#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd n GLU 2 N 0.00 2.57 -3.98 0.03 4.71 -1.26 -4.78 120.64 117.93 2bkd n GLU 2 Ca 0.00 -2.52 -0.31 0.00 -0.01 0.00 0.00 57.16 54.32 2bkd n GLU 2 Cb 0.00 -3.25 -0.15 0.00 -1.01 0.00 0.00 31.44 27.03 2bkd n GLU 2 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2bkd s GLU 3 N 3.81 1.56 -0.03 3.49 2.12 -1.26 -4.80 118.70 123.59 2bkd s GLU 3 Ca 0.51 -1.50 0.02 0.00 0.36 0.00 0.00 54.97 54.36 2bkd s GLU 3 Cb 0.12 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 2bkd s GLU 3 CO -0.02 -0.81 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.31 2bkd s LEU 4 N 1.13 3.14 -0.01 2.70 2.01 -1.14 -4.96 118.68 121.55 2bkd s LEU 4 Ca 0.04 -0.10 -0.29 0.00 0.01 0.00 0.00 54.13 53.78 2bkd s LEU 4 Cb -0.19 -1.75 -0.03 0.00 0.01 0.00 0.00 46.19 44.23 2bkd s LEU 4 CO -0.09 0.32 0.96 0.68 1.01 0.00 0.00 176.35 179.22 2bkd s VAL 5 N -0.91 4.88 0.18 -1.59 -7.23 -1.26 0.23 120.40 114.70 2bkd s VAL 5 Ca 0.15 2.01 0.08 0.00 -1.81 0.00 0.00 61.98 62.41 2bkd s VAL 5 Cb -0.11 -4.30 -0.04 0.00 0.56 0.00 0.00 36.38 32.49 2bkd s VAL 5 CO 0.05 0.16 -0.17 0.54 -0.31 0.00 0.00 175.10 175.37 2bkd s VAL 6 N 1.04 1.77 -0.20 1.32 0.11 -0.63 -4.62 120.40 119.18 2bkd s VAL 6 Ca 0.51 -2.02 0.02 0.00 -2.93 0.00 0.00 61.98 57.55 2bkd s VAL 6 Cb -0.21 -1.90 0.03 0.00 -1.53 0.00 0.00 36.38 32.77 2bkd s VAL 6 CO 0.27 -0.43 -0.17 -0.70 -3.33 0.00 0.00 175.10 170.74 2bkd s GLU 7 N -3.12 2.74 0.22 1.54 2.12 -0.79 -1.69 118.70 119.72 2bkd s GLU 7 Ca 0.18 -0.98 0.10 0.00 0.36 0.00 0.00 54.97 54.63 2bkd s GLU 7 Cb -0.04 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.65 2bkd s GLU 7 CO 0.07 -0.32 -0.19 0.14 -0.54 0.00 0.00 175.26 174.42 2bkd s VAL 8 N 1.24 2.11 0.33 3.70 -7.23 0.13 -0.89 120.40 119.78 2bkd s VAL 8 Ca 0.01 -2.18 -0.26 0.00 -1.81 0.00 0.00 61.98 57.73 2bkd s VAL 8 Cb -0.15 -2.10 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 2bkd s VAL 8 CO -0.11 -0.38 0.99 -0.13 -0.31 0.00 0.00 175.10 175.16 2bkd s ARG 9 N -3.24 4.52 0.13 4.82 3.00 0.38 -1.07 118.95 127.49 2bkd s ARG 9 Ca 0.23 1.46 -0.01 0.00 0.00 0.00 0.00 55.73 57.41 2bkd s ARG 9 Cb -0.05 -2.85 0.00 0.00 0.00 0.00 0.00 34.95 32.06 2bkd s ARG 9 CO 0.10 0.20 0.18 0.41 0.00 0.00 0.00 175.30 176.19 2bkd n GLY 10 N 0.70 2.76 3.57 -3.53 0.00 -1.26 -4.91 105.19 102.52 2bkd n GLY 10 Ca 0.02 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 2bkd n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bkd s SER 11 N -1.82 6.09 0.22 1.61 0.15 -1.26 -4.79 113.70 113.90 2bkd s SER 11 Ca 0.11 -1.86 -0.23 0.00 0.70 0.00 0.00 55.95 54.68 2bkd s SER 11 Cb -0.00 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2bkd s SER 11 CO 0.08 -1.93 0.88 0.21 1.20 0.00 0.00 173.24 173.67 2bkd s ASN 12 N 5.40 -0.17 0.03 5.45 3.84 -1.26 -5.05 114.94 123.18 2bkd s ASN 12 Ca 0.58 -0.56 0.22 0.00 0.21 0.00 0.00 52.86 53.31 2bkd s ASN 12 Cb 0.01 0.60 -0.19 0.00 -0.55 0.00 0.00 41.25 41.12 2bkd s ASN 12 CO 0.05 -1.13 0.74 0.61 -2.79 0.00 0.00 177.10 174.58 2bkd n GLY 13 N -0.49 -1.12 0.31 1.21 0.00 -1.26 -4.97 105.19 98.87 2bkd n GLY 13 Ca -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.06 0.05 -2.28 4.61 0.00 -1.26 -5.14 120.51 114.41 2bkd n ALA 14 Ca -0.01 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 2bkd n ALA 14 Cb 0.51 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.92 3.47 -0.11 0.00 0.40 -1.26 -4.70 117.98 114.86 2bkd s PHE 15 Ca 0.01 0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 57.22 2bkd s PHE 15 Cb -0.00 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 2bkd s PHE 15 CO 0.00 -0.01 0.07 0.71 0.70 0.00 0.00 175.22 176.69 2bkd s TYR 16 N -2.26 3.36 0.07 0.36 1.51 -0.23 -4.92 117.35 115.23 2bkd s TYR 16 Ca 0.49 0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 56.58 2bkd s TYR 16 Cb -0.10 -1.87 -0.07 0.00 -0.11 0.00 0.00 41.96 39.81 2bkd s TYR 16 CO 0.30 0.57 1.33 0.15 -1.11 0.00 0.00 175.55 176.80 2bkd s LYS 17 N -0.89 4.35 -0.11 -0.62 1.02 -1.26 -0.69 119.74 121.53 2bkd s LYS 17 Ca 0.14 1.96 -0.04 0.00 0.02 0.00 0.00 55.97 58.04 2bkd s LYS 17 Cb -0.12 -3.35 0.06 0.00 -0.52 0.00 0.00 37.83 33.90 2bkd s LYS 17 CO 0.03 -0.41 0.22 0.00 -0.92 0.00 0.00 175.35 174.27 2bkd s ALA 18 N 1.37 -0.41 -0.17 5.17 0.00 -0.68 -4.70 121.76 122.33 2bkd s ALA 18 Ca 0.63 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 2bkd s ALA 18 Cb -0.33 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 2bkd s ALA 18 CO 0.29 -0.59 -0.01 -0.06 0.00 0.00 0.00 175.76 175.38 2bkd s PHE 19 N 2.32 3.05 -0.08 0.00 0.08 0.01 -1.61 117.98 121.75 2bkd s PHE 19 Ca 0.01 -0.32 -0.30 0.00 0.12 0.00 0.00 56.93 56.45 2bkd s PHE 19 Cb -0.12 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 2bkd s PHE 19 CO -0.08 -0.09 1.42 0.08 -0.10 0.00 0.00 175.22 176.46 2bkd s VAL 20 N 0.59 3.91 -0.17 -0.44 1.01 0.14 -0.76 120.40 124.67 2bkd s VAL 20 Ca -0.01 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.98 2bkd s VAL 20 Cb -0.14 -3.75 -0.22 0.00 0.00 0.00 0.00 36.38 32.27 2bkd s VAL 20 CO 0.02 -0.07 0.25 1.17 0.00 0.00 0.00 175.10 176.47 2bkd n LYS 21 N 6.43 0.65 -3.72 2.72 0.00 -0.19 -2.88 118.16 121.16 2bkd n LYS 21 Ca 0.15 0.44 -0.10 0.00 0.00 0.00 0.00 58.31 58.79 2bkd n LYS 21 Cb 0.44 -1.72 -0.06 0.00 0.00 0.00 0.00 35.03 33.69 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 -6.95 -0.10 0.39 3.14 2.15 -0.51 -4.93 116.67 109.86 2bkd s ASP 22 Ca -0.27 -0.42 0.08 0.00 0.43 0.00 0.00 52.55 52.38 2bkd s ASP 22 Cb 0.06 0.41 -0.07 0.00 -0.30 0.00 0.00 42.92 43.03 2bkd s ASP 22 CO 0.66 -0.78 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.19 2bkd s VAL 23 N -3.67 2.12 -0.57 1.11 1.01 -1.26 -1.07 120.40 118.07 2bkd s VAL 23 Ca 0.03 -2.02 0.10 0.00 0.00 0.00 0.00 61.98 60.09 2bkd s VAL 23 Cb 0.03 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 2bkd s VAL 23 CO -0.11 -0.06 0.48 1.21 0.00 0.00 0.00 175.10 176.62 2bkd n GLU 25 N -0.95 3.31 -0.05 2.72 2.13 -1.26 -4.97 120.64 121.58 2bkd n GLU 25 Ca -0.05 -0.10 -0.05 0.00 0.66 0.00 0.00 57.16 57.62 2bkd n GLU 25 Cb 0.66 -1.01 -0.06 0.00 0.27 0.00 0.00 31.44 31.29 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 -1.09 2.97 -2.08 4.31 8.00 -1.26 -5.12 116.55 122.28 2bkd n ASP 26 Ca 0.02 -0.02 -0.06 0.00 0.71 0.00 0.00 54.79 55.45 2bkd n ASP 26 Cb 0.17 0.48 0.01 0.00 -0.02 0.00 0.00 41.12 41.76 2bkd n ASP 26 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bkd n SER 27 N -2.44 -1.21 -4.30 -2.24 7.64 -1.26 -4.82 113.62 104.98 2bkd n SER 27 Ca -0.15 -1.98 -0.32 0.00 1.01 0.00 0.00 58.87 57.42 2bkd n SER 27 Cb 0.76 2.06 -0.16 0.00 -1.01 0.00 0.00 64.21 65.86 2bkd n SER 27 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2bkd s ILE 28 N -2.52 2.37 -0.16 0.44 2.07 -0.32 -4.69 121.20 118.39 2bkd s ILE 28 Ca 0.11 -0.93 -0.01 0.00 -1.41 0.00 0.00 60.65 58.41 2bkd s ILE 28 Cb -0.02 -1.91 -0.01 0.00 0.13 0.00 0.00 42.46 40.64 2bkd s ILE 28 CO 0.08 0.56 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.68 2bkd s THR 29 N 0.04 3.15 0.14 4.00 2.01 -0.23 -1.06 115.64 123.69 2bkd s THR 29 Ca -0.08 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2bkd s THR 29 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 2bkd s THR 29 CO 0.05 0.50 0.08 0.68 -0.69 0.00 0.00 174.62 175.24 2bkd s VAL 30 N 0.69 0.09 0.00 3.82 -7.23 -0.42 -1.02 120.40 116.32 2bkd s VAL 30 Ca -0.05 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2bkd s VAL 30 Cb -0.15 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.71 2bkd s VAL 30 CO 0.02 -0.39 0.23 0.00 -0.31 0.00 0.00 175.10 174.64 2bkd s ALA 31 N -4.06 -0.54 0.22 1.32 0.00 0.06 -1.36 121.76 117.41 2bkd s ALA 31 Ca 0.25 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 2bkd s ALA 31 Cb 0.07 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 2bkd s ALA 31 CO 0.03 -0.27 0.55 -0.06 0.00 0.00 0.00 175.76 176.01 2bkd s PHE 32 N -1.62 3.45 -0.18 0.00 0.08 -1.13 -0.81 117.98 117.77 2bkd s PHE 32 Ca -0.12 0.90 -0.34 0.00 0.12 0.00 0.00 56.93 57.48 2bkd s PHE 32 Cb -0.05 -2.27 -0.11 0.00 -0.57 0.00 0.00 43.02 40.02 2bkd s PHE 32 CO 0.02 0.29 1.99 -1.91 -0.10 0.00 0.00 175.22 175.51 2bkd n GLU 33 N 0.00 1.84 -1.35 0.44 2.13 -1.26 -4.63 120.64 117.80 2bkd n GLU 33 Ca -0.00 0.63 -0.41 0.00 0.66 0.00 0.00 57.16 58.03 2bkd n GLU 33 Cb 0.52 -2.65 -0.03 0.00 0.27 0.00 0.00 31.44 29.55 2bkd n GLU 33 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2bkd n ASN 34 N 7.97 3.61 -0.04 4.31 6.94 -1.26 -4.14 115.26 132.65 2bkd n ASN 34 Ca 0.28 -2.71 0.04 0.00 -0.02 0.00 0.00 54.58 52.17 2bkd n ASN 34 Cb 0.29 -1.35 -0.04 0.00 -2.36 0.00 0.00 39.78 36.32 2bkd n ASN 34 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2bkd n ASN 35 N 6.44 0.54 0.04 0.53 3.02 -1.26 -4.98 115.26 119.60 2bkd n ASN 35 Ca 0.52 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2bkd n ASN 35 Cb 0.37 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 2bkd n ASN 35 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 2bkd n TRP 36 N -1.01 -2.63 -4.53 3.10 4.27 -1.26 -5.14 117.44 110.24 2bkd n TRP 36 Ca 0.02 0.29 -0.33 0.00 -3.89 0.00 0.00 57.50 53.59 2bkd n TRP 36 Cb 0.14 1.12 -0.14 0.00 -1.36 0.00 0.00 31.31 31.07 2bkd n TRP 36 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2bkd s GLN 37 N -1.19 3.41 0.00 -2.67 -0.44 -1.26 -5.10 119.66 112.41 2bkd s GLN 37 Ca 0.00 -0.66 0.00 0.00 -2.50 0.00 0.00 55.36 52.20 2bkd s GLN 37 Cb 0.00 -2.74 0.00 0.00 -1.64 0.00 0.00 33.01 28.63 2bkd s GLN 37 CO 0.00 0.12 0.00 -0.35 0.50 0.00 0.00 175.29 175.56 2bkd n PRO 38 N 3.81 0.00 -2.71 1.67 -0.04 -1.26 -3.10 135.00 133.37 2bkd n PRO 38 Ca -0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2bkd n PRO 38 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 2bkd n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2bkd s ASP 39 N -1.00 7.34 0.00 3.54 -1.08 -1.26 -2.86 116.67 121.35 2bkd s ASP 39 Ca 0.00 1.62 -0.09 0.00 -0.52 0.00 0.00 52.55 53.57 2bkd s ASP 39 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2bkd s ASP 39 CO 0.00 -0.31 0.17 -0.60 0.52 0.00 0.00 175.17 174.95 2bkd s ARG 40 N 1.28 0.53 -0.11 4.34 3.00 -0.46 -5.00 118.95 122.52 2bkd s ARG 40 Ca 0.51 -0.39 0.03 0.00 -1.00 0.00 0.00 55.73 54.88 2bkd s ARG 40 Cb -0.20 0.22 0.01 0.00 0.00 0.00 0.00 34.95 34.98 2bkd s ARG 40 CO 0.25 -0.13 -0.20 -1.14 0.00 0.00 0.00 175.30 174.09 2bkd s GLN 41 N -1.46 2.63 -0.00 5.12 0.74 -1.26 -1.31 119.66 124.12 2bkd s GLN 41 Ca -0.14 -0.72 0.08 0.00 0.05 0.00 0.00 55.36 54.62 2bkd s GLN 41 Cb -0.07 -2.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 2bkd s GLN 41 CO 0.02 0.06 -0.24 0.42 -0.55 0.00 0.00 175.29 174.99 2bkd s ILE 42 N 0.65 1.92 0.61 -2.34 1.01 -0.22 -4.97 121.20 117.86 2bkd s ILE 42 Ca -0.13 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 2bkd s ILE 42 Cb -0.16 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2bkd s ILE 42 CO 0.03 0.49 1.04 -2.16 0.00 0.00 0.00 174.94 174.34 2bkd s PRO 43 N -0.71 3.42 0.00 2.79 0.04 -1.26 -1.18 135.00 138.09 2bkd s PRO 43 Ca 0.10 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2bkd s PRO 43 Cb -0.09 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2bkd s PRO 43 CO -0.00 -0.72 0.04 1.19 0.04 0.00 0.00 177.00 177.55 2bkd n PHE 44 N -2.36 0.00 0.00 0.56 3.72 -1.26 -3.10 117.46 115.02 2bkd n PHE 44 Ca 0.07 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2bkd n PHE 44 Cb 0.54 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.76 0.00 -4.87 4.37 8.00 -1.26 -4.58 116.55 119.96 2bkd n ASP 46 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 2bkd n ASP 46 Cb 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 2bkd n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bkd s VAL 47 N 0.00 5.30 -0.10 2.53 1.01 -1.18 -0.47 120.40 127.48 2bkd s VAL 47 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2bkd s VAL 47 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2bkd s VAL 47 CO 0.00 0.49 -0.11 -0.60 0.00 0.00 0.00 175.10 174.88 2bkd s ARG 48 N -1.38 1.80 -0.37 2.72 6.06 -0.07 -4.86 118.95 122.85 2bkd s ARG 48 Ca 0.23 -0.40 -0.23 0.00 -2.50 0.00 0.00 55.73 52.83 2bkd s ARG 48 Cb -0.14 -1.65 0.01 0.00 0.06 0.00 0.00 34.95 33.23 2bkd s ARG 48 CO 0.12 -0.14 0.77 -0.06 -2.50 0.00 0.00 175.30 173.49 2bkd s PHE 49 N 1.23 3.11 -0.31 5.12 0.08 -1.26 -1.89 117.98 124.06 2bkd s PHE 49 Ca -0.03 0.51 -0.28 0.00 0.12 0.00 0.00 56.93 57.25 2bkd s PHE 49 Cb -0.14 -3.38 -0.03 0.00 -0.57 0.00 0.00 43.02 38.90 2bkd s PHE 49 CO -0.04 -0.73 1.92 -1.25 -0.10 0.00 0.00 175.22 175.02 2bkd s PRO 50 N 3.06 3.24 0.53 0.24 0.04 -1.26 -4.63 135.00 136.21 2bkd s PRO 50 Ca 0.30 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.75 2bkd s PRO 50 Cb -0.13 -4.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.09 2bkd s PRO 50 CO 0.17 -1.97 0.97 -1.25 0.04 0.00 0.00 177.00 174.96 2bkd s PRO 51 N 5.92 3.84 1.02 0.56 0.04 -1.26 -4.90 135.00 140.22 2bkd s PRO 51 Ca 0.85 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 2bkd s PRO 51 Cb -0.25 -2.15 0.23 0.00 0.04 0.00 0.00 34.50 32.37 2bkd s PRO 51 CO 0.33 -0.32 1.29 -1.25 0.04 0.00 0.00 177.00 177.09 2bkd s PRO 52 N -4.34 0.15 0.03 0.56 0.04 -1.26 -5.00 135.00 125.17 2bkd s PRO 52 Ca 0.57 -0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.06 2bkd s PRO 52 Cb -0.10 -1.79 -0.29 0.00 0.04 0.00 0.00 34.50 32.37 2bkd s PRO 52 CO 0.37 -2.75 1.06 0.28 0.04 0.00 0.00 177.00 176.00 2bkd h VAL 53 N -1.88 1.35 0.00 -0.36 2.07 -2.01 -3.47 116.25 111.94 2bkd h VAL 53 Ca -0.44 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 64.67 2bkd h VAL 53 Cb 1.24 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2bkd h VAL 53 CO 0.35 0.72 0.00 0.61 0.02 0.00 0.00 177.57 179.27 2bkd n GLY 54 N 1.38 -1.78 1.63 2.17 0.00 -1.26 -5.16 105.19 102.17 2bkd n GLY 54 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2bkd n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bkd n TYR 55 N -3.10 -4.14 0.00 1.61 4.01 -1.26 -5.12 117.16 109.17 2bkd n TYR 55 Ca 0.00 2.20 0.00 0.00 -0.16 0.00 0.00 57.90 59.94 2bkd n TYR 55 Cb 0.00 -3.38 0.00 0.00 -0.31 0.00 0.00 39.34 35.65 2bkd n TYR 55 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2bkd n ASN 56 N 0.54 0.00 0.00 7.72 4.13 -1.26 -5.16 115.26 121.23 2bkd n ASN 56 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2bkd n ASN 56 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2bkd n ASN 56 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2bkd n LYS 57 N 0.00 3.21 -1.96 3.52 4.76 -1.26 -5.13 118.16 121.30 2bkd n LYS 57 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 2bkd n LYS 57 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 2bkd n LYS 57 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bkd s ASP 58 N 1.00 6.25 0.47 4.39 2.15 -1.26 -4.97 116.67 124.70 2bkd s ASP 58 Ca 0.00 1.38 -0.23 0.00 0.43 0.00 0.00 52.55 54.13 2bkd s ASP 58 Cb 0.00 -2.45 -0.07 0.00 -0.30 0.00 0.00 42.92 40.10 2bkd s ASP 58 CO 0.00 -0.83 1.27 -0.63 -0.17 0.00 0.00 175.17 174.80 2bkd s ILE 59 N -3.12 2.64 0.29 4.11 -1.09 -1.26 -5.03 121.20 117.75 2bkd s ILE 59 Ca 0.55 0.50 0.10 0.00 -2.23 0.00 0.00 60.65 59.57 2bkd s ILE 59 Cb -0.11 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 2bkd s ILE 59 CO 0.52 0.02 -0.08 0.20 -1.23 0.00 0.00 174.94 174.37 2bkd s ASN 60 N -1.05 4.05 -0.05 3.58 0.02 -1.26 -5.05 114.94 115.17 2bkd s ASN 60 Ca 0.64 -0.90 0.08 0.00 -1.02 0.00 0.00 52.86 51.66 2bkd s ASN 60 Cb -0.35 -0.54 -0.24 0.00 0.02 0.00 0.00 41.25 40.14 2bkd s ASN 60 CO 0.43 -0.04 0.62 -0.33 0.02 0.00 0.00 177.10 177.79 2bkd h GLU 61 N 2.03 0.06 0.00 -0.60 5.08 -1.95 -3.40 114.58 115.80 2bkd h GLU 61 Ca -0.42 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 57.60 2bkd h GLU 61 Cb 1.25 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2bkd h GLU 61 CO 0.62 0.67 -1.65 0.45 -1.00 0.00 0.00 179.01 178.10 2bkd n SER 62 N -3.16 0.74 -0.46 1.42 2.88 -1.26 -4.27 113.62 109.52 2bkd n SER 62 Ca -0.20 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2bkd n SER 62 Cb 1.05 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 2bkd n SER 62 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2bkd n ASP 63 N -2.91 0.00 -4.96 -3.46 9.92 -1.26 -4.60 116.55 109.27 2bkd n ASP 63 Ca -0.15 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 53.91 2bkd n ASP 63 Cb 0.94 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.41 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2bkd s GLU 64 N 3.40 3.27 0.19 -1.24 0.41 -1.26 -1.47 118.70 121.99 2bkd s GLU 64 Ca 0.00 -0.89 -0.02 0.00 -0.41 0.00 0.00 54.97 53.65 2bkd s GLU 64 Cb 0.00 -2.83 -0.04 0.00 -1.78 0.00 0.00 34.13 29.49 2bkd s GLU 64 CO 0.00 0.28 0.15 0.14 -0.49 0.00 0.00 175.26 175.34 2bkd s VAL 65 N -2.07 0.02 -0.11 2.63 -7.23 0.14 -4.86 120.40 108.93 2bkd s VAL 65 Ca 0.38 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2bkd s VAL 65 Cb -0.09 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2bkd s VAL 65 CO 0.29 -0.11 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.29 2bkd s GLU 66 N -4.12 3.20 -0.09 4.82 2.02 -0.54 -1.04 118.70 122.95 2bkd s GLU 66 Ca 0.33 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.78 2bkd s GLU 66 Cb 0.06 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 2bkd s GLU 66 CO 0.09 0.41 -0.21 0.14 0.02 0.00 0.00 175.26 175.71 2bkd s VAL 67 N -0.13 2.33 -0.08 2.63 -7.23 0.05 -1.01 120.40 116.96 2bkd s VAL 67 Ca 0.01 -0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 2bkd s VAL 67 Cb -0.13 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 2bkd s VAL 67 CO 0.03 0.56 0.27 -0.47 -0.31 0.00 0.00 175.10 175.18 2bkd s TYR 68 N 0.10 3.63 0.15 2.82 5.04 -1.19 -1.12 117.35 126.77 2bkd s TYR 68 Ca -0.10 0.72 0.07 0.00 -2.44 0.00 0.00 57.07 55.32 2bkd s TYR 68 Cb -0.16 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.97 2bkd s TYR 68 CO 0.06 0.62 -0.15 -1.12 -1.34 0.00 0.00 175.55 173.62 2bkd s SER 69 N -0.80 2.24 0.36 4.32 0.01 -0.81 -4.60 113.70 114.42 2bkd s SER 69 Ca 0.19 -0.87 -0.27 0.00 1.31 0.00 0.00 55.95 56.30 2bkd s SER 69 Cb -0.14 -0.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.90 2bkd s SER 69 CO 0.08 -0.14 1.17 0.00 0.41 0.00 0.00 173.24 174.76 2bkd s ARG 70 N -2.94 4.26 0.52 12.44 3.03 -1.26 -4.88 118.95 130.12 2bkd s ARG 70 Ca 0.13 1.88 0.36 0.00 2.03 0.00 0.00 55.73 60.13 2bkd s ARG 70 Cb -0.04 -2.87 1.51 0.00 -1.03 0.00 0.00 34.95 32.53 2bkd s ARG 70 CO 0.04 -0.15 1.75 0.00 -1.13 0.00 0.00 175.30 175.81 2bkd h ALA 71 N 3.06 3.09 -3.00 7.88 0.00 -2.01 -3.23 119.26 125.06 2bkd h ALA 71 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2bkd h ALA 71 Cb 1.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2bkd h ALA 71 CO 0.64 -1.50 0.00 0.09 0.00 0.00 0.00 179.25 178.48 2bkd n ASN 72 N -4.24 0.00 0.00 0.00 5.03 -1.26 -5.14 115.26 109.65 2bkd n ASN 72 Ca 0.29 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.74 2bkd n ASN 72 Cb 1.33 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 40.09 2bkd n ASN 72 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2bkd n GLU 73 N 0.00 0.00 -3.81 3.52 0.28 -1.22 -4.96 120.64 114.46 2bkd n GLU 73 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 2bkd n GLU 73 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 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 0.00 -1.03 -1.98 3.44 3.00 -1.26 -3.59 118.16 116.75 2bkd n LYS 74 Ca 0.00 0.54 -0.01 0.00 -0.00 0.00 0.00 58.31 58.84 2bkd n LYS 74 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 35.03 32.04 2bkd n LYS 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2bkd n GLU 75 N -3.66 -0.51 -2.67 1.64 1.02 -1.26 -4.99 120.64 110.22 2bkd n GLU 75 Ca -0.18 0.87 -0.39 0.00 -0.02 0.00 0.00 57.16 57.43 2bkd n GLU 75 Cb 0.61 -2.85 -0.05 0.00 -0.02 0.00 0.00 31.44 29.13 2bkd n GLU 75 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bkd s PRO 76 N -2.61 4.72 -0.03 3.49 0.04 -1.24 -4.94 135.00 134.43 2bkd s PRO 76 Ca 0.02 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.65 2bkd s PRO 76 Cb -0.01 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2bkd s PRO 76 CO 0.24 0.37 0.02 0.00 0.04 0.00 0.00 177.00 177.67 2bkd n TRP 79 N 1.20 1.95 -1.12 0.00 -0.00 -1.22 -1.93 117.44 116.33 2bkd n TRP 79 Ca 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 57.50 55.65 2bkd n TRP 79 Cb 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 31.31 30.61 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 177.69 178.60 2bkd n TRP 80 N -1.09 0.00 -3.11 5.87 8.01 -0.28 -4.73 117.44 122.11 2bkd n TRP 80 Ca 0.44 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.24 2bkd n TRP 80 Cb 1.19 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 30.43 2bkd n TRP 80 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2bkd s LEU 81 N 0.00 4.48 0.10 -0.99 2.01 -1.26 -0.77 118.68 122.24 2bkd s LEU 81 Ca 0.00 1.35 0.04 0.00 0.01 0.00 0.00 54.13 55.52 2bkd s LEU 81 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 46.19 43.09 2bkd s LEU 81 CO 0.00 0.12 -0.10 0.00 1.01 0.00 0.00 176.35 177.39 2bkd s ALA 82 N -0.47 1.10 -0.14 4.21 0.00 -0.21 -3.25 121.76 123.00 2bkd s ALA 82 Ca 0.34 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2bkd s ALA 82 Cb -0.20 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2bkd s ALA 82 CO 0.21 -0.05 -0.07 0.15 0.00 0.00 0.00 175.76 175.99 2bkd s LYS 83 N -2.86 3.49 -0.07 0.00 3.01 -0.11 -0.68 119.74 122.51 2bkd s LYS 83 Ca 0.06 -0.58 -0.20 0.00 -1.01 0.00 0.00 55.97 54.24 2bkd s LYS 83 Cb -0.02 -2.78 -0.04 0.00 -1.01 0.00 0.00 37.83 33.97 2bkd s LYS 83 CO -0.00 0.27 0.55 0.08 0.51 0.00 0.00 175.35 176.76 2bkd s VAL 84 N 0.25 5.09 -0.19 3.17 1.01 -0.54 -0.53 120.40 128.65 2bkd s VAL 84 Ca -0.05 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.93 2bkd s VAL 84 Cb -0.15 -3.89 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 2bkd s VAL 84 CO 0.04 0.34 0.14 -1.14 0.00 0.00 0.00 175.10 174.48 2bkd n ARG 85 N 3.39 0.66 -3.77 2.72 0.00 0.58 -4.53 116.66 115.70 2bkd n ARG 85 Ca -0.06 0.36 -0.09 0.00 -0.00 0.00 0.00 57.85 58.05 2bkd n ARG 85 Cb 0.51 -1.67 -0.04 0.00 0.00 0.00 0.00 32.46 31.27 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 -2.48 1.44 -0.13 -0.14 0.23 -1.23 -4.88 119.30 112.11 2bkd s MET 86 Ca -0.28 -0.91 0.01 0.00 -1.03 0.00 0.00 55.69 53.48 2bkd s MET 86 Cb 0.08 0.53 -0.00 0.00 -1.53 0.00 0.00 34.83 33.90 2bkd s MET 86 CO 0.65 -0.62 -0.17 0.42 -2.03 0.00 0.00 175.02 173.27 2bkd s ILE 87 N -3.89 2.56 -0.47 3.16 1.01 -1.26 -1.65 121.20 120.66 2bkd s ILE 87 Ca 0.11 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2bkd s ILE 87 Cb -0.01 -2.05 0.13 0.00 0.01 0.00 0.00 42.46 40.54 2bkd s ILE 87 CO -0.01 0.53 0.25 -0.54 0.00 0.00 0.00 174.94 175.17 2bkd s LYS 88 N 0.59 1.51 3.19 2.79 1.02 0.71 -5.01 119.74 124.53 2bkd s LYS 88 Ca -0.10 -2.21 0.00 0.00 0.02 0.00 0.00 55.97 53.68 2bkd s LYS 88 Cb -0.16 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2bkd s LYS 88 CO 0.03 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 173.72 2bkd n GLY 89 N 3.38 0.95 0.09 -3.33 0.00 -1.26 -1.51 105.19 103.50 2bkd n GLY 89 Ca 0.08 0.40 -0.07 0.00 0.00 0.00 0.00 46.02 46.44 2bkd n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bkd n GLU 90 N 0.00 0.64 -3.93 1.61 4.07 -1.26 -4.95 120.64 116.83 2bkd n GLU 90 Ca 0.00 0.19 -0.36 0.00 -0.06 0.00 0.00 57.16 56.93 2bkd n GLU 90 Cb 0.00 -1.72 -0.06 0.00 -0.06 0.00 0.00 31.44 29.60 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2bkd s PHE 91 N -2.66 3.55 -0.07 4.31 0.08 -0.57 -4.18 117.98 118.44 2bkd s PHE 91 Ca -0.06 0.46 0.03 0.00 0.12 0.00 0.00 56.93 57.48 2bkd s PHE 91 Cb 0.08 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2bkd s PHE 91 CO 0.83 0.70 -0.15 0.71 -0.10 0.00 0.00 175.22 177.20 2bkd s TYR 92 N -1.07 1.72 -0.24 0.36 1.51 -0.07 -0.21 117.35 119.35 2bkd s TYR 92 Ca 0.17 -0.65 -0.15 0.00 -1.01 0.00 0.00 57.07 55.43 2bkd s TYR 92 Cb -0.12 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 2bkd s TYR 92 CO 0.07 -0.30 0.35 0.08 -1.11 0.00 0.00 175.55 174.64 2bkd s VAL 93 N 0.56 5.21 -0.09 0.71 1.01 -0.66 -1.50 120.40 125.64 2bkd s VAL 93 Ca -0.15 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2bkd s VAL 93 Cb -0.16 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2bkd s VAL 93 CO 0.05 0.22 -0.19 0.27 0.00 0.00 0.00 175.10 175.44 2bkd s ILE 94 N 1.65 2.54 -0.24 2.22 -0.00 0.02 -0.31 121.20 127.08 2bkd s ILE 94 Ca 0.15 -0.87 -0.10 0.00 -0.00 0.00 0.00 60.65 59.83 2bkd s ILE 94 Cb -0.15 -1.99 -0.05 0.00 -0.00 0.00 0.00 42.46 40.27 2bkd s ILE 94 CO 0.08 0.56 0.15 -1.61 -0.00 0.00 0.00 174.94 174.12 2bkd s GLU 95 N -0.00 4.01 0.03 0.37 2.02 0.31 -1.73 118.70 123.70 2bkd s GLU 95 Ca -0.06 -0.30 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 2bkd s GLU 95 Cb -0.15 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 2bkd s GLU 95 CO 0.05 0.02 0.25 0.71 0.02 0.00 0.00 175.26 176.30 2bkd s TYR 96 N 1.17 3.55 0.04 1.61 2.02 -1.26 -0.94 117.35 123.54 2bkd s TYR 96 Ca 0.07 0.46 -0.10 0.00 -0.37 0.00 0.00 57.07 57.13 2bkd s TYR 96 Cb -0.14 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 2bkd s TYR 96 CO 0.05 0.60 0.36 0.00 -1.57 0.00 0.00 175.55 174.99 2bkd s ALA 97 N -1.39 3.75 0.00 3.71 0.00 -1.20 -4.97 121.76 121.67 2bkd s ALA 97 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2bkd s ALA 97 Cb -0.13 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2bkd s ALA 97 CO 0.20 0.57 0.00 0.00 0.00 0.00 0.00 175.76 176.53 2bkd n ALA 98 N 1.15 0.00 -0.91 0.00 0.00 -1.26 -4.87 120.51 114.62 2bkd n ALA 98 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2bkd n ALA 98 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2bkd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkd n ASP 100 N -2.72 0.00 -4.04 0.00 8.00 -1.26 -4.90 116.55 111.63 2bkd n ASP 100 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2bkd n ASP 100 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bkd n ALA 101 N -3.00 4.86 -2.63 2.24 0.00 -1.26 -4.96 120.51 115.75 2bkd n ALA 101 Ca 0.00 -4.06 -0.39 0.00 0.00 0.00 0.00 53.44 48.99 2bkd n ALA 101 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 19.45 16.09 2bkd n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2bkd s THR 102 N 2.29 5.00 0.00 0.00 -4.23 -1.26 -4.98 115.64 112.47 2bkd s THR 102 Ca 0.45 1.35 0.00 0.00 -1.18 0.00 0.00 61.69 62.32 2bkd s THR 102 Cb 0.08 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.93 2bkd s THR 102 CO -0.02 0.31 0.00 0.00 -0.54 0.00 0.00 174.62 174.37 2bkd n TYR 103 N 3.43 0.00 -3.40 3.99 4.11 -1.26 -5.04 117.16 119.00 2bkd n TYR 103 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.88 2bkd n TYR 103 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.82 2bkd n TYR 103 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2bkd s ASN 104 N 1.00 -1.12 -0.03 9.48 2.20 -1.26 -4.82 114.94 120.38 2bkd s ASN 104 Ca 0.00 1.13 0.07 0.00 -0.94 0.00 0.00 52.86 53.12 2bkd s ASN 104 Cb 0.00 2.12 -0.02 0.00 -2.00 0.00 0.00 41.25 41.35 2bkd s ASN 104 CO 0.00 -0.21 -0.24 -1.61 -2.94 0.00 0.00 177.10 172.09 2bkd s GLU 105 N 2.84 2.16 -0.23 3.55 2.02 -0.71 -4.94 118.70 123.39 2bkd s GLU 105 Ca 0.05 -0.88 -0.15 0.00 0.02 0.00 0.00 54.97 54.01 2bkd s GLU 105 Cb -0.12 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 2bkd s GLU 105 CO -0.19 0.47 0.37 0.96 0.02 0.00 0.00 175.26 176.89 2bkd s ILE 106 N -0.42 5.21 0.19 -1.63 -4.36 -1.26 -0.80 121.20 118.13 2bkd s ILE 106 Ca 0.05 0.61 -0.00 0.00 -0.26 0.00 0.00 60.65 61.05 2bkd s ILE 106 Cb -0.11 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 39.86 2bkd s ILE 106 CO 0.01 0.23 0.09 -0.69 0.24 0.00 0.00 174.94 174.82 2bkd s VAL 107 N 1.53 0.21 0.39 8.37 1.01 -0.56 -4.96 120.40 126.38 2bkd s VAL 107 Ca 0.17 -1.98 0.08 0.00 0.00 0.00 0.00 61.98 60.25 2bkd s VAL 107 Cb -0.15 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2bkd s VAL 107 CO 0.08 -0.15 0.17 0.42 0.00 0.00 0.00 175.10 175.62 2bkd s THR 108 N -4.00 2.57 0.07 3.92 -4.23 -1.26 -0.90 115.64 111.80 2bkd s THR 108 Ca 0.34 -1.69 0.23 0.00 -1.18 0.00 0.00 61.69 59.39 2bkd s THR 108 Cb 0.07 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 71.17 2bkd s THR 108 CO 0.09 -0.07 1.67 -0.29 -0.54 0.00 0.00 174.62 175.48 2bkd h ILE 109 N 1.46 0.00 -0.79 2.99 6.09 -1.90 -2.16 117.51 123.20 2bkd h ILE 109 Ca -0.43 0.00 0.10 0.00 -1.37 0.00 0.00 64.86 63.16 2bkd h ILE 109 Cb 1.25 0.51 -0.05 0.00 0.47 0.00 0.00 36.82 39.00 2bkd h ILE 109 CO 0.67 0.00 0.52 -0.08 -3.07 0.00 0.00 178.15 176.18 2bkd h GLU 110 N 0.00 0.68 -0.09 2.19 4.81 -1.95 -2.94 114.58 117.29 2bkd h GLU 110 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2bkd h GLU 110 Cb 0.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2bkd h GLU 110 CO 0.00 0.45 0.00 0.54 -0.73 0.00 0.00 179.01 179.27 2bkd n ARG 111 N -4.51 1.00 -4.03 1.92 1.74 -0.81 -4.99 116.66 106.98 2bkd n ARG 111 Ca 0.13 -1.29 -0.36 0.00 -0.77 0.00 0.00 57.85 55.56 2bkd n ARG 111 Cb 0.34 -1.18 -0.07 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.82 4.14 -0.03 0.55 1.43 -1.11 -3.19 118.68 119.65 2bkd s LEU 112 Ca 0.13 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2bkd s LEU 112 Cb 0.08 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2bkd s LEU 112 CO 0.12 0.40 -0.10 -0.60 0.23 0.00 0.00 176.35 176.39 2bkd s ARG 113 N -0.96 1.13 -0.37 1.70 3.52 -0.18 -4.88 118.95 118.91 2bkd s ARG 113 Ca 0.14 -0.34 0.09 0.00 -0.13 0.00 0.00 55.73 55.49 2bkd s ARG 113 Cb -0.12 -1.03 0.35 0.00 -1.56 0.00 0.00 34.95 32.59 2bkd s ARG 113 CO 0.03 0.11 1.34 0.43 -0.81 0.00 0.00 175.30 176.40 2bkd n SER 114 N 3.37 -1.70 -3.45 -2.12 7.64 -1.26 -1.47 113.62 114.63 2bkd n SER 114 Ca -0.19 -2.29 -0.17 0.00 1.01 0.00 0.00 58.87 57.23 2bkd n SER 114 Cb 0.54 0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 64.56 2bkd n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bkd s VAL 115 N 0.16 -0.37 -0.32 0.44 1.01 -1.26 -4.99 120.40 115.07 2bkd s VAL 115 Ca 0.17 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2bkd s VAL 115 Cb 0.36 -0.81 0.19 0.00 0.00 0.00 0.00 36.38 36.12 2bkd s VAL 115 CO -0.09 -0.30 1.06 0.54 0.00 0.00 0.00 175.10 176.31 2bkd s ASN 116 N 2.36 -0.30 -1.01 3.32 4.22 -1.26 -5.05 114.94 117.21 2bkd s ASN 116 Ca 0.09 -0.13 -0.07 0.00 -2.14 0.00 0.00 52.86 50.61 2bkd s ASN 116 Cb -0.15 0.49 -0.04 0.00 1.28 0.00 0.00 41.25 42.83 2bkd s ASN 116 CO -0.20 -0.04 2.90 -0.81 -2.04 0.00 0.00 177.10 176.91 2bkd n PRO 117 N 3.86 3.42 -2.67 3.55 -0.04 -1.26 -4.83 135.00 137.02 2bkd n PRO 117 Ca 0.06 -2.36 -0.33 0.00 -0.04 0.00 0.00 63.50 60.83 2bkd n PRO 117 Cb 0.63 -2.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 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 1.29 6.73 0.34 3.54 4.22 -1.26 -4.93 114.94 124.88 2bkd s ASN 118 Ca 0.63 1.72 -0.05 0.00 -2.14 0.00 0.00 52.86 53.02 2bkd s ASN 118 Cb 0.24 -2.54 -0.05 0.00 1.28 0.00 0.00 41.25 40.19 2bkd s ASN 118 CO -0.09 -0.51 0.61 -0.54 -2.04 0.00 0.00 177.10 174.54 2bkd s LYS 119 N -3.36 3.61 0.22 3.55 1.02 -1.26 -4.92 119.74 118.59 2bkd s LYS 119 Ca 0.63 0.03 -0.04 0.00 0.02 0.00 0.00 55.97 56.61 2bkd s LYS 119 Cb -0.11 -2.58 0.06 0.00 -0.52 0.00 0.00 37.83 34.68 2bkd s LYS 119 CO 0.18 0.11 0.15 -2.30 -0.92 0.00 0.00 175.35 172.57 2bkd n PRO 120 N -1.33 -1.98 -0.67 -1.68 -0.02 -1.26 -4.78 135.00 123.27 2bkd n PRO 120 Ca -0.01 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 2bkd n PRO 120 Cb 0.54 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 2bkd n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bkd n ALA 121 N -3.39 0.00 -0.46 3.55 0.00 -1.26 -3.29 120.51 115.67 2bkd n ALA 121 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2bkd n ALA 121 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.77 0.00 -0.22 0.00 -2.24 -1.26 -2.62 114.28 107.16 2bkd n THR 122 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2bkd n THR 122 Cb 0.00 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 2bkd n THR 122 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2bkd h LYS 123 N 0.00 1.07 0.00 -0.78 2.10 -1.99 -2.72 116.57 114.25 2bkd h LYS 123 Ca 0.00 -0.28 -0.10 0.00 -2.00 0.00 0.00 60.65 58.26 2bkd h LYS 123 Cb 0.00 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.19 2bkd h LYS 123 CO 0.00 0.98 -0.50 -0.44 -2.00 0.00 0.00 179.45 177.50 2bkd h ASP 124 N 1.00 0.00 -0.05 7.07 3.32 -1.73 -3.01 116.42 123.03 2bkd h ASP 124 Ca 0.20 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 2bkd h ASP 124 Cb 0.43 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.99 2bkd h ASP 124 CO 0.01 0.50 -0.52 0.71 -1.72 0.00 0.00 179.24 178.22 2bkd h THR 125 N 0.00 1.40 -0.64 0.35 1.35 -1.54 -3.45 112.91 110.38 2bkd h THR 125 Ca -0.00 -1.93 -0.45 0.00 -0.55 0.00 0.00 66.41 63.47 2bkd h THR 125 Cb 1.02 2.40 -0.12 0.00 -1.73 0.00 0.00 68.15 69.72 2bkd h THR 125 CO 0.06 0.57 0.76 0.49 -0.25 0.00 0.00 175.52 177.15 2bkd n PHE 126 N -4.25 1.31 -3.33 4.73 3.01 -1.03 -4.98 117.46 112.92 2bkd n PHE 126 Ca -0.09 -2.04 -0.22 0.00 1.01 0.00 0.00 57.45 56.12 2bkd n PHE 126 Cb 0.62 -1.62 -0.08 0.00 -0.01 0.00 0.00 39.48 38.38 2bkd n PHE 126 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2bkd s LYS 128 N -0.40 0.76 -0.19 -1.08 2.47 -1.26 -5.09 119.74 114.95 2bkd s LYS 128 Ca 0.62 -1.43 -0.07 0.00 -1.56 0.00 0.00 55.97 53.53 2bkd s LYS 128 Cb 0.32 -1.01 -0.04 0.00 -1.46 0.00 0.00 37.83 35.64 2bkd s LYS 128 CO -0.12 -1.28 0.05 0.42 0.16 0.00 0.00 175.35 174.58 2bkd s ILE 129 N 0.80 4.57 0.29 5.43 1.01 -1.26 -5.10 121.20 126.93 2bkd s ILE 129 Ca 0.24 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 2bkd s ILE 129 Cb -0.09 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 2bkd s ILE 129 CO -0.08 0.44 1.03 -0.54 0.00 0.00 0.00 174.94 175.79 2bkd s LYS 130 N 0.64 4.64 -0.14 2.79 1.02 -1.26 -5.01 119.74 122.42 2bkd s LYS 130 Ca 0.02 1.63 -0.29 0.00 0.02 0.00 0.00 55.97 57.36 2bkd s LYS 130 Cb -0.13 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2bkd s LYS 130 CO 0.02 0.27 1.50 -0.51 -0.92 0.00 0.00 175.35 175.71 2bkd s LEU 131 N -1.56 4.16 0.00 3.17 1.43 -1.26 -4.91 118.68 119.71 2bkd s LEU 131 Ca 0.45 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 2bkd s LEU 131 Cb -0.28 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2bkd s LEU 131 CO 0.35 -0.96 0.00 0.47 0.23 0.00 0.00 176.35 176.45 2bkd n ASP 132 N 7.29 0.00 -3.89 2.29 8.00 -1.26 -5.10 116.55 123.88 2bkd n ASP 132 Ca 0.16 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.49 2bkd n ASP 132 Cb 0.44 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.39 2bkd n ASP 132 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bkd s VAL 133 N 0.00 0.36 -2.00 2.53 0.11 -1.26 -5.18 120.40 114.96 2bkd s VAL 133 Ca 0.00 -0.08 0.31 0.00 -2.93 0.00 0.00 61.98 59.28 2bkd s VAL 133 Cb 0.00 -0.38 0.87 0.00 -1.53 0.00 0.00 36.38 35.34 2bkd s VAL 133 CO 0.00 0.16 2.16 -0.81 -3.33 0.00 0.00 175.10 173.28