#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 4.24 -0.17 0.03 4.04 -1.26 -5.06 118.70 120.51 2bkd s GLU 2 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 54.97 55.87 2bkd s GLU 2 Cb 0.00 -2.85 0.04 0.00 0.02 0.00 0.00 34.13 31.34 2bkd s GLU 2 CO 0.00 0.38 -0.10 -1.21 -1.84 0.00 0.00 175.26 172.49 2bkd s GLU 3 N -2.04 1.91 -0.29 -4.83 0.41 -1.26 -5.08 118.70 107.52 2bkd s GLU 3 Ca 0.44 -0.67 -0.00 0.00 -0.41 0.00 0.00 54.97 54.33 2bkd s GLU 3 Cb -0.16 -2.20 0.05 0.00 -1.78 0.00 0.00 34.13 30.04 2bkd s GLU 3 CO 0.21 -0.38 -0.03 -0.51 -0.49 0.00 0.00 175.26 174.06 2bkd s LEU 4 N 1.49 3.78 -0.15 1.80 2.01 -1.26 -5.07 118.68 121.28 2bkd s LEU 4 Ca 0.01 -1.33 -0.26 0.00 0.01 0.00 0.00 54.13 52.56 2bkd s LEU 4 Cb -0.15 -1.66 -0.01 0.00 0.01 0.00 0.00 46.19 44.37 2bkd s LEU 4 CO -0.09 -0.24 0.87 -0.69 1.01 0.00 0.00 176.35 177.21 2bkd s VAL 5 N 1.20 4.86 0.36 -1.59 1.01 -1.26 -1.34 120.40 123.64 2bkd s VAL 5 Ca -0.06 1.72 0.08 0.00 0.00 0.00 0.00 61.98 63.72 2bkd s VAL 5 Cb -0.20 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2bkd s VAL 5 CO -0.02 0.03 0.05 0.54 0.00 0.00 0.00 175.10 175.70 2bkd s VAL 6 N 2.07 2.52 0.01 2.92 0.11 -0.32 -4.40 120.40 123.31 2bkd s VAL 6 Ca 0.40 -1.91 0.04 0.00 -2.93 0.00 0.00 61.98 57.59 2bkd s VAL 6 Cb -0.17 -2.86 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2bkd s VAL 6 CO 0.14 -0.14 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.06 2bkd s GLU 7 N -3.76 2.43 0.16 1.54 2.02 -0.71 -0.76 118.70 119.62 2bkd s GLU 7 Ca 0.36 -0.79 0.08 0.00 0.02 0.00 0.00 54.97 54.64 2bkd s GLU 7 Cb 0.02 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2bkd s GLU 7 CO 0.20 0.59 -0.18 0.14 0.02 0.00 0.00 175.26 176.03 2bkd s VAL 8 N -0.98 1.76 -2.18 2.63 -7.23 -0.33 -0.26 120.40 113.81 2bkd s VAL 8 Ca 0.16 -1.88 0.25 0.00 -1.81 0.00 0.00 61.98 58.71 2bkd s VAL 8 Cb -0.11 -1.80 0.24 0.00 0.56 0.00 0.00 36.38 35.27 2bkd s VAL 8 CO 0.07 -0.31 1.43 -2.11 -0.31 0.00 0.00 175.10 173.86 2bkd n ARG 9 N 0.35 1.34 0.00 4.82 -4.01 -0.51 -1.23 116.66 117.43 2bkd n ARG 9 Ca -0.14 -0.95 0.00 0.00 -1.04 0.00 0.00 57.85 55.72 2bkd n ARG 9 Cb 0.57 -1.48 0.00 0.00 -3.04 0.00 0.00 32.46 28.51 2bkd n ARG 9 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2bkd n GLY 10 N 1.33 -1.93 2.66 2.89 0.00 -1.26 -3.96 105.19 104.92 2bkd n GLY 10 Ca 0.13 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2bkd n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bkd n SER 11 N 0.00 6.30 0.11 1.61 7.64 -1.26 -3.88 113.62 124.14 2bkd n SER 11 Ca 0.00 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.85 2bkd n SER 11 Cb 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 2bkd n SER 11 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2bkd n ASN 12 N 3.41 -1.59 0.00 6.43 2.85 -1.26 -5.04 115.26 120.06 2bkd n ASN 12 Ca 0.53 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 55.40 2bkd n ASN 12 Cb 0.31 1.69 0.00 0.00 1.24 0.00 0.00 39.78 43.02 2bkd n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bkd n GLY 13 N -0.66 3.73 4.00 8.20 0.00 -1.25 -5.09 105.19 114.11 2bkd n GLY 13 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 2bkd n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkd s ALA 14 N -0.01 4.10 -0.14 4.61 0.00 -1.26 -5.00 121.76 124.05 2bkd s ALA 14 Ca 0.00 -1.75 -0.23 0.00 0.00 0.00 0.00 51.96 49.98 2bkd s ALA 14 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 2bkd s ALA 14 CO 0.00 -1.03 0.73 -0.06 0.00 0.00 0.00 175.76 175.40 2bkd s PHE 15 N -2.85 3.46 -0.04 0.00 0.08 -1.26 -4.36 117.98 113.01 2bkd s PHE 15 Ca 0.62 1.17 0.06 0.00 0.12 0.00 0.00 56.93 58.89 2bkd s PHE 15 Cb -0.07 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 2bkd s PHE 15 CO 0.40 -0.10 -0.21 1.52 -0.10 0.00 0.00 175.22 176.73 2bkd s TYR 16 N 1.60 2.00 0.02 0.36 1.13 -0.36 -4.91 117.35 117.19 2bkd s TYR 16 Ca 0.35 -0.51 -0.30 0.00 -1.41 0.00 0.00 57.07 55.21 2bkd s TYR 16 Cb -0.17 -1.31 -0.04 0.00 -1.10 0.00 0.00 41.96 39.34 2bkd s TYR 16 CO 0.14 -0.13 1.08 0.15 -2.51 0.00 0.00 175.55 174.28 2bkd s LYS 17 N -0.23 4.49 0.00 -3.49 1.02 -1.26 -1.19 119.74 119.08 2bkd s LYS 17 Ca 0.01 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.57 2bkd s LYS 17 Cb -0.11 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2bkd s LYS 17 CO 0.01 -0.17 -0.00 0.00 -0.92 0.00 0.00 175.35 174.28 2bkd s ALA 18 N 1.14 0.01 -0.17 5.17 0.00 0.06 -4.83 121.76 123.15 2bkd s ALA 18 Ca 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 2bkd s ALA 18 Cb -0.24 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2bkd s ALA 18 CO 0.28 -0.01 -0.09 -0.06 0.00 0.00 0.00 175.76 175.88 2bkd s PHE 19 N -0.06 2.88 0.07 0.00 0.08 -0.53 -1.17 117.98 119.25 2bkd s PHE 19 Ca -0.01 -0.77 -0.31 0.00 0.12 0.00 0.00 56.93 55.97 2bkd s PHE 19 Cb -0.00 -1.95 -0.09 0.00 -0.57 0.00 0.00 43.02 40.40 2bkd s PHE 19 CO -0.00 -0.35 1.77 0.08 -0.10 0.00 0.00 175.22 176.63 2bkd s VAL 20 N 0.80 2.88 -0.22 -0.44 1.01 -0.45 -0.86 120.40 123.13 2bkd s VAL 20 Ca -0.03 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.25 2bkd s VAL 20 Cb -0.15 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.90 2bkd s VAL 20 CO 0.01 -0.01 -0.15 1.17 0.00 0.00 0.00 175.10 176.13 2bkd n LYS 21 N 6.07 0.68 -3.74 2.72 3.00 0.67 -4.55 118.16 123.01 2bkd n LYS 21 Ca 0.17 0.10 -0.14 0.00 -0.00 0.00 0.00 58.31 58.45 2bkd n LYS 21 Cb 0.40 -1.46 -0.09 0.00 0.00 0.00 0.00 35.03 33.88 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2bkd s ASP 22 N -6.02 -0.29 0.05 3.14 2.15 -0.69 -4.97 116.67 110.05 2bkd s ASP 22 Ca -0.26 0.32 0.08 0.00 0.43 0.00 0.00 52.55 53.12 2bkd s ASP 22 Cb 0.07 0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 43.12 2bkd s ASP 22 CO 0.57 -0.38 -0.22 0.68 -0.17 0.00 0.00 175.17 175.65 2bkd s VAL 23 N -0.91 1.80 -0.15 1.11 -7.23 -1.26 -1.20 120.40 112.57 2bkd s VAL 23 Ca -0.10 -1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 58.70 2bkd s VAL 23 Cb -0.04 -1.56 -0.24 0.00 0.56 0.00 0.00 36.38 35.10 2bkd s VAL 23 CO 0.04 0.22 0.28 -0.62 -0.31 0.00 0.00 175.10 174.71 2bkd n GLU 25 N 1.75 0.71 -0.09 4.82 -0.58 -1.26 -5.03 120.64 120.96 2bkd n GLU 25 Ca -0.17 0.32 -0.16 0.00 -0.42 0.00 0.00 57.16 56.72 2bkd n GLU 25 Cb 0.53 -1.70 -0.09 0.00 -0.57 0.00 0.00 31.44 29.62 2bkd n GLU 25 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2bkd h ASP 26 N -0.17 0.00 -2.99 1.62 1.82 -2.04 -3.50 116.42 111.17 2bkd h ASP 26 Ca -0.43 -0.38 -0.49 0.00 -0.39 0.00 0.00 57.03 55.35 2bkd h ASP 26 Cb 1.87 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.75 2bkd h ASP 26 CO 0.01 1.24 -0.68 -0.44 -1.61 0.00 0.00 179.24 177.76 2bkd s SER 27 N -6.48 2.71 -0.06 2.28 0.01 -1.26 -4.29 113.70 106.61 2bkd s SER 27 Ca -0.24 -1.18 0.05 0.00 1.31 0.00 0.00 55.95 55.89 2bkd s SER 27 Cb 0.04 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 2bkd s SER 27 CO 0.48 -0.34 -0.21 -0.51 0.41 0.00 0.00 173.24 173.06 2bkd s ILE 28 N -3.03 2.37 -0.20 1.44 2.07 0.26 -4.62 121.20 119.50 2bkd s ILE 28 Ca 0.29 -0.95 -0.04 0.00 -1.41 0.00 0.00 60.65 58.54 2bkd s ILE 28 Cb 0.04 -1.89 -0.02 0.00 0.13 0.00 0.00 42.46 40.71 2bkd s ILE 28 CO 0.11 0.57 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.79 2bkd s THR 29 N -0.21 3.62 0.02 4.00 2.01 -0.34 -1.57 115.64 123.17 2bkd s THR 29 Ca -0.01 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2bkd s THR 29 Cb -0.13 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 2bkd s THR 29 CO 0.03 0.44 -0.01 0.68 -0.69 0.00 0.00 174.62 175.07 2bkd s VAL 30 N 1.12 0.11 0.02 3.82 -7.23 -0.48 -0.24 120.40 117.51 2bkd s VAL 30 Ca 0.02 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.26 2bkd s VAL 30 Cb -0.15 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.50 2bkd s VAL 30 CO 0.00 -0.48 0.10 0.00 -0.31 0.00 0.00 175.10 174.41 2bkd s ALA 31 N -1.44 -0.19 0.11 1.32 0.00 -0.04 -0.85 121.76 120.67 2bkd s ALA 31 Ca -0.16 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2bkd s ALA 31 Cb -0.10 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2bkd s ALA 31 CO -0.01 -0.23 0.19 -0.06 0.00 0.00 0.00 175.76 175.65 2bkd s PHE 32 N -1.73 3.37 0.74 0.00 0.08 -0.23 -1.45 117.98 118.76 2bkd s PHE 32 Ca -0.12 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 2bkd s PHE 32 Cb -0.06 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.78 2bkd s PHE 32 CO -0.00 0.54 1.11 -2.00 -0.10 0.00 0.00 175.22 174.77 2bkd s GLU 33 N -2.82 2.33 0.00 0.44 2.56 -1.26 -4.73 118.70 115.22 2bkd s GLU 33 Ca 0.33 1.33 0.10 0.00 0.00 0.00 0.00 54.97 56.73 2bkd s GLU 33 Cb -0.12 -1.89 0.61 0.00 2.00 0.00 0.00 34.13 34.73 2bkd s GLU 33 CO 0.26 -1.61 1.07 0.27 -0.56 0.00 0.00 175.26 174.69 2bkd n ASN 34 N -3.12 0.00 0.30 -1.70 0.23 -1.26 -2.06 115.26 107.65 2bkd n ASN 34 Ca 0.10 -0.76 0.18 0.00 -0.53 0.00 0.00 54.58 53.58 2bkd n ASN 34 Cb 0.52 0.00 1.00 0.00 -2.08 0.00 0.00 39.78 39.22 2bkd n ASN 34 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2bkd h ASN 35 N 0.00 0.00 0.00 0.53 -1.24 -2.04 -3.42 115.58 109.41 2bkd h ASN 35 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2bkd h ASN 35 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2bkd h ASN 35 CO 0.00 0.00 0.00 -2.67 -1.29 0.00 0.00 177.43 173.47 2bkd n TRP 36 N -3.45 -0.07 -4.60 0.67 4.27 -0.87 -5.19 117.44 108.20 2bkd n TRP 36 Ca -0.02 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.32 2bkd n TRP 36 Cb 0.17 0.07 -0.11 0.00 -1.36 0.00 0.00 31.31 30.08 2bkd n TRP 36 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2bkd s GLN 37 N -0.14 1.92 0.00 -2.67 -0.21 -1.22 -5.07 119.66 112.27 2bkd s GLN 37 Ca 0.00 -2.09 0.00 0.00 0.02 0.00 0.00 55.36 53.29 2bkd s GLN 37 Cb 0.00 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.49 2bkd s GLN 37 CO 0.00 -0.08 0.00 -0.35 -2.12 0.00 0.00 175.29 172.74 2bkd n PRO 38 N -0.94 0.00 -4.32 2.91 -0.04 -1.26 -4.25 135.00 127.11 2bkd n PRO 38 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.23 2bkd n PRO 38 Cb 0.67 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.03 2bkd n PRO 38 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2bkd s ASP 39 N -1.01 2.39 0.11 3.54 -4.77 -1.26 -1.06 116.67 114.59 2bkd s ASP 39 Ca 0.00 -0.99 -0.06 0.00 -3.30 0.00 0.00 52.55 48.19 2bkd s ASP 39 Cb 0.00 -0.11 -0.01 0.00 -1.09 0.00 0.00 42.92 41.71 2bkd s ASP 39 CO 0.00 -0.19 0.16 -0.60 0.70 0.00 0.00 175.17 175.24 2bkd s ARG 40 N -3.54 0.89 -0.13 2.11 3.52 -0.03 -4.99 118.95 116.78 2bkd s ARG 40 Ca 0.20 -1.11 0.02 0.00 -0.13 0.00 0.00 55.73 54.71 2bkd s ARG 40 Cb -0.01 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.71 2bkd s ARG 40 CO 0.05 -0.28 -0.19 -0.65 -0.81 0.00 0.00 175.30 173.42 2bkd s GLN 41 N -3.92 2.71 0.06 5.12 -0.21 -1.26 -1.38 119.66 120.78 2bkd s GLN 41 Ca 0.10 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.81 2bkd s GLN 41 Cb 0.05 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 2bkd s GLN 41 CO -0.07 -0.03 -0.19 0.96 -2.12 0.00 0.00 175.29 173.84 2bkd s ILE 42 N 0.88 1.54 0.97 1.08 -4.36 -0.61 -4.98 121.20 115.72 2bkd s ILE 42 Ca -0.07 -1.26 -0.12 0.00 -0.26 0.00 0.00 60.65 58.94 2bkd s ILE 42 Cb -0.15 -1.37 0.17 0.00 1.25 0.00 0.00 42.46 42.36 2bkd s ILE 42 CO -0.02 0.07 1.08 -2.16 0.24 0.00 0.00 174.94 174.15 2bkd s PRO 43 N -1.41 0.64 0.00 0.37 0.04 -1.26 -0.57 135.00 132.81 2bkd s PRO 43 Ca 0.05 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 61.99 2bkd s PRO 43 Cb -0.09 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 2bkd s PRO 43 CO 0.02 -2.69 1.34 1.19 0.04 0.00 0.00 177.00 176.90 2bkd n PHE 44 N -4.20 0.00 0.00 0.56 3.72 -1.26 -3.86 117.46 112.41 2bkd n PHE 44 Ca 0.07 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2bkd n PHE 44 Cb 0.55 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 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 2.75 0.00 -4.72 4.37 9.92 -1.26 -4.61 116.55 123.00 2bkd n ASP 46 Ca 0.11 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.05 2bkd n ASP 46 Cb 0.26 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.66 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 4.37 -0.08 2.53 1.01 -1.25 -1.43 120.40 125.56 2bkd s VAL 47 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2bkd s VAL 47 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2bkd s VAL 47 CO 0.00 0.35 -0.07 -0.60 0.00 0.00 0.00 175.10 174.78 2bkd s ARG 48 N -1.67 1.25 -0.22 2.72 3.52 0.64 -4.66 118.95 120.52 2bkd s ARG 48 Ca 0.21 -0.20 -0.17 0.00 -0.13 0.00 0.00 55.73 55.45 2bkd s ARG 48 Cb -0.12 -1.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.98 2bkd s ARG 48 CO 0.12 -0.16 0.45 -0.06 -0.81 0.00 0.00 175.30 174.84 2bkd s PHE 49 N 1.30 3.33 -0.82 5.12 0.40 0.11 -1.74 117.98 125.68 2bkd s PHE 49 Ca -0.04 0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2bkd s PHE 49 Cb -0.14 -2.61 0.21 0.00 0.51 0.00 0.00 43.02 40.99 2bkd s PHE 49 CO -0.03 -0.12 0.71 -1.25 0.70 0.00 0.00 175.22 175.23 2bkd s PRO 50 N 1.72 3.21 0.28 0.24 0.04 -1.26 -4.80 135.00 134.43 2bkd s PRO 50 Ca 0.20 -2.91 -0.29 0.00 0.04 0.00 0.00 61.00 58.04 2bkd s PRO 50 Cb -0.15 -4.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.27 2bkd s PRO 50 CO 0.09 -1.24 1.03 -1.25 0.04 0.00 0.00 177.00 175.67 2bkd s PRO 51 N -0.70 4.66 0.00 0.56 0.04 -1.26 -4.94 135.00 133.37 2bkd s PRO 51 Ca 0.23 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 2bkd s PRO 51 Cb -0.12 -3.13 -0.12 0.00 0.04 0.00 0.00 34.50 31.17 2bkd s PRO 51 CO -0.08 0.29 1.90 -2.30 0.04 0.00 0.00 177.00 176.84 2bkd n PRO 52 N 1.12 0.91 0.22 0.56 -0.02 -1.26 -4.59 135.00 131.93 2bkd n PRO 52 Ca -0.01 -0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 60.94 2bkd n PRO 52 Cb 0.46 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 2bkd n PRO 52 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2bkd h VAL 53 N 2.47 0.00 0.00 -1.45 2.07 -2.03 -3.42 116.25 113.89 2bkd h VAL 53 Ca 0.08 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2bkd h VAL 53 Cb 0.69 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2bkd h VAL 53 CO 0.35 0.00 -0.50 0.61 0.02 0.00 0.00 177.57 178.06 2bkd n GLY 54 N 0.18 -0.57 7.00 2.17 0.00 -1.26 -5.04 105.19 107.66 2bkd n GLY 54 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2bkd n GLY 54 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2bkd n TYR 55 N -3.59 0.00 0.03 1.61 4.19 -1.26 -3.93 117.16 114.22 2bkd n TYR 55 Ca -0.07 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.12 2bkd n TYR 55 Cb 0.26 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.08 2bkd n TYR 55 CO 0.00 0.00 0.00 -0.97 0.91 0.00 0.00 176.86 176.80 2bkd h ASN 56 N 0.00 -0.12 0.00 2.98 -0.73 -1.93 -3.40 115.58 112.37 2bkd h ASN 56 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2bkd h ASN 56 Cb 0.00 0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2bkd h ASN 56 CO 0.00 0.13 0.00 1.17 -0.37 0.00 0.00 177.43 178.36 2bkd n LYS 57 N -3.59 0.00 -3.67 6.67 4.81 -1.25 -4.34 118.16 116.79 2bkd n LYS 57 Ca -0.02 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.04 2bkd n LYS 57 Cb 0.06 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.99 2bkd n LYS 57 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bkd s ASP 58 N -4.00 5.50 0.00 3.14 2.15 -1.26 -5.04 116.67 117.16 2bkd s ASP 58 Ca 0.00 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.36 2bkd s ASP 58 Cb 0.00 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2bkd s ASP 58 CO 0.00 -0.22 0.00 0.00 -0.17 0.00 0.00 175.17 174.78 2bkd n ILE 59 N 4.96 0.00 0.00 4.11 0.13 -1.26 -4.92 119.36 122.38 2bkd n ILE 59 Ca -0.14 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.51 2bkd n ILE 59 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.28 2bkd n ILE 59 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2bkd n ASN 60 N 0.00 0.00 -0.37 9.51 3.02 -1.26 -4.52 115.26 121.64 2bkd n ASN 60 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 2bkd n ASN 60 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bkd n GLU 61 N 13.78 -0.16 0.05 3.52 1.02 -1.26 -2.82 120.64 134.78 2bkd n GLU 61 Ca 0.00 1.54 -0.13 0.00 -0.02 0.00 0.00 57.16 58.55 2bkd n GLU 61 Cb 0.00 -2.29 -0.03 0.00 -0.02 0.00 0.00 31.44 29.10 2bkd n GLU 61 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2bkd h SER 62 N 0.00 0.58 -4.70 1.62 4.64 -1.96 -3.49 113.55 110.23 2bkd h SER 62 Ca 0.42 -0.43 -0.55 0.00 -0.47 0.00 0.00 61.79 60.76 2bkd h SER 62 Cb 0.66 -0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 62.47 2bkd h SER 62 CO -1.01 1.21 -0.41 0.47 -0.87 0.00 0.00 176.83 176.22 2bkd n ASP 63 N -3.80 2.87 -4.92 4.97 8.00 -1.13 -5.07 116.55 117.48 2bkd n ASP 63 Ca -0.06 -2.90 -0.26 0.00 0.71 0.00 0.00 54.79 52.28 2bkd n ASP 63 Cb 0.79 0.40 0.03 0.00 -0.02 0.00 0.00 41.12 42.32 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bkd s GLU 64 N -3.53 2.83 0.32 -1.24 2.02 -1.26 -4.18 118.70 113.65 2bkd s GLU 64 Ca 0.03 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.95 2bkd s GLU 64 Cb 0.00 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 31.88 2bkd s GLU 64 CO 0.02 -0.73 0.06 0.14 0.02 0.00 0.00 175.26 174.78 2bkd s VAL 65 N -2.98 1.11 -0.10 2.63 -7.23 -0.35 -4.56 120.40 108.93 2bkd s VAL 65 Ca 0.54 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2bkd s VAL 65 Cb -0.10 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 2bkd s VAL 65 CO 0.44 -0.00 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.57 2bkd s GLU 66 N -3.91 3.09 -0.19 4.82 2.02 -0.62 -1.34 118.70 122.58 2bkd s GLU 66 Ca 0.37 -0.52 -0.07 0.00 0.02 0.00 0.00 54.97 54.77 2bkd s GLU 66 Cb 0.09 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 2bkd s GLU 66 CO 0.15 0.53 0.05 0.08 0.02 0.00 0.00 175.26 176.09 2bkd s VAL 67 N -0.42 4.59 0.22 2.63 1.01 0.11 -0.12 120.40 128.42 2bkd s VAL 67 Ca 0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2bkd s VAL 67 Cb -0.12 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 2bkd s VAL 67 CO 0.02 0.45 1.09 -0.47 0.00 0.00 0.00 175.10 176.19 2bkd s TYR 68 N 0.51 3.62 -0.20 5.22 6.14 -1.01 -1.63 117.35 130.00 2bkd s TYR 68 Ca 0.02 1.66 -0.00 0.00 0.64 0.00 0.00 57.07 59.39 2bkd s TYR 68 Cb -0.13 -3.25 0.02 0.00 0.42 0.00 0.00 41.96 39.01 2bkd s TYR 68 CO 0.01 -0.49 -0.14 0.45 0.64 0.00 0.00 175.55 176.02 2bkd s SER 69 N -0.47 3.63 -0.55 4.32 0.15 -1.26 -4.82 113.70 114.71 2bkd s SER 69 Ca 0.47 -0.66 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 2bkd s SER 69 Cb -0.30 -1.57 0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2bkd s SER 69 CO 0.37 -0.03 0.99 0.00 1.20 0.00 0.00 173.24 175.76 2bkd s ARG 70 N 1.33 3.38 0.41 5.44 1.70 -1.26 -4.54 118.95 125.41 2bkd s ARG 70 Ca 0.04 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 2bkd s ARG 70 Cb -0.14 -4.04 0.00 0.00 -0.57 0.00 0.00 34.95 30.20 2bkd s ARG 70 CO -0.09 -1.50 0.00 0.00 -1.08 0.00 0.00 175.30 172.63 2bkd n ALA 71 N 7.62 0.00 -3.43 7.88 0.00 -1.26 -3.30 120.51 128.02 2bkd n ALA 71 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2bkd n ALA 71 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 2bkd n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bkd s ASN 72 N -4.00 2.07 0.00 0.00 4.22 -1.26 -4.83 114.94 111.14 2bkd s ASN 72 Ca 0.00 -1.06 0.00 0.00 -2.14 0.00 0.00 52.86 49.66 2bkd s ASN 72 Cb 0.00 0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.82 2bkd s ASN 72 CO 0.00 -0.38 0.00 -0.62 -2.04 0.00 0.00 177.10 174.06 2bkd n GLU 73 N 5.09 0.00 0.00 3.55 1.02 -1.21 -4.72 120.64 124.37 2bkd n GLU 73 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2bkd n GLU 73 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 0.00 3.49 4.81 -1.26 -4.47 118.16 120.73 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 -1.91 1.17 0.00 0.00 177.40 176.66 2bkd n GLU 75 N 0.00 0.00 -2.28 1.64 2.13 -1.26 -5.08 120.64 115.79 2bkd n GLU 75 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2bkd n GLU 75 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 2bkd n GLU 75 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2bkd s PRO 76 N 0.00 3.63 -1.05 5.31 0.04 -1.26 -4.97 135.00 136.70 2bkd s PRO 76 Ca 0.00 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 2bkd s PRO 76 Cb 0.00 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.62 2bkd s PRO 76 CO 0.00 -0.55 1.24 0.00 0.04 0.00 0.00 177.00 177.73 2bkd n TRP 79 N 0.00 -1.18 0.00 0.00 5.03 -1.26 -4.98 117.44 115.05 2bkd n TRP 79 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2bkd n TRP 79 Cb 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 31.31 30.48 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 -0.03 0.00 0.00 177.69 178.57 2bkd n TRP 80 N -0.52 0.00 -2.62 -5.99 7.02 -0.65 -4.62 117.44 110.06 2bkd n TRP 80 Ca 0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.07 2bkd n TRP 80 Cb 0.00 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.85 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 4.50 0.03 -0.99 2.34 -1.26 0.09 118.68 123.39 2bkd s LEU 81 Ca 0.00 1.95 -0.04 0.00 0.06 0.00 0.00 54.13 56.10 2bkd s LEU 81 Cb 0.00 -3.60 -0.02 0.00 -0.56 0.00 0.00 46.19 42.02 2bkd s LEU 81 CO 0.00 -0.13 0.05 0.00 -1.06 0.00 0.00 176.35 175.21 2bkd s ALA 82 N -0.16 0.03 -0.21 1.48 0.00 -0.45 -3.63 121.76 118.83 2bkd s ALA 82 Ca 0.48 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 2bkd s ALA 82 Cb -0.26 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2bkd s ALA 82 CO 0.32 -0.28 0.07 0.15 0.00 0.00 0.00 175.76 176.02 2bkd s LYS 83 N -2.44 3.88 -0.15 0.00 3.01 -0.56 -1.21 119.74 122.28 2bkd s LYS 83 Ca -0.07 -0.38 -0.07 0.00 -1.01 0.00 0.00 55.97 54.44 2bkd s LYS 83 Cb -0.02 -3.28 -0.04 0.00 -1.01 0.00 0.00 37.83 33.48 2bkd s LYS 83 CO -0.04 0.11 0.11 0.08 0.51 0.00 0.00 175.35 176.12 2bkd s VAL 84 N 0.82 5.25 -0.20 3.17 1.01 -1.26 -0.82 120.40 128.37 2bkd s VAL 84 Ca 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 2bkd s VAL 84 Cb -0.13 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 2bkd s VAL 84 CO 0.02 0.54 -0.20 -1.14 0.00 0.00 0.00 175.10 174.33 2bkd n ARG 85 N 2.68 0.46 -3.93 2.72 0.00 -1.16 -4.92 116.66 112.51 2bkd n ARG 85 Ca -0.18 0.14 -0.10 0.00 -0.00 0.00 0.00 57.85 57.71 2bkd n ARG 85 Cb 0.54 -1.33 -0.10 0.00 0.00 0.00 0.00 32.46 31.57 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bkd s MET 86 N -2.38 0.46 -0.12 -0.14 0.23 -1.26 -5.04 119.30 111.05 2bkd s MET 86 Ca -0.27 -0.58 0.03 0.00 -1.03 0.00 0.00 55.69 53.84 2bkd s MET 86 Cb 0.08 0.18 0.00 0.00 -1.53 0.00 0.00 34.83 33.56 2bkd s MET 86 CO 0.41 -0.10 -0.22 0.42 -2.03 0.00 0.00 175.02 173.50 2bkd s ILE 87 N -1.79 2.15 -0.62 3.16 1.09 -1.26 -1.69 121.20 122.23 2bkd s ILE 87 Ca -0.12 -0.97 -0.00 0.00 -1.10 0.00 0.00 60.65 58.46 2bkd s ILE 87 Cb -0.06 -1.84 0.16 0.00 -1.06 0.00 0.00 42.46 39.65 2bkd s ILE 87 CO -0.01 0.55 0.42 -0.54 -0.10 0.00 0.00 174.94 175.26 2bkd s LYS 88 N 0.52 2.44 2.44 2.79 1.02 0.97 -4.99 119.74 124.94 2bkd s LYS 88 Ca -0.14 -2.69 0.00 0.00 0.02 0.00 0.00 55.97 53.16 2bkd s LYS 88 Cb -0.17 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2bkd s LYS 88 CO 0.05 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 173.72 2bkd n GLY 89 N 3.14 0.41 0.59 -3.33 0.00 -1.26 -1.44 105.19 103.31 2bkd n GLY 89 Ca 0.09 0.62 0.08 0.00 0.00 0.00 0.00 46.02 46.81 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 1.45 -4.30 1.61 1.02 -1.26 -4.93 120.64 114.23 2bkd n GLU 90 Ca 0.00 -1.32 -0.34 0.00 -0.02 0.00 0.00 57.16 55.48 2bkd n GLU 90 Cb 0.00 -1.31 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2bkd s PHE 91 N -1.54 3.12 -0.04 -0.32 0.40 -0.52 -1.36 117.98 117.71 2bkd s PHE 91 Ca 0.18 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2bkd s PHE 91 Cb 0.14 -1.93 0.01 0.00 0.51 0.00 0.00 43.02 41.75 2bkd s PHE 91 CO 0.26 0.17 -0.10 0.71 0.70 0.00 0.00 175.22 176.96 2bkd s TYR 92 N -0.03 1.16 -0.13 0.36 1.51 -0.49 -0.02 117.35 119.71 2bkd s TYR 92 Ca 0.03 -0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 55.58 2bkd s TYR 92 Cb -0.13 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 2bkd s TYR 92 CO 0.02 -0.18 0.39 0.14 -1.11 0.00 0.00 175.55 174.81 2bkd s VAL 93 N 0.45 5.23 -0.03 0.71 -7.23 -0.68 -1.62 120.40 117.22 2bkd s VAL 93 Ca -0.08 0.77 0.06 0.00 -1.81 0.00 0.00 61.98 60.91 2bkd s VAL 93 Cb -0.12 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 2bkd s VAL 93 CO 0.02 0.38 -0.22 0.27 -0.31 0.00 0.00 175.10 175.23 2bkd s ILE 94 N 0.39 1.79 -0.21 -0.62 -0.00 -0.29 -2.97 121.20 119.30 2bkd s ILE 94 Ca 0.22 -0.95 -0.09 0.00 -0.00 0.00 0.00 60.65 59.82 2bkd s ILE 94 Cb -0.14 -1.51 -0.05 0.00 -0.00 0.00 0.00 42.46 40.76 2bkd s ILE 94 CO 0.08 0.51 0.12 -0.70 -0.00 0.00 0.00 174.94 174.94 2bkd s GLU 95 N -0.31 4.10 0.05 0.37 2.12 -0.00 -1.44 118.70 123.59 2bkd s GLU 95 Ca 0.03 -0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.05 2bkd s GLU 95 Cb -0.11 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 2bkd s GLU 95 CO 0.01 0.23 0.27 0.71 -0.54 0.00 0.00 175.26 175.94 2bkd s TYR 96 N 0.55 3.53 -0.12 5.30 2.02 -1.17 -1.50 117.35 125.96 2bkd s TYR 96 Ca 0.07 0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 57.05 2bkd s TYR 96 Cb -0.12 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2bkd s TYR 96 CO 0.00 0.57 0.45 0.00 -1.57 0.00 0.00 175.55 175.00 2bkd s ALA 97 N -1.44 3.50 -0.99 3.71 0.00 -1.24 -4.66 121.76 120.64 2bkd s ALA 97 Ca 0.33 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.98 2bkd s ALA 97 Cb -0.13 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2bkd s ALA 97 CO 0.21 0.03 0.83 0.00 0.00 0.00 0.00 175.76 176.83 2bkd n ALA 98 N 3.59 -2.52 -2.69 0.00 0.00 -1.26 -4.77 120.51 112.87 2bkd n ALA 98 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2bkd n ALA 98 Cb 0.52 -4.21 -0.07 0.00 0.00 0.00 0.00 19.45 15.69 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 -2.76 5.80 0.00 0.00 -4.77 -1.26 -4.86 116.67 108.82 2bkd s ASP 100 Ca 0.03 0.70 0.00 0.00 -3.30 0.00 0.00 52.55 49.98 2bkd s ASP 100 Cb 0.04 -1.81 0.00 0.00 -1.09 0.00 0.00 42.92 40.05 2bkd s ASP 100 CO -0.10 -0.88 0.00 0.00 0.70 0.00 0.00 175.17 174.88 2bkd n ALA 101 N -2.42 0.00 -2.62 2.11 0.00 -1.26 -4.77 120.51 111.55 2bkd n ALA 101 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2bkd n ALA 101 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 2bkd n ALA 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bkd s THR 102 N 0.00 4.83 -0.10 0.00 2.01 -1.26 -4.94 115.64 116.18 2bkd s THR 102 Ca 0.00 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.16 2bkd s THR 102 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2bkd s THR 102 CO 0.00 -0.17 -0.21 -1.22 -0.69 0.00 0.00 174.62 172.33 2bkd n TYR 103 N 6.09 0.00 -3.01 4.92 4.02 -1.26 -4.87 117.16 123.04 2bkd n TYR 103 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 2bkd n TYR 103 Cb 0.48 -0.30 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 2bkd n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2bkd s ASN 104 N -5.25 6.51 0.02 7.72 0.01 -1.26 -3.05 114.94 119.64 2bkd s ASN 104 Ca -0.17 0.27 0.08 0.00 -0.71 0.00 0.00 52.86 52.33 2bkd s ASN 104 Cb 0.02 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 2bkd s ASN 104 CO 0.26 -0.69 -0.24 -1.61 -1.51 0.00 0.00 177.10 173.30 2bkd s GLU 105 N 2.97 1.77 -0.08 -0.60 0.41 -0.52 -4.97 118.70 117.68 2bkd s GLU 105 Ca 0.29 -0.98 -0.16 0.00 -0.41 0.00 0.00 54.97 53.71 2bkd s GLU 105 Cb -0.14 -1.84 -0.05 0.00 -1.78 0.00 0.00 34.13 30.32 2bkd s GLU 105 CO 0.16 0.49 0.41 -1.50 -0.49 0.00 0.00 175.26 174.33 2bkd s ILE 106 N -0.72 5.15 0.22 -1.63 2.07 -1.26 -1.14 121.20 123.89 2bkd s ILE 106 Ca 0.10 0.83 0.00 0.00 -1.41 0.00 0.00 60.65 60.17 2bkd s ILE 106 Cb -0.09 -3.74 -0.05 0.00 0.13 0.00 0.00 42.46 38.71 2bkd s ILE 106 CO 0.01 0.44 0.09 0.68 -1.91 0.00 0.00 174.94 174.25 2bkd s VAL 107 N -0.11 0.37 0.22 4.00 -7.23 -0.64 -5.01 120.40 112.00 2bkd s VAL 107 Ca 0.23 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2bkd s VAL 107 Cb -0.15 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2bkd s VAL 107 CO 0.10 -0.11 0.22 0.28 -0.31 0.00 0.00 175.10 175.28 2bkd s THR 108 N -3.88 4.70 0.57 5.32 -1.32 -1.26 -1.39 115.64 118.38 2bkd s THR 108 Ca 0.35 -1.18 0.40 0.00 -1.21 0.00 0.00 61.69 60.06 2bkd s THR 108 Cb 0.07 -3.50 0.59 0.00 -1.51 0.00 0.00 72.50 68.16 2bkd s THR 108 CO 0.11 -0.26 1.53 -0.29 -2.21 0.00 0.00 174.62 173.49 2bkd h ILE 109 N 1.57 0.07 -0.78 5.08 6.09 -1.61 -3.26 117.51 124.66 2bkd h ILE 109 Ca -0.49 0.00 0.15 0.00 -1.37 0.00 0.00 64.86 63.15 2bkd h ILE 109 Cb 1.22 0.08 -0.15 0.00 0.47 0.00 0.00 36.82 38.45 2bkd h ILE 109 CO 0.62 0.00 -0.24 -0.08 -3.07 0.00 0.00 178.15 175.38 2bkd h GLU 110 N 0.00 -0.03 -0.79 2.19 4.81 -1.96 -2.24 114.58 116.56 2bkd h GLU 110 Ca 0.72 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 59.39 2bkd h GLU 110 Cb 3.22 0.01 -0.36 0.00 0.63 0.00 0.00 28.75 32.25 2bkd h GLU 110 CO -0.01 -0.02 -0.21 0.54 -0.73 0.00 0.00 179.01 178.58 2bkd n ARG 111 N -5.50 3.16 -4.38 1.92 1.74 -1.23 -4.94 116.66 107.42 2bkd n ARG 111 Ca 0.10 -3.80 -0.27 0.00 -0.77 0.00 0.00 57.85 53.11 2bkd n ARG 111 Cb 0.40 -2.24 -0.12 0.00 -1.02 0.00 0.00 32.46 29.47 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 -3.64 2.37 0.05 0.55 1.43 -0.84 -2.40 118.68 116.19 2bkd s LEU 112 Ca 0.55 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2bkd s LEU 112 Cb 0.44 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.51 2bkd s LEU 112 CO 0.02 0.12 -0.15 -0.60 0.23 0.00 0.00 176.35 175.98 2bkd s ARG 113 N -2.33 0.95 0.24 1.70 3.52 0.84 -4.91 118.95 118.95 2bkd s ARG 113 Ca 0.16 -0.81 -0.26 0.00 -0.13 0.00 0.00 55.73 54.68 2bkd s ARG 113 Cb -0.09 -0.97 -0.09 0.00 -1.56 0.00 0.00 34.95 32.25 2bkd s ARG 113 CO 0.07 0.24 0.86 0.45 -0.81 0.00 0.00 175.30 176.11 2bkd s SER 114 N -1.26 7.41 -0.04 -2.12 0.15 -1.26 -1.58 113.70 114.99 2bkd s SER 114 Ca 0.01 1.76 -0.27 0.00 0.70 0.00 0.00 55.95 58.15 2bkd s SER 114 Cb -0.08 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2bkd s SER 114 CO 0.02 0.10 0.88 0.54 1.20 0.00 0.00 173.24 175.98 2bkd s VAL 115 N -1.32 4.92 -0.38 4.45 0.11 -1.26 -4.80 120.40 122.12 2bkd s VAL 115 Ca 0.42 1.82 -0.13 0.00 -2.93 0.00 0.00 61.98 61.16 2bkd s VAL 115 Cb -0.22 -4.21 0.01 0.00 -1.53 0.00 0.00 36.38 30.43 2bkd s VAL 115 CO 0.27 0.17 0.25 0.21 -3.33 0.00 0.00 175.10 172.67 2bkd s ASN 116 N 0.95 5.94 -1.21 3.54 2.47 -1.26 -4.89 114.94 120.48 2bkd s ASN 116 Ca 0.46 -0.82 -0.08 0.00 0.42 0.00 0.00 52.86 52.83 2bkd s ASN 116 Cb -0.19 -2.10 -0.09 0.00 -1.45 0.00 0.00 41.25 37.41 2bkd s ASN 116 CO 0.23 -0.37 3.02 -0.81 -3.72 0.00 0.00 177.10 175.44 2bkd n PRO 117 N 5.09 3.42 -1.75 0.43 -0.04 -1.26 -4.94 135.00 135.95 2bkd n PRO 117 Ca -0.12 -2.13 -0.35 0.00 -0.04 0.00 0.00 63.50 60.87 2bkd n PRO 117 Cb 0.47 -2.59 0.06 0.00 -0.04 0.00 0.00 33.50 31.40 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 1.83 4.81 0.66 3.54 4.22 -1.26 -5.04 114.94 123.69 2bkd s ASN 118 Ca 0.67 2.30 -0.14 0.00 -2.14 0.00 0.00 52.86 53.54 2bkd s ASN 118 Cb 0.22 -2.59 -0.00 0.00 1.28 0.00 0.00 41.25 40.16 2bkd s ASN 118 CO -0.06 -1.84 1.09 -0.54 -2.04 0.00 0.00 177.10 173.71 2bkd s LYS 119 N -3.69 2.86 -0.03 3.55 3.01 -1.26 -5.00 119.74 119.18 2bkd s LYS 119 Ca 0.74 1.30 -0.19 0.00 -1.01 0.00 0.00 55.97 56.82 2bkd s LYS 119 Cb -0.28 -1.96 -0.12 0.00 -1.01 0.00 0.00 37.83 34.46 2bkd s LYS 119 CO 0.39 -1.19 0.79 -1.00 0.51 0.00 0.00 175.35 174.85 2bkd h PRO 120 N -0.05 -0.44 0.00 -1.68 0.13 -1.96 -3.41 132.00 124.60 2bkd h PRO 120 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2bkd h PRO 120 Cb 1.24 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2bkd h PRO 120 CO 0.55 -0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.15 2bkd n ALA 121 N -2.66 0.00 -0.74 -0.56 0.00 -1.26 0.10 120.51 115.39 2bkd n ALA 121 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bkd n ALA 121 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 0.15 0.00 -2.24 -1.26 -1.58 114.28 109.35 2bkd n THR 122 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2bkd n THR 122 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.18 -0.78 1.63 -2.01 0.36 116.57 115.60 2bkd h LYS 123 Ca 0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 2bkd h LYS 123 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2bkd h LYS 123 CO 0.00 0.44 -0.69 -0.44 -3.45 0.00 0.00 179.45 175.32 2bkd h ASP 124 N 0.00 0.82 0.46 4.20 3.32 -1.97 -3.26 116.42 119.99 2bkd h ASP 124 Ca -0.01 -0.50 -0.17 0.00 0.02 0.00 0.00 57.03 56.37 2bkd h ASP 124 Cb 1.34 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2bkd h ASP 124 CO 0.06 1.28 -0.74 0.00 -1.72 0.00 0.00 179.24 178.11 2bkd h THR 125 N 0.51 1.44 -2.18 0.35 1.03 -0.96 -3.48 112.91 109.62 2bkd h THR 125 Ca -0.02 -2.30 -0.68 0.00 -0.01 0.00 0.00 66.41 63.40 2bkd h THR 125 Cb 1.29 2.23 -0.16 0.00 -1.07 0.00 0.00 68.15 70.43 2bkd h THR 125 CO 0.14 0.67 1.01 -0.36 -0.01 0.00 0.00 175.52 176.97 2bkd s PHE 126 N -3.48 3.08 0.00 0.00 0.40 0.09 -4.99 117.98 113.07 2bkd s PHE 126 Ca -0.04 -1.41 0.00 0.00 -0.60 0.00 0.00 56.93 54.88 2bkd s PHE 126 Cb 0.11 -4.35 0.00 0.00 0.51 0.00 0.00 43.02 39.29 2bkd s PHE 126 CO 0.82 -1.54 0.00 0.36 0.70 0.00 0.00 175.22 175.55 2bkd n LYS 128 N 6.79 0.00 -3.45 0.44 2.85 -1.26 -5.02 118.16 118.51 2bkd n LYS 128 Ca 0.27 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.15 2bkd n LYS 128 Cb 0.49 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.81 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2bkd s ILE 129 N 0.00 5.02 -0.25 0.58 1.01 -1.26 -5.07 121.20 121.23 2bkd s ILE 129 Ca 0.00 0.89 -0.09 0.00 0.00 0.00 0.00 60.65 61.46 2bkd s ILE 129 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2bkd s ILE 129 CO 0.00 0.53 0.12 -0.54 0.00 0.00 0.00 174.94 175.05 2bkd s LYS 130 N -0.78 3.80 -0.02 2.79 3.01 -1.26 -5.09 119.74 122.19 2bkd s LYS 130 Ca 0.24 -0.40 0.05 0.00 -1.01 0.00 0.00 55.97 54.85 2bkd s LYS 130 Cb -0.17 -3.44 -0.03 0.00 -1.01 0.00 0.00 37.83 33.18 2bkd s LYS 130 CO 0.13 -0.14 -0.16 -0.51 0.51 0.00 0.00 175.35 175.19 2bkd s LEU 131 N 1.55 2.67 -0.79 3.17 1.43 -1.26 -4.80 118.68 120.64 2bkd s LEU 131 Ca 0.06 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2bkd s LEU 131 Cb -0.15 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 2bkd s LEU 131 CO 0.06 0.32 0.64 0.47 0.23 0.00 0.00 176.35 178.07 2bkd n ASP 132 N 2.09 -6.05 -4.10 2.29 8.00 -1.26 -5.00 116.55 112.53 2bkd n ASP 132 Ca -0.17 -0.60 -0.36 0.00 0.71 0.00 0.00 54.79 54.37 2bkd n ASP 132 Cb 0.52 -3.16 -0.11 0.00 -0.02 0.00 0.00 41.12 38.35 2bkd n ASP 132 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bkd s VAL 133 N -2.99 3.35 -2.20 2.53 1.01 -1.26 -5.35 120.40 115.49 2bkd s VAL 133 Ca 0.00 -2.44 0.30 0.00 0.00 0.00 0.00 61.98 59.85 2bkd s VAL 133 Cb -0.00 -3.27 0.76 0.00 0.00 0.00 0.00 36.38 33.88 2bkd s VAL 133 CO 0.84 -0.76 2.03 -0.81 0.00 0.00 0.00 175.10 176.40