#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n ASN 2 N 0.00 0.46 -0.08 6.12 3.02 -1.26 -4.68 115.26 118.84 2wro n ASN 2 Ca 0.00 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2wro n ASN 2 Cb 0.00 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 2wro n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wro n ARG 3 N -0.64 0.00 0.00 3.52 5.12 -1.26 -5.09 116.66 118.30 2wro n ARG 3 Ca 0.01 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 2wro n ARG 3 Cb 0.04 -0.15 0.00 0.00 -1.16 0.00 0.00 32.46 31.19 2wro n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wro n GLY 4 N 0.00 0.00 0.16 -0.13 0.00 -1.26 0.23 105.19 104.19 2wro n GLY 4 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2wro n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wro n ALA 5 N 0.00 1.01 0.98 4.61 0.00 -1.26 0.19 120.51 126.04 2wro n ALA 5 Ca 0.00 0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.77 2wro n ALA 5 Cb 0.00 -1.27 0.57 0.00 0.00 0.00 0.00 19.45 18.75 2wro n ALA 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wro n LEU 6 N -2.24 0.10 0.04 0.00 0.00 0.63 -2.65 117.00 112.87 2wro n LEU 6 Ca -0.01 0.45 -0.20 0.00 0.00 0.00 0.00 56.01 56.24 2wro n LEU 6 Cb 0.06 -0.46 -0.14 0.00 0.00 0.00 0.00 43.42 42.87 2wro n LEU 6 CO 0.09 0.01 -0.60 0.40 0.00 0.00 0.00 177.39 177.28 2wro h ILE 7 N 0.00 0.85 0.00 1.96 2.04 0.22 -3.29 117.51 119.28 2wro h ILE 7 Ca 0.00 -2.52 -0.05 0.00 1.00 0.00 0.00 64.86 63.30 2wro h ILE 7 Cb 0.51 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2wro h ILE 7 CO 0.00 0.83 -0.23 0.11 0.00 0.00 0.00 178.15 178.86 2wro h LYS 8 N 0.08 0.00 0.00 2.37 1.57 -1.43 -1.00 116.57 118.16 2wro h LYS 8 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2wro h LYS 8 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2wro h LYS 8 CO 0.13 0.23 0.00 1.28 -0.57 0.00 0.00 179.45 180.52 2wro n LEU 9 N -3.76 0.00 -0.14 2.94 4.77 -1.08 -3.12 117.00 116.60 2wro n LEU 9 Ca -0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 2wro n LEU 9 Cb 0.33 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 2wro n LEU 9 CO 0.34 0.00 -1.39 0.52 -1.33 0.00 0.00 177.39 175.53 2wro n VAL 10 N -0.95 1.53 0.04 4.08 0.31 -0.38 -4.04 118.33 118.92 2wro n VAL 10 Ca 0.07 -0.34 0.02 0.00 -0.01 0.00 0.00 64.34 64.08 2wro n VAL 10 Cb 0.03 -1.92 0.12 0.00 -0.91 0.00 0.00 33.84 31.16 2wro n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wro n GLU 11 N -4.27 0.03 0.00 5.55 4.71 -1.18 -1.28 120.64 124.20 2wro n GLU 11 Ca -0.51 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 2wro n GLU 11 Cb 0.86 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.66 2wro n GLU 11 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2wro n SER 12 N -1.64 0.47 -2.19 1.62 7.64 -1.20 -4.29 113.62 114.03 2wro n SER 12 Ca -0.00 -0.68 -0.18 0.00 1.01 0.00 0.00 58.87 59.02 2wro n SER 12 Cb 0.04 -0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 2wro n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wro n ARG 13 N 0.43 2.15 0.00 1.43 5.12 -0.40 -3.15 116.66 122.24 2wro n ARG 13 Ca 0.00 -1.53 0.00 0.00 -1.93 0.00 0.00 57.85 54.39 2wro n ARG 13 Cb 0.10 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 2wro n ARG 13 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2wro n TYR 14 N 1.84 0.00 -1.12 -1.55 4.02 -1.26 -5.10 117.16 113.98 2wro n TYR 14 Ca 0.45 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.97 2wro n TYR 14 Cb 0.77 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.12 2wro n TYR 14 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 2wro n VAL 15 N -0.61 0.13 -3.12 -0.72 3.14 -1.19 -4.80 118.33 111.17 2wro n VAL 15 Ca 0.00 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2wro n VAL 15 Cb 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 2wro n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2wro n ARG 16 N 1.73 3.11 -0.01 1.45 5.12 -1.26 -5.06 116.66 121.74 2wro n ARG 16 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2wro n ARG 16 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2wro n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2wro n THR 17 N -0.07 0.00 -0.34 0.55 5.66 -1.26 -4.94 114.28 113.87 2wro n THR 17 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 2wro n THR 17 Cb 0.00 0.00 0.29 0.00 -1.55 0.00 0.00 70.33 69.07 2wro n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2wro n ASP 18 N 0.00 3.79 -4.51 1.09 5.75 -1.26 -4.89 116.55 116.52 2wro n ASP 18 Ca 0.00 -2.00 -0.41 0.00 -0.01 0.00 0.00 54.79 52.37 2wro n ASP 18 Cb 0.01 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.55 2wro n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wro s LEU 19 N -1.01 4.71 0.31 -2.12 1.43 -1.26 -4.68 118.68 116.06 2wro s LEU 19 Ca 0.45 -0.57 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 2wro s LEU 19 Cb 0.23 -2.14 -0.14 0.00 0.03 0.00 0.00 46.19 44.17 2wro s LEU 19 CO 0.30 -0.30 0.91 -2.65 0.23 0.00 0.00 176.35 174.84 2wro n PRO 20 N 5.12 1.12 -2.93 1.29 -0.02 -1.26 -4.86 135.00 133.46 2wro n PRO 20 Ca -0.12 0.40 -0.44 0.00 -2.02 0.00 0.00 63.50 61.32 2wro n PRO 20 Cb 0.49 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 2wro n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wro s GLU 21 N -1.55 3.82 0.00 -0.52 2.12 -1.26 -4.94 118.70 116.37 2wro s GLU 21 Ca 0.60 -2.12 0.00 0.00 0.36 0.00 0.00 54.97 53.82 2wro s GLU 21 Cb -0.70 -4.99 0.00 0.00 0.26 0.00 0.00 34.13 28.70 2wro s GLU 21 CO 0.59 -1.78 0.00 1.97 -0.54 0.00 0.00 175.26 175.50 2wro n PHE 22 N 6.20 0.00 0.00 5.30 1.16 -1.26 -5.16 117.46 123.70 2wro n PHE 22 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.88 2wro n PHE 22 Cb 0.46 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 2wro n PHE 22 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wro n ARG 23 N 0.00 0.00 0.00 3.97 1.85 -1.26 -5.02 116.66 116.20 2wro n ARG 23 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2wro n ARG 23 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2wro n ARG 23 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wro n PRO 24 N -0.65 0.00 0.00 2.89 -0.02 -1.26 -4.54 135.00 131.42 2wro n PRO 24 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wro n PRO 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2wro n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wro n GLY 25 N 0.00 4.19 2.54 -1.23 0.00 -1.26 -4.42 105.19 105.02 2wro n GLY 25 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 2wro n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wro s ASP 26 N 1.00 2.62 0.00 1.61 3.68 -0.19 -3.91 116.67 121.48 2wro s ASP 26 Ca 0.00 -2.98 0.00 0.00 2.13 0.00 0.00 52.55 51.70 2wro s ASP 26 Cb 0.00 -0.73 0.00 0.00 -1.45 0.00 0.00 42.92 40.74 2wro s ASP 26 CO 0.00 -0.19 0.00 1.07 0.13 0.00 0.00 175.17 176.18 2wro n THR 27 N 3.01 0.00 0.00 1.71 5.66 -1.26 0.42 114.28 123.82 2wro n THR 27 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 2wro n THR 27 Cb 0.42 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 2wro n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wro n VAL 28 N -0.48 0.00 -3.64 1.08 0.31 -1.26 -4.16 118.33 110.17 2wro n VAL 28 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2wro n VAL 28 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2wro n VAL 28 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wro s ARG 29 N 0.00 0.07 1.07 5.55 3.00 -1.26 -4.58 118.95 122.80 2wro s ARG 29 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 55.73 55.55 2wro s ARG 29 Cb 0.00 0.03 0.05 0.00 0.00 0.00 0.00 34.95 35.04 2wro s ARG 29 CO 0.00 -0.02 -0.11 1.33 0.00 0.00 0.00 175.30 176.50 2wro n VAL 30 N 0.44 0.00 -3.94 3.52 0.24 -1.26 -4.45 118.33 112.88 2wro n VAL 30 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2wro n VAL 30 Cb 0.59 -0.53 0.02 0.00 -1.47 0.00 0.00 33.84 32.45 2wro n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wro n SER 31 N -0.90 -1.32 0.00 -1.34 3.41 -1.16 -3.51 113.62 108.80 2wro n SER 31 Ca 0.01 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 2wro n SER 31 Cb 0.62 2.09 0.00 0.00 -0.26 0.00 0.00 64.21 66.66 2wro n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wro n TYR 32 N -0.78 0.00 0.00 7.33 -0.00 -1.14 -3.06 117.16 119.51 2wro n TYR 32 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 2wro n TYR 32 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 2wro n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wro n LYS 33 N 0.00 0.00 -2.01 -3.48 4.76 -1.26 -3.47 118.16 112.70 2wro n LYS 33 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 2wro n LYS 33 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 2wro n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wro s VAL 34 N -0.88 3.55 -0.05 -0.18 1.01 -1.26 -3.75 120.40 118.84 2wro s VAL 34 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 2wro s VAL 34 Cb 0.00 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.93 2wro s VAL 34 CO 0.00 -0.19 0.73 -1.59 0.00 0.00 0.00 175.10 174.06 2wro s LYS 35 N 4.65 0.99 -0.17 2.72 -2.85 -0.17 -4.97 119.74 119.94 2wro s LYS 35 Ca 0.76 0.16 -0.03 0.00 -1.00 0.00 0.00 55.97 55.87 2wro s LYS 35 Cb -0.29 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2wro s LYS 35 CO 0.31 -0.32 0.06 0.39 0.10 0.00 0.00 175.35 175.88 2wro n GLU 36 N 0.74 -1.84 -2.65 1.78 1.02 -1.26 -3.11 120.64 115.32 2wro n GLU 36 Ca -0.17 1.74 -0.15 0.00 -0.02 0.00 0.00 57.16 58.56 2wro n GLU 36 Cb 0.58 -3.15 -0.03 0.00 -0.02 0.00 0.00 31.44 28.83 2wro n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wro n GLY 37 N 0.90 -0.26 3.61 0.62 0.00 -1.26 -4.77 105.19 104.04 2wro n GLY 37 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2wro n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s ASN 38 N -1.87 -0.13 -1.03 1.61 6.03 -1.18 -5.07 114.94 113.30 2wro s ASN 38 Ca 0.30 0.06 -0.04 0.00 -1.03 0.00 0.00 52.86 52.15 2wro s ASN 38 Cb -0.17 0.12 0.29 0.00 -3.03 0.00 0.00 41.25 38.46 2wro s ASN 38 CO 0.37 -0.18 1.24 0.54 -2.03 0.00 0.00 177.10 177.04 2wro n ARG 39 N 0.19 3.85 -3.24 3.55 3.00 -1.26 -1.00 116.66 121.75 2wro n ARG 39 Ca -0.01 -4.53 -0.11 0.00 -0.01 0.00 0.00 57.85 53.19 2wro n ARG 39 Cb 0.58 -2.49 -0.04 0.00 0.00 0.00 0.00 32.46 30.51 2wro n ARG 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2wro n THR 40 N 1.77 0.00 -1.51 0.55 -2.24 -1.25 -4.91 114.28 106.69 2wro n THR 40 Ca 0.25 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2wro n THR 40 Cb 0.36 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2wro n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wro n ARG 41 N -0.38 -4.23 -3.86 -0.78 0.00 -1.26 -4.51 116.66 101.64 2wro n ARG 41 Ca 0.03 3.05 -0.36 0.00 -0.00 0.00 0.00 57.85 60.57 2wro n ARG 41 Cb 0.33 -3.36 -0.13 0.00 0.00 0.00 0.00 32.46 29.31 2wro n ARG 41 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2wro s ILE 42 N -1.77 3.18 0.14 5.15 -4.36 -1.23 -3.99 121.20 118.33 2wro s ILE 42 Ca 0.00 -1.48 -0.30 0.00 -0.26 0.00 0.00 60.65 58.61 2wro s ILE 42 Cb 0.00 -2.90 -0.07 0.00 1.25 0.00 0.00 42.46 40.75 2wro s ILE 42 CO 0.00 -0.24 0.99 -1.58 0.24 0.00 0.00 174.94 174.35 2wro s GLN 43 N 1.25 4.70 0.03 0.37 2.00 -1.17 -4.72 119.66 122.13 2wro s GLN 43 Ca -0.02 1.51 -0.00 0.00 -2.00 0.00 0.00 55.36 54.85 2wro s GLN 43 Cb -0.20 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.27 2wro s GLN 43 CO -0.01 0.22 0.05 -0.25 -0.50 0.00 0.00 175.29 174.80 2wro n ASP 44 N 2.52 0.03 -2.74 6.67 9.92 -1.26 -2.99 116.55 128.70 2wro n ASP 44 Ca 0.02 -1.03 -0.08 0.00 -0.53 0.00 0.00 54.79 53.17 2wro n ASP 44 Cb 0.48 -0.03 0.07 0.00 -0.64 0.00 0.00 41.12 41.00 2wro n ASP 44 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2wro n PHE 45 N -1.79 -2.99 -1.59 1.24 7.35 -1.26 -4.75 117.46 113.66 2wro n PHE 45 Ca 0.01 -1.88 -0.20 0.00 -0.76 0.00 0.00 57.45 54.62 2wro n PHE 45 Cb 0.02 1.58 -0.06 0.00 0.35 0.00 0.00 39.48 41.38 2wro n PHE 45 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2wro s GLU 46 N 0.47 1.76 0.26 -4.13 2.56 -1.26 -4.05 118.70 114.30 2wro s GLU 46 Ca 0.27 0.70 -0.14 0.00 0.00 0.00 0.00 54.97 55.80 2wro s GLU 46 Cb 0.26 -4.74 0.05 0.00 2.00 0.00 0.00 34.13 31.70 2wro s GLU 46 CO -0.15 -4.11 0.70 0.41 -0.56 0.00 0.00 175.26 171.55 2wro n GLY 47 N 6.60 1.03 3.91 -1.50 0.00 -1.26 -4.84 105.19 109.13 2wro n GLY 47 Ca 0.44 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 2wro n GLY 47 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wro s ILE 48 N -2.24 3.63 -0.05 -0.61 -5.25 0.40 -4.21 121.20 112.87 2wro s ILE 48 Ca 0.15 -1.23 0.01 0.00 -0.99 0.00 0.00 60.65 58.58 2wro s ILE 48 Cb -0.03 -3.24 -0.03 0.00 2.95 0.00 0.00 42.46 42.11 2wro s ILE 48 CO 0.08 -0.15 -0.04 0.54 -1.79 0.00 0.00 174.94 173.57 2wro s VAL 49 N -2.28 3.89 0.00 8.37 0.11 -1.25 0.80 120.40 130.05 2wro s VAL 49 Ca 0.43 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2wro s VAL 49 Cb -0.07 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 2wro s VAL 49 CO 0.28 0.54 0.00 -0.38 -3.33 0.00 0.00 175.10 172.21 2wro n ILE 50 N 1.98 0.00 -2.15 7.04 -0.00 0.45 -4.50 119.36 122.18 2wro n ILE 50 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.29 2wro n ILE 50 Cb 0.53 -0.63 0.03 0.00 -0.00 0.00 0.00 39.64 39.57 2wro n ILE 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wro s ARG 51 N 0.00 3.10 -0.34 0.38 1.70 -1.26 -4.24 118.95 118.29 2wro s ARG 51 Ca 0.00 0.32 0.02 0.00 -0.47 0.00 0.00 55.73 55.61 2wro s ARG 51 Cb 0.00 -2.16 0.15 0.00 -0.57 0.00 0.00 34.95 32.37 2wro s ARG 51 CO 0.00 -0.73 0.39 0.42 -1.08 0.00 0.00 175.30 174.30 2wro s ILE 52 N -3.12 -0.48 -1.05 4.99 1.01 -1.26 -1.66 121.20 119.63 2wro s ILE 52 Ca 0.55 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 2wro s ILE 52 Cb -0.11 -0.78 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 2wro s ILE 52 CO 0.49 -0.44 2.21 0.54 0.00 0.00 0.00 174.94 177.74 2wro n ARG 53 N 4.78 2.27 -1.68 2.79 1.74 -1.12 -4.84 116.66 120.59 2wro n ARG 53 Ca 0.06 -1.80 -0.51 0.00 -0.77 0.00 0.00 57.85 54.83 2wro n ARG 53 Cb 0.47 -2.72 -0.05 0.00 -1.02 0.00 0.00 32.46 29.14 2wro n ARG 53 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wro n ARG 54 N 5.07 1.87 -2.73 5.56 1.74 -1.26 -2.44 116.66 124.47 2wro n ARG 54 Ca 0.52 0.68 -0.08 0.00 -0.77 0.00 0.00 57.85 58.20 2wro n ARG 54 Cb 0.25 -2.47 0.10 0.00 -1.02 0.00 0.00 32.46 29.32 2wro n ARG 54 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wro n ASN 55 N 5.71 -1.84 0.00 0.55 5.15 -1.26 -4.94 115.26 118.63 2wro n ASN 55 Ca 0.23 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.20 2wro n ASN 55 Cb 0.25 1.27 0.00 0.00 -0.53 0.00 0.00 39.78 40.77 2wro n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wro n GLY 56 N -0.15 1.04 0.00 8.20 0.00 -1.26 -3.60 105.19 109.42 2wro n GLY 56 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2wro n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wro n PHE 57 N 0.00 0.00 -0.41 1.61 -0.00 -1.26 -3.76 117.46 113.65 2wro n PHE 57 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 2wro n PHE 57 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.45 2wro n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2wro n ASN 58 N -0.33 3.45 -4.73 -2.13 2.04 -1.24 -4.90 115.26 107.43 2wro n ASN 58 Ca 0.00 -1.97 -0.42 0.00 -0.44 0.00 0.00 54.58 51.75 2wro n ASN 58 Cb 0.00 -0.78 -0.03 0.00 -2.53 0.00 0.00 39.78 36.44 2wro n ASN 58 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2wro s THR 59 N 0.95 2.54 -0.40 5.53 -4.23 -1.25 -4.71 115.64 114.08 2wro s THR 59 Ca 0.11 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 2wro s THR 59 Cb 0.05 -3.26 0.12 0.00 1.34 0.00 0.00 72.50 70.76 2wro s THR 59 CO 0.00 0.04 0.19 0.42 -0.54 0.00 0.00 174.62 174.73 2wro s THR 60 N 0.84 1.22 1.24 3.99 -4.23 -1.02 -4.09 115.64 113.59 2wro s THR 60 Ca 0.68 -2.19 -0.21 0.00 -1.18 0.00 0.00 61.69 58.79 2wro s THR 60 Cb -0.44 -1.88 0.30 0.00 1.34 0.00 0.00 72.50 71.83 2wro s THR 60 CO 0.35 -0.83 1.12 0.72 -0.54 0.00 0.00 174.62 175.44 2wro s PHE 61 N 0.75 0.18 -0.03 3.99 -0.00 -1.25 -2.80 117.98 118.83 2wro s PHE 61 Ca 0.15 0.39 -0.04 0.00 -0.00 0.00 0.00 56.93 57.43 2wro s PHE 61 Cb -0.22 -3.52 0.01 0.00 -0.00 0.00 0.00 43.02 39.29 2wro s PHE 61 CO -0.07 -4.04 0.11 0.95 -0.00 0.00 0.00 175.22 172.17 2wro s THR 62 N -3.05 0.02 0.11 -4.49 -4.23 -0.66 -2.49 115.64 100.86 2wro s THR 62 Ca 0.72 -0.20 0.07 0.00 -1.18 0.00 0.00 61.69 61.10 2wro s THR 62 Cb -0.08 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.50 2wro s THR 62 CO 0.56 -0.11 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.75 2wro s VAL 63 N -0.33 3.46 0.03 2.29 1.01 0.12 -0.42 120.40 126.57 2wro s VAL 63 Ca -0.04 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 2wro s VAL 63 Cb -0.03 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2wro s VAL 63 CO 0.00 0.08 -0.03 -0.60 0.00 0.00 0.00 175.10 174.55 2wro s ARG 64 N -2.33 0.42 0.00 2.72 3.52 0.24 0.13 118.95 123.65 2wro s ARG 64 Ca 0.23 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2wro s ARG 64 Cb -0.11 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2wro s ARG 64 CO 0.15 -0.06 0.00 1.17 -0.81 0.00 0.00 175.30 175.75 2wro n LYS 65 N 1.16 0.00 -3.54 5.12 3.00 0.35 -0.45 118.16 123.80 2wro n LYS 65 Ca -0.21 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.69 2wro n LYS 65 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.54 2wro n LYS 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2wro s VAL 66 N -2.00 4.70 -0.51 3.15 -7.23 -1.26 -0.49 120.40 116.76 2wro s VAL 66 Ca 0.00 -3.05 -0.19 0.00 -1.81 0.00 0.00 61.98 56.93 2wro s VAL 66 Cb 0.00 -3.94 0.06 0.00 0.56 0.00 0.00 36.38 33.06 2wro s VAL 66 CO 0.00 -1.00 0.62 -0.44 -0.31 0.00 0.00 175.10 173.97 2wro s SER 67 N 1.04 6.22 0.00 4.85 0.01 -1.19 -4.85 113.70 119.78 2wro s SER 67 Ca 0.21 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2wro s SER 67 Cb -0.13 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2wro s SER 67 CO -0.07 -0.90 0.00 -1.22 0.41 0.00 0.00 173.24 171.46 2wro n TYR 68 N 6.14 0.00 0.00 2.43 4.01 -1.26 -4.20 117.16 124.27 2wro n TYR 68 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2wro n TYR 68 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 2wro n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wro n GLY 69 N -1.64 0.00 3.35 2.72 0.00 -1.26 -4.57 105.19 103.79 2wro n GLY 69 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2wro n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wro s VAL 70 N -0.19 1.81 -0.10 1.61 1.01 -1.26 -5.14 120.40 118.15 2wro s VAL 70 Ca 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 61.98 59.76 2wro s VAL 70 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2wro s VAL 70 CO 0.00 -0.52 0.13 -0.83 0.00 0.00 0.00 175.10 173.88 2wro s GLY 71 N -3.19 2.13 0.02 4.51 0.00 -1.26 -3.16 107.32 106.37 2wro s GLY 71 Ca 0.21 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.27 2wro s GLY 71 CO 0.07 -0.45 -0.05 0.14 0.00 0.00 0.00 173.10 172.82 2wro s VAL 72 N -1.06 0.33 -0.05 1.40 1.01 0.35 -4.98 120.40 117.40 2wro s VAL 72 Ca 0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2wro s VAL 72 Cb -0.12 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.91 2wro s VAL 72 CO 0.06 -0.22 0.04 -1.61 0.00 0.00 0.00 175.10 173.36 2wro s GLU 73 N -0.95 0.18 0.41 2.72 2.02 -1.25 -0.49 118.70 121.34 2wro s GLU 73 Ca -0.07 0.27 0.08 0.00 0.02 0.00 0.00 54.97 55.27 2wro s GLU 73 Cb -0.06 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.48 2wro s GLU 73 CO -0.00 -0.31 0.42 1.03 0.02 0.00 0.00 175.26 176.42 2wro s ARG 74 N 2.06 2.62 -0.06 1.61 1.81 0.35 -4.90 118.95 122.44 2wro s ARG 74 Ca 0.04 -1.45 -0.06 0.00 -1.72 0.00 0.00 55.73 52.54 2wro s ARG 74 Cb -0.12 -2.48 0.01 0.00 -0.45 0.00 0.00 34.95 31.91 2wro s ARG 74 CO -0.04 -0.20 0.17 0.42 -0.68 0.00 0.00 175.30 174.97 2wro s ILE 75 N -2.43 0.01 -0.12 1.52 1.09 -1.26 0.16 121.20 120.17 2wro s ILE 75 Ca 0.50 -0.10 -0.00 0.00 -1.10 0.00 0.00 60.65 59.94 2wro s ILE 75 Cb -0.05 -0.28 0.02 0.00 -1.06 0.00 0.00 42.46 41.10 2wro s ILE 75 CO 0.29 -0.06 -0.08 -0.36 -0.10 0.00 0.00 174.94 174.63 2wro s PHE 76 N -0.13 1.57 0.64 3.97 0.40 -1.04 -4.97 117.98 118.42 2wro s PHE 76 Ca -0.02 -0.80 0.26 0.00 -0.60 0.00 0.00 56.93 55.77 2wro s PHE 76 Cb -0.02 -1.28 1.36 0.00 0.51 0.00 0.00 43.02 43.59 2wro s PHE 76 CO 0.00 -0.53 1.77 -1.35 0.70 0.00 0.00 175.22 175.82 2wro h PRO 77 N 8.14 0.00 0.00 0.24 0.11 -1.89 -3.31 132.00 135.30 2wro h PRO 77 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2wro h PRO 77 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wro h PRO 77 CO 0.42 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 178.10 2wro n LEU 78 N -3.07 0.00 -3.97 2.35 0.00 -1.26 -4.07 117.00 106.98 2wro n LEU 78 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.85 2wro n LEU 78 Cb 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.85 2wro n LEU 78 CO 0.16 0.00 -0.42 -1.00 0.00 0.00 0.00 177.39 176.13 2wro s HIS 79 N -2.60 0.66 0.00 1.96 3.76 -1.26 -4.81 115.29 113.00 2wro s HIS 79 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2wro s HIS 79 Cb 0.00 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.23 2wro s HIS 79 CO 0.00 -0.05 0.00 0.45 -0.85 0.00 0.00 174.74 174.29 2wro n SER 80 N 3.16 0.00 -0.28 1.40 2.88 -1.26 -4.65 113.62 114.87 2wro n SER 80 Ca -0.16 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.48 2wro n SER 80 Cb 0.56 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.36 2wro n SER 80 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2wro h PRO 81 N 0.00 0.77 -5.54 -1.46 0.11 -2.00 -3.39 132.00 120.49 2wro h PRO 81 Ca 0.00 -0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.56 2wro h PRO 81 Cb 0.00 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 2wro h PRO 81 CO 0.00 0.51 1.63 1.28 -0.21 0.00 0.00 178.00 181.21 2wro n LEU 82 N -4.55 1.89 0.00 2.35 4.32 -1.26 -2.90 117.00 116.85 2wro n LEU 82 Ca 0.16 -0.21 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2wro n LEU 82 Cb 0.39 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.79 2wro n LEU 82 CO 0.30 -1.23 0.00 2.30 -1.22 0.00 0.00 177.39 177.54 2wro n ILE 83 N 7.79 0.00 -0.55 -0.08 -5.35 -1.23 -4.94 119.36 115.00 2wro n ILE 83 Ca 0.44 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.72 2wro n ILE 83 Cb 0.39 -0.78 0.02 0.00 -1.74 0.00 0.00 39.64 37.53 2wro n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wro n GLN 84 N 0.00 0.00 -1.42 6.28 10.64 -1.26 -4.86 117.38 126.76 2wro n GLN 84 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 2wro n GLN 84 Cb 0.00 -0.55 -0.02 0.00 -0.86 0.00 0.00 30.24 28.82 2wro n GLN 84 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wro n LYS 85 N 1.37 0.21 -1.60 2.61 5.02 -1.26 -4.36 118.16 120.15 2wro n LYS 85 Ca -0.01 -1.51 -0.63 0.00 -2.02 0.00 0.00 58.31 54.15 2wro n LYS 85 Cb 0.34 0.20 -0.09 0.00 -0.02 0.00 0.00 35.03 35.46 2wro n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2wro n ILE 86 N 0.01 0.00 -2.44 -0.18 3.06 -1.26 -4.71 119.36 113.84 2wro n ILE 86 Ca -0.13 -0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 59.87 2wro n ILE 86 Cb 0.88 -0.21 0.04 0.00 0.54 0.00 0.00 39.64 40.89 2wro n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wro s ASP 87 N 1.20 5.32 0.00 9.51 3.84 -1.26 -4.37 116.67 130.91 2wro s ASP 87 Ca 0.97 0.46 0.00 0.00 -0.00 0.00 0.00 52.55 53.98 2wro s ASP 87 Cb -1.36 -1.36 0.00 0.00 -1.38 0.00 0.00 42.92 38.82 2wro s ASP 87 CO 0.67 -1.20 0.00 -0.38 -0.00 0.00 0.00 175.17 174.25 2wro n ILE 88 N -2.59 0.00 -3.55 2.11 2.08 -0.89 -4.89 119.36 111.62 2wro n ILE 88 Ca 0.06 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.09 2wro n ILE 88 Cb 0.59 -0.33 -0.11 0.00 -0.75 0.00 0.00 39.64 39.04 2wro n ILE 88 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2wro s VAL 89 N 0.06 1.13 0.09 1.39 1.01 0.17 -4.97 120.40 119.27 2wro s VAL 89 Ca 0.00 -3.12 -0.16 0.00 0.00 0.00 0.00 61.98 58.70 2wro s VAL 89 Cb 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2wro s VAL 89 CO 0.00 -1.16 0.86 0.00 0.00 0.00 0.00 175.10 174.80 2wro n GLN 90 N 2.62 -0.23 0.00 2.72 6.02 -1.22 -3.23 117.38 124.06 2wro n GLN 90 Ca 0.26 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 58.10 2wro n GLN 90 Cb 0.44 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.45 2wro n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wro n ARG 91 N -4.71 0.00 0.00 -1.09 1.74 -1.26 -1.02 116.66 110.31 2wro n ARG 91 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2wro n ARG 91 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 2wro n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wro n GLY 92 N 0.00 1.97 2.07 -0.13 0.00 -1.26 -3.97 105.19 103.87 2wro n GLY 92 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2wro n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro n ARG 93 N 0.00 -1.42 -1.90 1.61 5.12 -1.26 -4.47 116.66 114.33 2wro n ARG 93 Ca 0.00 0.75 -0.23 0.00 -1.93 0.00 0.00 57.85 56.44 2wro n ARG 93 Cb 0.00 -5.05 -0.06 0.00 -1.16 0.00 0.00 32.46 26.20 2wro n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wro s ALA 94 N -2.19 1.39 -0.47 7.54 0.00 -1.26 -4.76 121.76 122.02 2wro s ALA 94 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2wro s ALA 94 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2wro s ALA 94 CO 0.00 -5.11 0.10 0.54 0.00 0.00 0.00 175.76 171.29 2wro n ARG 95 N 8.86 0.13 -3.53 0.00 5.12 -1.26 -4.55 116.66 121.42 2wro n ARG 95 Ca 0.42 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.20 2wro n ARG 95 Cb 0.46 -1.26 -0.05 0.00 -1.16 0.00 0.00 32.46 30.45 2wro n ARG 95 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2wro s ARG 96 N -0.00 0.85 0.00 5.56 3.52 -1.26 -5.13 118.95 122.48 2wro s ARG 96 Ca 0.00 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 2wro s ARG 96 Cb 0.00 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 2wro s ARG 96 CO 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 175.30 174.20 2wro n ALA 97 N 0.58 0.00 -1.94 6.12 0.00 -1.26 -4.53 120.51 119.47 2wro n ALA 97 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 2wro n ALA 97 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 2wro n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wro s LYS 98 N 0.00 2.39 -0.30 0.00 3.01 -1.26 -4.73 119.74 118.85 2wro s LYS 98 Ca 0.00 0.12 0.04 0.00 -1.01 0.00 0.00 55.97 55.12 2wro s LYS 98 Cb 0.00 -4.85 0.49 0.00 -1.01 0.00 0.00 37.83 32.46 2wro s LYS 98 CO 0.00 -3.40 1.61 1.47 0.51 0.00 0.00 175.35 175.54 2wro n LEU 99 N 14.56 5.46 -0.27 3.17 -0.00 -1.26 -4.73 117.00 133.93 2wro n LEU 99 Ca 0.37 -2.88 0.29 0.00 -0.00 0.00 0.00 56.01 53.79 2wro n LEU 99 Cb 0.48 -0.72 0.45 0.00 -0.00 0.00 0.00 43.42 43.62 2wro n LEU 99 CO 0.62 0.83 1.14 -1.22 -0.00 0.00 0.00 177.39 178.77 2wro n TYR 100 N -0.50 0.00 -0.30 1.47 4.02 -1.26 -1.99 117.16 118.60 2wro n TYR 100 Ca 0.39 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.41 2wro n TYR 100 Cb 1.27 -0.27 0.30 0.00 -0.02 0.00 0.00 39.34 40.62 2wro n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wro h PHE 101 N 0.00 0.47 -1.38 -0.72 -0.00 -2.00 0.15 116.94 113.46 2wro h PHE 101 Ca 0.51 0.05 0.44 0.00 -0.00 0.00 0.00 57.97 58.97 2wro h PHE 101 Cb 2.72 -0.07 -0.10 0.00 -0.00 0.00 0.00 35.95 38.51 2wro h PHE 101 CO 0.00 -0.15 0.94 0.44 -0.00 0.00 0.00 178.31 179.54 2wro n ILE 102 N -5.16 -0.13 0.00 0.88 -5.35 -0.84 -1.81 119.36 106.95 2wro n ILE 102 Ca 0.22 1.43 0.00 0.00 -0.27 0.00 0.00 62.75 64.13 2wro n ILE 102 Cb 0.68 -2.35 0.00 0.00 -1.74 0.00 0.00 39.64 36.23 2wro n ILE 102 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2wro n ARG 103 N -4.09 0.00 0.15 6.28 1.74 0.52 -1.85 116.66 119.40 2wro n ARG 103 Ca 0.36 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2wro n ARG 103 Cb 1.49 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 32.37 2wro n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wro n ASN 104 N -0.08 0.00 -2.92 0.55 3.02 -0.75 -2.27 115.26 112.81 2wro n ASN 104 Ca 0.00 0.22 -0.14 0.00 -0.03 0.00 0.00 54.58 54.64 2wro n ASN 104 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 2wro n ASN 104 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wro n LEU 105 N -1.60 -1.39 -5.01 3.41 4.77 -1.17 -5.13 117.00 110.88 2wro n LEU 105 Ca 0.00 -4.04 -0.23 0.00 -0.03 0.00 0.00 56.01 51.72 2wro n LEU 105 Cb 0.68 0.80 0.11 0.00 -2.33 0.00 0.00 43.42 42.68 2wro n LEU 105 CO 0.00 2.09 0.53 -0.94 -1.33 0.00 0.00 177.39 177.74 2wro s SER 106 N -1.61 4.37 0.00 -1.43 1.04 -0.77 -4.59 113.70 110.72 2wro s SER 106 Ca 0.31 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2wro s SER 106 Cb 0.26 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2wro s SER 106 CO -0.13 -1.86 0.00 -0.90 0.98 0.00 0.00 173.24 171.33 2wro n ASP 107 N -2.76 0.00 -0.00 7.02 5.75 -1.26 -4.64 116.55 120.66 2wro n ASP 107 Ca 0.17 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 55.01 2wro n ASP 107 Cb 0.61 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.61 2wro n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wro n ARG 108 N 0.00 1.67 0.26 0.11 1.85 -1.26 -4.21 116.66 115.08 2wro n ARG 108 Ca 0.00 -0.06 0.13 0.00 -1.00 0.00 0.00 57.85 56.92 2wro n ARG 108 Cb 0.00 -1.20 0.72 0.00 -1.05 0.00 0.00 32.46 30.93 2wro n ARG 108 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wro h GLU 109 N 0.00 0.00 0.00 2.89 5.08 -1.87 -2.90 114.58 117.78 2wro h GLU 109 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wro h GLU 109 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2wro h GLU 109 CO 0.00 0.12 0.00 -0.89 -1.00 0.00 0.00 179.01 177.24 2wro n ILE 110 N -3.64 0.00 -2.26 3.13 2.08 -1.26 -3.37 119.36 114.04 2wro n ILE 110 Ca -0.02 1.42 -0.33 0.00 0.56 0.00 0.00 62.75 64.38 2wro n ILE 110 Cb 0.24 -2.26 -0.04 0.00 -0.75 0.00 0.00 39.64 36.83 2wro n ILE 110 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wro s ARG 111 N -2.70 3.04 0.00 0.38 1.70 -1.10 -1.36 118.95 118.92 2wro s ARG 111 Ca 0.00 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.00 2wro s ARG 111 Cb 0.00 -5.31 0.00 0.00 -0.57 0.00 0.00 34.95 29.07 2wro s ARG 111 CO 0.00 -3.22 0.00 2.89 -1.08 0.00 0.00 175.30 173.89 2wro n ARG 112 N 8.47 0.00 -0.01 3.89 1.85 -1.22 -4.88 116.66 124.75 2wro n ARG 112 Ca 0.44 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.36 2wro n ARG 112 Cb 0.47 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.75 2wro n ARG 112 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wro n LYS 113 N -0.01 0.59 -3.27 2.89 4.76 -0.47 -4.70 118.16 117.95 2wro n LYS 113 Ca 0.00 -0.13 -0.25 0.00 -2.87 0.00 0.00 58.31 55.06 2wro n LYS 113 Cb 0.00 -1.38 -0.07 0.00 -1.84 0.00 0.00 35.03 31.74 2wro n LYS 113 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wro n LEU 114 N -2.11 1.74 0.00 -0.35 4.77 -1.02 -4.85 117.00 115.18 2wro n LEU 114 Ca -0.05 -5.03 -0.29 0.00 -0.03 0.00 0.00 56.01 50.61 2wro n LEU 114 Cb 0.47 0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.90 2wro n LEU 114 CO 0.34 2.09 0.68 0.54 -1.33 0.00 0.00 177.39 179.71 2wro n ARG 115 N 1.07 -2.49 -2.32 3.23 5.12 -1.26 -4.75 116.66 115.26 2wro n ARG 115 Ca 0.25 -1.80 -0.42 0.00 -1.93 0.00 0.00 57.85 53.95 2wro n ARG 115 Cb 0.49 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.24 2wro n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wro s ALA 116 N -3.33 3.47 -1.00 7.54 0.00 -1.26 -4.12 121.76 123.05 2wro s ALA 116 Ca 0.71 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 2wro s ALA 116 Cb -0.05 -3.46 0.27 0.00 0.00 0.00 0.00 23.12 19.88 2wro s ALA 116 CO 0.53 -0.47 1.10 -3.47 0.00 0.00 0.00 175.76 173.45 2wro n ASP 117 N 3.18 5.26 -0.37 0.00 2.03 -1.25 -4.85 116.55 120.54 2wro n ASP 117 Ca 0.07 -3.22 0.32 0.00 0.52 0.00 0.00 54.79 52.48 2wro n ASP 117 Cb 0.44 -1.18 0.64 0.00 -0.72 0.00 0.00 41.12 40.30 2wro n ASP 117 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2wro h ARG 118 N 5.85 0.17 -0.91 -0.67 3.08 -1.93 0.38 114.38 120.35 2wro h ARG 118 Ca 0.18 -0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.48 2wro h ARG 118 Cb 0.76 -0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.61 2wro h ARG 118 CO 1.05 0.11 0.24 -0.22 -1.07 0.00 0.00 179.97 180.09 2wro h LYS 119 N 0.17 0.16 -0.91 0.04 3.64 -1.96 2.99 116.57 120.70 2wro h LYS 119 Ca 0.65 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.75 2wro h LYS 119 Cb 2.11 -0.04 -0.16 0.00 -0.41 0.00 0.00 32.23 33.73 2wro h LYS 119 CO -0.20 0.10 0.34 0.54 -2.27 0.00 0.00 179.45 177.97 2wro n ARG 120 N -5.27 2.46 0.04 1.90 1.74 0.13 -3.79 116.66 113.88 2wro n ARG 120 Ca 0.24 -2.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.10 2wro n ARG 120 Cb 0.76 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2wro n ARG 120 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wro n ILE 121 N -0.37 0.00 0.29 0.55 5.41 0.37 -4.66 119.36 120.95 2wro n ILE 121 Ca 0.37 0.00 0.14 0.00 1.00 0.00 0.00 62.75 64.26 2wro n ILE 121 Cb 1.24 -0.45 0.73 0.00 -0.71 0.00 0.00 39.64 40.44 2wro n ILE 121 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2wro h ASP 122 N 0.00 0.00 -0.38 4.38 3.32 0.46 2.24 116.42 126.44 2wro h ASP 122 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 2wro h ASP 122 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 2wro h ASP 122 CO 0.00 0.00 -0.25 0.00 -1.72 0.00 0.00 179.24 177.27 2wro n GLN 123 N -2.68 2.14 0.00 3.56 10.64 -1.25 -3.87 117.38 125.93 2wro n GLN 123 Ca -0.02 -3.41 0.00 0.00 -1.83 0.00 0.00 57.00 51.75 2wro n GLN 123 Cb 0.33 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.83 2wro n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wro n ASP 124 N -1.04 1.81 -0.63 2.61 9.92 0.74 -4.10 116.55 125.86 2wro n ASP 124 Ca 0.34 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.67 2wro n ASP 124 Cb 0.93 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 41.64 2wro n ASP 124 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2wro n ARG 125 N -2.53 1.81 -0.01 -1.24 5.12 -0.33 -2.66 116.66 116.82 2wro n ARG 125 Ca 0.00 -1.24 -0.01 0.00 -1.93 0.00 0.00 57.85 54.67 2wro n ARG 125 Cb 0.39 -1.32 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 2wro n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wro n ALA 126 N 0.49 1.97 -1.55 7.54 0.00 -1.25 -4.58 120.51 123.13 2wro n ALA 126 Ca 0.13 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 2wro n ALA 126 Cb 0.31 0.11 0.14 0.00 0.00 0.00 0.00 19.45 20.01 2wro n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro n ALA 127 N -1.99 4.87 1.10 0.00 0.00 -1.22 -4.55 120.51 118.71 2wro n ALA 127 Ca -0.04 -3.33 0.12 0.00 0.00 0.00 0.00 53.44 50.19 2wro n ALA 127 Cb 0.47 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.21 2wro n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wro n GLU 128 N -1.01 1.13 -0.41 0.00 -0.00 -1.09 -4.91 120.64 114.36 2wro n GLU 128 Ca 0.42 -0.86 0.00 0.00 -0.00 0.00 0.00 57.16 56.72 2wro n GLU 128 Cb 1.01 -1.48 0.00 0.00 -0.00 0.00 0.00 31.44 30.96 2wro n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2wro n ARG 129 N -0.19 -0.06 -1.81 3.44 3.00 -1.26 -4.85 116.66 114.93 2wro n ARG 129 Ca 0.11 0.07 -0.32 0.00 -0.00 0.00 0.00 57.85 57.70 2wro n ARG 129 Cb 0.43 -0.06 0.04 0.00 0.00 0.00 0.00 32.46 32.88 2wro n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wro n ALA 130 N 0.86 5.85 -1.63 5.13 0.00 -1.26 -4.98 120.51 124.48 2wro n ALA 130 Ca 0.00 -3.83 -0.23 0.00 0.00 0.00 0.00 53.44 49.38 2wro n ALA 130 Cb 0.01 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 2wro n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro s ALA 131 N -3.78 1.15 -0.89 0.00 0.00 -1.26 -4.73 121.76 112.25 2wro s ALA 131 Ca 0.56 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.97 2wro s ALA 131 Cb 0.45 -4.49 0.12 0.00 0.00 0.00 0.00 23.12 19.21 2wro s ALA 131 CO -0.11 -5.25 0.69 1.63 0.00 0.00 0.00 175.76 172.72 2wro n LYS 132 N 8.91 1.59 0.07 0.00 5.02 -1.26 -4.17 118.16 128.33 2wro n LYS 132 Ca 0.42 -0.48 0.04 0.00 -2.02 0.00 0.00 58.31 56.27 2wro n LYS 132 Cb 0.48 -1.62 0.23 0.00 -0.02 0.00 0.00 35.03 34.11 2wro n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wro n GLU 133 N 0.09 0.06 -1.62 1.97 2.13 -1.26 -4.76 120.64 117.25 2wro n GLU 133 Ca 0.04 0.53 -0.65 0.00 0.66 0.00 0.00 57.16 57.74 2wro n GLU 133 Cb 0.39 -1.74 -0.10 0.00 0.27 0.00 0.00 31.44 30.26 2wro n GLU 133 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2wro n GLU 134 N -1.78 0.10 -1.51 5.31 4.07 -1.26 -2.50 120.64 123.06 2wro n GLU 134 Ca -0.01 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2wro n GLU 134 Cb 0.07 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 2wro n GLU 134 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wro n ALA 135 N 5.08 -0.06 -1.73 4.31 0.00 -1.26 -5.00 120.51 121.86 2wro n ALA 135 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2wro n ALA 135 Cb -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2wro n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wro n GLN 136 N -0.84 0.00 0.00 0.00 -0.06 -1.04 -4.95 117.38 110.49 2wro n GLN 136 Ca 0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.93 2wro n GLN 136 Cb 0.39 -0.14 0.00 0.00 -4.06 0.00 0.00 30.24 26.44 2wro n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2wro n LYS 137 N 0.00 1.54 0.00 3.69 5.02 -1.26 -5.18 118.16 121.97 2wro n LYS 137 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wro n LYS 137 Cb 0.37 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 2wro n LYS 137 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88