#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3y n ASN 3 N 0.00 0.00 -4.70 4.04 5.15 -1.26 -5.04 115.26 113.44 3m3y n ASN 3 Ca 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 3m3y n ASN 3 Cb 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 3m3y n ASN 3 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3m3y n THR 4 N -1.25 2.81 -0.05 -0.44 -1.04 -1.26 -3.33 114.28 109.71 3m3y n THR 4 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3m3y n THR 4 Cb 0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 3m3y n THR 4 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3m3y n LEU 5 N -2.95 0.02 -3.65 -4.42 4.77 0.15 -4.95 117.00 105.98 3m3y n LEU 5 Ca 0.14 -0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 3m3y n LEU 5 Cb 0.50 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3m3y n LEU 5 CO 0.48 0.01 0.99 0.12 -1.33 0.00 0.00 177.39 177.65 3m3y s PHE 6 N -0.29 -0.21 0.03 -1.77 5.36 -1.19 -4.68 117.98 115.23 3m3y s PHE 6 Ca 0.00 0.49 0.02 0.00 -0.96 0.00 0.00 56.93 56.48 3m3y s PHE 6 Cb 0.00 0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 43.04 3m3y s PHE 6 CO 0.00 -0.10 -0.07 0.34 -1.46 0.00 0.00 175.22 173.93 3m3y s ASP 7 N 0.33 0.79 -0.06 6.13 2.15 -1.26 -1.26 116.67 123.48 3m3y s ASP 7 Ca 0.03 -0.41 -0.32 0.00 0.43 0.00 0.00 52.55 52.28 3m3y s ASP 7 Cb -0.05 0.00 0.13 0.00 -0.30 0.00 0.00 42.92 42.71 3m3y s ASP 7 CO -0.12 -0.12 1.29 -0.62 -0.17 0.00 0.00 175.17 175.42 3m3y s ASP 8 N -1.14 -0.07 -0.08 -0.34 3.68 -0.73 -5.02 116.67 112.97 3m3y s ASP 8 Ca -0.06 -0.10 0.01 0.00 2.13 0.00 0.00 52.55 54.52 3m3y s ASP 8 Cb -0.08 0.14 -0.03 0.00 -1.45 0.00 0.00 42.92 41.51 3m3y s ASP 8 CO 0.00 -0.26 -0.08 -0.63 0.13 0.00 0.00 175.17 174.33 3m3y s ILE 9 N -2.38 3.58 0.18 4.11 1.01 -1.26 -1.22 121.20 125.21 3m3y s ILE 9 Ca 0.13 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.35 3m3y s ILE 9 Cb 0.04 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3m3y s ILE 9 CO -0.04 0.58 -0.18 -0.36 0.00 0.00 0.00 174.94 174.94 3m3y s PHE 10 N -0.55 1.83 -0.24 3.97 0.40 -0.27 -2.20 117.98 120.91 3m3y s PHE 10 Ca 0.08 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 3m3y s PHE 10 Cb -0.12 -0.89 0.05 0.00 0.51 0.00 0.00 43.02 42.57 3m3y s PHE 10 CO 0.02 0.36 -0.13 -1.14 0.70 0.00 0.00 175.22 175.03 3m3y s GLN 11 N -3.01 2.45 0.32 0.44 0.74 0.50 -1.45 119.66 119.66 3m3y s GLN 11 Ca 0.18 -1.21 -0.28 0.00 0.05 0.00 0.00 55.36 54.10 3m3y s GLN 11 Cb -0.05 -2.82 -0.13 0.00 1.10 0.00 0.00 33.01 31.11 3m3y s GLN 11 CO 0.07 -0.48 1.25 0.28 -0.55 0.00 0.00 175.29 175.86 3m3y n VAL 12 N 4.49 1.88 -0.64 1.34 0.31 -0.81 -2.28 118.33 122.62 3m3y n VAL 12 Ca -0.16 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 3m3y n VAL 12 Cb 0.44 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 3m3y n VAL 12 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3m3y n SER 13 N 1.01 0.46 -3.36 4.52 3.41 0.27 -3.16 113.62 116.76 3m3y n SER 13 Ca 0.06 -1.10 0.02 0.00 -0.26 0.00 0.00 58.87 57.60 3m3y n SER 13 Cb 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3m3y n SER 13 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3m3y s GLU 14 N -0.10 0.31 -0.01 4.33 2.12 -1.19 -4.94 118.70 119.22 3m3y s GLU 14 Ca 0.00 0.73 -0.09 0.00 0.36 0.00 0.00 54.97 55.97 3m3y s GLU 14 Cb 0.00 0.43 -0.05 0.00 0.26 0.00 0.00 34.13 34.77 3m3y s GLU 14 CO 0.00 -0.15 0.30 0.54 -0.54 0.00 0.00 175.26 175.41 3m3y s VAL 15 N 2.57 5.24 -0.29 3.70 0.11 -1.26 -2.02 120.40 128.45 3m3y s VAL 15 Ca -0.01 0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 59.38 3m3y s VAL 15 Cb -0.07 -3.58 0.11 0.00 -1.53 0.00 0.00 36.38 31.30 3m3y s VAL 15 CO -0.17 0.45 0.16 -0.62 -3.33 0.00 0.00 175.10 171.59 3m3y s ASP 16 N -1.45 3.16 -1.40 3.54 -1.08 -1.01 -4.99 116.67 113.45 3m3y s ASP 16 Ca 0.25 -1.17 -0.10 0.00 -0.52 0.00 0.00 52.55 51.01 3m3y s ASP 16 Cb -0.14 -0.19 0.08 0.00 -1.46 0.00 0.00 42.92 41.21 3m3y s ASP 16 CO 0.14 -0.43 2.23 -0.81 0.52 0.00 0.00 175.17 176.81 3m3y n PRO 17 N 5.26 3.50 -0.81 4.34 -0.04 -1.26 -2.71 135.00 143.29 3m3y n PRO 17 Ca -0.05 -3.01 -0.43 0.00 -0.04 0.00 0.00 63.50 59.97 3m3y n PRO 17 Cb 0.43 -2.99 -0.10 0.00 -0.04 0.00 0.00 33.50 30.80 3m3y n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m3y n GLY 18 N 3.21 1.16 2.41 0.55 0.00 -1.26 -3.55 105.19 107.69 3m3y n GLY 18 Ca 0.53 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 3m3y n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m3y n ARG 19 N 7.69 -1.73 -4.42 1.61 5.12 -1.26 -5.04 116.66 118.63 3m3y n ARG 19 Ca 0.48 1.01 -0.28 0.00 -1.93 0.00 0.00 57.85 57.12 3m3y n ARG 19 Cb 0.42 -5.67 -0.08 0.00 -1.16 0.00 0.00 32.46 25.97 3m3y n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3m3y s TYR 20 N -3.04 2.34 -0.09 -1.55 4.12 -1.23 -5.06 117.35 112.84 3m3y s TYR 20 Ca 0.01 -0.72 0.16 0.00 0.02 0.00 0.00 57.07 56.55 3m3y s TYR 20 Cb -0.00 -1.82 0.35 0.00 -1.52 0.00 0.00 41.96 38.97 3m3y s TYR 20 CO 0.01 0.23 1.16 0.09 0.02 0.00 0.00 175.55 177.06 3m3y n ASN 21 N -1.19 1.27 0.00 2.29 3.02 -1.26 -4.78 115.26 114.61 3m3y n ASN 21 Ca -0.06 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 3m3y n ASN 21 Cb 0.66 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3m3y n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3m3y n LYS 22 N -0.36 0.90 -4.14 3.52 5.02 -1.26 -4.78 118.16 117.05 3m3y n LYS 22 Ca 0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 3m3y n LYS 22 Cb 0.87 -0.07 -0.11 0.00 -0.02 0.00 0.00 35.03 35.69 3m3y n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m3y s VAL 23 N 0.00 0.83 -0.17 -0.18 1.01 -1.26 -1.51 120.40 119.11 3m3y s VAL 23 Ca 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.45 3m3y s VAL 23 Cb 0.00 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.32 3m3y s VAL 23 CO 0.00 -0.48 0.38 0.00 0.00 0.00 0.00 175.10 175.00 3m3y s ARG 25 N 2.00 4.39 -0.05 0.00 3.52 -1.10 -1.42 118.95 126.30 3m3y s ARG 25 Ca -0.05 1.44 0.05 0.00 -0.13 0.00 0.00 55.73 57.04 3m3y s ARG 25 Cb -0.10 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 3m3y s ARG 25 CO -0.12 -0.37 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.30 3m3y s ILE 26 N 2.18 2.58 -0.00 4.11 1.10 0.33 -2.40 121.20 129.10 3m3y s ILE 26 Ca 0.49 -0.90 0.05 0.00 -0.51 0.00 0.00 60.65 59.78 3m3y s ILE 26 Cb -0.19 -1.97 -0.03 0.00 0.15 0.00 0.00 42.46 40.42 3m3y s ILE 26 CO 0.17 0.58 -0.13 -0.70 -2.11 0.00 0.00 174.94 172.75 3m3y s GLU 27 N -0.49 2.39 0.24 3.50 2.56 -0.86 0.52 118.70 126.56 3m3y s GLU 27 Ca 0.06 -0.79 -0.19 0.00 0.00 0.00 0.00 54.97 54.05 3m3y s GLU 27 Cb -0.11 -2.36 0.02 0.00 2.00 0.00 0.00 34.13 33.67 3m3y s GLU 27 CO 0.01 0.59 0.61 0.00 -0.56 0.00 0.00 175.26 175.91 3m3y s ALA 28 N -0.89 -0.98 0.00 6.30 0.00 0.94 -0.57 121.76 126.56 3m3y s ALA 28 Ca 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3m3y s ALA 28 Cb -0.11 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 3m3y s ALA 28 CO 0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 175.76 174.84 3m3y s ALA 29 N -3.91 0.40 0.33 0.00 0.00 -0.97 -1.29 121.76 116.31 3m3y s ALA 29 Ca 0.12 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 3m3y s ALA 29 Cb -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.91 3m3y s ALA 29 CO 0.03 0.07 1.35 0.45 0.00 0.00 0.00 175.76 177.67 3m3y s SER 30 N -0.31 6.69 0.00 0.00 0.15 -1.06 -0.37 113.70 118.79 3m3y s SER 30 Ca -0.00 2.74 0.27 0.00 0.70 0.00 0.00 55.95 59.67 3m3y s SER 30 Cb -0.03 -2.65 1.58 0.00 -1.71 0.00 0.00 66.02 63.21 3m3y s SER 30 CO -0.00 -0.61 2.02 0.35 1.20 0.00 0.00 173.24 176.20 3m3y n THR 31 N 0.96 0.01 -0.03 6.45 -2.24 -0.93 -4.17 114.28 114.32 3m3y n THR 31 Ca 0.01 -0.03 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 3m3y n THR 31 Cb 0.41 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 3m3y n THR 31 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3m3y n THR 32 N -0.81 1.26 -3.41 4.28 -1.04 -1.26 -5.04 114.28 108.25 3m3y n THR 32 Ca 0.20 0.19 -0.38 0.00 -2.04 0.00 0.00 64.05 62.02 3m3y n THR 32 Cb 0.12 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 66.64 3m3y n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3m3y s GLN 33 N -2.41 4.13 0.38 -2.82 -1.52 -1.26 -4.97 119.66 111.18 3m3y s GLN 33 Ca -0.15 0.12 0.18 0.00 -1.95 0.00 0.00 55.36 53.55 3m3y s GLN 33 Cb 0.03 -3.57 0.74 0.00 -0.22 0.00 0.00 33.01 29.99 3m3y s GLN 33 CO 0.22 -0.09 1.77 -0.44 -0.25 0.00 0.00 175.29 176.50 3m3y h ASP 34 N 7.57 0.00 -0.74 5.90 3.32 -1.96 -3.16 116.42 127.35 3m3y h ASP 34 Ca -0.35 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.28 3m3y h ASP 34 Cb 1.16 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 3m3y h ASP 34 CO 0.69 0.37 0.47 0.00 -1.72 0.00 0.00 179.24 179.05 3m3y n GLN 35 N -3.66 2.09 -3.36 3.56 10.64 -1.26 -4.91 117.38 120.47 3m3y n GLN 35 Ca -0.01 -2.01 -0.10 0.00 -1.83 0.00 0.00 57.00 53.05 3m3y n GLN 35 Cb 0.47 -1.86 -0.08 0.00 -0.86 0.00 0.00 30.24 27.91 3m3y n GLN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3m3y s LYS 37 N 2.53 1.85 -0.09 0.00 -2.85 -1.21 -2.57 119.74 117.40 3m3y s LYS 37 Ca 0.12 -2.00 -0.08 0.00 -1.00 0.00 0.00 55.97 53.01 3m3y s LYS 37 Cb -0.15 -1.61 0.02 0.00 -2.06 0.00 0.00 37.83 34.03 3m3y s LYS 37 CO -0.15 0.04 0.24 -1.17 0.10 0.00 0.00 175.35 174.41 3m3y s LEU 38 N -3.63 1.08 -0.06 2.77 2.96 -0.42 -2.20 118.68 119.18 3m3y s LEU 38 Ca 0.33 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 3m3y s LEU 38 Cb 0.06 0.83 0.02 0.00 0.50 0.00 0.00 46.19 47.59 3m3y s LEU 38 CO 0.17 -0.08 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.14 3m3y s THR 39 N 0.13 0.86 -0.06 3.68 2.01 -0.78 -0.04 115.64 121.44 3m3y s THR 39 Ca -0.00 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 3m3y s THR 39 Cb -0.02 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.69 3m3y s THR 39 CO 0.00 0.30 0.32 -0.22 -0.69 0.00 0.00 174.62 174.33 3m3y s LEU 40 N 0.81 0.80 -0.37 4.42 2.96 0.19 -1.28 118.68 126.21 3m3y s LEU 40 Ca -0.12 0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 53.95 3m3y s LEU 40 Cb -0.15 1.20 0.00 0.00 0.50 0.00 0.00 46.19 47.75 3m3y s LEU 40 CO 0.02 -0.30 0.53 -1.81 -1.32 0.00 0.00 176.35 173.47 3m3y s ASP 41 N -0.64 6.31 -0.08 3.68 1.01 -0.30 0.12 116.67 126.77 3m3y s ASP 41 Ca -0.07 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.08 3m3y s ASP 41 Cb -0.04 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 3m3y s ASP 41 CO 0.02 -0.53 -0.13 -0.63 0.21 0.00 0.00 175.17 174.12 3m3y s ILE 42 N 2.44 3.18 -1.02 0.77 -1.09 -0.50 -4.72 121.20 120.25 3m3y s ILE 42 Ca 0.19 -0.66 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 3m3y s ILE 42 Cb -0.15 -2.28 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 3m3y s ILE 42 CO 0.14 0.57 1.86 0.21 -1.23 0.00 0.00 174.94 176.49 3m3y s ASN 43 N -0.38 5.40 0.00 3.58 3.84 -1.26 -1.63 114.94 124.50 3m3y s ASN 43 Ca 0.04 -1.15 0.12 0.00 0.21 0.00 0.00 52.86 52.07 3m3y s ASN 43 Cb -0.12 -2.57 0.69 0.00 -0.55 0.00 0.00 41.25 38.69 3m3y s ASN 43 CO 0.02 -2.57 1.12 0.52 -2.79 0.00 0.00 177.10 173.41 3m3y n VAL 44 N 7.63 0.00 0.03 -5.21 0.31 -0.57 -1.15 118.33 119.37 3m3y n VAL 44 Ca 0.41 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.85 3m3y n VAL 44 Cb 0.47 -0.61 -0.11 0.00 -0.91 0.00 0.00 33.84 32.68 3m3y n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3m3y n GLU 45 N -0.86 0.64 -0.10 5.55 2.13 -1.25 -3.57 120.64 123.17 3m3y n GLU 45 Ca 0.09 -0.07 -0.16 0.00 0.66 0.00 0.00 57.16 57.67 3m3y n GLU 45 Cb 0.04 -1.63 -0.06 0.00 0.27 0.00 0.00 31.44 30.06 3m3y n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3m3y n LEU 46 N -2.43 1.92 -4.00 4.31 4.77 -0.30 -4.80 117.00 116.47 3m3y n LEU 46 Ca -0.03 0.39 -0.32 0.00 -0.03 0.00 0.00 56.01 56.02 3m3y n LEU 46 Cb 0.58 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 3m3y n LEU 46 CO 0.44 0.01 0.13 0.12 -1.33 0.00 0.00 177.39 176.76 3m3y s PHE 47 N -2.62 3.70 0.45 -1.77 5.36 -0.78 -5.09 117.98 117.22 3m3y s PHE 47 Ca -0.30 -3.17 -0.25 0.00 -0.96 0.00 0.00 56.93 52.25 3m3y s PHE 47 Cb 0.07 -2.97 -0.08 0.00 -0.34 0.00 0.00 43.02 39.70 3m3y s PHE 47 CO 0.43 -0.65 1.43 -2.14 -1.46 0.00 0.00 175.22 172.83 3m3y s PRO 48 N -1.31 3.69 -0.07 10.12 0.02 -1.23 -4.57 135.00 141.64 3m3y s PRO 48 Ca 0.25 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.68 3m3y s PRO 48 Cb -0.07 -2.66 0.03 0.00 0.02 0.00 0.00 34.50 31.82 3m3y s PRO 48 CO -0.14 -0.81 -0.00 0.08 -0.33 0.00 0.00 177.00 175.80 3m3y s VAL 49 N -1.20 0.43 0.59 3.83 1.01 -1.26 -5.07 120.40 118.72 3m3y s VAL 49 Ca 0.61 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 3m3y s VAL 49 Cb -0.44 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3m3y s VAL 49 CO 0.56 0.27 0.93 0.00 0.00 0.00 0.00 175.10 176.86 3m3y s ALA 50 N 1.93 3.22 0.98 5.51 0.00 -1.26 -4.98 121.76 127.16 3m3y s ALA 50 Ca 0.05 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 3m3y s ALA 50 Cb -0.12 -2.75 0.18 0.00 0.00 0.00 0.00 23.12 20.42 3m3y s ALA 50 CO -0.05 -0.75 1.09 0.00 0.00 0.00 0.00 175.76 176.05 3m3y s ALA 51 N -3.03 1.01 0.00 0.00 0.00 -1.26 -3.54 121.76 114.94 3m3y s ALA 51 Ca 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3m3y s ALA 51 Cb -0.11 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3m3y s ALA 51 CO 0.48 -2.78 0.00 1.04 0.00 0.00 0.00 175.76 174.49 3m3y n GLN 52 N -4.16 -0.83 -0.59 0.00 1.13 -1.19 -4.95 117.38 106.79 3m3y n GLN 52 Ca 0.06 0.15 -0.30 0.00 -1.94 0.00 0.00 57.00 54.96 3m3y n GLN 52 Cb 0.56 -3.81 0.21 0.00 0.11 0.00 0.00 30.24 27.31 3m3y n GLN 52 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3m3y n ASP 53 N 0.07 -1.77 -3.40 1.08 8.00 -1.23 -4.79 116.55 114.50 3m3y n ASP 53 Ca 0.00 -0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.27 3m3y n ASP 53 Cb 0.15 -1.18 -0.09 0.00 -0.02 0.00 0.00 41.12 39.97 3m3y n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3m3y s SER 54 N -2.20 1.72 -0.11 -2.24 1.04 -1.26 -1.93 113.70 108.72 3m3y s SER 54 Ca 0.63 -1.20 -0.08 0.00 0.48 0.00 0.00 55.95 55.78 3m3y s SER 54 Cb -0.20 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3m3y s SER 54 CO 0.65 -0.34 0.17 -0.76 0.98 0.00 0.00 173.24 173.94 3m3y s LEU 55 N 1.91 4.39 0.10 2.42 1.43 -0.53 -4.84 118.68 123.57 3m3y s LEU 55 Ca 0.13 0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 3m3y s LEU 55 Cb -0.15 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 3m3y s LEU 55 CO -0.20 0.39 0.91 -0.89 0.23 0.00 0.00 176.35 176.79 3m3y s THR 56 N -0.96 4.53 -0.01 5.49 2.01 -1.15 -1.11 115.64 124.43 3m3y s THR 56 Ca 0.16 1.96 0.02 0.00 0.31 0.00 0.00 61.69 64.13 3m3y s THR 56 Cb -0.13 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.12 3m3y s THR 56 CO 0.05 0.34 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 3m3y s VAL 57 N -0.11 0.49 -0.03 3.82 1.01 -0.36 -1.56 120.40 123.66 3m3y s VAL 57 Ca 0.44 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 3m3y s VAL 57 Cb -0.23 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.74 3m3y s VAL 57 CO 0.28 0.16 0.33 -0.89 0.00 0.00 0.00 175.10 174.98 3m3y s THR 58 N 0.10 0.05 -0.20 3.92 2.01 -0.57 -1.77 115.64 119.18 3m3y s THR 58 Ca -0.01 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.60 3m3y s THR 58 Cb -0.05 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.86 3m3y s THR 58 CO -0.00 -0.22 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.92 3m3y s ILE 59 N -1.15 2.26 0.00 1.82 -1.09 -0.39 -0.40 121.20 122.25 3m3y s ILE 59 Ca -0.12 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.30 3m3y s ILE 59 Cb -0.05 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 3m3y s ILE 59 CO 0.04 0.42 0.00 0.00 -1.23 0.00 0.00 174.94 174.17 3m3y n ALA 60 N 4.61 0.00 -2.69 9.38 0.00 -0.96 0.31 120.51 131.17 3m3y n ALA 60 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.23 3m3y n ALA 60 Cb 0.49 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.02 3m3y n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3m3y n SER 61 N -2.82 -0.18 0.00 0.00 3.41 -1.21 -2.66 113.62 110.16 3m3y n SER 61 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3m3y n SER 61 Cb 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3m3y n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3m3y n SER 62 N -1.01 0.85 -3.12 4.04 3.41 -1.26 -4.68 113.62 111.86 3m3y n SER 62 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 3m3y n SER 62 Cb 0.85 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.78 3m3y n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3m3y n LEU 63 N 0.00 0.91 -3.65 1.04 4.77 -1.26 -5.05 117.00 113.77 3m3y n LEU 63 Ca 0.00 -1.38 -0.01 0.00 -0.03 0.00 0.00 56.01 54.59 3m3y n LEU 63 Cb 0.00 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.43 3m3y n LEU 63 CO 0.00 -1.11 1.02 0.28 -1.33 0.00 0.00 177.39 176.25 3m3y s THR 76 N 5.12 0.00 0.27 -5.08 -1.32 -1.26 -4.68 115.64 108.69 3m3y s THR 76 Ca 0.18 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.36 3m3y s THR 76 Cb 0.04 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.94 3m3y s THR 76 CO 0.06 0.00 1.28 -0.13 -2.21 0.00 0.00 174.62 173.62 3m3y s ARG 77 N 0.54 4.41 0.39 7.08 0.52 -1.26 -4.96 118.95 125.67 3m3y s ARG 77 Ca -0.00 2.09 -0.24 0.00 -0.52 0.00 0.00 55.73 57.05 3m3y s ARG 77 Cb -0.04 -3.14 -0.12 0.00 0.52 0.00 0.00 34.95 32.17 3m3y s ARG 77 CO -0.13 -0.16 0.80 -1.13 0.02 0.00 0.00 175.30 174.70 3m3y n SER 78 N 1.68 0.27 -4.56 0.23 3.41 -1.26 -4.73 113.62 108.66 3m3y n SER 78 Ca 0.03 1.01 -0.31 0.00 -0.26 0.00 0.00 58.87 59.34 3m3y n SER 78 Cb 0.43 -1.22 -0.04 0.00 -0.26 0.00 0.00 64.21 63.11 3m3y n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3m3y s TRP 79 N -1.30 1.89 0.18 7.33 -0.00 -1.26 -4.95 118.94 120.83 3m3y s TRP 79 Ca 0.63 0.44 -0.33 0.00 -0.00 0.00 0.00 56.10 56.84 3m3y s TRP 79 Cb -0.62 -4.16 -0.15 0.00 -0.00 0.00 0.00 33.47 28.54 3m3y s TRP 79 CO 0.58 -1.89 1.34 0.54 -0.00 0.00 0.00 176.95 177.52 3m3y n ARG 80 N 8.94 1.62 -1.72 5.86 1.74 -1.26 -4.95 116.66 126.89 3m3y n ARG 80 Ca 0.34 0.58 -0.41 0.00 -0.77 0.00 0.00 57.85 57.59 3m3y n ARG 80 Cb 0.49 -2.20 0.01 0.00 -1.02 0.00 0.00 32.46 29.73 3m3y n ARG 80 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3m3y n PRO 81 N 2.25 2.13 -2.45 5.56 -0.04 -1.26 -4.96 135.00 136.23 3m3y n PRO 81 Ca 0.15 0.75 -0.23 0.00 -0.04 0.00 0.00 63.50 64.13 3m3y n PRO 81 Cb 0.27 -2.44 0.07 0.00 -0.04 0.00 0.00 33.50 31.35 3m3y n PRO 81 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3m3y s PRO 82 N -2.14 2.20 -0.45 0.54 0.05 -1.26 -5.05 135.00 128.90 3m3y s PRO 82 Ca 0.58 -0.64 0.07 0.00 0.05 0.00 0.00 61.00 61.06 3m3y s PRO 82 Cb -0.51 -2.33 0.24 0.00 0.05 0.00 0.00 34.50 31.95 3m3y s PRO 82 CO 0.60 -1.09 0.70 1.04 0.05 0.00 0.00 177.00 178.30 3m3y n GLN 83 N -2.68 0.71 0.10 4.56 6.02 -1.26 -5.10 117.38 119.72 3m3y n GLN 83 Ca 0.09 -2.44 -0.20 0.00 -0.01 0.00 0.00 57.00 54.45 3m3y n GLN 83 Cb 0.60 -1.37 -0.15 0.00 1.02 0.00 0.00 30.24 30.34 3m3y n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m3y h ALA 84 N 4.12 0.10 -0.00 -1.58 0.00 -1.97 0.80 119.26 120.73 3m3y h ALA 84 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3m3y h ALA 84 Cb 0.97 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3m3y h ALA 84 CO 0.37 0.96 -0.01 0.41 0.00 0.00 0.00 179.25 180.99 3m3y n GLY 85 N 1.67 -0.80 0.01 0.00 0.00 -1.26 -1.80 105.19 103.02 3m3y n GLY 85 Ca -0.16 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3m3y n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m3y n ASP 86 N -0.76 0.39 0.00 1.61 4.64 -0.88 -5.00 116.55 116.55 3m3y n ASP 86 Ca 0.22 -0.15 0.00 0.00 -1.38 0.00 0.00 54.79 53.48 3m3y n ASP 86 Cb 0.18 1.80 0.00 0.00 -1.04 0.00 0.00 41.12 42.06 3m3y n ASP 86 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3m3y n ARG 87 N -2.10 3.63 -3.86 -0.67 1.74 0.27 -5.02 116.66 110.64 3m3y n ARG 87 Ca -0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 3m3y n ARG 87 Cb 0.50 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.82 3m3y n ARG 87 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3m3y s SER 88 N 0.13 4.87 0.00 0.55 0.15 -1.22 -4.91 113.70 113.27 3m3y s SER 88 Ca 0.00 -2.59 0.17 0.00 0.70 0.00 0.00 55.95 54.23 3m3y s SER 88 Cb 0.00 -1.74 0.74 0.00 -1.71 0.00 0.00 66.02 63.31 3m3y s SER 88 CO 0.00 -0.37 1.53 0.00 1.20 0.00 0.00 173.24 175.60 3m3y n LEU 89 N 3.76 0.00 0.00 3.45 -0.00 -1.15 -4.81 117.00 118.26 3m3y n LEU 89 Ca 0.04 0.46 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 3m3y n LEU 89 Cb 0.38 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 3m3y n LEU 89 CO 0.31 -0.20 0.00 0.00 -0.00 0.00 0.00 177.39 177.50 3m3y n ALA 90 N -1.46 0.00 -1.19 1.47 0.00 -1.26 -4.47 120.51 113.60 3m3y n ALA 90 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3m3y n ALA 90 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3m3y n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3m3y n ASP 91 N 1.61 0.00 -2.21 0.00 5.75 -1.26 -4.95 116.55 115.48 3m3y n ASP 91 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 3m3y n ASP 91 Cb 0.01 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 3m3y n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3m3y n ASP 92 N -0.88 -4.10 -4.98 -1.12 3.85 -1.26 -5.01 116.55 103.06 3m3y n ASP 92 Ca 0.00 0.20 -0.20 0.00 -0.71 0.00 0.00 54.79 54.08 3m3y n ASP 92 Cb 0.00 -3.54 -0.01 0.00 -1.35 0.00 0.00 41.12 36.22 3m3y n ASP 92 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3m3y s TYR 93 N -2.57 3.30 -0.07 2.11 1.51 -1.26 -5.05 117.35 115.32 3m3y s TYR 93 Ca 0.00 -0.07 0.15 0.00 -1.01 0.00 0.00 57.07 56.14 3m3y s TYR 93 Cb 0.00 -1.80 0.15 0.00 -0.11 0.00 0.00 41.96 40.20 3m3y s TYR 93 CO 0.00 0.19 1.48 -0.44 -1.11 0.00 0.00 175.55 175.67 3m3y h ASP 94 N 0.99 0.00 -2.26 2.29 5.19 -1.52 -3.47 116.42 117.64 3m3y h ASP 94 Ca -0.49 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 55.99 3m3y h ASP 94 Cb 1.24 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.55 3m3y h ASP 94 CO 0.57 0.53 -0.06 -0.47 -3.12 0.00 0.00 179.24 176.69 3m3y s TYR 95 N -3.05 -1.22 -0.18 4.55 5.04 -1.08 -4.97 117.35 116.43 3m3y s TYR 95 Ca 0.03 2.21 -0.04 0.00 -2.44 0.00 0.00 57.07 56.83 3m3y s TYR 95 Cb 0.08 0.73 0.09 0.00 0.35 0.00 0.00 41.96 43.22 3m3y s TYR 95 CO 0.74 -0.61 0.26 0.08 -1.34 0.00 0.00 175.55 174.68 3m3y s VAL 96 N 2.48 -0.40 0.33 3.14 1.01 -1.26 0.57 120.40 126.28 3m3y s VAL 96 Ca -0.07 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.03 3m3y s VAL 96 Cb -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3m3y s VAL 96 CO -0.19 -0.08 0.07 -0.04 0.00 0.00 0.00 175.10 174.85 3m3y s MET 97 N 2.39 2.22 -0.25 2.72 1.00 -0.09 -4.98 119.30 122.31 3m3y s MET 97 Ca 0.06 -1.64 0.01 0.00 0.00 0.00 0.00 55.69 54.13 3m3y s MET 97 Cb -0.14 -2.05 0.07 0.00 0.00 0.00 0.00 34.83 32.70 3m3y s MET 97 CO -0.11 0.14 -0.04 -0.47 0.00 0.00 0.00 175.02 174.54 3m3y s TYR 98 N -2.46 2.59 0.20 -0.03 5.04 -1.26 -1.72 117.35 119.71 3m3y s TYR 98 Ca 0.36 -1.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.04 3m3y s TYR 98 Cb -0.02 -1.76 -0.00 0.00 0.35 0.00 0.00 41.96 40.53 3m3y s TYR 98 CO 0.21 -0.81 0.01 0.41 -1.34 0.00 0.00 175.55 174.02 3m3y n GLY 99 N 4.61 3.91 3.31 8.97 0.00 -0.67 -4.53 105.19 120.80 3m3y n GLY 99 Ca -0.10 -2.23 -0.25 0.00 0.00 0.00 0.00 46.02 43.44 3m3y n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m3y s THR 100 N -1.81 1.83 -0.12 2.61 2.01 0.70 -4.37 115.64 116.49 3m3y s THR 100 Ca 0.01 -1.61 -0.16 0.00 0.31 0.00 0.00 61.69 60.24 3m3y s THR 100 Cb 0.00 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 3m3y s THR 100 CO 0.01 -0.05 0.41 0.00 -0.69 0.00 0.00 174.62 174.30 3m3y s ALA 101 N -1.20 3.54 0.00 7.40 0.00 -1.25 -0.40 121.76 129.85 3m3y s ALA 101 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3m3y s ALA 101 Cb -0.10 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.50 3m3y s ALA 101 CO 0.05 0.09 0.07 2.48 0.00 0.00 0.00 175.76 178.45 3m3y n TYR 102 N 3.40 0.00 -3.57 0.00 0.18 -0.59 -4.76 117.16 111.83 3m3y n TYR 102 Ca -0.10 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.54 3m3y n TYR 102 Cb 0.52 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.42 3m3y n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3m3y s LYS 103 N -0.67 0.86 -0.17 -3.48 2.36 -1.26 -5.02 119.74 112.36 3m3y s LYS 103 Ca 0.00 0.42 -0.00 0.00 -2.55 0.00 0.00 55.97 53.84 3m3y s LYS 103 Cb 0.00 0.41 0.04 0.00 -1.05 0.00 0.00 37.83 37.23 3m3y s LYS 103 CO 0.00 -0.23 -0.06 -0.06 1.55 0.00 0.00 175.35 176.55 3m3y s PHE 104 N -0.72 1.79 -0.19 4.03 0.40 -1.26 -2.47 117.98 119.56 3m3y s PHE 104 Ca -0.05 -1.13 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 3m3y s PHE 104 Cb -0.02 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 42.17 3m3y s PHE 104 CO 0.05 -0.63 -0.17 -2.00 0.70 0.00 0.00 175.22 173.17 3m3y s GLU 105 N 1.61 3.04 -0.54 0.44 2.12 -0.49 -5.01 118.70 119.86 3m3y s GLU 105 Ca 0.01 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.25 3m3y s GLU 105 Cb -0.15 -2.65 0.01 0.00 0.26 0.00 0.00 34.13 31.61 3m3y s GLU 105 CO -0.08 -0.22 1.41 -1.21 -0.54 0.00 0.00 175.26 174.63 3m3y s GLU 106 N 1.32 3.33 0.00 4.30 0.41 -1.26 -1.27 118.70 125.52 3m3y s GLU 106 Ca 0.05 0.51 0.10 0.00 -0.41 0.00 0.00 54.97 55.22 3m3y s GLU 106 Cb -0.13 -4.11 0.62 0.00 -1.78 0.00 0.00 34.13 28.72 3m3y s GLU 106 CO -0.11 -1.90 1.13 0.28 -0.49 0.00 0.00 175.26 174.17 3m3y n VAL 107 N 6.89 0.00 -0.66 2.63 0.31 0.25 -4.96 118.33 122.78 3m3y n VAL 107 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3m3y n VAL 107 Cb 0.49 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3m3y n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3m3y n SER 108 N -0.75 -3.96 0.00 4.52 3.41 -1.03 -4.86 113.62 110.95 3m3y n SER 108 Ca 0.08 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 3m3y n SER 108 Cb 0.04 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 3m3y n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m3y n LYS 109 N -1.30 0.00 -3.96 4.33 5.02 -1.26 -3.37 118.16 117.62 3m3y n LYS 109 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3m3y n LYS 109 Cb 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.10 3m3y n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3m3y n ASP 110 N 0.00 -4.49 0.00 4.39 5.75 -1.26 -5.02 116.55 115.92 3m3y n ASP 110 Ca 0.00 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 3m3y n ASP 110 Cb 0.00 -1.99 0.00 0.00 -1.03 0.00 0.00 41.12 38.10 3m3y n ASP 110 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3m3y n LEU 111 N -4.55 0.00 -4.19 -2.12 4.77 -1.22 -5.03 117.00 104.67 3m3y n LEU 111 Ca -0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.55 3m3y n LEU 111 Cb 0.58 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.51 3m3y n LEU 111 CO 0.72 0.00 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.61 3m3y s ILE 112 N 0.00 1.82 -0.03 -0.08 1.09 -1.17 -0.59 121.20 122.25 3m3y s ILE 112 Ca 0.00 -0.90 0.07 0.00 -1.10 0.00 0.00 60.65 58.71 3m3y s ILE 112 Cb 0.00 -1.56 -0.02 0.00 -1.06 0.00 0.00 42.46 39.82 3m3y s ILE 112 CO 0.00 0.51 -0.23 0.00 -0.10 0.00 0.00 174.94 175.12 3m3y s ALA 113 N 0.17 1.93 0.09 9.38 0.00 -0.40 -0.09 121.76 132.84 3m3y s ALA 113 Ca -0.11 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 50.94 3m3y s ALA 113 Cb -0.15 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3m3y s ALA 113 CO 0.05 0.45 -0.14 0.14 0.00 0.00 0.00 175.76 176.27 3m3y s VAL 114 N -0.44 3.13 -0.14 0.00 -7.23 -0.37 -1.40 120.40 113.95 3m3y s VAL 114 Ca 0.06 -1.28 -0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3m3y s VAL 114 Cb -0.10 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 3m3y s VAL 114 CO 0.00 0.18 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.53 3m3y s TYR 115 N -1.12 2.82 -0.03 2.82 1.51 -1.03 -2.22 117.35 120.10 3m3y s TYR 115 Ca 0.19 -0.69 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 3m3y s TYR 115 Cb -0.11 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3m3y s TYR 115 CO 0.10 -0.25 -0.18 0.71 -1.11 0.00 0.00 175.55 174.83 3m3y s TYR 116 N 0.44 1.66 -0.19 2.71 1.51 0.65 -1.54 117.35 122.59 3m3y s TYR 116 Ca -0.10 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 3m3y s TYR 116 Cb -0.16 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 3m3y s TYR 116 CO 0.05 -0.08 -0.18 0.45 -1.11 0.00 0.00 175.55 174.68 3m3y s SER 117 N -0.24 3.35 -0.97 2.29 0.15 0.46 -0.27 113.70 118.46 3m3y s SER 117 Ca 0.03 -0.78 -0.07 0.00 0.70 0.00 0.00 55.95 55.83 3m3y s SER 117 Cb -0.09 -1.47 0.24 0.00 -1.71 0.00 0.00 66.02 63.00 3m3y s SER 117 CO 0.00 -0.04 0.91 -0.36 1.20 0.00 0.00 173.24 174.95 3m3y s PHE 118 N 1.27 4.03 -1.62 3.44 0.40 0.17 -0.22 117.98 125.46 3m3y s PHE 118 Ca 0.02 -2.74 -0.12 0.00 -0.60 0.00 0.00 56.93 53.50 3m3y s PHE 118 Cb -0.14 -3.58 0.10 0.00 0.51 0.00 0.00 43.02 39.91 3m3y s PHE 118 CO -0.11 -0.87 0.58 0.41 0.70 0.00 0.00 175.22 175.93 3m3y n GLY 119 N 2.76 -0.34 0.39 4.36 0.00 -1.26 -1.87 105.19 109.22 3m3y n GLY 119 Ca 0.21 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3m3y n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3y n GLY 120 N -1.67 3.42 3.61 -0.02 0.00 -1.26 -5.01 105.19 104.26 3m3y n GLY 120 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3m3y n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m3y s LEU 121 N 0.00 3.71 0.32 0.99 1.43 -0.78 -5.02 118.68 119.33 3m3y s LEU 121 Ca 0.00 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 3m3y s LEU 121 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3m3y s LEU 121 CO 0.00 -1.21 0.51 -0.76 0.23 0.00 0.00 176.35 175.12 3m3y s LEU 122 N 4.54 4.08 -0.14 1.79 1.43 -1.26 -0.65 118.68 128.47 3m3y s LEU 122 Ca 0.52 0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.92 3m3y s LEU 122 Cb -0.11 -3.23 0.05 0.00 0.03 0.00 0.00 46.19 42.93 3m3y s LEU 122 CO 0.28 -0.25 0.33 -0.32 0.23 0.00 0.00 176.35 176.63 3m3y s MET 123 N -4.22 0.33 -0.13 1.70 -2.45 0.63 -1.15 119.30 114.01 3m3y s MET 123 Ca 0.39 0.61 -0.00 0.00 -1.25 0.00 0.00 55.69 55.44 3m3y s MET 123 Cb -0.10 0.01 0.02 0.00 1.25 0.00 0.00 34.83 36.01 3m3y s MET 123 CO 0.34 -0.13 -0.11 0.50 1.05 0.00 0.00 175.02 176.68 3m3y s ARG 124 N 1.00 1.89 -0.03 4.11 3.00 -0.41 -0.25 118.95 128.26 3m3y s ARG 124 Ca -0.07 -0.40 0.06 0.00 -1.00 0.00 0.00 55.73 54.33 3m3y s ARG 124 Cb -0.07 -1.83 -0.02 0.00 0.00 0.00 0.00 34.95 33.03 3m3y s ARG 124 CO -0.08 -0.25 -0.22 -1.17 0.00 0.00 0.00 175.30 173.59 3m3y s LEU 125 N 1.61 2.31 -0.06 -0.88 2.96 -0.94 -1.86 118.68 121.81 3m3y s LEU 125 Ca 0.05 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3m3y s LEU 125 Cb -0.13 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.17 3m3y s LEU 125 CO -0.09 0.33 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.53 3m3y s GLU 126 N -0.64 0.84 0.00 1.98 2.12 -0.93 -1.23 118.70 120.83 3m3y s GLU 126 Ca 0.10 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.39 3m3y s GLU 126 Cb -0.10 -0.98 0.00 0.00 0.26 0.00 0.00 34.13 33.31 3m3y s GLU 126 CO -0.00 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 3m3y n GLY 127 N 4.56 2.79 1.30 -1.50 0.00 0.87 -3.31 105.19 109.89 3m3y n GLY 127 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3m3y n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m3y n ASN 128 N 0.00 -0.69 0.26 1.61 5.15 -1.26 -3.02 115.26 117.31 3m3y n ASN 128 Ca 0.00 0.19 0.16 0.00 -0.60 0.00 0.00 54.58 54.33 3m3y n ASN 128 Cb 0.00 0.92 0.61 0.00 -0.53 0.00 0.00 39.78 40.79 3m3y n ASN 128 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 3m3y h TYR 129 N 0.00 0.00 0.00 1.20 -0.00 -2.00 -3.38 116.97 112.79 3m3y h TYR 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3m3y h TYR 129 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3m3y h TYR 129 CO 0.00 0.05 0.00 0.54 -0.00 0.00 0.00 178.16 178.75 3m3y n ARG 130 N -3.16 0.00 0.00 0.10 1.74 -1.26 -2.73 116.66 111.36 3m3y n ARG 130 Ca 0.01 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3m3y n ARG 130 Cb 0.34 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3m3y n ARG 130 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3m3y n ASN 131 N -1.93 0.00 -0.03 0.55 0.23 -1.26 -0.75 115.26 112.07 3m3y n ASN 131 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3m3y n ASN 131 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3m3y n ASN 131 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3m3y n LEU 132 N -1.24 0.00 0.00 -4.53 4.77 -1.10 -1.58 117.00 113.31 3m3y n LEU 132 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3m3y n LEU 132 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3m3y n LEU 132 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 3m3y n ASN 133 N -0.24 0.00 -4.21 -1.43 2.85 0.07 -5.06 115.26 107.24 3m3y n ASN 133 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 3m3y n ASN 133 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 3m3y n ASN 133 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3m3y s ASN 134 N 0.00 5.90 0.68 1.20 0.01 -0.61 -4.90 114.94 117.22 3m3y s ASN 134 Ca 0.00 -2.53 -0.12 0.00 -0.71 0.00 0.00 52.86 49.50 3m3y s ASN 134 Cb 0.00 -2.03 -0.00 0.00 0.41 0.00 0.00 41.25 39.63 3m3y s ASN 134 CO 0.00 -0.53 1.06 -0.76 -1.51 0.00 0.00 177.10 175.35 3m3y s LEU 135 N 0.42 3.20 0.00 0.60 1.43 -1.26 -4.85 118.68 118.22 3m3y s LEU 135 Ca 0.14 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 3m3y s LEU 135 Cb -0.19 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.53 3m3y s LEU 135 CO -0.04 -1.39 0.09 1.17 0.23 0.00 0.00 176.35 176.40 3m3y n LYS 136 N -2.93 0.09 -4.07 1.70 3.00 -1.26 -4.86 118.16 109.83 3m3y n LYS 136 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.17 3m3y n LYS 136 Cb 0.53 -1.43 -0.05 0.00 0.00 0.00 0.00 35.03 34.08 3m3y n LYS 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3m3y s GLN 137 N 0.80 2.68 0.00 1.64 0.74 -1.26 -4.92 119.66 119.34 3m3y s GLN 137 Ca 0.00 -1.25 0.00 0.00 0.05 0.00 0.00 55.36 54.16 3m3y s GLN 137 Cb 0.00 -2.41 0.00 0.00 1.10 0.00 0.00 33.01 31.70 3m3y s GLN 137 CO 0.00 0.28 0.10 0.39 -0.55 0.00 0.00 175.29 175.50 3m3y n GLU 138 N -1.17 0.00 -0.08 1.67 -0.58 -1.26 -3.81 120.64 115.41 3m3y n GLU 138 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3m3y n GLU 138 Cb 0.59 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 3m3y n GLU 138 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3m3y n ASN 139 N -0.49 0.00 -0.67 1.62 5.03 -1.26 -4.77 115.26 114.71 3m3y n ASN 139 Ca 0.00 -0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.35 3m3y n ASN 139 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3m3y n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3m3y n ALA 140 N -3.00 -2.65 -3.64 5.41 0.00 -1.25 -4.16 120.51 111.22 3m3y n ALA 140 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3m3y n ALA 140 Cb 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.12 3m3y n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3m3y s TYR 141 N 0.00 3.42 0.08 0.00 1.51 -1.09 -1.67 117.35 119.61 3m3y s TYR 141 Ca 0.00 -2.06 -0.30 0.00 -1.01 0.00 0.00 57.07 53.70 3m3y s TYR 141 Cb 0.00 -2.69 -0.06 0.00 -0.11 0.00 0.00 41.96 39.11 3m3y s TYR 141 CO 0.00 -0.87 1.10 -1.17 -1.11 0.00 0.00 175.55 173.50 3m3y s LEU 142 N 1.23 4.41 0.06 -1.29 2.96 -0.70 -2.26 118.68 123.08 3m3y s LEU 142 Ca 0.02 1.94 0.09 0.00 -0.22 0.00 0.00 54.13 55.95 3m3y s LEU 142 Cb -0.21 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 3m3y s LEU 142 CO -0.02 -0.32 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.71 3m3y s LEU 143 N 0.56 2.39 0.12 -0.68 1.02 0.46 -0.91 118.68 121.64 3m3y s LEU 143 Ca 0.54 -0.54 0.07 0.00 0.02 0.00 0.00 54.13 54.21 3m3y s LEU 143 Cb -0.27 -1.39 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 3m3y s LEU 143 CO 0.31 0.24 -0.16 -0.63 0.02 0.00 0.00 176.35 176.13 3m3y s ILE 144 N -0.90 1.43 -0.15 -0.59 1.01 0.19 -1.51 121.20 120.68 3m3y s ILE 144 Ca 0.13 -1.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.09 3m3y s ILE 144 Cb -0.10 -1.50 0.07 0.00 0.01 0.00 0.00 42.46 40.94 3m3y s ILE 144 CO 0.04 -0.30 0.31 0.00 0.00 0.00 0.00 174.94 174.99 3m3y s ARG 145 N -2.39 0.21 0.00 2.79 1.70 -0.60 -1.18 118.95 119.48 3m3y s ARG 145 Ca 0.07 0.81 0.00 0.00 -0.47 0.00 0.00 55.73 56.15 3m3y s ARG 145 Cb -0.07 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.37 3m3y s ARG 145 CO 0.04 -0.26 0.00 0.54 -1.08 0.00 0.00 175.30 174.54