#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 1.60 0.00 2.12 2.02 -1.26 -5.08 118.70 118.10 2bkd s GLU 2 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2bkd s GLU 2 Cb 0.00 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.73 2bkd s GLU 2 CO 0.00 -0.13 0.00 0.39 0.02 0.00 0.00 175.26 175.54 2bkd n GLU 3 N 4.40 0.00 -5.05 1.61 1.02 -1.26 -5.12 120.64 116.24 2bkd n GLU 3 Ca -0.18 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.64 2bkd n GLU 3 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.78 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2bkd s LEU 4 N 0.00 2.46 -0.21 -4.62 2.01 -1.24 -5.05 118.68 112.03 2bkd s LEU 4 Ca 0.00 -0.32 -0.11 0.00 0.01 0.00 0.00 54.13 53.71 2bkd s LEU 4 Cb 0.00 -1.48 -0.05 0.00 0.01 0.00 0.00 46.19 44.68 2bkd s LEU 4 CO 0.00 0.31 0.19 0.54 1.01 0.00 0.00 176.35 178.41 2bkd s VAL 5 N -0.56 5.35 0.41 -1.59 0.11 -1.26 -0.54 120.40 122.33 2bkd s VAL 5 Ca 0.08 0.29 0.07 0.00 -2.93 0.00 0.00 61.98 59.49 2bkd s VAL 5 Cb -0.11 -3.53 -0.06 0.00 -1.53 0.00 0.00 36.38 31.15 2bkd s VAL 5 CO 0.01 0.37 0.13 0.54 -3.33 0.00 0.00 175.10 172.83 2bkd s VAL 6 N 0.76 2.27 -0.01 2.04 0.11 -0.49 -4.63 120.40 120.45 2bkd s VAL 6 Ca 0.10 -1.78 0.05 0.00 -2.93 0.00 0.00 61.98 57.43 2bkd s VAL 6 Cb -0.13 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 2bkd s VAL 6 CO 0.02 -0.01 -0.16 -1.83 -3.33 0.00 0.00 175.10 169.79 2bkd s GLU 7 N -3.85 2.31 0.16 1.54 -1.05 -0.86 -1.49 118.70 115.46 2bkd s GLU 7 Ca 0.39 -0.83 0.07 0.00 -0.15 0.00 0.00 54.97 54.46 2bkd s GLU 7 Cb 0.05 -2.29 -0.04 0.00 -0.44 0.00 0.00 34.13 31.41 2bkd s GLU 7 CO 0.21 0.58 -0.16 0.14 0.95 0.00 0.00 175.26 176.99 2bkd s VAL 8 N -0.83 1.62 0.06 1.83 -7.23 -0.19 -0.58 120.40 115.08 2bkd s VAL 8 Ca 0.13 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2bkd s VAL 8 Cb -0.11 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 2bkd s VAL 8 CO 0.03 -0.42 -0.08 0.00 -0.31 0.00 0.00 175.10 174.31 2bkd s ARG 9 N -2.98 0.63 0.00 4.82 3.03 -0.69 -1.20 118.95 122.56 2bkd s ARG 9 Ca 0.15 -0.89 0.00 0.00 2.03 0.00 0.00 55.73 57.02 2bkd s ARG 9 Cb -0.04 -0.35 0.00 0.00 -1.03 0.00 0.00 34.95 33.53 2bkd s ARG 9 CO 0.05 0.06 0.00 0.41 -1.13 0.00 0.00 175.30 174.69 2bkd n GLY 10 N 1.15 -0.52 0.33 3.88 0.00 -1.26 -4.82 105.19 103.95 2bkd n GLY 10 Ca -0.21 0.43 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 0.79 -0.67 1.61 0.87 -1.98 -1.73 113.55 112.44 2bkd h SER 11 Ca 0.00 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2bkd h SER 11 Cb 0.00 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 2bkd h SER 11 CO 0.00 0.45 0.44 -1.13 -0.53 0.00 0.00 176.83 176.07 2bkd h ASN 12 N 0.90 0.59 0.00 6.23 -1.24 -1.99 -3.47 115.58 116.60 2bkd h ASN 12 Ca 0.42 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.44 2bkd h ASN 12 Cb 0.36 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2bkd h ASN 12 CO -0.24 0.38 0.00 0.61 -1.29 0.00 0.00 177.43 176.90 2bkd n GLY 13 N -1.46 3.33 0.00 1.57 0.00 -0.65 -5.03 105.19 102.95 2bkd n GLY 13 Ca 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 -2.38 4.61 0.00 -1.26 -4.77 120.51 116.70 2bkd n ALA 14 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2bkd n ALA 14 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2bkd n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bkd s PHE 15 N 1.22 3.74 -0.05 0.00 0.08 -1.26 -4.07 117.98 117.64 2bkd s PHE 15 Ca 0.00 1.27 0.05 0.00 0.12 0.00 0.00 56.93 58.37 2bkd s PHE 15 Cb 0.00 -2.61 -0.01 0.00 -0.57 0.00 0.00 43.02 39.84 2bkd s PHE 15 CO 0.00 0.42 -0.20 1.52 -0.10 0.00 0.00 175.22 176.86 2bkd s TYR 16 N -0.50 2.02 0.18 0.36 1.13 -0.34 -4.94 117.35 115.26 2bkd s TYR 16 Ca 0.31 -0.60 -0.30 0.00 -1.41 0.00 0.00 57.07 55.08 2bkd s TYR 16 Cb -0.19 -1.34 -0.08 0.00 -1.10 0.00 0.00 41.96 39.25 2bkd s TYR 16 CO 0.19 -0.19 0.96 0.15 -2.51 0.00 0.00 175.55 174.15 2bkd s LYS 17 N -0.03 4.77 0.00 -3.49 1.02 -1.26 -1.02 119.74 119.72 2bkd s LYS 17 Ca -0.04 1.50 -0.01 0.00 0.02 0.00 0.00 55.97 57.44 2bkd s LYS 17 Cb -0.13 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2bkd s LYS 17 CO 0.03 0.35 0.01 0.00 -0.92 0.00 0.00 175.35 174.82 2bkd s ALA 18 N -0.63 -0.01 -0.25 5.17 0.00 -0.56 -4.78 121.76 120.71 2bkd s ALA 18 Ca 0.44 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 2bkd s ALA 18 Cb -0.25 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2bkd s ALA 18 CO 0.32 -0.07 -0.02 -0.06 0.00 0.00 0.00 175.76 175.92 2bkd s PHE 19 N -0.56 3.04 -0.13 0.00 0.08 -0.55 -1.40 117.98 118.46 2bkd s PHE 19 Ca -0.06 -1.20 -0.29 0.00 0.12 0.00 0.00 56.93 55.49 2bkd s PHE 19 Cb -0.04 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2bkd s PHE 19 CO -0.00 -0.63 1.16 0.08 -0.10 0.00 0.00 175.22 175.73 2bkd s VAL 20 N 1.42 4.43 -0.20 -0.44 1.01 0.30 -0.85 120.40 126.07 2bkd s VAL 20 Ca 0.03 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.72 2bkd s VAL 20 Cb -0.16 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 31.90 2bkd s VAL 20 CO -0.03 -0.08 0.02 1.17 0.00 0.00 0.00 175.10 176.18 2bkd n LYS 21 N 5.87 0.70 -3.56 2.72 4.81 0.01 -3.66 118.16 125.05 2bkd n LYS 21 Ca 0.12 0.20 -0.17 0.00 -0.87 0.00 0.00 58.31 57.58 2bkd n LYS 21 Cb 0.46 -1.60 -0.06 0.00 0.02 0.00 0.00 35.03 33.85 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bkd s ASP 22 N -6.74 -0.59 0.20 3.14 -1.08 -0.95 -5.00 116.67 105.65 2bkd s ASP 22 Ca -0.30 0.64 0.10 0.00 -0.52 0.00 0.00 52.55 52.47 2bkd s ASP 22 Cb 0.08 0.52 -0.04 0.00 -1.46 0.00 0.00 42.92 42.01 2bkd s ASP 22 CO 0.67 -0.58 -0.20 0.68 0.52 0.00 0.00 175.17 176.26 2bkd s VAL 23 N -1.19 2.13 -0.20 1.11 -7.23 -1.26 -0.80 120.40 112.95 2bkd s VAL 23 Ca -0.11 -2.09 -0.14 0.00 -1.81 0.00 0.00 61.98 57.83 2bkd s VAL 23 Cb -0.01 -2.06 -0.19 0.00 0.56 0.00 0.00 36.38 34.68 2bkd s VAL 23 CO 0.09 -0.29 0.10 1.21 -0.31 0.00 0.00 175.10 175.89 2bkd n GLU 25 N 0.02 0.63 -0.11 4.82 2.13 -1.26 -5.00 120.64 121.87 2bkd n GLU 25 Ca -0.11 0.39 -0.13 0.00 0.66 0.00 0.00 57.16 57.97 2bkd n GLU 25 Cb 0.58 -1.66 -0.14 0.00 0.27 0.00 0.00 31.44 30.48 2bkd n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2bkd n ASP 26 N -4.03 0.83 -4.32 4.31 8.00 -1.26 -5.04 116.55 115.05 2bkd n ASP 26 Ca -0.38 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 54.90 2bkd n ASP 26 Cb 0.85 0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 42.25 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 -5.93 2.14 -0.06 -2.24 1.04 -1.26 -3.80 113.70 103.58 2bkd s SER 27 Ca -0.20 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.18 2bkd s SER 27 Cb 0.07 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 2bkd s SER 27 CO 0.74 -0.34 -0.19 -0.51 0.98 0.00 0.00 173.24 173.91 2bkd s ILE 28 N -3.22 2.56 -0.20 -1.02 2.07 0.00 -4.70 121.20 116.69 2bkd s ILE 28 Ca 0.23 -0.89 -0.07 0.00 -1.41 0.00 0.00 60.65 58.51 2bkd s ILE 28 Cb 0.03 -1.98 -0.04 0.00 0.13 0.00 0.00 42.46 40.60 2bkd s ILE 28 CO 0.06 0.57 0.07 -0.89 -1.91 0.00 0.00 174.94 172.84 2bkd s THR 29 N -0.32 4.65 0.03 4.00 2.01 0.02 -1.69 115.64 124.34 2bkd s THR 29 Ca 0.02 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2bkd s THR 29 Cb -0.13 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2bkd s THR 29 CO 0.02 0.42 -0.04 0.68 -0.69 0.00 0.00 174.62 175.01 2bkd s VAL 30 N 0.78 0.18 -0.00 3.82 -7.23 -0.38 -0.81 120.40 116.77 2bkd s VAL 30 Ca 0.04 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2bkd s VAL 30 Cb -0.13 -0.44 -0.00 0.00 0.56 0.00 0.00 36.38 36.36 2bkd s VAL 30 CO 0.02 -0.54 0.06 0.00 -0.31 0.00 0.00 175.10 174.34 2bkd s ALA 31 N -1.71 -0.13 0.08 1.32 0.00 -0.02 -1.50 121.76 119.78 2bkd s ALA 31 Ca -0.13 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.72 2bkd s ALA 31 Cb -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2bkd s ALA 31 CO -0.02 -0.14 -0.03 -0.06 0.00 0.00 0.00 175.76 175.51 2bkd s PHE 32 N -0.94 2.91 -1.40 0.00 0.08 -1.25 -1.49 117.98 115.89 2bkd s PHE 32 Ca -0.10 -0.06 -0.13 0.00 0.12 0.00 0.00 56.93 56.76 2bkd s PHE 32 Cb -0.06 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.94 2bkd s PHE 32 CO 0.00 0.45 2.10 -1.91 -0.10 0.00 0.00 175.22 175.77 2bkd n GLU 33 N 0.76 3.05 0.00 0.44 2.13 -1.26 -4.68 120.64 121.08 2bkd n GLU 33 Ca -0.12 -2.88 0.00 0.00 0.66 0.00 0.00 57.16 54.82 2bkd n GLU 33 Cb 0.52 -3.22 0.00 0.00 0.27 0.00 0.00 31.44 29.01 2bkd n GLU 33 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2bkd n ASN 34 N 5.76 0.00 0.14 4.31 5.15 -1.26 -4.67 115.26 124.69 2bkd n ASN 34 Ca 0.49 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.46 2bkd n ASN 34 Cb 0.39 -0.14 0.25 0.00 -0.53 0.00 0.00 39.78 39.76 2bkd n ASN 34 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2bkd h ASN 35 N 0.00 0.11 -0.96 1.20 -1.07 -1.98 -3.39 115.58 109.48 2bkd h ASN 35 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 56.30 56.29 2bkd h ASN 35 Cb 0.00 -0.03 -0.19 0.00 -2.07 0.00 0.00 38.32 36.03 2bkd h ASN 35 CO 0.00 0.55 -0.42 -1.66 0.07 0.00 0.00 177.43 175.97 2bkd s TRP 36 N -4.02 -1.69 0.00 4.14 1.48 -1.26 -5.16 118.94 112.43 2bkd s TRP 36 Ca -0.03 0.40 0.00 0.00 -1.06 0.00 0.00 56.10 55.41 2bkd s TRP 36 Cb 0.13 0.31 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 2bkd s TRP 36 CO 0.75 -1.12 0.00 1.04 -4.06 0.00 0.00 176.95 173.57 2bkd n GLN 37 N 4.57 0.00 -0.02 3.25 1.13 -1.26 -4.66 117.38 120.40 2bkd n GLN 37 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2bkd n GLN 37 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2bkd n GLN 37 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2bkd n PRO 38 N 1.82 1.04 -1.44 -1.09 -0.04 -1.26 -3.93 135.00 130.10 2bkd n PRO 38 Ca 0.00 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 62.92 2bkd n PRO 38 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2bkd n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bkd n ASP 39 N -0.47 1.86 -4.59 3.54 9.92 -1.26 -4.56 116.55 120.98 2bkd n ASP 39 Ca 0.00 0.58 -0.24 0.00 -0.53 0.00 0.00 54.79 54.60 2bkd n ASP 39 Cb 0.00 -1.16 -0.09 0.00 -0.64 0.00 0.00 41.12 39.23 2bkd n ASP 39 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2bkd s ARG 40 N 5.75 2.03 -0.13 -1.24 3.52 -0.56 -4.96 118.95 123.36 2bkd s ARG 40 Ca 1.10 -1.67 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2bkd s ARG 40 Cb -1.04 -1.94 -0.00 0.00 -1.56 0.00 0.00 34.95 30.41 2bkd s ARG 40 CO 0.55 0.24 -0.18 -0.65 -0.81 0.00 0.00 175.30 174.46 2bkd s GLN 41 N -3.65 3.20 0.05 5.12 -0.21 -1.26 -1.25 119.66 121.66 2bkd s GLN 41 Ca 0.33 -0.78 0.08 0.00 0.02 0.00 0.00 55.36 55.01 2bkd s GLN 41 Cb -0.03 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 2bkd s GLN 41 CO 0.18 0.11 -0.23 0.96 -2.12 0.00 0.00 175.29 174.20 2bkd s ILE 42 N 0.55 1.85 0.78 1.08 -4.36 -0.68 -4.96 121.20 115.46 2bkd s ILE 42 Ca -0.11 -1.30 -0.14 0.00 -0.26 0.00 0.00 60.65 58.84 2bkd s ILE 42 Cb -0.16 -1.60 0.06 0.00 1.25 0.00 0.00 42.46 42.01 2bkd s ILE 42 CO 0.04 0.24 1.19 -0.81 0.24 0.00 0.00 174.94 175.84 2bkd n PRO 43 N 1.75 0.33 0.00 0.37 -0.04 -1.26 -0.82 135.00 135.33 2bkd n PRO 43 Ca -0.17 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2bkd n PRO 43 Cb 0.53 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2bkd n PRO 43 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bkd n PHE 44 N -3.05 0.00 0.00 0.54 3.72 -1.25 -3.93 117.46 113.50 2bkd n PHE 44 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2bkd n PHE 44 Cb 0.50 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 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 1.69 0.00 -4.88 4.37 9.92 -1.26 -3.15 116.55 123.24 2bkd n ASP 46 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 2bkd n ASP 46 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 5.43 -0.06 2.53 1.01 -1.25 -1.70 120.40 126.35 2bkd s VAL 47 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 2bkd s VAL 47 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2bkd s VAL 47 CO 0.00 0.58 -0.02 -0.60 0.00 0.00 0.00 175.10 175.05 2bkd s ARG 48 N -1.14 0.77 -0.24 2.72 6.06 0.26 -2.73 118.95 124.64 2bkd s ARG 48 Ca 0.18 -0.01 -0.22 0.00 -2.50 0.00 0.00 55.73 53.18 2bkd s ARG 48 Cb -0.13 -0.95 -0.02 0.00 0.06 0.00 0.00 34.95 33.91 2bkd s ARG 48 CO 0.07 -0.20 0.69 -0.06 -2.50 0.00 0.00 175.30 173.30 2bkd s PHE 49 N 1.47 3.30 0.00 5.12 0.40 -1.26 -2.02 117.98 124.99 2bkd s PHE 49 Ca -0.02 0.93 0.13 0.00 -0.60 0.00 0.00 56.93 57.37 2bkd s PHE 49 Cb -0.13 -2.90 0.12 0.00 0.51 0.00 0.00 43.02 40.62 2bkd s PHE 49 CO -0.03 -0.33 1.46 -1.00 0.70 0.00 0.00 175.22 176.02 2bkd h PRO 50 N 7.79 0.00 -7.18 0.24 0.13 -1.89 -3.47 132.00 127.62 2bkd h PRO 50 Ca -0.26 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.38 2bkd h PRO 50 Cb 1.12 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.30 2bkd h PRO 50 CO 0.80 0.62 0.24 -1.25 -0.23 0.00 0.00 178.00 178.18 2bkd s PRO 51 N -3.05 3.17 0.12 1.56 0.04 -1.26 -5.07 135.00 130.51 2bkd s PRO 51 Ca 0.02 0.25 -0.02 0.00 0.04 0.00 0.00 61.00 61.29 2bkd s PRO 51 Cb 0.09 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2bkd s PRO 51 CO 0.76 -0.62 0.14 -0.35 0.04 0.00 0.00 177.00 176.97 2bkd n PRO 52 N -2.61 -0.58 -3.21 0.56 -0.04 -1.26 -5.02 135.00 122.85 2bkd n PRO 52 Ca 0.04 -0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 2bkd n PRO 52 Cb 0.56 -0.17 -0.06 0.00 -0.04 0.00 0.00 33.50 33.79 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 -2.43 1.87 0.00 0.52 3.14 -1.26 -5.04 118.33 115.13 2bkd n VAL 53 Ca 0.02 -5.09 0.00 0.00 -2.96 0.00 0.00 64.34 56.31 2bkd n VAL 53 Cb 0.07 -1.66 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 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 0.52 -1.47 3.38 7.55 0.00 -1.26 -5.00 105.19 108.91 2bkd n GLY 54 Ca 0.28 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 2bkd n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bkd s TYR 55 N -1.78 3.11 0.00 1.61 2.02 -1.26 -4.82 117.35 116.24 2bkd s TYR 55 Ca 0.00 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 2bkd s TYR 55 Cb 0.00 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 2bkd s TYR 55 CO 0.00 -0.50 0.00 -1.71 -1.57 0.00 0.00 175.55 171.77 2bkd n ASN 56 N 4.89 2.02 -4.73 2.29 2.85 -1.26 -5.07 115.26 116.25 2bkd n ASN 56 Ca -0.15 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.90 2bkd n ASN 56 Cb 0.49 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.48 2bkd n ASN 56 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2bkd s LYS 57 N -1.59 4.52 0.36 1.20 1.02 -1.26 -5.01 119.74 118.97 2bkd s LYS 57 Ca 0.00 1.76 0.03 0.00 0.02 0.00 0.00 55.97 57.78 2bkd s LYS 57 Cb 0.00 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2bkd s LYS 57 CO 0.00 -0.08 0.10 0.34 -0.92 0.00 0.00 175.35 174.79 2bkd s ASP 58 N 0.38 2.43 0.38 2.83 2.15 -1.26 -5.07 116.67 118.51 2bkd s ASP 58 Ca 0.53 -1.53 -0.15 0.00 0.43 0.00 0.00 52.55 51.84 2bkd s ASP 58 Cb -0.30 0.25 -0.08 0.00 -0.30 0.00 0.00 42.92 42.49 2bkd s ASP 58 CO 0.33 -0.79 0.79 -0.51 -0.17 0.00 0.00 175.17 174.82 2bkd s ILE 59 N -3.31 4.66 -0.33 4.11 2.07 -1.26 -4.99 121.20 122.14 2bkd s ILE 59 Ca 0.30 0.95 0.10 0.00 -1.41 0.00 0.00 60.65 60.59 2bkd s ILE 59 Cb 0.05 -3.65 0.72 0.00 0.13 0.00 0.00 42.46 39.71 2bkd s ILE 59 CO 0.15 -0.34 1.78 0.59 -1.91 0.00 0.00 174.94 175.21 2bkd n ASN 60 N -0.77 4.53 -2.30 4.50 5.03 -1.26 -4.92 115.26 120.07 2bkd n ASN 60 Ca 0.04 -3.30 -0.20 0.00 0.87 0.00 0.00 54.58 51.99 2bkd n ASN 60 Cb 0.54 -0.74 -0.01 0.00 -1.02 0.00 0.00 39.78 38.55 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 -0.35 -1.71 0.05 3.52 1.02 -1.26 -4.82 120.64 117.09 2bkd n GLU 61 Ca 0.42 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.52 2bkd n GLU 61 Cb 1.38 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.22 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 -1.83 0.47 -4.02 1.62 2.88 -1.26 -5.10 113.62 106.39 2bkd n SER 62 Ca -0.23 0.15 -0.15 0.00 -1.33 0.00 0.00 58.87 57.32 2bkd n SER 62 Cb 0.68 -0.08 0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bkd n ASP 63 N -3.26 1.67 -4.91 -3.46 -0.08 -1.26 -4.97 116.55 100.28 2bkd n ASP 63 Ca 0.00 -2.13 -0.21 0.00 -1.51 0.00 0.00 54.79 50.94 2bkd n ASP 63 Cb 0.13 -0.22 -0.02 0.00 2.34 0.00 0.00 41.12 43.35 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2bkd s GLU 64 N -3.75 2.99 0.42 -0.67 0.41 -1.26 -4.68 118.70 112.16 2bkd s GLU 64 Ca 0.37 -1.09 0.07 0.00 -0.41 0.00 0.00 54.97 53.90 2bkd s GLU 64 Cb -0.03 -2.66 -0.07 0.00 -1.78 0.00 0.00 34.13 29.59 2bkd s GLU 64 CO 0.23 0.18 0.03 0.14 -0.49 0.00 0.00 175.26 175.36 2bkd s VAL 65 N -2.19 1.97 0.08 2.63 -7.23 -0.16 -4.74 120.40 110.76 2bkd s VAL 65 Ca 0.40 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2bkd s VAL 65 Cb -0.08 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2bkd s VAL 65 CO 0.28 0.00 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.41 2bkd s GLU 66 N -3.75 2.40 -0.10 4.82 2.02 -0.62 -0.83 118.70 122.64 2bkd s GLU 66 Ca 0.33 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.47 2bkd s GLU 66 Cb 0.09 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.87 2bkd s GLU 66 CO 0.17 0.54 -0.17 0.08 0.02 0.00 0.00 175.26 175.90 2bkd s VAL 67 N -1.21 1.60 0.04 2.63 1.01 0.10 -0.44 120.40 124.14 2bkd s VAL 67 Ca 0.22 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2bkd s VAL 67 Cb -0.11 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2bkd s VAL 67 CO 0.14 0.46 1.15 -0.72 0.00 0.00 0.00 175.10 176.14 2bkd s TYR 68 N 0.70 3.48 0.14 5.22 1.13 -0.93 -1.98 117.35 125.11 2bkd s TYR 68 Ca -0.12 1.38 0.04 0.00 -1.41 0.00 0.00 57.07 56.96 2bkd s TYR 68 Cb -0.16 -3.36 -0.04 0.00 -1.10 0.00 0.00 41.96 37.31 2bkd s TYR 68 CO 0.03 -1.00 0.16 0.45 -2.51 0.00 0.00 175.55 172.67 2bkd s SER 69 N 1.06 5.73 -0.04 -0.18 0.15 -1.26 -4.89 113.70 114.27 2bkd s SER 69 Ca 0.57 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 2bkd s SER 69 Cb -0.27 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2bkd s SER 69 CO 0.29 0.09 0.08 -0.13 1.20 0.00 0.00 173.24 174.77 2bkd s ARG 70 N -2.96 3.13 0.54 5.44 1.81 -1.26 -4.82 118.95 120.82 2bkd s ARG 70 Ca 0.32 -0.41 0.29 0.00 -1.72 0.00 0.00 55.73 54.21 2bkd s ARG 70 Cb -0.11 -2.91 1.54 0.00 -0.45 0.00 0.00 34.95 33.02 2bkd s ARG 70 CO 0.24 0.68 2.10 0.00 -0.68 0.00 0.00 175.30 177.65 2bkd h ALA 71 N 4.42 1.27 0.00 2.13 0.00 -1.97 -3.37 119.26 121.74 2bkd h ALA 71 Ca -0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2bkd h ALA 71 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2bkd h ALA 71 CO 0.60 0.12 -0.64 0.09 0.00 0.00 0.00 179.25 179.42 2bkd n ASN 72 N -3.60 0.95 0.00 0.00 3.02 -1.26 -4.89 115.26 109.48 2bkd n ASN 72 Ca -0.02 0.14 0.06 0.00 -0.03 0.00 0.00 54.58 54.73 2bkd n ASN 72 Cb 0.22 -0.33 0.39 0.00 -0.61 0.00 0.00 39.78 39.45 2bkd n ASN 72 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bkd n GLU 73 N -3.53 0.76 -1.63 3.52 1.02 -1.26 -3.97 120.64 115.55 2bkd n GLU 73 Ca -0.06 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.73 2bkd n GLU 73 Cb 0.29 -1.27 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 2bkd n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2bkd n LYS 74 N -0.77 3.74 0.26 3.49 4.76 -1.26 -4.49 118.16 123.90 2bkd n LYS 74 Ca 0.10 -2.69 -0.17 0.00 -2.87 0.00 0.00 58.31 52.68 2bkd n LYS 74 Cb 0.04 -2.53 -0.08 0.00 -1.84 0.00 0.00 35.03 30.62 2bkd n LYS 74 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2bkd h GLU 75 N 4.29 -0.81 -7.57 1.97 5.08 -1.97 -3.43 114.58 112.13 2bkd h GLU 75 Ca 0.65 0.06 -0.48 0.00 -1.00 0.00 0.00 59.36 58.59 2bkd h GLU 75 Cb 0.49 0.18 0.09 0.00 0.50 0.00 0.00 28.75 30.01 2bkd h GLU 75 CO 1.34 -0.54 0.41 -1.25 -1.00 0.00 0.00 179.01 177.97 2bkd s PRO 76 N -5.97 2.26 -0.02 2.33 0.04 -1.26 -4.93 135.00 127.45 2bkd s PRO 76 Ca -0.17 0.22 -0.21 0.00 0.04 0.00 0.00 61.00 60.88 2bkd s PRO 76 Cb 0.05 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2bkd s PRO 76 CO 0.62 -1.41 0.57 0.00 0.04 0.00 0.00 177.00 176.82 2bkd n TRP 79 N 3.51 0.00 0.00 0.00 2.14 -1.26 -4.88 117.44 116.95 2bkd n TRP 79 Ca -0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.52 2bkd n TRP 79 Cb 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.01 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 -0.52 0.00 -2.81 -2.67 8.01 -0.84 -4.73 117.44 113.88 2bkd n TRP 80 Ca 0.00 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.77 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 -0.48 -1.01 0.00 0.00 177.69 176.20 2bkd s LEU 81 N 0.00 4.07 -0.03 -0.99 0.05 -1.26 0.01 118.68 120.53 2bkd s LEU 81 Ca 0.00 1.09 0.05 0.00 0.05 0.00 0.00 54.13 55.33 2bkd s LEU 81 Cb 0.00 -3.31 -0.01 0.00 -2.05 0.00 0.00 46.19 40.82 2bkd s LEU 81 CO 0.00 -0.61 -0.19 0.00 -0.55 0.00 0.00 176.35 175.00 2bkd s ALA 82 N 3.03 1.67 -0.26 1.48 0.00 -0.01 -3.98 121.76 123.69 2bkd s ALA 82 Ca 0.38 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 2bkd s ALA 82 Cb -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2bkd s ALA 82 CO 0.08 0.35 0.11 0.15 0.00 0.00 0.00 175.76 176.45 2bkd s LYS 83 N -0.20 3.70 -0.14 0.00 3.01 -0.27 -0.98 119.74 124.85 2bkd s LYS 83 Ca 0.01 -0.46 -0.07 0.00 -1.01 0.00 0.00 55.97 54.44 2bkd s LYS 83 Cb -0.10 -3.43 -0.04 0.00 -1.01 0.00 0.00 37.83 33.25 2bkd s LYS 83 CO 0.01 -0.21 0.12 0.08 0.51 0.00 0.00 175.35 175.86 2bkd s VAL 84 N 1.65 5.30 -0.26 3.17 1.01 -1.26 -0.53 120.40 129.48 2bkd s VAL 84 Ca 0.06 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 2bkd s VAL 84 Cb -0.15 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.74 2bkd s VAL 84 CO 0.06 0.57 -0.24 0.54 0.00 0.00 0.00 175.10 176.03 2bkd n ARG 85 N 2.42 0.63 -3.74 2.72 3.00 -0.37 -4.94 116.66 116.38 2bkd n ARG 85 Ca -0.19 0.22 -0.10 0.00 -0.01 0.00 0.00 57.85 57.77 2bkd n ARG 85 Cb 0.54 -1.52 -0.06 0.00 0.00 0.00 0.00 32.46 31.41 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 -2.51 0.92 -0.16 5.56 0.23 -1.25 -5.02 119.30 117.07 2bkd s MET 86 Ca -0.36 -0.71 0.01 0.00 -1.03 0.00 0.00 55.69 53.60 2bkd s MET 86 Cb 0.11 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.82 2bkd s MET 86 CO 0.56 -0.32 -0.18 0.42 -2.03 0.00 0.00 175.02 173.47 2bkd s ILE 87 N -3.41 2.35 -0.60 3.16 1.09 -1.26 -1.87 121.20 120.66 2bkd s ILE 87 Ca 0.01 -0.86 0.02 0.00 -1.10 0.00 0.00 60.65 58.72 2bkd s ILE 87 Cb 0.02 -1.98 0.15 0.00 -1.06 0.00 0.00 42.46 39.59 2bkd s ILE 87 CO -0.09 0.53 0.37 -0.75 -0.10 0.00 0.00 174.94 174.90 2bkd s LYS 88 N 1.02 2.27 1.78 2.79 2.20 0.99 -4.98 119.74 125.80 2bkd s LYS 88 Ca -0.02 -2.78 0.00 0.00 -0.36 0.00 0.00 55.97 52.81 2bkd s LYS 88 Cb -0.15 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2bkd s LYS 88 CO -0.05 -1.16 0.00 0.41 -0.36 0.00 0.00 175.35 174.19 2bkd n GLY 89 N 2.92 0.27 0.00 5.54 0.00 -1.26 -1.33 105.19 111.33 2bkd n GLY 89 Ca 0.09 0.70 0.09 0.00 0.00 0.00 0.00 46.02 46.90 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 0.48 -5.07 1.61 1.02 -1.26 -4.97 120.64 112.45 2bkd n GLU 90 Ca 0.00 -0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.79 2bkd n GLU 90 Cb 0.00 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.95 2.58 -0.06 -0.32 0.40 -0.44 -1.04 117.98 116.14 2bkd s PHE 91 Ca 0.05 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 2bkd s PHE 91 Cb 0.15 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 42.05 2bkd s PHE 91 CO 0.82 -0.06 -0.14 0.71 0.70 0.00 0.00 175.22 177.25 2bkd s TYR 92 N -0.32 1.53 -0.31 0.36 1.51 0.17 -0.01 117.35 120.29 2bkd s TYR 92 Ca 0.02 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.40 2bkd s TYR 92 Cb -0.13 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 2bkd s TYR 92 CO 0.02 -0.25 0.32 0.08 -1.11 0.00 0.00 175.55 174.61 2bkd s VAL 93 N 0.51 5.21 0.12 0.71 1.01 -0.78 -1.60 120.40 125.58 2bkd s VAL 93 Ca -0.12 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2bkd s VAL 93 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2bkd s VAL 93 CO 0.04 0.05 -0.23 -0.63 0.00 0.00 0.00 175.10 174.33 2bkd s ILE 94 N 1.95 1.93 -0.08 2.22 1.01 -0.11 -1.24 121.20 126.88 2bkd s ILE 94 Ca 0.11 -1.67 0.01 0.00 0.00 0.00 0.00 60.65 59.10 2bkd s ILE 94 Cb -0.16 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2bkd s ILE 94 CO 0.11 -0.04 -0.10 -0.70 0.00 0.00 0.00 174.94 174.21 2bkd s GLU 95 N -2.07 2.90 0.07 2.79 2.12 0.31 -0.77 118.70 124.04 2bkd s GLU 95 Ca 0.10 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 2bkd s GLU 95 Cb -0.10 -2.56 -0.05 0.00 0.26 0.00 0.00 34.13 31.68 2bkd s GLU 95 CO 0.05 0.51 0.27 0.71 -0.54 0.00 0.00 175.26 176.27 2bkd s TYR 96 N -0.42 3.52 0.00 5.30 2.02 -1.26 -1.12 117.35 125.39 2bkd s TYR 96 Ca 0.06 0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.98 2bkd s TYR 96 Cb -0.12 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 2bkd s TYR 96 CO 0.02 0.55 0.59 0.00 -1.57 0.00 0.00 175.55 175.14 2bkd s ALA 97 N -1.50 3.50 0.00 3.71 0.00 -1.26 -4.41 121.76 121.81 2bkd s ALA 97 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2bkd s ALA 97 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2bkd s ALA 97 CO 0.24 0.19 0.00 0.00 0.00 0.00 0.00 175.76 176.19 2bkd n ALA 98 N 2.61 0.00 -1.90 0.00 0.00 -1.26 -4.96 120.51 115.00 2bkd n ALA 98 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 2bkd n ALA 98 Cb 0.51 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.06 1.07 -4.07 0.00 5.75 -1.26 -4.81 116.55 110.17 2bkd n ASP 100 Ca 0.07 0.41 -0.39 0.00 -0.01 0.00 0.00 54.79 54.87 2bkd n ASP 100 Cb 0.58 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bkd n ALA 101 N -3.19 4.22 -3.69 2.12 0.00 -1.26 -4.95 120.51 113.75 2bkd n ALA 101 Ca -0.05 -4.68 -0.12 0.00 0.00 0.00 0.00 53.44 48.59 2bkd n ALA 101 Cb 0.19 -1.92 -0.12 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.78 -0.25 -0.62 0.00 2.01 -1.26 -5.03 115.64 108.70 2bkd s THR 102 Ca 0.31 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.55 2bkd s THR 102 Cb -0.03 -0.48 0.28 0.00 0.01 0.00 0.00 72.50 72.29 2bkd s THR 102 CO -0.06 0.08 0.83 -1.22 -0.69 0.00 0.00 174.62 173.56 2bkd n TYR 103 N 4.80 3.80 -1.17 4.92 4.01 -1.26 -4.97 117.16 127.30 2bkd n TYR 103 Ca -0.16 -4.09 0.00 0.00 -0.16 0.00 0.00 57.90 53.49 2bkd n TYR 103 Cb 0.52 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 2bkd n TYR 103 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2bkd n ASN 104 N 0.45 -6.52 -4.27 7.72 4.13 -1.26 -5.05 115.26 110.45 2bkd n ASN 104 Ca 0.30 0.99 -0.30 0.00 1.68 0.00 0.00 54.58 57.26 2bkd n ASN 104 Cb 0.40 -3.30 -0.16 0.00 -1.54 0.00 0.00 39.78 35.18 2bkd n ASN 104 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2bkd s GLU 105 N -4.47 2.10 -0.31 3.52 2.56 0.05 -4.97 118.70 117.17 2bkd s GLU 105 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 54.97 53.94 2bkd s GLU 105 Cb 0.00 -1.95 -0.02 0.00 2.00 0.00 0.00 34.13 34.16 2bkd s GLU 105 CO 0.00 0.48 0.43 0.96 -0.56 0.00 0.00 175.26 176.57 2bkd s ILE 106 N -0.46 5.11 0.05 -3.70 -4.36 -1.26 -0.93 121.20 115.66 2bkd s ILE 106 Ca 0.06 0.39 0.07 0.00 -0.26 0.00 0.00 60.65 60.91 2bkd s ILE 106 Cb -0.10 -3.83 -0.03 0.00 1.25 0.00 0.00 42.46 39.75 2bkd s ILE 106 CO 0.00 -0.03 -0.19 -0.69 0.24 0.00 0.00 174.94 174.27 2bkd s VAL 107 N 2.18 1.56 0.16 8.37 1.01 -0.62 -4.97 120.40 128.08 2bkd s VAL 107 Ca 0.16 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.93 2bkd s VAL 107 Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2bkd s VAL 107 CO 0.11 0.10 0.30 0.42 0.00 0.00 0.00 175.10 176.04 2bkd s THR 108 N -0.89 5.31 0.56 3.92 -4.23 -1.26 -0.65 115.64 118.38 2bkd s THR 108 Ca 0.06 -0.63 0.34 0.00 -1.18 0.00 0.00 61.69 60.28 2bkd s THR 108 Cb -0.09 -3.74 0.51 0.00 1.34 0.00 0.00 72.50 70.52 2bkd s THR 108 CO 0.02 -0.10 1.79 -0.29 -0.54 0.00 0.00 174.62 175.50 2bkd h ILE 109 N 1.62 0.38 -0.12 2.99 6.09 -1.46 -2.02 117.51 124.99 2bkd h ILE 109 Ca -0.48 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.04 2bkd h ILE 109 Cb 1.19 0.42 -0.00 0.00 0.47 0.00 0.00 36.82 38.90 2bkd h ILE 109 CO 0.69 0.00 0.11 1.05 -3.07 0.00 0.00 178.15 176.93 2bkd h GLU 110 N 0.00 0.00 -0.07 2.19 4.11 -1.95 -2.29 114.58 116.58 2bkd h GLU 110 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2bkd h GLU 110 Cb 2.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 2bkd h GLU 110 CO -0.01 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.61 2bkd n ARG 111 N -4.07 1.18 -4.00 1.06 1.74 -0.76 -5.01 116.66 106.80 2bkd n ARG 111 Ca -0.00 -1.44 -0.27 0.00 -0.77 0.00 0.00 57.85 55.37 2bkd n ARG 111 Cb 0.22 -1.28 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.16 4.11 -0.02 0.55 1.43 -0.86 -2.18 118.68 120.54 2bkd s LEU 112 Ca 0.18 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2bkd s LEU 112 Cb 0.12 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2bkd s LEU 112 CO 0.18 0.07 0.05 -0.60 0.23 0.00 0.00 176.35 176.28 2bkd s ARG 113 N -3.11 0.07 0.76 1.70 3.00 0.42 -4.93 118.95 116.87 2bkd s ARG 113 Ca 0.33 0.05 -0.09 0.00 -1.00 0.00 0.00 55.73 55.02 2bkd s ARG 113 Cb -0.11 0.03 0.08 0.00 0.00 0.00 0.00 34.95 34.95 2bkd s ARG 113 CO 0.26 -0.01 1.10 0.45 0.00 0.00 0.00 175.30 177.10 2bkd s SER 114 N -0.01 4.57 0.17 -2.12 0.15 -1.26 -1.59 113.70 113.60 2bkd s SER 114 Ca -0.00 0.56 -0.30 0.00 0.70 0.00 0.00 55.95 56.90 2bkd s SER 114 Cb -0.01 -1.10 -0.08 0.00 -1.71 0.00 0.00 66.02 63.13 2bkd s SER 114 CO 0.00 -1.81 1.22 0.54 1.20 0.00 0.00 173.24 174.39 2bkd s VAL 115 N -3.42 3.57 -0.16 4.45 0.11 -1.26 -4.75 120.40 118.94 2bkd s VAL 115 Ca 0.62 1.29 -0.04 0.00 -2.93 0.00 0.00 61.98 60.91 2bkd s VAL 115 Cb -0.10 -3.82 0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2bkd s VAL 115 CO 0.47 0.19 0.08 0.21 -3.33 0.00 0.00 175.10 172.72 2bkd s ASN 116 N 0.29 2.25 -0.13 3.54 2.47 -1.26 -5.03 114.94 117.06 2bkd s ASN 116 Ca 0.54 -0.55 -0.02 0.00 0.42 0.00 0.00 52.86 53.25 2bkd s ASN 116 Cb -0.33 -0.26 -0.01 0.00 -1.45 0.00 0.00 41.25 39.21 2bkd s ASN 116 CO 0.36 -0.33 2.50 -0.81 -3.72 0.00 0.00 177.10 175.09 2bkd n PRO 117 N 5.26 1.61 -2.21 0.43 -0.04 -1.26 -4.95 135.00 133.85 2bkd n PRO 117 Ca -0.07 -0.92 -0.37 0.00 -0.04 0.00 0.00 63.50 62.11 2bkd n PRO 117 Cb 0.49 -1.54 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.35 5.94 0.40 3.54 4.22 -1.26 -4.97 114.94 124.15 2bkd s ASN 118 Ca 0.31 2.31 -0.14 0.00 -2.14 0.00 0.00 52.86 53.20 2bkd s ASN 118 Cb 0.18 -2.60 -0.08 0.00 1.28 0.00 0.00 41.25 40.04 2bkd s ASN 118 CO -0.03 -1.08 0.81 -0.54 -2.04 0.00 0.00 177.10 174.22 2bkd s LYS 119 N -2.90 3.92 -0.50 3.55 1.02 -1.26 -4.94 119.74 118.63 2bkd s LYS 119 Ca 0.67 0.67 -0.28 0.00 0.02 0.00 0.00 55.97 57.06 2bkd s LYS 119 Cb -0.28 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2bkd s LYS 119 CO 0.34 -0.01 1.64 -1.25 -0.92 0.00 0.00 175.35 175.14 2bkd s PRO 120 N -3.53 3.15 0.00 -1.68 0.04 -1.26 -4.49 135.00 127.22 2bkd s PRO 120 Ca 0.54 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2bkd s PRO 120 Cb -0.10 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2bkd s PRO 120 CO 0.25 -2.11 0.00 0.00 0.04 0.00 0.00 177.00 175.18 2bkd n ALA 121 N 10.58 0.00 -3.65 8.56 0.00 -1.11 -4.95 120.51 129.95 2bkd n ALA 121 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2bkd n ALA 121 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2bkd n ALA 121 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2bkd s THR 122 N 0.00 0.00 0.00 0.00 -1.32 -1.26 -4.85 115.64 108.21 2bkd s THR 122 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2bkd s THR 122 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2bkd s THR 122 CO 0.00 0.00 0.00 1.17 -2.21 0.00 0.00 174.62 173.58 2bkd n LYS 123 N 2.53 0.00 0.19 7.08 4.81 -1.26 -3.70 118.16 127.81 2bkd n LYS 123 Ca -0.15 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.34 2bkd n LYS 123 Cb 0.56 0.00 0.50 0.00 0.02 0.00 0.00 35.03 36.11 2bkd n LYS 123 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2bkd h ASP 124 N 0.00 0.09 -0.53 3.14 3.32 -1.98 -1.65 116.42 118.81 2bkd h ASP 124 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2bkd h ASP 124 Cb 0.00 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2bkd h ASP 124 CO 0.00 0.20 0.21 0.71 -1.72 0.00 0.00 179.24 178.64 2bkd h THR 125 N 0.09 1.21 -1.43 0.35 1.35 -1.96 -3.43 112.91 109.09 2bkd h THR 125 Ca 0.02 -0.68 -0.61 0.00 -0.55 0.00 0.00 66.41 64.59 2bkd h THR 125 Cb 0.24 0.55 -0.22 0.00 -1.73 0.00 0.00 68.15 66.99 2bkd h THR 125 CO 0.01 0.27 0.67 0.49 -0.25 0.00 0.00 175.52 176.71 2bkd n PHE 126 N -4.32 2.18 -2.67 4.73 3.72 -0.63 -5.05 117.46 115.42 2bkd n PHE 126 Ca 0.05 -2.11 -0.04 0.00 -0.05 0.00 0.00 57.45 55.30 2bkd n PHE 126 Cb 0.18 -1.30 0.05 0.00 -0.94 0.00 0.00 39.48 37.46 2bkd n PHE 126 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2bkd n LYS 128 N 0.27 0.14 -3.22 -1.08 5.02 -1.26 -5.10 118.16 112.93 2bkd n LYS 128 Ca 0.51 -0.84 -0.39 0.00 -2.02 0.00 0.00 58.31 55.57 2bkd n LYS 128 Cb 0.42 -0.08 -0.06 0.00 -0.02 0.00 0.00 35.03 35.30 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bkd s ILE 129 N 0.72 5.11 -0.41 -0.18 1.01 -1.26 -5.04 121.20 121.15 2bkd s ILE 129 Ca 0.25 1.04 -0.15 0.00 0.00 0.00 0.00 60.65 61.79 2bkd s ILE 129 Cb 0.15 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.76 2bkd s ILE 129 CO -0.10 0.21 0.32 -0.75 0.00 0.00 0.00 174.94 174.62 2bkd s LYS 130 N 1.32 3.04 0.16 2.79 2.47 -1.26 -4.88 119.74 123.38 2bkd s LYS 130 Ca 0.27 -0.93 0.00 0.00 -1.56 0.00 0.00 55.97 53.74 2bkd s LYS 130 Cb -0.16 -3.96 0.00 0.00 -1.46 0.00 0.00 37.83 32.25 2bkd s LYS 130 CO 0.11 -0.74 0.00 -0.11 0.16 0.00 0.00 175.35 174.77 2bkd n LEU 131 N 5.24 -5.76 -1.92 5.43 7.94 -1.26 -4.92 117.00 121.74 2bkd n LEU 131 Ca -0.10 3.10 -0.01 0.00 -1.11 0.00 0.00 56.01 57.88 2bkd n LEU 131 Cb 0.47 -3.10 0.00 0.00 0.53 0.00 0.00 43.42 41.33 2bkd n LEU 131 CO 0.42 -1.95 0.05 -0.67 -1.11 0.00 0.00 177.39 174.12 2bkd n ASP 132 N 1.93 -3.74 0.07 1.96 -0.08 -1.26 -5.03 116.55 110.40 2bkd n ASP 132 Ca 0.00 0.09 -0.13 0.00 -1.51 0.00 0.00 54.79 53.24 2bkd n ASP 132 Cb 0.00 -2.29 -0.09 0.00 2.34 0.00 0.00 41.12 41.09 2bkd n ASP 132 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2bkd h VAL 133 N 0.42 1.02 0.00 5.18 2.07 -1.91 -3.52 116.25 119.51 2bkd h VAL 133 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2bkd h VAL 133 Cb 0.56 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2bkd h VAL 133 CO 0.07 0.18 0.00 -0.81 0.02 0.00 0.00 177.57 177.03