s SER 27 Cb 0.12 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 2bkd s SER 27 CO 0.85 -1.07 -0.15 -0.51 0.98 0.00 0.00 173.24 173.34 2bkd s ILE 28 N -3.82 2.90 -0.18 -1.02 2.07 0.11 -4.61 121.20 116.65 2bkd s ILE 28 Ca 0.06 -0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 58.49 2bkd s ILE 28 Cb -0.02 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 40.37 2bkd s ILE 28 CO -0.06 0.56 0.03 -0.89 -1.91 0.00 0.00 174.94 172.67 2bkd s THR 29 N -0.11 4.46 0.04 4.00 2.01 0.06 -0.77 115.64 125.33 2bkd s THR 29 Ca -0.02 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 2bkd s THR 29 Cb -0.14 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2bkd s THR 29 CO 0.04 0.46 -0.01 0.68 -0.69 0.00 0.00 174.62 175.10 2bkd s VAL 30 N 0.50 0.17 -0.13 3.82 -7.23 -0.78 -0.11 120.40 116.64 2bkd s VAL 30 Ca 0.01 -1.38 -0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2bkd s VAL 30 Cb -0.13 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.86 2bkd s VAL 30 CO 0.01 -0.76 0.32 0.00 -0.31 0.00 0.00 175.10 174.37 2bkd s ALA 31 N -2.88 -0.80 0.23 1.32 0.00 0.56 -3.84 121.76 116.36 2bkd s ALA 31 Ca -0.03 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2bkd s ALA 31 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2bkd s ALA 31 CO -0.06 -0.20 0.41 -0.06 0.00 0.00 0.00 175.76 175.85 2bkd s PHE 32 N 0.89 3.48 -0.42 0.00 0.08 -1.26 -1.35 117.98 119.40 2bkd s PHE 32 Ca -0.06 0.29 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 2bkd s PHE 32 Cb -0.07 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2bkd s PHE 32 CO -0.06 0.34 1.95 -2.00 -0.10 0.00 0.00 175.22 175.35 2bkd s GLU 33 N -3.59 2.94 -0.83 0.44 2.12 -1.26 -4.82 118.70 113.69 2bkd s GLU 33 Ca 0.38 1.27 -0.25 0.00 0.36 0.00 0.00 54.97 56.73 2bkd s GLU 33 Cb -0.10 -4.32 -0.02 0.00 0.26 0.00 0.00 34.13 29.95 2bkd s GLU 33 CO 0.30 -2.33 1.77 -0.80 -0.54 0.00 0.00 175.26 173.66 2bkd s ASN 34 N 7.77 5.52 -0.22 -1.70 0.02 -1.26 -4.61 114.94 120.45 2bkd s ASN 34 Ca 0.81 -0.53 -0.10 0.00 -1.02 0.00 0.00 52.86 52.02 2bkd s ASN 34 Cb -0.20 -2.55 -0.10 0.00 0.02 0.00 0.00 41.25 38.41 2bkd s ASN 34 CO 0.29 -2.34 -0.28 -3.20 0.02 0.00 0.00 177.10 171.60 2bkd n ASN 35 N 12.28 1.68 0.00 -1.22 5.15 -1.26 -4.97 115.26 126.92 2bkd n ASN 35 Ca 0.30 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 2bkd n ASN 35 Cb 0.49 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 2bkd n ASN 35 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 2bkd n TRP 36 N -3.90 0.00 -3.73 1.20 4.27 -1.26 -5.09 117.44 108.93 2bkd n TRP 36 Ca -0.44 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.08 2bkd n TRP 36 Cb 0.83 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.72 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 -0.35 0.97 0.89 -2.67 1.03 -1.26 -5.15 119.66 113.12 2bkd s GLN 37 Ca 0.00 -0.81 -0.14 0.00 0.04 0.00 0.00 55.36 54.45 2bkd s GLN 37 Cb 0.00 0.42 0.15 0.00 0.03 0.00 0.00 33.01 33.60 2bkd s GLN 37 CO 0.00 -0.35 1.26 -1.25 -2.54 0.00 0.00 175.29 172.40 2bkd s PRO 38 N -3.82 1.22 -0.04 9.60 0.04 -1.26 -5.05 135.00 135.70 2bkd s PRO 38 Ca 0.04 -0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.57 2bkd s PRO 38 Cb 0.03 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2bkd s PRO 38 CO -0.12 -2.05 1.17 0.34 0.04 0.00 0.00 177.00 176.39 2bkd s ASP 39 N -4.76 7.09 0.14 6.66 2.15 -1.26 -5.00 116.67 121.69 2bkd s ASP 39 Ca 0.69 1.81 0.01 0.00 0.43 0.00 0.00 52.55 55.49 2bkd s ASP 39 Cb -0.07 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2bkd s ASP 39 CO 0.51 -0.54 -0.00 0.00 -0.17 0.00 0.00 175.17 174.97 2bkd s ARG 40 N 1.97 0.97 -0.10 4.34 1.70 -1.25 -5.08 118.95 121.50 2bkd s ARG 40 Ca 0.55 -1.45 0.03 0.00 -0.47 0.00 0.00 55.73 54.40 2bkd s ARG 40 Cb -0.25 -0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.05 2bkd s ARG 40 CO 0.23 -0.14 -0.20 -0.65 -1.08 0.00 0.00 175.30 173.46 2bkd s GLN 41 N -3.93 2.63 0.02 3.89 -0.21 -1.26 -1.86 119.66 118.94 2bkd s GLN 41 Ca 0.20 -0.73 0.08 0.00 0.02 0.00 0.00 55.36 54.93 2bkd s GLN 41 Cb 0.06 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 2bkd s GLN 41 CO 0.01 0.09 -0.22 0.42 -2.12 0.00 0.00 175.29 173.47 2bkd s ILE 42 N 0.55 2.47 0.93 1.08 1.01 0.05 -4.93 121.20 122.34 2bkd s ILE 42 Ca -0.15 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.18 2bkd s ILE 42 Cb -0.17 -1.98 0.15 0.00 0.01 0.00 0.00 42.46 40.47 2bkd s ILE 42 CO 0.05 0.41 1.10 -2.84 0.00 0.00 0.00 174.94 173.66 2bkd s PRO 43 N -1.17 0.98 0.00 2.79 0.02 -1.26 -0.71 135.00 135.65 2bkd s PRO 43 Ca 0.13 1.18 -0.04 0.00 0.02 0.00 0.00 61.00 62.29 2bkd s PRO 43 Cb -0.10 -1.75 -0.16 0.00 0.02 0.00 0.00 34.50 32.50 2bkd s PRO 43 CO 0.03 -2.54 2.42 1.19 -0.33 0.00 0.00 177.00 177.77 2bkd n PHE 44 N -4.13 0.00 0.00 6.54 3.72 -1.26 -4.12 117.46 118.21 2bkd n PHE 44 Ca 0.09 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 2bkd n PHE 44 Cb 0.53 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 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 2.68 0.00 -4.87 4.37 9.92 -1.26 -4.51 116.55 122.88 2bkd n ASP 46 Ca 0.26 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 54.16 2bkd n ASP 46 Cb 0.57 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.99 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 5.27 -0.00 2.53 1.01 -1.26 -0.28 120.40 127.67 2bkd s VAL 47 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2bkd s VAL 47 Cb 0.00 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 2bkd s VAL 47 CO 0.00 0.49 -0.03 -0.13 0.00 0.00 0.00 175.10 175.42 2bkd s ARG 48 N -1.39 0.26 -0.27 2.72 0.52 -0.08 -3.58 118.95 117.12 2bkd s ARG 48 Ca 0.23 -0.11 -0.12 0.00 -0.52 0.00 0.00 55.73 55.22 2bkd s ARG 48 Cb -0.14 -0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.03 2bkd s ARG 48 CO 0.12 0.06 0.24 -0.06 0.02 0.00 0.00 175.30 175.69 2bkd s PHE 49 N -0.04 3.23 0.07 -0.53 0.08 0.52 -1.79 117.98 119.52 2bkd s PHE 49 Ca 0.01 0.21 0.25 0.00 0.12 0.00 0.00 56.93 57.52 2bkd s PHE 49 Cb -0.02 -2.43 0.90 0.00 -0.57 0.00 0.00 43.02 40.90 2bkd s PHE 49 CO -0.00 -0.17 1.81 -1.00 -0.10 0.00 0.00 175.22 175.77 2bkd h PRO 50 N 8.25 0.00 -6.59 0.24 0.13 -1.82 -2.95 132.00 129.26 2bkd h PRO 50 Ca -0.34 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.26 2bkd h PRO 50 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2bkd h PRO 50 CO 0.58 0.19 0.56 -1.25 -0.23 0.00 0.00 178.00 177.86 2bkd s PRO 51 N -3.58 4.47 0.00 1.56 0.04 -1.26 -4.88 135.00 131.34 2bkd s PRO 51 Ca 0.01 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2bkd s PRO 51 Cb 0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2bkd s PRO 51 CO 0.63 -0.16 0.00 -0.35 0.04 0.00 0.00 177.00 177.16 2bkd n PRO 52 N 3.11 0.00 0.00 0.56 -0.04 -1.26 -4.77 135.00 132.59 2bkd n PRO 52 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2bkd n PRO 52 Cb 0.45 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.00 0.00 -3.89 0.52 3.14 -1.26 -5.07 118.33 111.78 2bkd n VAL 53 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2bkd n VAL 53 Cb 0.00 -0.88 -0.02 0.00 -1.06 0.00 0.00 33.84 31.88 2bkd n VAL 53 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2bkd s GLY 54 N -4.49 0.23 0.00 7.55 0.00 -1.26 -5.17 107.32 104.18 2bkd s GLY 54 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2bkd s GLY 54 CO 0.00 -0.30 0.00 -1.72 0.00 0.00 0.00 173.10 171.08 2bkd n TYR 55 N -0.47 0.00 0.00 1.90 4.02 -1.26 -4.83 117.16 116.52 2bkd n TYR 55 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2bkd n TYR 55 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 2bkd n TYR 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2bkd n ASN 56 N 0.00 0.00 -4.76 7.72 4.13 -1.26 -4.97 115.26 116.12 2bkd n ASN 56 Ca 0.00 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.85 2bkd n ASN 56 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2bkd n ASN 56 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2bkd s LYS 57 N 0.00 4.29 0.26 3.52 3.01 -1.26 -5.01 119.74 124.54 2bkd s LYS 57 Ca 0.00 2.30 0.02 0.00 -1.01 0.00 0.00 55.97 57.27 2bkd s LYS 57 Cb 0.00 -3.07 -0.03 0.00 -1.01 0.00 0.00 37.83 33.72 2bkd s LYS 57 CO 0.00 -0.31 0.43 0.34 0.51 0.00 0.00 175.35 176.31 2bkd s ASP 58 N -0.17 6.33 0.41 2.83 2.15 -1.26 -5.10 116.67 121.87 2bkd s ASP 58 Ca 0.53 0.30 -0.03 0.00 0.43 0.00 0.00 52.55 53.77 2bkd s ASP 58 Cb -0.41 -1.96 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 2bkd s ASP 58 CO 0.52 -0.13 0.68 -0.51 -0.17 0.00 0.00 175.17 175.56 2bkd s ILE 59 N -2.04 4.98 -0.28 4.11 2.07 -1.26 -4.98 121.20 123.80 2bkd s ILE 59 Ca 0.37 -0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.54 2bkd s ILE 59 Cb -0.10 -3.85 -0.12 0.00 0.13 0.00 0.00 42.46 38.52 2bkd s ILE 59 CO 0.31 -0.69 3.23 0.59 -1.91 0.00 0.00 174.94 176.48 2bkd n ASN 60 N -1.93 5.95 0.00 4.50 4.13 -1.26 -4.95 115.26 121.69 2bkd n ASN 60 Ca -0.01 -2.79 0.00 0.00 1.68 0.00 0.00 54.58 53.46 2bkd n ASN 60 Cb 0.55 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 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 1.89 0.00 -1.25 3.52 1.02 -1.26 -3.40 120.64 121.16 2bkd n GLU 61 Ca 0.47 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.25 2bkd n GLU 61 Cb 0.73 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.11 2bkd n GLU 61 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bkd n SER 62 N 9.15 8.32 0.00 1.62 3.41 -1.26 -4.76 113.62 130.09 2bkd n SER 62 Ca 0.00 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 2bkd n SER 62 Cb 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.44 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2bkd n ASP 63 N 3.59 0.00 -4.45 4.04 2.03 -1.22 -4.76 116.55 115.78 2bkd n ASP 63 Ca 0.75 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.76 2bkd n ASP 63 Cb 0.25 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.52 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2bkd s GLU 64 N 3.13 1.87 0.21 -0.67 -1.05 -1.26 -0.77 118.70 120.16 2bkd s GLU 64 Ca 0.00 -1.10 -0.03 0.00 -0.15 0.00 0.00 54.97 53.68 2bkd s GLU 64 Cb 0.00 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 2bkd s GLU 64 CO 0.00 0.51 0.20 0.14 0.95 0.00 0.00 175.26 177.06 2bkd s VAL 65 N -1.01 0.00 -0.05 1.83 -7.23 0.22 -4.89 120.40 109.28 2bkd s VAL 65 Ca 0.15 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2bkd s VAL 65 Cb -0.10 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2bkd s VAL 65 CO 0.07 0.00 0.06 -1.61 -0.31 0.00 0.00 175.10 173.31 2bkd s GLU 66 N -4.12 3.08 -0.22 4.82 2.02 -0.23 -1.49 118.70 122.56 2bkd s GLU 66 Ca 0.36 -0.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 2bkd s GLU 66 Cb 0.05 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2bkd s GLU 66 CO 0.12 0.68 0.10 0.14 0.02 0.00 0.00 175.26 176.32 2bkd s VAL 67 N -1.07 4.90 -0.29 2.63 -7.23 0.24 -1.33 120.40 118.25 2bkd s VAL 67 Ca 0.18 0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 2bkd s VAL 67 Cb -0.12 -3.25 0.06 0.00 0.56 0.00 0.00 36.38 33.63 2bkd s VAL 67 CO 0.09 0.39 -0.04 -0.47 -0.31 0.00 0.00 175.10 174.76 2bkd s TYR 68 N 0.88 3.31 0.12 2.82 5.04 -1.26 -1.85 117.35 126.41 2bkd s TYR 68 Ca 0.05 -2.18 0.05 0.00 -2.44 0.00 0.00 57.07 52.55 2bkd s TYR 68 Cb -0.13 -2.12 -0.04 0.00 0.35 0.00 0.00 41.96 40.02 2bkd s TYR 68 CO 0.03 -0.86 -0.12 0.45 -1.34 0.00 0.00 175.55 173.71 2bkd s SER 69 N 1.18 1.82 -0.20 4.32 0.15 -1.26 -4.88 113.70 114.82 2bkd s SER 69 Ca -0.05 -0.84 -0.29 0.00 0.70 0.00 0.00 55.95 55.46 2bkd s SER 69 Cb -0.20 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 2bkd s SER 69 CO -0.04 -0.21 1.75 0.00 1.20 0.00 0.00 173.24 175.95 2bkd s ARG 70 N -2.88 3.71 0.00 5.44 1.70 -1.26 -3.34 118.95 122.32 2bkd s ARG 70 Ca 0.09 1.80 0.00 0.00 -0.47 0.00 0.00 55.73 57.16 2bkd s ARG 70 Cb -0.03 -4.11 0.00 0.00 -0.57 0.00 0.00 34.95 30.24 2bkd s ARG 70 CO 0.02 -1.41 0.00 0.00 -1.08 0.00 0.00 175.30 172.83 2bkd n ALA 71 N 8.92 0.00 0.00 7.88 0.00 -1.26 -1.43 120.51 134.62 2bkd n ALA 71 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2bkd n ALA 71 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2bkd n ALA 71 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2bkd n ASN 72 N 0.16 0.00 0.00 0.00 0.23 -1.21 -5.01 115.26 109.43 2bkd n ASN 72 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2bkd n ASN 72 Cb 0.00 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2bkd n ASN 72 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2bkd n GLU 73 N -2.48 0.00 -0.21 -3.83 0.28 -0.52 -4.45 120.64 109.44 2bkd n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2bkd n GLU 73 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -1.65 0.00 0.00 3.44 4.81 -1.25 -4.65 118.16 118.86 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 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.00 -1.32 1.64 1.02 -1.26 -5.07 120.64 115.65 2bkd n GLU 75 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2bkd n GLU 75 Cb 0.33 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.87 2bkd n GLU 75 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2bkd n PRO 76 N 0.00 -0.59 0.00 3.49 -0.04 -1.26 -4.92 135.00 131.68 2bkd n PRO 76 Ca 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2bkd n PRO 76 Cb 0.00 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2bkd n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd n TRP 79 N 1.93 0.00 0.00 0.00 2.14 -1.26 -4.86 117.44 115.40 2bkd n TRP 79 Ca -0.20 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.37 2bkd n TRP 79 Cb 0.57 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.07 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 2.07 0.00 0.00 177.69 180.67 2bkd n TRP 80 N 0.00 0.00 -1.72 -2.67 8.01 -0.77 -4.57 117.44 115.72 2bkd n TRP 80 Ca 0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 2bkd n TRP 80 Cb 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 2bkd n TRP 80 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 2bkd s LEU 81 N 0.00 3.87 0.02 -0.99 1.98 -1.26 -0.59 118.68 121.71 2bkd s LEU 81 Ca 0.00 2.12 -0.01 0.00 -2.89 0.00 0.00 54.13 53.35 2bkd s LEU 81 Cb 0.00 -3.52 -0.02 0.00 0.66 0.00 0.00 46.19 43.31 2bkd s LEU 81 CO 0.00 -1.52 -0.00 0.00 -1.89 0.00 0.00 176.35 172.94 2bkd s ALA 82 N 6.41 0.12 -0.03 5.97 0.00 -0.56 -1.35 121.76 132.32 2bkd s ALA 82 Ca 0.91 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.28 2bkd s ALA 82 Cb -0.35 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2bkd s ALA 82 CO 0.37 -0.21 -0.16 0.15 0.00 0.00 0.00 175.76 175.91 2bkd s LYS 83 N -1.92 1.52 -0.09 0.00 3.01 -0.55 -0.61 119.74 121.11 2bkd s LYS 83 Ca -0.12 -0.56 -0.16 0.00 -1.01 0.00 0.00 55.97 54.12 2bkd s LYS 83 Cb -0.06 -1.38 -0.05 0.00 -1.01 0.00 0.00 37.83 35.33 2bkd s LYS 83 CO -0.02 0.27 0.40 0.08 0.51 0.00 0.00 175.35 176.58 2bkd s VAL 84 N -0.09 5.17 -0.23 3.17 1.01 0.05 -0.70 120.40 128.78 2bkd s VAL 84 Ca -0.00 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.85 2bkd s VAL 84 Cb -0.09 -3.73 -0.19 0.00 0.00 0.00 0.00 36.38 32.36 2bkd s VAL 84 CO 0.01 0.42 -0.13 -2.11 0.00 0.00 0.00 175.10 173.29 2bkd n ARG 85 N 3.07 0.68 -3.93 2.72 -4.01 -0.04 -4.12 116.66 111.03 2bkd n ARG 85 Ca -0.11 0.10 -0.10 0.00 -1.04 0.00 0.00 57.85 56.70 2bkd n ARG 85 Cb 0.52 -1.51 -0.10 0.00 -3.04 0.00 0.00 32.46 28.33 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2bkd s MET 86 N -2.50 0.43 -0.15 2.89 0.23 -1.20 -4.83 119.30 114.17 2bkd s MET 86 Ca -0.27 -0.56 0.01 0.00 -1.03 0.00 0.00 55.69 53.85 2bkd s MET 86 Cb 0.08 0.17 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 2bkd s MET 86 CO 0.65 -0.09 -0.17 0.42 -2.03 0.00 0.00 175.02 173.80 2bkd s ILE 87 N -1.64 2.50 -0.38 3.16 1.01 -1.26 -1.52 121.20 123.07 2bkd s ILE 87 Ca -0.13 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2bkd s ILE 87 Cb -0.07 -2.04 0.12 0.00 0.01 0.00 0.00 42.46 40.47 2bkd s ILE 87 CO -0.01 0.53 0.16 -0.75 0.00 0.00 0.00 174.94 174.87 2bkd s LYS 88 N 0.79 1.05 2.52 2.79 2.20 0.47 -5.01 119.74 124.55 2bkd s LYS 88 Ca -0.06 -1.59 0.00 0.00 -0.36 0.00 0.00 55.97 53.95 2bkd s LYS 88 Cb -0.15 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 2bkd s LYS 88 CO -0.00 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.33 2bkd n GLY 89 N 4.16 1.61 0.00 5.54 0.00 -1.26 -1.47 105.19 113.77 2bkd n GLY 89 Ca 0.04 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.28 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 1.70 -3.84 1.61 4.71 -1.26 -5.02 120.64 118.54 2bkd n GLU 90 Ca 0.00 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.16 56.76 2bkd n GLU 90 Cb 0.00 -1.14 -0.05 0.00 -1.01 0.00 0.00 31.44 29.24 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 -2.42 3.56 -0.04 -0.32 0.08 -0.54 -1.32 117.98 116.97 2bkd s PHE 91 Ca -0.01 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.51 2bkd s PHE 91 Cb 0.07 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 2bkd s PHE 91 CO 0.44 0.62 -0.08 0.71 -0.10 0.00 0.00 175.22 176.82 2bkd s TYR 92 N -1.33 0.95 -0.28 0.36 1.51 -0.20 -0.40 117.35 117.96 2bkd s TYR 92 Ca 0.28 -0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 55.94 2bkd s TYR 92 Cb -0.13 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 2bkd s TYR 92 CO 0.18 -0.18 0.23 0.08 -1.11 0.00 0.00 175.55 174.76 2bkd s VAL 93 N 0.62 5.28 0.05 0.71 1.01 -0.57 -1.53 120.40 125.96 2bkd s VAL 93 Ca -0.10 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2bkd s VAL 93 Cb -0.13 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2bkd s VAL 93 CO 0.01 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 174.50 2bkd s ILE 94 N 1.83 1.51 -0.15 2.22 1.09 -0.14 -0.86 121.20 126.70 2bkd s ILE 94 Ca 0.09 -1.16 -0.03 0.00 -1.10 0.00 0.00 60.65 58.44 2bkd s ILE 94 Cb -0.16 -1.33 -0.03 0.00 -1.06 0.00 0.00 42.46 39.88 2bkd s ILE 94 CO 0.11 0.13 -0.03 -0.70 -0.10 0.00 0.00 174.94 174.35 2bkd s GLU 95 N -1.21 3.60 0.04 2.79 2.12 0.12 -1.70 118.70 124.46 2bkd s GLU 95 Ca 0.06 -0.51 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 2bkd s GLU 95 Cb -0.09 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 2bkd s GLU 95 CO 0.02 0.29 0.24 0.71 -0.54 0.00 0.00 175.26 175.99 2bkd s TYR 96 N 0.22 3.54 0.18 5.30 2.02 -1.26 -1.48 117.35 125.87 2bkd s TYR 96 Ca -0.02 0.42 -0.18 0.00 -0.37 0.00 0.00 57.07 56.91 2bkd s TYR 96 Cb -0.14 -1.88 -0.08 0.00 -0.40 0.00 0.00 41.96 39.47 2bkd s TYR 96 CO 0.03 0.59 0.66 0.00 -1.57 0.00 0.00 175.55 175.25 2bkd s ALA 97 N -1.42 3.48 0.11 3.71 0.00 -0.46 -4.42 121.76 122.76 2bkd s ALA 97 Ca 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2bkd s ALA 97 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2bkd s ALA 97 CO 0.22 0.37 0.16 0.00 0.00 0.00 0.00 175.76 176.51 2bkd n ALA 98 N 0.90 -0.15 -0.08 0.00 0.00 -1.26 -4.46 120.51 115.46 2bkd n ALA 98 Ca -0.04 -0.51 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 2bkd n ALA 98 Cb 0.51 0.41 -0.13 0.00 0.00 0.00 0.00 19.45 20.25 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 -4.55 0.00 -4.64 0.00 5.75 -1.26 -5.09 116.55 106.76 2bkd n ASP 100 Ca -0.17 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.27 2bkd n ASP 100 Cb 0.54 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bkd s ALA 101 N -3.76 3.15 -0.07 2.12 0.00 -1.26 -5.06 121.76 116.88 2bkd s ALA 101 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2bkd s ALA 101 Cb 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2bkd s ALA 101 CO 0.00 0.58 -0.18 0.99 0.00 0.00 0.00 175.76 177.15 2bkd s THR 102 N -0.86 2.68 0.00 0.00 2.01 -1.26 -5.02 115.64 113.19 2bkd s THR 102 Ca 0.13 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2bkd s THR 102 Cb -0.11 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.36 2bkd s THR 102 CO 0.02 0.57 0.00 -1.22 -0.69 0.00 0.00 174.62 173.30 2bkd n TYR 103 N 2.82 0.00 -3.26 4.92 4.01 -1.26 -4.57 117.16 119.81 2bkd n TYR 103 Ca -0.17 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.60 2bkd n TYR 103 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.53 2bkd n TYR 103 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2bkd s ASN 104 N -1.78 -1.20 -0.06 7.72 4.22 -1.26 -4.85 114.94 117.73 2bkd s ASN 104 Ca 0.00 0.95 0.03 0.00 -2.14 0.00 0.00 52.86 51.70 2bkd s ASN 104 Cb 0.00 2.09 -0.02 0.00 1.28 0.00 0.00 41.25 44.59 2bkd s ASN 104 CO 0.00 -0.22 -0.13 -1.61 -2.04 0.00 0.00 177.10 173.10 2bkd s GLU 105 N 2.86 2.68 -0.24 3.55 0.41 -0.69 -4.97 118.70 122.29 2bkd s GLU 105 Ca 0.12 -0.67 -0.09 0.00 -0.41 0.00 0.00 54.97 53.92 2bkd s GLU 105 Cb -0.13 -2.45 -0.04 0.00 -1.78 0.00 0.00 34.13 29.73 2bkd s GLU 105 CO -0.19 0.57 0.11 0.96 -0.49 0.00 0.00 175.26 176.22 2bkd s ILE 106 N -0.58 4.80 0.05 -1.63 -4.36 -1.26 -0.97 121.20 117.25 2bkd s ILE 106 Ca 0.08 -0.01 0.02 0.00 -0.26 0.00 0.00 60.65 60.48 2bkd s ILE 106 Cb -0.11 -3.24 -0.03 0.00 1.25 0.00 0.00 42.46 40.32 2bkd s ILE 106 CO 0.01 0.34 -0.06 -0.69 0.24 0.00 0.00 174.94 174.77 2bkd s VAL 107 N 1.37 0.46 0.35 8.37 1.01 -0.58 -4.99 120.40 126.40 2bkd s VAL 107 Ca 0.06 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 2bkd s VAL 107 Cb -0.15 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 2bkd s VAL 107 CO 0.05 -0.53 0.64 0.42 0.00 0.00 0.00 175.10 175.69 2bkd s THR 108 N -1.94 4.95 0.33 3.92 -4.23 -1.26 -1.03 115.64 116.39 2bkd s THR 108 Ca -0.06 0.16 0.36 0.00 -1.18 0.00 0.00 61.69 60.97 2bkd s THR 108 Cb -0.06 -3.77 0.36 0.00 1.34 0.00 0.00 72.50 70.37 2bkd s THR 108 CO -0.01 -0.48 2.11 -0.29 -0.54 0.00 0.00 174.62 175.40 2bkd h ILE 109 N 1.05 0.00 -0.43 2.99 6.09 -1.57 -1.47 117.51 124.17 2bkd h ILE 109 Ca -0.48 -0.02 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 2bkd h ILE 109 Cb 1.19 0.83 -0.02 0.00 0.47 0.00 0.00 36.82 39.29 2bkd h ILE 109 CO 0.64 0.00 0.26 -0.08 -3.07 0.00 0.00 178.15 175.90 2bkd h GLU 110 N 0.00 0.58 -0.50 2.19 4.81 -1.94 -3.26 114.58 116.45 2bkd h GLU 110 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2bkd h GLU 110 Cb 0.02 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2bkd h GLU 110 CO 0.00 0.42 0.00 0.54 -0.73 0.00 0.00 179.01 179.24 2bkd n ARG 111 N -4.75 4.27 -4.29 1.92 1.74 -0.56 -4.86 116.66 110.13 2bkd n ARG 111 Ca 0.01 -3.05 -0.24 0.00 -0.77 0.00 0.00 57.85 53.80 2bkd n ARG 111 Cb 0.05 -2.11 -0.08 0.00 -1.02 0.00 0.00 32.46 29.30 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 -2.66 3.15 0.05 0.55 1.43 -1.20 -4.13 118.68 115.89 2bkd s LEU 112 Ca 0.51 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2bkd s LEU 112 Cb 0.39 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2bkd s LEU 112 CO 0.15 0.03 -0.05 -0.60 0.23 0.00 0.00 176.35 176.11 2bkd s ARG 113 N -3.45 0.58 0.13 1.70 3.52 -0.44 -4.97 118.95 116.01 2bkd s ARG 113 Ca 0.30 -0.97 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2bkd s ARG 113 Cb -0.07 -0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.25 2bkd s ARG 113 CO 0.19 -0.02 0.09 0.45 -0.81 0.00 0.00 175.30 175.20 2bkd n SER 114 N 0.84 1.51 -2.47 -2.12 2.88 -1.26 -1.07 113.62 111.92 2bkd n SER 114 Ca -0.19 -1.47 -0.03 0.00 -1.33 0.00 0.00 58.87 55.85 2bkd n SER 114 Cb 0.58 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2bkd n SER 114 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2bkd n VAL 115 N -0.77 -7.68 -0.01 2.46 0.31 -1.26 -4.82 118.33 106.54 2bkd n VAL 115 Ca -0.01 0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 64.39 2bkd n VAL 115 Cb 0.15 -6.03 -0.08 0.00 -0.91 0.00 0.00 33.84 26.97 2bkd n VAL 115 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2bkd h ASN 116 N 0.86 0.89 0.00 4.52 4.21 -1.93 -3.30 115.58 120.82 2bkd h ASN 116 Ca 0.00 -0.65 -0.63 0.00 1.21 0.00 0.00 56.30 56.22 2bkd h ASN 116 Cb 0.82 -0.26 0.02 0.00 -1.12 0.00 0.00 38.32 37.78 2bkd h ASN 116 CO 0.17 1.40 2.69 -0.81 -1.29 0.00 0.00 177.43 179.59 2bkd n PRO 117 N -3.98 2.12 -2.15 0.81 -0.04 -1.26 -4.94 135.00 125.57 2bkd n PRO 117 Ca -0.08 -2.03 -0.33 0.00 -0.04 0.00 0.00 63.50 61.02 2bkd n PRO 117 Cb 0.75 -2.95 -0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 4.07 6.00 0.18 3.54 4.22 -1.25 -5.06 114.94 126.64 2bkd s ASN 118 Ca 0.53 1.77 0.05 0.00 -2.14 0.00 0.00 52.86 53.07 2bkd s ASN 118 Cb 0.14 -2.53 -0.04 0.00 1.28 0.00 0.00 41.25 40.10 2bkd s ASN 118 CO 0.02 -1.02 0.13 -1.59 -2.04 0.00 0.00 177.10 172.61 2bkd s LYS 119 N -4.04 2.86 0.80 3.55 -2.85 -1.12 -4.92 119.74 114.03 2bkd s LYS 119 Ca 0.63 -0.92 -0.13 0.00 -1.00 0.00 0.00 55.97 54.55 2bkd s LYS 119 Cb -0.15 -2.61 0.18 0.00 -2.06 0.00 0.00 37.83 33.20 2bkd s LYS 119 CO 0.35 0.47 1.09 -0.35 0.10 0.00 0.00 175.35 177.01 2bkd n PRO 120 N -0.44 -1.00 0.00 1.78 -0.04 -1.26 -0.36 135.00 133.68 2bkd n PRO 120 Ca -0.08 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 2bkd n PRO 120 Cb 0.55 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2bkd n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd n ALA 121 N -3.66 0.00 -0.43 0.55 0.00 -1.24 -4.41 120.51 111.34 2bkd n ALA 121 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2bkd n ALA 121 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2bkd n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bkd n THR 122 N 0.00 0.00 0.34 0.00 -2.24 -1.26 -2.51 114.28 108.61 2bkd n THR 122 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2bkd n THR 122 Cb 0.00 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 68.76 2bkd n THR 122 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2bkd h LYS 123 N 0.00 0.00 0.00 -0.78 3.64 -1.99 -2.20 116.57 115.24 2bkd h LYS 123 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2bkd h LYS 123 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2bkd h LYS 123 CO 0.00 0.00 -1.65 0.22 -2.27 0.00 0.00 179.45 175.75 2bkd h ASP 124 N 0.00 0.00 0.08 4.20 1.82 -1.77 -3.37 116.42 117.38 2bkd h ASP 124 Ca 0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.52 2bkd h ASP 124 Cb 0.29 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.32 2bkd h ASP 124 CO 0.00 0.98 -0.52 0.71 -1.61 0.00 0.00 179.24 178.79 2bkd h THR 125 N 0.00 1.60 -0.41 2.25 1.35 -1.54 -3.44 112.91 112.72 2bkd h THR 125 Ca -0.26 -2.42 -0.14 0.00 -0.55 0.00 0.00 66.41 63.04 2bkd h THR 125 Cb 1.97 3.20 -0.08 0.00 -1.73 0.00 0.00 68.15 71.51 2bkd h THR 125 CO 0.08 0.67 0.05 2.22 -0.25 0.00 0.00 175.52 178.28 2bkd n PHE 126 N -4.30 1.33 -3.36 4.73 -1.74 -1.17 -5.02 117.46 107.93 2bkd n PHE 126 Ca -0.12 -1.30 0.00 0.00 -0.56 0.00 0.00 57.45 55.47 2bkd n PHE 126 Cb 0.69 -0.48 0.00 0.00 1.52 0.00 0.00 39.48 41.21 2bkd n PHE 126 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 2bkd n LYS 128 N -0.79 -0.30 -3.17 3.97 3.00 -1.26 -5.12 118.16 114.50 2bkd n LYS 128 Ca 0.31 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.24 2bkd n LYS 128 Cb 1.07 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 36.04 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 -3.00 5.09 -0.37 3.15 1.09 -1.26 -5.05 121.20 120.85 2bkd s ILE 129 Ca 0.00 1.23 -0.03 0.00 -1.10 0.00 0.00 60.65 60.75 2bkd s ILE 129 Cb 0.00 -3.94 0.09 0.00 -1.06 0.00 0.00 42.46 37.54 2bkd s ILE 129 CO 0.00 0.30 0.14 -0.75 -0.10 0.00 0.00 174.94 174.53 2bkd s LYS 130 N 0.63 2.19 0.10 2.79 2.20 -1.26 -4.91 119.74 121.49 2bkd s LYS 130 Ca 0.32 -1.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 2bkd s LYS 130 Cb -0.17 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2bkd s LYS 130 CO 0.15 -0.91 0.00 -0.11 -0.36 0.00 0.00 175.35 174.12 2bkd n LEU 131 N 4.63 -3.70 -2.32 5.43 7.94 -1.26 -5.00 117.00 122.72 2bkd n LEU 131 Ca -0.06 1.33 -0.03 0.00 -1.11 0.00 0.00 56.01 56.14 2bkd n LEU 131 Cb 0.42 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.83 2bkd n LEU 131 CO 0.31 -0.59 -0.09 -0.67 -1.11 0.00 0.00 177.39 175.24 2bkd n ASP 132 N 0.54 -5.77 -4.75 1.96 2.03 -1.26 -5.02 116.55 104.27 2bkd n ASP 132 Ca 0.00 0.55 -0.38 0.00 0.52 0.00 0.00 54.79 55.48 2bkd n ASP 132 Cb 0.00 -3.76 -0.06 0.00 -0.72 0.00 0.00 41.12 36.58 2bkd n ASP 132 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2bkd s VAL 133 N -1.66 5.13 -2.00 5.18 1.01 -1.26 -5.04 120.40 121.76 2bkd s VAL 133 Ca 0.10 0.92 0.27 0.00 0.00 0.00 0.00 61.98 63.27 2bkd s VAL 133 Cb -0.03 -3.79 0.78 0.00 0.00 0.00 0.00 36.38 33.34 2bkd s VAL 133 CO 0.49 0.41 1.98 -0.81 0.00 0.00 0.00 175.10 177.16