#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro s HIS 3 N 0.00 2.07 -1.13 0.00 3.76 -1.26 -4.87 115.29 113.87 2wro s HIS 3 Ca 0.00 0.09 -0.11 0.00 -0.15 0.00 0.00 55.06 54.89 2wro s HIS 3 Cb 0.00 -4.23 0.24 0.00 1.11 0.00 0.00 32.58 29.70 2wro s HIS 3 CO 0.00 -1.67 1.20 0.21 -0.85 0.00 0.00 174.74 173.63 2wro s LYS 4 N 6.23 4.14 0.09 1.40 2.20 -1.26 -5.02 119.74 127.52 2wro s LYS 4 Ca 0.63 -2.97 -0.24 0.00 -0.36 0.00 0.00 55.97 53.04 2wro s LYS 4 Cb -0.03 -4.72 -0.13 0.00 -1.51 0.00 0.00 37.83 31.44 2wro s LYS 4 CO 0.01 -1.42 0.53 1.63 -0.36 0.00 0.00 175.35 175.75 2wro n LYS 5 N 3.73 0.00 -0.86 4.03 4.76 -1.26 -4.88 118.16 123.68 2wro n LYS 5 Ca 0.27 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.41 2wro n LYS 5 Cb 0.41 -0.87 0.16 0.00 -1.84 0.00 0.00 35.03 32.89 2wro n LYS 5 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wro s GLY 6 N -0.45 1.65 0.03 0.72 0.00 -1.26 -5.05 107.32 102.96 2wro s GLY 6 Ca 0.54 0.31 -0.00 0.00 0.00 0.00 0.00 44.72 45.57 2wro s GLY 6 CO 0.41 0.78 -0.03 1.08 0.00 0.00 0.00 173.10 175.34 2wro s LEU 7 N -6.52 2.32 0.00 0.66 1.43 -1.26 -5.16 118.68 110.15 2wro s LEU 7 Ca 0.65 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2wro s LEU 7 Cb -0.21 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.15 2wro s LEU 7 CO 0.59 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 177.37 2wro n GLY 8 N 1.07 0.70 0.00 -3.19 0.00 -1.26 -5.15 105.19 97.36 2wro n GLY 8 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2wro n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wro n SER 9 N 0.00 0.00 -4.06 1.61 3.41 -1.26 -5.18 113.62 108.13 2wro n SER 9 Ca 0.00 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 57.86 2wro n SER 9 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2wro n SER 9 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wro s THR 10 N -2.87 0.28 -0.42 6.66 2.01 -1.26 -5.06 115.64 114.99 2wro s THR 10 Ca 0.00 -1.47 0.08 0.00 0.31 0.00 0.00 61.69 60.62 2wro s THR 10 Cb 0.00 -1.05 0.42 0.00 0.01 0.00 0.00 72.50 71.89 2wro s THR 10 CO 0.00 -0.76 1.06 0.54 -0.69 0.00 0.00 174.62 174.77 2wro n ARG 11 N 0.70 2.82 0.00 4.92 1.74 -1.26 -4.75 116.66 120.84 2wro n ARG 11 Ca -0.18 -4.20 0.00 0.00 -0.77 0.00 0.00 57.85 52.70 2wro n ARG 11 Cb 0.58 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2wro n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wro n ASN 12 N -0.35 0.00 -2.18 0.55 4.13 -1.26 -4.94 115.26 111.20 2wro n ASN 12 Ca 0.31 -0.59 -0.02 0.00 1.68 0.00 0.00 54.58 55.95 2wro n ASN 12 Cb 0.69 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.89 2wro n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wro n GLY 13 N 0.00 1.44 2.96 7.41 0.00 -1.26 -4.70 105.19 111.04 2wro n GLY 13 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 2wro n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wro s ARG 14 N 2.07 0.21 -0.29 1.61 1.70 -1.26 -5.14 118.95 117.84 2wro s ARG 14 Ca 0.14 -0.31 -0.15 0.00 -0.47 0.00 0.00 55.73 54.94 2wro s ARG 14 Cb 0.07 0.08 0.12 0.00 -0.57 0.00 0.00 34.95 34.64 2wro s ARG 14 CO 0.00 -0.04 0.81 0.34 -1.08 0.00 0.00 175.30 175.33 2wro s ASP 15 N -0.81 -0.79 0.25 -2.89 3.68 -1.26 -5.16 116.67 109.68 2wro s ASP 15 Ca -0.09 1.23 -0.30 0.00 2.13 0.00 0.00 52.55 55.52 2wro s ASP 15 Cb -0.06 1.47 -0.09 0.00 -1.45 0.00 0.00 42.92 42.80 2wro s ASP 15 CO -0.00 -0.19 1.26 -0.55 0.13 0.00 0.00 175.17 175.82 2wro s SER 16 N 1.78 6.95 0.05 -0.34 0.15 -1.26 -4.90 113.70 116.12 2wro s SER 16 Ca -0.09 2.44 -0.18 0.00 0.70 0.00 0.00 55.95 58.83 2wro s SER 16 Cb -0.06 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.53 2wro s SER 16 CO -0.18 -0.44 0.42 1.67 1.20 0.00 0.00 173.24 175.91 2wro n GLN 17 N 1.84 0.00 -2.60 5.44 -0.06 -1.26 -4.80 117.38 115.95 2wro n GLN 17 Ca 0.03 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.60 2wro n GLN 17 Cb 0.43 -0.66 -0.02 0.00 -4.06 0.00 0.00 30.24 25.93 2wro n GLN 17 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2wro s ALA 18 N -0.25 3.27 -0.47 1.69 0.00 -1.26 -4.98 121.76 119.76 2wro s ALA 18 Ca 0.41 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 2wro s ALA 18 Cb -0.58 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 18.75 2wro s ALA 18 CO 0.30 -1.99 0.86 0.15 0.00 0.00 0.00 175.76 175.07 2wro s LYS 19 N 4.20 3.43 -1.16 0.00 1.02 -1.26 -4.95 119.74 121.02 2wro s LYS 19 Ca 0.48 -0.05 -0.23 0.00 0.02 0.00 0.00 55.97 56.19 2wro s LYS 19 Cb -0.09 -3.96 -0.10 0.00 -0.52 0.00 0.00 37.83 33.16 2wro s LYS 19 CO 0.26 -1.22 1.94 0.54 -0.92 0.00 0.00 175.35 175.95 2wro n ARG 20 N 7.00 1.54 -3.00 1.68 3.00 -1.26 -4.88 116.66 120.74 2wro n ARG 20 Ca 0.03 -2.41 -0.19 0.00 -0.01 0.00 0.00 57.85 55.27 2wro n ARG 20 Cb 0.48 -3.70 0.06 0.00 0.00 0.00 0.00 32.46 29.30 2wro n ARG 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wro n LEU 21 N 14.26 0.00 0.00 0.55 4.77 -1.26 -5.04 117.00 130.28 2wro n LEU 21 Ca 0.45 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 2wro n LEU 21 Cb 0.46 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2wro n LEU 21 CO 0.69 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2wro n GLY 22 N -1.88 0.28 3.78 -0.72 0.00 0.45 -4.93 105.19 102.18 2wro n GLY 22 Ca 0.15 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 2wro n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wro s VAL 23 N -0.16 3.23 0.00 1.61 1.01 -1.26 0.90 120.40 125.72 2wro s VAL 23 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2wro s VAL 23 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2wro s VAL 23 CO 0.00 -0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.25 2wro n LYS 24 N -1.12 0.51 -3.62 2.72 4.76 0.67 -4.87 118.16 117.21 2wro n LYS 24 Ca 0.11 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.35 2wro n LYS 24 Cb 0.51 -0.90 -0.04 0.00 -1.84 0.00 0.00 35.03 32.76 2wro n LYS 24 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wro n ARG 25 N -2.20 1.15 -1.38 1.97 5.12 -1.03 -5.03 116.66 115.26 2wro n ARG 25 Ca 0.00 -2.25 0.00 0.00 -1.93 0.00 0.00 57.85 53.67 2wro n ARG 25 Cb 0.40 0.71 0.00 0.00 -1.16 0.00 0.00 32.46 32.41 2wro n ARG 25 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2wro n TYR 26 N -0.74 -0.60 -3.29 -1.55 4.02 -1.26 -4.98 117.16 108.76 2wro n TYR 26 Ca -0.11 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.39 2wro n TYR 26 Cb 0.39 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.65 2wro n TYR 26 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2wro s GLU 27 N -1.97 4.22 0.00 -0.72 8.01 -1.22 -3.30 118.70 123.72 2wro s GLU 27 Ca 0.00 0.64 0.00 0.00 0.01 0.00 0.00 54.97 55.62 2wro s GLU 27 Cb 0.00 -3.30 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 2wro s GLU 27 CO 0.00 0.48 0.00 0.41 0.01 0.00 0.00 175.26 176.16 2wro n GLY 28 N 2.22 0.60 2.81 -1.39 0.00 -1.23 -4.94 105.19 103.27 2wro n GLY 28 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2wro n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wro s GLN 29 N -0.97 1.01 0.87 1.61 -0.21 -1.21 -5.00 119.66 115.75 2wro s GLN 29 Ca 0.00 -0.42 -0.12 0.00 0.02 0.00 0.00 55.36 54.84 2wro s GLN 29 Cb 0.00 -1.94 0.11 0.00 1.00 0.00 0.00 33.01 32.18 2wro s GLN 29 CO 0.00 -0.51 1.12 0.14 -2.12 0.00 0.00 175.29 173.92 2wro s VAL 30 N 1.76 2.41 -0.30 1.09 -7.23 -1.25 -2.26 120.40 114.62 2wro s VAL 30 Ca 0.00 0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 2wro s VAL 30 Cb -0.16 -2.88 0.17 0.00 0.56 0.00 0.00 36.38 34.06 2wro s VAL 30 CO -0.07 -0.18 0.68 0.68 -0.31 0.00 0.00 175.10 175.90 2wro s VAL 31 N -3.23 -0.91 0.82 1.32 -7.23 -0.22 -4.77 120.40 106.17 2wro s VAL 31 Ca 0.63 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.64 2wro s VAL 31 Cb -0.15 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.73 2wro s VAL 31 CO 0.54 0.00 0.09 0.54 -0.31 0.00 0.00 175.10 175.96 2wro n ARG 32 N 5.41 0.04 -2.07 4.82 1.74 -1.26 -3.69 116.66 121.64 2wro n ARG 32 Ca -0.06 0.04 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 2wro n ARG 32 Cb 0.51 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2wro n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wro s ALA 33 N -2.07 3.08 0.00 7.54 0.00 -1.26 -2.72 121.76 126.32 2wro s ALA 33 Ca 0.56 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2wro s ALA 33 Cb -0.29 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2wro s ALA 33 CO 0.67 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2wro n GLY 34 N 0.61 3.09 3.58 0.00 0.00 -0.89 -4.95 105.19 106.62 2wro n GLY 34 Ca 0.06 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 2wro n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wro n ASN 35 N 0.88 0.12 -4.73 1.61 4.13 -1.10 -4.84 115.26 111.32 2wro n ASN 35 Ca 0.00 0.69 -0.31 0.00 1.68 0.00 0.00 54.58 56.64 2wro n ASN 35 Cb 0.00 -1.35 -0.07 0.00 -1.54 0.00 0.00 39.78 36.82 2wro n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2wro s ILE 36 N -1.75 4.30 -0.12 2.41 -4.36 -1.26 -3.94 121.20 116.48 2wro s ILE 36 Ca 0.72 -0.81 -0.07 0.00 -0.26 0.00 0.00 60.65 60.24 2wro s ILE 36 Cb -0.37 -3.04 -0.02 0.00 1.25 0.00 0.00 42.46 40.28 2wro s ILE 36 CO 0.51 0.17 -0.14 -0.07 0.24 0.00 0.00 174.94 175.65 2wro h LEU 37 N 3.53 0.00 -7.48 0.37 3.38 0.38 -3.38 115.31 112.11 2wro h LEU 37 Ca -0.47 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.28 2wro h LEU 37 Cb 1.17 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.62 2wro h LEU 37 CO 0.62 0.63 -0.56 -0.69 0.09 0.00 0.00 178.44 178.54 2wro s VAL 38 N -2.01 -0.03 -0.99 1.22 1.01 -1.24 0.24 120.40 118.60 2wro s VAL 38 Ca -0.11 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 2wro s VAL 38 Cb 0.02 -0.25 0.12 0.00 0.00 0.00 0.00 36.38 36.26 2wro s VAL 38 CO 0.17 0.04 1.23 -0.13 0.00 0.00 0.00 175.10 176.41 2wro s ARG 39 N 0.74 3.68 0.53 2.72 1.81 0.26 -2.14 118.95 126.55 2wro s ARG 39 Ca -0.05 -1.79 0.09 0.00 -1.72 0.00 0.00 55.73 52.26 2wro s ARG 39 Cb -0.07 -5.02 0.06 0.00 -0.45 0.00 0.00 34.95 29.48 2wro s ARG 39 CO -0.04 -1.85 0.73 1.14 -0.68 0.00 0.00 175.30 174.60 2wro s GLN 40 N 2.91 2.46 0.00 3.54 -2.07 -1.12 -0.41 119.66 124.96 2wro s GLN 40 Ca 0.37 -1.52 0.00 0.00 -1.82 0.00 0.00 55.36 52.39 2wro s GLN 40 Cb -0.04 -2.68 0.00 0.00 -1.09 0.00 0.00 33.01 29.21 2wro s GLN 40 CO -0.08 -0.69 0.00 -2.13 -1.32 0.00 0.00 175.29 171.07 2wro n ARG 41 N -2.13 0.00 0.13 9.60 3.00 -1.26 -4.69 116.66 121.31 2wro n ARG 41 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.93 2wro n ARG 41 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.04 2wro n ARG 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2wro h GLY 42 N 0.00 -0.39 0.00 5.14 0.00 -1.93 -3.43 103.07 102.46 2wro h GLY 42 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wro h GLY 42 CO 0.00 -0.14 0.00 -0.37 0.00 0.00 0.00 176.54 176.03 2wro n THR 43 N -4.10 0.00 -0.08 4.70 5.66 -1.26 -4.94 114.28 114.26 2wro n THR 43 Ca -0.05 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.86 2wro n THR 43 Cb 0.15 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.99 2wro n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2wro h ARG 44 N 0.00 0.77 -3.47 1.09 3.08 -1.95 -3.40 114.38 110.51 2wro h ARG 44 Ca 0.00 -0.36 -0.63 0.00 0.07 0.00 0.00 59.98 59.07 2wro h ARG 44 Cb 0.00 -0.01 -0.40 0.00 0.08 0.00 0.00 29.97 29.63 2wro h ARG 44 CO 0.00 0.98 -0.70 -0.06 -1.07 0.00 0.00 179.97 179.12 2wro s PHE 45 N -4.47 2.64 0.22 3.04 0.40 -1.26 -4.15 117.98 114.41 2wro s PHE 45 Ca -0.09 -2.69 -0.32 0.00 -0.60 0.00 0.00 56.93 53.23 2wro s PHE 45 Cb 0.12 -2.35 -0.12 0.00 0.51 0.00 0.00 43.02 41.18 2wro s PHE 45 CO 0.85 -0.81 1.69 1.63 0.70 0.00 0.00 175.22 179.28 2wro n LYS 46 N 3.68 2.72 -0.54 0.44 5.02 -0.53 -4.80 118.16 124.15 2wro n LYS 46 Ca 0.05 0.98 -0.21 0.00 -2.02 0.00 0.00 58.31 57.11 2wro n LYS 46 Cb 0.36 -2.81 0.02 0.00 -0.02 0.00 0.00 35.03 32.58 2wro n LYS 46 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wro n PRO 47 N 3.56 0.00 -3.77 1.97 -0.02 -1.26 -3.97 135.00 131.52 2wro n PRO 47 Ca 0.15 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.43 2wro n PRO 47 Cb 0.35 -0.54 -0.05 0.00 -0.02 0.00 0.00 33.50 33.24 2wro n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wro n GLY 48 N 1.88 3.57 3.72 -1.23 0.00 -0.60 -4.27 105.19 108.25 2wro n GLY 48 Ca -0.01 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2wro n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 49 N -3.16 4.26 -1.78 1.61 1.02 -1.26 -0.06 119.74 120.37 2wro s LYS 49 Ca 0.10 2.24 0.00 0.00 0.02 0.00 0.00 55.97 58.33 2wro s LYS 49 Cb 0.01 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2wro s LYS 49 CO 0.07 -0.53 0.00 0.09 -0.92 0.00 0.00 175.35 174.06 2wro n ASN 50 N 3.92 -5.47 -3.62 2.83 4.13 -1.26 -3.19 115.26 112.60 2wro n ASN 50 Ca 0.13 0.14 -0.28 0.00 1.68 0.00 0.00 54.58 56.25 2wro n ASN 50 Cb 0.40 -4.56 -0.16 0.00 -1.54 0.00 0.00 39.78 33.92 2wro n ASN 50 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wro s VAL 51 N -2.88 0.16 0.05 2.41 1.01 0.92 -3.70 120.40 118.36 2wro s VAL 51 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2wro s VAL 51 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2wro s VAL 51 CO 0.00 -0.52 0.04 0.61 0.00 0.00 0.00 175.10 175.24 2wro n GLY 52 N 5.17 2.84 3.55 4.51 0.00 -1.26 -1.56 105.19 118.44 2wro n GLY 52 Ca -0.06 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.62 2wro n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wro s MET 53 N -2.21 0.95 0.00 1.61 1.75 -1.26 -3.77 119.30 116.37 2wro s MET 53 Ca 0.03 0.39 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 2wro s MET 53 Cb -0.00 0.45 0.00 0.00 2.84 0.00 0.00 34.83 38.12 2wro s MET 53 CO 0.02 -0.26 0.00 0.41 -0.65 0.00 0.00 175.02 174.54 2wro n GLY 54 N 1.26 5.29 0.00 2.11 0.00 -1.26 -4.99 105.19 107.61 2wro n GLY 54 Ca -0.17 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2wro n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro n ARG 55 N 0.00 0.00 0.00 1.61 1.74 -1.26 -2.32 116.66 116.43 2wro n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wro n ARG 55 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wro n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wro n ASP 56 N 0.00 0.00 -2.82 0.55 5.68 -1.26 -4.69 116.55 114.01 2wro n ASP 56 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2wro n ASP 56 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 2wro n ASP 56 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2wro n PHE 57 N -0.15 -2.99 -3.98 2.11 3.72 -0.98 -4.69 117.46 110.51 2wro n PHE 57 Ca 0.00 1.48 -0.10 0.00 -0.05 0.00 0.00 57.45 58.78 2wro n PHE 57 Cb 0.00 -3.13 -0.07 0.00 -0.94 0.00 0.00 39.48 35.34 2wro n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wro s THR 58 N -1.11 0.07 0.06 4.37 2.01 -1.26 -2.79 115.64 116.99 2wro s THR 58 Ca -0.07 -1.44 0.09 0.00 0.31 0.00 0.00 61.69 60.58 2wro s THR 58 Cb 0.00 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 2wro s THR 58 CO 0.56 -0.33 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.16 2wro s LEU 59 N -2.97 2.32 0.00 4.42 1.43 -0.91 -4.29 118.68 118.67 2wro s LEU 59 Ca 0.17 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2wro s LEU 59 Cb 0.04 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2wro s LEU 59 CO -0.00 0.24 0.00 2.22 0.23 0.00 0.00 176.35 179.04 2wro n PHE 60 N 1.57 0.00 -3.52 0.29 1.16 -1.25 0.28 117.46 115.99 2wro n PHE 60 Ca -0.17 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.28 2wro n PHE 60 Cb 0.52 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.35 2wro n PHE 60 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wro s ALA 61 N -1.29 -1.44 -0.75 1.98 0.00 -1.25 -4.45 121.76 114.55 2wro s ALA 61 Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.64 2wro s ALA 61 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2wro s ALA 61 CO 0.00 -0.58 0.60 1.47 0.00 0.00 0.00 175.76 177.25 2wro n LEU 62 N 0.17 1.23 -3.68 0.00 -0.00 -1.24 -2.11 117.00 111.37 2wro n LEU 62 Ca -0.18 -0.85 -0.10 0.00 -0.00 0.00 0.00 56.01 54.88 2wro n LEU 62 Cb 0.62 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.93 2wro n LEU 62 CO 0.17 0.25 -0.01 0.68 -0.00 0.00 0.00 177.39 178.49 2wro s VAL 63 N -0.93 -0.36 0.97 1.47 -7.23 -1.26 -4.83 120.40 108.24 2wro s VAL 63 Ca 0.07 0.17 -0.14 0.00 -1.81 0.00 0.00 61.98 60.26 2wro s VAL 63 Cb 0.06 -0.58 0.23 0.00 0.56 0.00 0.00 36.38 36.64 2wro s VAL 63 CO 0.15 0.07 0.51 0.47 -0.31 0.00 0.00 175.10 175.99 2wro n ASP 64 N 4.93 -3.19 0.00 4.85 8.00 -1.26 -4.67 116.55 125.21 2wro n ASP 64 Ca -0.14 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2wro n ASP 64 Cb 0.52 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2wro n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wro n GLY 65 N -2.79 3.48 3.74 0.44 0.00 -1.24 -4.27 105.19 104.55 2wro n GLY 65 Ca 0.08 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2wro n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wro s VAL 66 N -2.61 2.84 0.62 1.61 1.01 -0.30 -1.05 120.40 122.52 2wro s VAL 66 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 2wro s VAL 66 Cb 0.00 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.99 2wro s VAL 66 CO 0.00 0.12 0.87 -0.69 0.00 0.00 0.00 175.10 175.40 2wro s VAL 67 N -0.05 2.45 -0.14 2.92 1.01 -0.96 0.02 120.40 125.65 2wro s VAL 67 Ca 0.58 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2wro s VAL 67 Cb -0.40 -2.87 0.13 0.00 0.00 0.00 0.00 36.38 33.24 2wro s VAL 67 CO 0.42 0.00 1.03 -1.83 0.00 0.00 0.00 175.10 174.72 2wro s GLU 68 N -4.95 0.56 0.24 2.72 -1.05 0.74 -3.44 118.70 113.53 2wro s GLU 68 Ca 0.60 0.02 0.07 0.00 -0.15 0.00 0.00 54.97 55.52 2wro s GLU 68 Cb -0.09 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 2wro s GLU 68 CO 0.41 -0.20 0.14 -0.06 0.95 0.00 0.00 175.26 176.50 2wro s PHE 69 N -1.61 3.02 -0.08 4.83 0.40 -1.26 -0.94 117.98 122.33 2wro s PHE 69 Ca 0.02 -0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 2wro s PHE 69 Cb -0.01 -1.37 0.05 0.00 0.51 0.00 0.00 43.02 42.20 2wro s PHE 69 CO -0.02 0.54 0.14 -1.14 0.70 0.00 0.00 175.22 175.44 2wro s GLN 70 N -3.68 0.02 -0.08 0.44 0.74 -1.17 -4.97 119.66 110.95 2wro s GLN 70 Ca 0.32 0.48 -0.08 0.00 0.05 0.00 0.00 55.36 56.12 2wro s GLN 70 Cb -0.08 -0.44 -0.04 0.00 1.10 0.00 0.00 33.01 33.54 2wro s GLN 70 CO 0.23 -0.35 0.20 0.34 -0.55 0.00 0.00 175.29 175.17 2wro s ASP 71 N 2.26 6.48 0.00 6.67 -1.08 -1.26 -0.77 116.67 128.97 2wro s ASP 71 Ca 0.04 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 2wro s ASP 71 Cb -0.12 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 2wro s ASP 71 CO -0.06 0.38 0.55 0.54 0.52 0.00 0.00 175.17 177.10 2wro n ARG 72 N 1.85 0.63 0.00 4.34 1.74 0.84 -4.99 116.66 121.07 2wro n ARG 72 Ca -0.18 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 2wro n ARG 72 Cb 0.54 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 2wro n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wro n GLY 73 N -0.15 0.19 0.96 -0.13 0.00 -1.22 -2.93 105.19 101.90 2wro n GLY 73 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2wro n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro n ARG 74 N 0.00 0.85 0.00 1.61 5.12 -1.26 -3.06 116.66 119.91 2wro n ARG 74 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wro n ARG 74 Cb 0.00 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 2wro n ARG 74 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2wro n LEU 75 N 0.53 0.00 0.00 0.55 4.77 -1.15 -5.17 117.00 116.53 2wro n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wro n LEU 75 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2wro n LEU 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2wro n GLY 76 N 0.00 0.15 3.42 -0.72 0.00 -1.17 -4.94 105.19 101.92 2wro n GLY 76 Ca 0.00 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.42 2wro n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wro s ARG 77 N -0.76 1.75 0.42 1.61 0.52 -1.26 -0.11 118.95 121.13 2wro s ARG 77 Ca 0.00 -1.16 0.04 0.00 -0.52 0.00 0.00 55.73 54.09 2wro s ARG 77 Cb 0.00 -2.04 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 2wro s ARG 77 CO 0.00 0.49 0.13 0.71 0.02 0.00 0.00 175.30 176.66 2wro s TYR 78 N -0.98 1.78 -0.33 -0.53 1.51 0.05 -1.45 117.35 117.41 2wro s TYR 78 Ca 0.14 -1.31 -0.00 0.00 -1.01 0.00 0.00 57.07 54.90 2wro s TYR 78 Cb -0.10 -1.16 0.13 0.00 -0.11 0.00 0.00 41.96 40.72 2wro s TYR 78 CO 0.06 -0.31 0.26 0.08 -1.11 0.00 0.00 175.55 174.52 2wro s VAL 79 N -3.18 -0.17 0.12 0.71 1.01 -1.25 -3.07 120.40 114.57 2wro s VAL 79 Ca 0.22 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2wro s VAL 79 Cb 0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 2wro s VAL 79 CO 0.14 -0.70 0.49 -1.00 0.00 0.00 0.00 175.10 174.04 2wro s HIS 80 N 1.71 3.61 -0.85 5.22 3.76 -0.12 -3.16 115.29 125.47 2wro s HIS 80 Ca 0.14 0.97 -0.03 0.00 -0.15 0.00 0.00 55.06 55.99 2wro s HIS 80 Cb -0.17 -2.30 0.21 0.00 1.11 0.00 0.00 32.58 31.43 2wro s HIS 80 CO -0.17 0.47 0.72 0.08 -0.85 0.00 0.00 174.74 174.99 2wro s VAL 81 N -1.42 4.35 0.13 -0.90 1.01 -1.19 -0.18 120.40 122.19 2wro s VAL 81 Ca 0.35 -3.61 -0.34 0.00 0.00 0.00 0.00 61.98 58.39 2wro s VAL 81 Cb -0.15 -3.72 -0.14 0.00 0.00 0.00 0.00 36.38 32.38 2wro s VAL 81 CO 0.19 -1.05 1.61 -1.14 0.00 0.00 0.00 175.10 174.71 2wro n ARG 82 N 2.65 2.13 0.00 2.72 0.63 0.10 -4.77 116.66 120.12 2wro n ARG 82 Ca 0.18 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 2wro n ARG 82 Cb 0.38 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.74 2wro n ARG 82 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2wro n PRO 83 N 3.79 3.46 -3.58 -0.14 -0.02 -1.26 -1.16 135.00 136.09 2wro n PRO 83 Ca 0.18 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 2wro n PRO 83 Cb 0.29 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.61 2wro n PRO 83 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2wro s LEU 84 N 0.00 0.55 0.00 2.45 0.05 -1.26 -4.37 118.68 116.09 2wro s LEU 84 Ca 0.00 -1.01 0.07 0.00 0.05 0.00 0.00 54.13 53.24 2wro s LEU 84 Cb 0.00 -0.33 0.05 0.00 -2.05 0.00 0.00 46.19 43.86 2wro s LEU 84 CO 0.00 -0.40 0.71 0.00 -0.55 0.00 0.00 176.35 176.12