#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avg n GLU 2 N 0.00 1.16 0.00 0.00 1.02 -1.26 -0.88 120.64 120.68 1avg n GLU 2 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1avg n GLU 2 Cb 0.00 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 28.61 1avg n GLU 2 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1avg n GLY 3 N 6.22 1.28 3.77 0.62 0.00 -1.26 -5.12 105.19 110.71 1avg n GLY 3 Ca 0.40 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 1avg n GLY 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1avg s ASP 4 N -0.23 7.00 -0.33 1.61 1.01 -0.06 -5.03 116.67 120.65 1avg s ASP 4 Ca 0.00 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.47 1avg s ASP 4 Cb 0.00 -2.61 0.14 0.00 1.01 0.00 0.00 42.92 41.45 1avg s ASP 4 CO 0.00 -0.33 0.27 -0.62 0.21 0.00 0.00 175.17 174.70 1avg s ASP 5 N -1.14 2.16 0.55 0.27 2.15 -1.26 -4.66 116.67 114.74 1avg s ASP 5 Ca 0.51 -1.44 0.25 0.00 0.43 0.00 0.00 52.55 52.29 1avg s ASP 5 Cb -0.28 0.16 1.47 0.00 -0.30 0.00 0.00 42.92 43.96 1avg s ASP 5 CO 0.36 -0.34 2.05 0.00 -0.17 0.00 0.00 175.17 177.08 1avg h SER 7 N 0.00 0.35 -0.51 0.00 0.02 -1.97 -2.43 113.55 109.01 1avg h SER 7 Ca 0.15 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.91 1avg h SER 7 Cb 0.67 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.03 1avg h SER 7 CO -0.00 0.25 0.25 2.30 -1.14 0.00 0.00 176.83 178.49 1avg n ILE 8 N -4.88 2.10 -2.43 3.27 -5.35 -0.80 -4.90 119.36 106.36 1avg n ILE 8 Ca 0.01 -1.05 -0.04 0.00 -0.27 0.00 0.00 62.75 61.40 1avg n ILE 8 Cb 0.06 -0.56 0.02 0.00 -1.74 0.00 0.00 39.64 37.43 1avg n ILE 8 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1avg n GLU 9 N -0.16 0.55 -3.71 6.28 -0.58 -0.91 -5.05 120.64 117.06 1avg n GLU 9 Ca 0.29 -0.53 -0.20 0.00 -0.42 0.00 0.00 57.16 56.29 1avg n GLU 9 Cb 1.07 -0.11 -0.18 0.00 -0.57 0.00 0.00 31.44 31.65 1avg n GLU 9 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1avg s LYS 10 N -2.84 0.09 0.90 3.49 2.20 -1.26 -5.09 119.74 117.22 1avg s LYS 10 Ca 0.13 0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.92 1avg s LYS 10 Cb -0.01 -0.60 0.13 0.00 -1.51 0.00 0.00 37.83 35.85 1avg s LYS 10 CO 0.08 -0.31 1.09 0.00 -0.36 0.00 0.00 175.35 175.86 1avg s ALA 11 N 2.03 1.53 -1.51 3.13 0.00 -1.26 -4.69 121.76 120.99 1avg s ALA 11 Ca 0.04 -0.09 0.25 0.00 0.00 0.00 0.00 51.96 52.16 1avg s ALA 11 Cb -0.12 -3.18 1.29 0.00 0.00 0.00 0.00 23.12 21.10 1avg s ALA 11 CO -0.03 -2.37 1.83 0.00 0.00 0.00 0.00 175.76 175.19 1avg n MET 12 N -3.89 0.42 0.00 0.00 0.00 -0.28 -4.94 117.12 108.42 1avg n MET 12 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1avg n MET 12 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.27 1avg n MET 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1avg n GLY 13 N 0.78 0.89 0.52 3.17 0.00 -1.26 -4.38 105.19 104.91 1avg n GLY 13 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1avg n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1avg n ASP 14 N 2.10 0.73 -4.67 1.61 5.75 -1.26 -4.85 116.55 115.96 1avg n ASP 14 Ca 0.00 -1.34 -0.42 0.00 -0.01 0.00 0.00 54.79 53.01 1avg n ASP 14 Cb 0.00 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 39.73 1avg n ASP 14 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1avg s PHE 15 N -0.94 2.68 -0.69 2.11 5.36 -1.26 -4.97 117.98 120.26 1avg s PHE 15 Ca 0.00 0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 56.62 1avg s PHE 15 Cb 0.00 -3.64 0.18 0.00 -0.34 0.00 0.00 43.02 39.22 1avg s PHE 15 CO 0.00 -2.37 0.63 0.15 -1.46 0.00 0.00 175.22 172.16 1avg s LYS 16 N 3.16 3.25 0.43 10.12 -0.14 -1.26 -4.95 119.74 130.34 1avg s LYS 16 Ca 0.62 -2.18 0.26 0.00 -1.36 0.00 0.00 55.97 53.31 1avg s LYS 16 Cb -0.27 -4.30 1.32 0.00 -1.68 0.00 0.00 37.83 32.89 1avg s LYS 16 CO 0.22 -1.29 1.68 -1.00 -0.76 0.00 0.00 175.35 174.21 1avg h PRO 17 N 8.13 0.19 0.00 -1.68 0.13 -1.99 -0.43 132.00 136.33 1avg h PRO 17 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1avg h PRO 17 Cb 1.06 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1avg h PRO 17 CO 0.85 0.12 0.00 -1.91 -0.23 0.00 0.00 178.00 176.83 1avg n GLU 18 N -4.64 0.20 0.07 0.86 4.07 -1.26 -0.56 120.64 119.38 1avg n GLU 18 Ca 0.32 0.18 -0.03 0.00 -0.06 0.00 0.00 57.16 57.57 1avg n GLU 18 Cb 1.23 -1.74 -0.07 0.00 -0.06 0.00 0.00 31.44 30.80 1avg n GLU 18 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1avg h GLU 19 N 0.00 0.00 0.00 5.31 5.08 -1.47 -3.37 114.58 120.13 1avg h GLU 19 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1avg h GLU 19 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1avg h GLU 19 CO 0.00 0.69 -0.30 0.35 -1.00 0.00 0.00 179.01 178.75 1avg h PHE 20 N 0.00 0.00 0.00 4.33 3.04 -1.47 -3.39 116.94 119.45 1avg h PHE 20 Ca -0.06 0.00 -0.67 0.00 3.98 0.00 0.00 57.97 61.22 1avg h PHE 20 Cb 1.65 0.00 0.01 0.00 2.56 0.00 0.00 35.95 40.17 1avg h PHE 20 CO 0.00 0.40 2.73 1.19 -2.02 0.00 0.00 178.31 180.61 1avg n PHE 21 N -4.66 2.60 -3.62 0.41 3.72 0.27 -4.65 117.46 111.53 1avg n PHE 21 Ca -0.08 -2.37 -0.03 0.00 -0.05 0.00 0.00 57.45 54.91 1avg n PHE 21 Cb 0.25 -2.10 -0.06 0.00 -0.94 0.00 0.00 39.48 36.63 1avg n PHE 21 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1avg s ASN 22 N 4.05 -0.72 0.00 4.37 2.47 -1.26 -4.31 114.94 119.53 1avg s ASN 22 Ca 0.52 1.12 0.00 0.00 0.42 0.00 0.00 52.86 54.93 1avg s ASN 22 Cb 0.14 1.41 0.00 0.00 -1.45 0.00 0.00 41.25 41.36 1avg s ASN 22 CO 0.01 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 173.83 1avg n GLY 23 N 4.20 -0.95 3.17 1.21 0.00 -1.26 -4.93 105.19 106.63 1avg n GLY 23 Ca -0.18 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 1avg n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1avg s THR 24 N 0.00 1.58 -0.02 2.61 2.01 -1.26 -0.63 115.64 119.94 1avg s THR 24 Ca 0.00 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1avg s THR 24 Cb 0.00 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1avg s THR 24 CO 0.00 0.45 -0.18 0.26 -0.69 0.00 0.00 174.62 174.46 1avg s TRP 25 N -0.06 1.65 -0.10 4.92 0.52 -0.35 -4.75 118.94 120.77 1avg s TRP 25 Ca -0.03 -0.32 -0.01 0.00 0.02 0.00 0.00 56.10 55.77 1avg s TRP 25 Cb -0.12 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.11 1avg s TRP 25 CO 0.02 -0.03 -0.05 0.71 0.02 0.00 0.00 176.95 177.62 1avg s TYR 26 N -0.42 3.00 -0.20 -1.98 1.51 0.60 -1.17 117.35 118.70 1avg s TYR 26 Ca 0.07 -0.06 -0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1avg s TYR 26 Cb -0.07 -1.80 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1avg s TYR 26 CO -0.01 0.24 0.03 -1.17 -1.11 0.00 0.00 175.55 173.53 1avg s LEU 27 N -0.45 1.29 0.07 -1.29 2.96 0.73 -0.14 118.68 121.84 1avg s LEU 27 Ca 0.07 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 53.14 1avg s LEU 27 Cb -0.12 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1avg s LEU 27 CO 0.02 -0.30 0.11 0.00 -1.32 0.00 0.00 176.35 174.86 1avg s ALA 28 N 1.83 3.68 -2.21 5.97 0.00 -1.26 0.33 121.76 130.09 1avg s ALA 28 Ca -0.01 -0.96 0.21 0.00 0.00 0.00 0.00 51.96 51.20 1avg s ALA 28 Cb -0.17 -1.54 0.53 0.00 0.00 0.00 0.00 23.12 21.94 1avg s ALA 28 CO -0.08 0.77 1.45 0.72 0.00 0.00 0.00 175.76 178.62 1avg n HIS 29 N 0.47 0.65 0.00 0.00 8.25 -0.35 -4.84 115.22 119.40 1avg n HIS 29 Ca -0.08 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1avg n HIS 29 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1avg n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1avg n GLY 30 N 1.47 1.01 0.28 -1.41 0.00 -1.26 -5.02 105.19 100.26 1avg n GLY 30 Ca 0.20 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1avg n GLY 30 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1avg h PRO 31 N 0.00 -0.46 0.27 1.61 0.11 -2.01 -3.34 132.00 128.18 1avg h PRO 31 Ca 0.00 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1avg h PRO 31 Cb 0.00 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1avg h PRO 31 CO 0.00 -0.31 -0.13 0.78 -0.21 0.00 0.00 178.00 178.13 1avg h GLY 32 N -0.48 -0.38 -4.71 -0.55 0.00 -2.02 -3.47 103.07 91.47 1avg h GLY 32 Ca 0.02 0.14 -0.62 0.00 0.00 0.00 0.00 47.33 46.87 1avg h GLY 32 CO -0.11 -0.14 0.04 3.33 0.00 0.00 0.00 176.54 179.66 1avg n VAL 33 N -5.03 0.02 -0.86 4.60 0.24 -1.26 -4.86 118.33 111.19 1avg n VAL 33 Ca -0.08 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1avg n VAL 33 Cb 0.25 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1avg n VAL 33 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1avg n THR 34 N 1.16 0.05 -3.77 3.34 5.66 -1.26 -4.61 114.28 114.85 1avg n THR 34 Ca 0.16 -0.09 -0.13 0.00 -3.05 0.00 0.00 64.05 60.94 1avg n THR 34 Cb 0.06 1.55 -0.12 0.00 -1.55 0.00 0.00 70.33 70.28 1avg n THR 34 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1avg s SER 35 N -0.05 -0.26 0.45 1.09 0.01 -1.26 -4.07 113.70 109.61 1avg s SER 35 Ca 0.00 0.51 -0.20 0.00 1.31 0.00 0.00 55.95 57.57 1avg s SER 35 Cb 0.00 0.48 -0.10 0.00 0.21 0.00 0.00 66.02 66.61 1avg s SER 35 CO 0.00 -0.11 0.97 -2.16 0.41 0.00 0.00 173.24 172.35 1avg s PRO 36 N 0.48 4.12 0.06 12.44 0.04 -1.26 -4.20 135.00 146.68 1avg s PRO 36 Ca -0.03 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 1avg s PRO 36 Cb -0.04 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1avg s PRO 36 CO -0.02 -0.13 0.41 0.00 0.04 0.00 0.00 177.00 177.30 1avg s ALA 37 N -2.20 3.71 -0.07 8.56 0.00 -1.26 -1.84 121.76 128.66 1avg s ALA 37 Ca 0.62 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 1avg s ALA 37 Cb -0.10 -2.32 0.04 0.00 0.00 0.00 0.00 23.12 20.74 1avg s ALA 37 CO 0.16 0.53 0.15 0.08 0.00 0.00 0.00 175.76 176.68 1avg s VAL 38 N -1.30 -0.09 -0.21 0.00 1.01 -0.60 -4.53 120.40 114.67 1avg s VAL 38 Ca 0.30 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 1avg s VAL 38 Cb -0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1avg s VAL 38 CO 0.16 0.09 0.16 0.00 0.00 0.00 0.00 175.10 175.52 1avg s GLN 40 N 0.67 3.22 -0.28 0.00 -0.21 -0.12 -1.87 119.66 121.07 1avg s GLN 40 Ca 0.09 -0.76 -0.09 0.00 0.02 0.00 0.00 55.36 54.62 1avg s GLN 40 Cb -0.12 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.27 1avg s GLN 40 CO 0.01 0.06 0.13 0.15 -2.12 0.00 0.00 175.29 173.53 1avg s LYS 41 N 0.70 3.64 -0.05 2.91 1.02 -0.12 -0.82 119.74 127.02 1avg s LYS 41 Ca -0.07 -0.51 -0.04 0.00 0.02 0.00 0.00 55.97 55.37 1avg s LYS 41 Cb -0.16 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1avg s LYS 41 CO 0.02 -0.26 0.14 -0.06 -0.92 0.00 0.00 175.35 174.27 1avg s PHE 42 N 1.66 3.50 -0.14 3.18 0.40 0.11 -0.58 117.98 126.12 1avg s PHE 42 Ca 0.06 0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 56.75 1avg s PHE 42 Cb -0.16 -1.85 0.05 0.00 0.51 0.00 0.00 43.02 41.56 1avg s PHE 42 CO 0.07 0.66 0.03 -0.08 0.70 0.00 0.00 175.22 176.59 1avg s THR 43 N -1.18 0.39 0.08 0.64 -1.32 -0.73 -1.25 115.64 112.27 1avg s THR 43 Ca 0.21 -0.21 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1avg s THR 43 Cb -0.12 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1avg s THR 43 CO 0.12 -0.01 1.04 0.28 -2.21 0.00 0.00 174.62 173.84 1avg s THR 44 N 1.94 4.43 -1.00 5.08 -1.32 0.27 -1.92 115.64 123.13 1avg s THR 44 Ca 0.02 1.88 -0.24 0.00 -1.21 0.00 0.00 61.69 62.13 1avg s THR 44 Cb -0.15 -4.20 -0.09 0.00 -1.51 0.00 0.00 72.50 66.55 1avg s THR 44 CO -0.07 0.22 2.02 -0.44 -2.21 0.00 0.00 174.62 174.14 1avg s SER 45 N 0.52 4.77 0.00 8.08 0.01 -1.26 -3.65 113.70 122.17 1avg s SER 45 Ca 0.51 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1avg s SER 45 Cb -0.25 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1avg s SER 45 CO 0.30 -3.20 0.00 0.61 0.41 0.00 0.00 173.24 171.36 1avg n GLY 46 N 6.44 -1.20 2.25 3.44 0.00 -1.26 -4.99 105.19 109.88 1avg n GLY 46 Ca 0.43 0.51 -0.21 0.00 0.00 0.00 0.00 46.02 46.75 1avg n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1avg n SER 47 N 0.00 6.24 0.00 1.61 3.41 -1.26 -4.94 113.62 118.68 1avg n SER 47 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1avg n SER 47 Cb 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 1avg n SER 47 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1avg n LYS 48 N 1.04 0.00 -3.49 4.33 4.81 -1.24 -4.79 118.16 118.82 1avg n LYS 48 Ca 0.42 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.67 1avg n LYS 48 Cb 0.62 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.73 1avg n LYS 48 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1avg n GLY 49 N 0.00 -0.51 3.57 3.14 0.00 -1.26 -0.56 105.19 109.57 1avg n GLY 49 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1avg n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1avg s PHE 50 N -3.47 1.54 -0.08 1.61 5.36 -1.24 -4.20 117.98 117.52 1avg s PHE 50 Ca 0.10 1.34 -0.14 0.00 -0.96 0.00 0.00 56.93 57.27 1avg s PHE 50 Cb -0.02 -3.71 -0.05 0.00 -0.34 0.00 0.00 43.02 38.90 1avg s PHE 50 CO 0.76 -1.29 0.36 0.99 -1.46 0.00 0.00 175.22 174.58 1avg s THR 51 N 13.21 5.18 -0.31 0.12 2.01 -0.38 -4.24 115.64 131.23 1avg s THR 51 Ca 0.78 0.72 -0.08 0.00 0.31 0.00 0.00 61.69 63.41 1avg s THR 51 Cb -0.06 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1avg s THR 51 CO 0.10 0.49 0.11 -1.10 -0.69 0.00 0.00 174.62 173.53 1avg s GLN 52 N -0.36 3.13 -0.29 4.92 -0.21 0.20 0.07 119.66 127.12 1avg s GLN 52 Ca 0.21 -0.84 -0.09 0.00 0.02 0.00 0.00 55.36 54.65 1avg s GLN 52 Cb -0.15 -3.46 -0.02 0.00 1.00 0.00 0.00 33.01 30.37 1avg s GLN 52 CO 0.09 -0.46 0.14 0.42 -2.12 0.00 0.00 175.29 173.36 1avg s ILE 53 N 1.53 4.67 -0.41 1.08 -1.09 0.00 -1.22 121.20 125.77 1avg s ILE 53 Ca 0.03 -0.22 -0.15 0.00 -2.23 0.00 0.00 60.65 58.09 1avg s ILE 53 Cb -0.17 -3.29 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 1avg s ILE 53 CO 0.04 0.19 0.30 -0.69 -1.23 0.00 0.00 174.94 173.55 1avg s VAL 54 N 1.65 5.21 -0.16 2.92 1.01 -0.31 -0.94 120.40 129.77 1avg s VAL 54 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1avg s VAL 54 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1avg s VAL 54 CO 0.06 -0.32 0.16 -0.70 0.00 0.00 0.00 175.10 174.31 1avg s GLU 55 N 1.67 3.96 0.02 2.72 2.12 -0.49 -0.20 118.70 128.49 1avg s GLU 55 Ca 0.05 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.31 1avg s GLU 55 Cb -0.19 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1avg s GLU 55 CO 0.10 0.45 -0.19 0.42 -0.54 0.00 0.00 175.26 175.50 1avg s ILE 56 N -0.11 1.51 0.00 -3.70 1.01 0.15 -1.56 121.20 118.50 1avg s ILE 56 Ca 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1avg s ILE 56 Cb -0.12 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1avg s ILE 56 CO 0.01 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1avg n GLY 57 N 2.23 0.61 3.44 6.18 0.00 -0.77 -1.21 105.19 115.67 1avg n GLY 57 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1avg n GLY 57 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1avg s TYR 58 N -2.36 2.88 -0.12 1.61 5.04 -1.26 -4.79 117.35 118.35 1avg s TYR 58 Ca 0.00 -0.90 0.08 0.00 -2.44 0.00 0.00 57.07 53.81 1avg s TYR 58 Cb 0.00 -4.23 0.43 0.00 0.35 0.00 0.00 41.96 38.50 1avg s TYR 58 CO 0.00 -1.53 1.08 0.27 -1.34 0.00 0.00 175.55 174.03 1avg n ASN 59 N 7.06 0.20 0.10 4.32 0.23 -1.26 -1.42 115.26 124.49 1avg n ASN 59 Ca 0.04 0.44 0.13 0.00 -0.53 0.00 0.00 54.58 54.65 1avg n ASN 59 Cb 0.46 -0.38 0.31 0.00 -2.08 0.00 0.00 39.78 38.09 1avg n ASN 59 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1avg h LYS 60 N 0.00 0.00 -5.97 -3.83 1.79 -2.01 -3.46 116.57 103.09 1avg h LYS 60 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 1avg h LYS 60 Cb 0.64 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 1avg h LYS 60 CO 0.00 0.00 -0.53 -0.06 -1.08 0.00 0.00 179.45 177.78 1avg s PHE 61 N -3.13 3.42 0.21 -1.35 0.08 -0.50 -5.10 117.98 111.60 1avg s PHE 61 Ca 0.09 0.22 -0.20 0.00 0.12 0.00 0.00 56.93 57.16 1avg s PHE 61 Cb 0.12 -1.74 -0.08 0.00 -0.57 0.00 0.00 43.02 40.75 1avg s PHE 61 CO 0.64 0.58 0.73 -2.00 -0.10 0.00 0.00 175.22 175.07 1avg s GLU 62 N -2.29 4.29 0.39 0.44 2.56 -1.26 -4.75 118.70 118.08 1avg s GLU 62 Ca 0.31 0.91 0.10 0.00 0.00 0.00 0.00 54.97 56.29 1avg s GLU 62 Cb -0.13 -2.93 0.89 0.00 2.00 0.00 0.00 34.13 33.96 1avg s GLU 62 CO 0.23 0.42 1.94 0.66 -0.56 0.00 0.00 175.26 177.95 1avg h SER 63 N 3.54 0.53 -1.21 -1.70 4.64 -1.94 -3.13 113.55 114.29 1avg h SER 63 Ca -0.48 0.02 -0.64 0.00 -0.47 0.00 0.00 61.79 60.22 1avg h SER 63 Cb 1.20 -0.10 -0.35 0.00 -0.31 0.00 0.00 62.40 62.84 1avg h SER 63 CO 0.65 0.31 0.10 0.59 -0.87 0.00 0.00 176.83 177.61 1avg n ASN 64 N -4.49 6.28 -4.30 4.97 3.02 -1.26 -4.50 115.26 114.96 1avg n ASN 64 Ca 0.12 -3.77 -0.31 0.00 -0.03 0.00 0.00 54.58 50.59 1avg n ASN 64 Cb 0.37 -0.70 -0.16 0.00 -0.61 0.00 0.00 39.78 38.67 1avg n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1avg s VAL 65 N -4.94 2.04 0.01 2.41 1.01 -1.18 -5.02 120.40 114.73 1avg s VAL 65 Ca 0.55 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1avg s VAL 65 Cb 0.45 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1avg s VAL 65 CO -0.10 0.58 -0.12 -0.54 0.00 0.00 0.00 175.10 174.91 1avg s LYS 66 N -0.57 2.35 -0.05 2.72 1.02 -1.26 -3.83 119.74 120.12 1avg s LYS 66 Ca 0.09 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.31 1avg s LYS 66 Cb -0.10 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1avg s LYS 66 CO -0.01 0.58 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.71 1avg s PHE 67 N -0.94 2.26 -0.30 3.18 0.40 -0.78 -2.12 117.98 119.67 1avg s PHE 67 Ca 0.15 -0.63 -0.06 0.00 -0.60 0.00 0.00 56.93 55.80 1avg s PHE 67 Cb -0.11 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.96 1avg s PHE 67 CO 0.06 -0.18 0.06 -0.65 0.70 0.00 0.00 175.22 175.21 1avg s GLN 68 N -0.20 2.87 -0.16 0.44 -1.52 0.63 -0.94 119.66 120.77 1avg s GLN 68 Ca -0.01 -1.00 -0.04 0.00 -1.95 0.00 0.00 55.36 52.35 1avg s GLN 68 Cb -0.13 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 1avg s GLN 68 CO 0.03 -0.52 -0.02 0.00 -0.25 0.00 0.00 175.29 174.53 1avg s ASN 70 N 0.39 2.95 0.32 0.00 3.04 -0.46 -1.78 114.94 119.40 1avg s ASN 70 Ca -0.03 -0.50 -0.29 0.00 0.04 0.00 0.00 52.86 52.09 1avg s ASN 70 Cb -0.14 -0.89 -0.10 0.00 -1.54 0.00 0.00 41.25 38.58 1avg s ASN 70 CO 0.02 0.22 1.33 -1.58 -3.04 0.00 0.00 177.10 174.05 1avg s GLN 71 N -0.07 4.34 0.46 0.43 0.74 -0.81 -1.85 119.66 122.91 1avg s GLN 71 Ca -0.06 2.24 0.04 0.00 0.05 0.00 0.00 55.36 57.63 1avg s GLN 71 Cb -0.14 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 1avg s GLN 71 CO 0.04 -0.23 0.03 0.14 -0.55 0.00 0.00 175.29 174.72 1avg s VAL 72 N -0.97 1.62 -2.50 1.34 -7.23 -0.68 -4.66 120.40 107.32 1avg s VAL 72 Ca 0.50 -1.97 0.23 0.00 -1.81 0.00 0.00 61.98 58.94 1avg s VAL 72 Cb -0.40 -2.59 0.41 0.00 0.56 0.00 0.00 36.38 34.36 1avg s VAL 72 CO 0.52 0.00 1.47 0.47 -0.31 0.00 0.00 175.10 177.25 1avg n ASP 73 N -1.14 2.49 -4.76 4.85 9.92 -1.26 -4.52 116.55 122.12 1avg n ASP 73 Ca -0.11 -1.83 -0.35 0.00 -0.53 0.00 0.00 54.79 51.96 1avg n ASP 73 Cb 0.67 -0.12 0.02 0.00 -0.64 0.00 0.00 41.12 41.04 1avg n ASP 73 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1avg s ASN 74 N -1.67 5.47 -1.13 -2.24 -0.87 -1.26 -3.90 114.94 109.35 1avg s ASN 74 Ca 0.34 2.26 -0.05 0.00 -1.57 0.00 0.00 52.86 53.85 1avg s ASN 74 Cb 0.20 -2.59 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 1avg s ASN 74 CO 0.30 -1.39 0.92 0.29 -2.57 0.00 0.00 177.10 174.64 1avg n LYS 75 N -1.46 -3.87 0.05 -0.60 4.76 -1.26 -4.29 118.16 111.50 1avg n LYS 75 Ca 0.12 0.81 0.19 0.00 -2.87 0.00 0.00 58.31 56.57 1avg n LYS 75 Cb 0.50 -5.67 0.71 0.00 -1.84 0.00 0.00 35.03 28.73 1avg n LYS 75 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1avg h ASN 76 N -1.48 0.00 -1.70 4.39 7.08 -1.82 -3.30 115.58 118.75 1avg h ASN 76 Ca -0.61 0.00 -0.46 0.00 -3.08 0.00 0.00 56.30 52.16 1avg h ASN 76 Cb 1.33 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.53 1avg h ASN 76 CO 0.47 0.00 1.21 -0.83 -2.08 0.00 0.00 177.43 176.20 1avg s GLY 77 N -4.00 0.23 -1.77 9.14 0.00 -1.26 -4.17 107.32 105.48 1avg s GLY 77 Ca -0.05 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 1avg s GLY 77 CO 0.68 3.40 0.42 -1.84 0.00 0.00 0.00 173.10 175.77 1avg n GLU 78 N 9.12 -0.90 -3.81 2.90 0.28 -1.26 -4.93 120.64 122.04 1avg n GLU 78 Ca 0.24 0.14 -0.12 0.00 -0.16 0.00 0.00 57.16 57.26 1avg n GLU 78 Cb 0.51 -4.39 -0.12 0.00 1.43 0.00 0.00 31.44 28.87 1avg n GLU 78 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1avg s GLN 79 N -7.27 0.21 -0.33 3.44 0.74 -1.24 -4.72 119.66 110.49 1avg s GLN 79 Ca 0.57 0.24 -0.07 0.00 0.05 0.00 0.00 55.36 56.15 1avg s GLN 79 Cb -0.33 0.10 0.02 0.00 1.10 0.00 0.00 33.01 33.90 1avg s GLN 79 CO 1.02 -0.03 0.11 0.71 -0.55 0.00 0.00 175.29 176.55 1avg s TYR 80 N 0.08 3.21 -0.09 1.67 1.51 -1.04 -4.63 117.35 118.06 1avg s TYR 80 Ca -0.00 -1.15 -0.04 0.00 -1.01 0.00 0.00 57.07 54.87 1avg s TYR 80 Cb -0.01 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 1avg s TYR 80 CO 0.00 -0.65 0.08 -1.12 -1.11 0.00 0.00 175.55 172.75 1avg s SER 81 N 1.47 5.86 0.01 2.29 0.01 -1.26 -0.78 113.70 121.30 1avg s SER 81 Ca 0.01 0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.59 1avg s SER 81 Cb -0.18 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 1avg s SER 81 CO 0.03 0.37 -0.08 -0.36 0.41 0.00 0.00 173.24 173.62 1avg s PHE 82 N -1.01 0.70 -0.20 2.43 0.40 0.87 -1.69 117.98 119.47 1avg s PHE 82 Ca 0.16 -0.20 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 1avg s PHE 82 Cb -0.12 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.94 1avg s PHE 82 CO 0.05 -0.02 0.05 0.15 0.70 0.00 0.00 175.22 176.16 1avg s LYS 83 N -0.48 3.82 -0.06 0.44 1.02 -0.77 -0.61 119.74 123.09 1avg s LYS 83 Ca 0.01 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.61 1avg s LYS 83 Cb -0.04 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1avg s LYS 83 CO -0.00 0.09 -0.13 0.00 -0.92 0.00 0.00 175.35 174.39 1avg s LYS 85 N -0.58 1.20 0.38 0.00 1.02 -0.56 -2.24 119.74 118.96 1avg s LYS 85 Ca 0.08 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.20 1avg s LYS 85 Cb -0.11 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.84 1avg s LYS 85 CO 0.01 0.32 0.06 -1.54 -0.92 0.00 0.00 175.35 173.28 1avg s SER 86 N -1.28 2.94 0.52 2.83 1.04 -1.26 -0.27 113.70 118.21 1avg s SER 86 Ca 0.05 -1.47 0.21 0.00 0.48 0.00 0.00 55.95 55.23 1avg s SER 86 Cb -0.09 0.05 1.33 0.00 0.10 0.00 0.00 66.02 67.41 1avg s SER 86 CO 0.02 -0.67 2.05 0.28 0.98 0.00 0.00 173.24 175.89 1avg h SER 87 N 1.90 0.02 -0.25 7.02 0.02 -1.81 0.67 113.55 121.12 1avg h SER 87 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1avg h SER 87 Cb 1.26 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1avg h SER 87 CO 0.70 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.50 1avg n ASP 88 N -4.44 2.95 -3.31 3.07 5.75 -1.26 -4.97 116.55 114.34 1avg n ASP 88 Ca 0.06 -1.92 -0.16 0.00 -0.01 0.00 0.00 54.79 52.75 1avg n ASP 88 Cb 0.42 -0.16 0.08 0.00 -1.03 0.00 0.00 41.12 40.44 1avg n ASP 88 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1avg n ASN 89 N 1.20 -2.82 0.02 -1.12 3.02 0.23 -4.99 115.26 110.80 1avg n ASN 89 Ca 0.18 -0.61 -0.02 0.00 -0.03 0.00 0.00 54.58 54.10 1avg n ASN 89 Cb 0.55 -4.96 -0.01 0.00 -0.61 0.00 0.00 39.78 34.74 1avg n ASN 89 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1avg h THR 90 N -1.69 0.00 -2.00 3.41 2.02 -1.92 -3.45 112.91 109.29 1avg h THR 90 Ca -0.57 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1avg h THR 90 Cb 1.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1avg h THR 90 CO 0.47 0.00 -0.47 -0.62 0.37 0.00 0.00 175.52 175.27 1avg n GLU 91 N -3.77 -2.52 -3.56 6.66 1.02 -1.23 -4.77 120.64 112.46 1avg n GLU 91 Ca -0.01 1.83 -0.06 0.00 -0.02 0.00 0.00 57.16 58.90 1avg n GLU 91 Cb 0.05 -2.03 -0.02 0.00 -0.02 0.00 0.00 31.44 29.42 1avg n GLU 91 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1avg s PHE 92 N -1.85 -0.23 -0.00 -0.32 -0.12 -0.95 -3.42 117.98 111.09 1avg s PHE 92 Ca 0.00 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 1avg s PHE 92 Cb 0.00 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1avg s PHE 92 CO 0.00 -0.41 0.04 -2.00 -0.05 0.00 0.00 175.22 172.80 1avg s GLU 93 N -2.82 2.92 -0.09 1.99 2.12 -0.41 -1.35 118.70 121.07 1avg s GLU 93 Ca 0.08 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.86 1avg s GLU 93 Cb -0.01 -2.76 0.02 0.00 0.26 0.00 0.00 34.13 31.64 1avg s GLU 93 CO -0.06 0.63 -0.09 0.00 -0.54 0.00 0.00 175.26 175.20 1avg s ALA 94 N -1.15 1.24 -0.11 6.30 0.00 0.22 -0.29 121.76 127.97 1avg s ALA 94 Ca 0.21 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1avg s ALA 94 Cb -0.12 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1avg s ALA 94 CO 0.12 -0.21 -0.12 -0.51 0.00 0.00 0.00 175.76 175.04 1avg s ASP 95 N 1.30 4.11 -0.16 0.00 1.01 -0.22 -0.09 116.67 122.62 1avg s ASP 95 Ca -0.03 -0.26 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 1avg s ASP 95 Cb -0.14 -1.39 -0.01 0.00 1.01 0.00 0.00 42.92 42.39 1avg s ASP 95 CO -0.04 0.23 -0.11 -0.36 0.21 0.00 0.00 175.17 175.11 1avg s PHE 96 N -0.01 2.86 -0.35 4.23 0.08 0.04 -1.69 117.98 123.15 1avg s PHE 96 Ca -0.03 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.25 1avg s PHE 96 Cb -0.14 -1.92 0.08 0.00 -0.57 0.00 0.00 43.02 40.47 1avg s PHE 96 CO 0.04 -0.33 0.08 0.99 -0.10 0.00 0.00 175.22 175.90 1avg s THR 97 N 0.71 2.95 -0.17 0.64 2.01 -0.18 -2.50 115.64 119.09 1avg s THR 97 Ca -0.05 -1.83 -0.29 0.00 0.31 0.00 0.00 61.69 59.83 1avg s THR 97 Cb -0.15 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1avg s THR 97 CO 0.02 -0.42 1.21 -0.36 -0.69 0.00 0.00 174.62 174.38 1avg s PHE 98 N 1.14 2.97 -0.17 4.92 0.40 -1.26 -0.98 117.98 125.01 1avg s PHE 98 Ca 0.03 1.12 -0.15 0.00 -0.60 0.00 0.00 56.93 57.33 1avg s PHE 98 Cb -0.21 -3.45 -0.11 0.00 0.51 0.00 0.00 43.02 39.77 1avg s PHE 98 CO -0.04 -1.40 0.04 0.82 0.70 0.00 0.00 175.22 175.34 1avg h ILE 99 N 5.46 0.47 -2.80 0.64 1.08 -1.73 -0.73 117.51 119.90 1avg h ILE 99 Ca -0.25 -1.58 -0.13 0.00 -0.39 0.00 0.00 64.86 62.51 1avg h ILE 99 Cb 1.10 1.11 -0.26 0.00 -3.07 0.00 0.00 36.82 35.70 1avg h ILE 99 CO 0.97 0.16 -0.32 -0.55 -0.69 0.00 0.00 178.15 177.72 1avg s SER 100 N -6.24 -0.41 -0.21 1.72 0.15 -1.15 -4.18 113.70 103.38 1avg s SER 100 Ca -0.20 0.76 -0.19 0.00 0.70 0.00 0.00 55.95 57.02 1avg s SER 100 Cb 0.03 0.71 0.05 0.00 -1.71 0.00 0.00 66.02 65.11 1avg s SER 100 CO 0.39 -0.15 0.55 0.54 1.20 0.00 0.00 173.24 175.77 1avg s VAL 101 N 0.74 -0.00 -0.32 4.45 0.11 -1.26 0.29 120.40 124.41 1avg s VAL 101 Ca -0.04 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1avg s VAL 101 Cb -0.06 -0.77 0.09 0.00 -1.53 0.00 0.00 36.38 34.12 1avg s VAL 101 CO -0.05 0.00 0.02 -0.94 -3.33 0.00 0.00 175.10 170.80 1avg s SER 102 N 0.36 4.63 0.00 3.54 1.04 -0.13 -4.99 113.70 118.15 1avg s SER 102 Ca -0.01 -1.95 0.00 0.00 0.48 0.00 0.00 55.95 54.48 1avg s SER 102 Cb -0.04 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1avg s SER 102 CO -0.00 -0.34 0.63 -1.22 0.98 0.00 0.00 173.24 173.29 1avg n TYR 103 N 4.34 0.00 -0.05 5.02 4.01 -1.26 -0.50 117.16 128.71 1avg n TYR 103 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1avg n TYR 103 Cb 0.42 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1avg n TYR 103 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1avg n ASP 104 N -1.13 1.42 0.00 7.72 5.75 -1.26 -4.91 116.55 124.14 1avg n ASP 104 Ca 0.00 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1avg n ASP 104 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1avg n ASP 104 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1avg n ASN 105 N -0.24 0.00 -4.02 -1.12 5.15 0.34 -4.85 115.26 110.53 1avg n ASN 105 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1avg n ASN 105 Cb 0.14 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.32 1avg n ASN 105 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1avg s PHE 106 N -0.02 0.51 -0.13 1.20 -0.12 -1.12 -0.61 117.98 117.69 1avg s PHE 106 Ca 0.00 -0.84 -0.06 0.00 -0.05 0.00 0.00 56.93 55.98 1avg s PHE 106 Cb 0.00 -0.01 0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1avg s PHE 106 CO 0.00 -0.85 0.30 0.00 -0.05 0.00 0.00 175.22 174.62 1avg s ALA 107 N -4.03 -0.72 -0.07 1.99 0.00 -0.27 -0.95 121.76 117.71 1avg s ALA 107 Ca 0.24 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 53.18 1avg s ALA 107 Cb 0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1avg s ALA 107 CO 0.07 -0.28 0.50 -1.17 0.00 0.00 0.00 175.76 174.87 1avg s LEU 108 N 1.47 4.34 -0.06 0.00 0.20 0.15 -0.46 118.68 124.32 1avg s LEU 108 Ca -0.08 0.93 -0.08 0.00 0.69 0.00 0.00 54.13 55.59 1avg s LEU 108 Cb -0.10 -2.74 0.02 0.00 -0.43 0.00 0.00 46.19 42.94 1avg s LEU 108 CO -0.10 0.08 0.20 -0.69 -0.29 0.00 0.00 176.35 175.55 1avg s VAL 109 N 0.15 0.02 -0.25 1.68 1.01 0.53 -2.29 120.40 121.25 1avg s VAL 109 Ca 0.27 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1avg s VAL 109 Cb -0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1avg s VAL 109 CO 0.13 -0.09 0.20 0.00 0.00 0.00 0.00 175.10 175.34 1avg s ARG 111 N 1.39 2.83 -0.25 0.00 3.52 -0.46 -1.01 118.95 124.96 1avg s ARG 111 Ca 0.09 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1avg s ARG 111 Cb -0.15 -2.40 0.03 0.00 -1.56 0.00 0.00 34.95 30.88 1avg s ARG 111 CO 0.07 0.40 -0.07 -1.12 -0.81 0.00 0.00 175.30 173.78 1avg s SER 112 N -0.18 4.31 -0.11 -2.12 0.01 -0.68 -1.69 113.70 113.24 1avg s SER 112 Ca -0.01 -0.95 -0.04 0.00 1.31 0.00 0.00 55.95 56.26 1avg s SER 112 Cb -0.13 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 1avg s SER 112 CO 0.03 -0.14 0.03 -0.63 0.41 0.00 0.00 173.24 172.94 1avg s ILE 113 N 1.29 4.52 -0.39 1.44 1.09 -0.19 -1.05 121.20 127.91 1avg s ILE 113 Ca -0.01 -0.16 0.01 0.00 -1.10 0.00 0.00 60.65 59.39 1avg s ILE 113 Cb -0.17 -2.94 0.13 0.00 -1.06 0.00 0.00 42.46 38.41 1avg s ILE 113 CO -0.05 0.57 0.20 -0.89 -0.10 0.00 0.00 174.94 174.67 1avg s THR 114 N -0.55 1.03 0.47 2.92 2.01 0.60 -2.41 115.64 119.70 1avg s THR 114 Ca 0.10 -2.13 -0.22 0.00 0.31 0.00 0.00 61.69 59.75 1avg s THR 114 Cb -0.12 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 70.57 1avg s THR 114 CO 0.02 -0.87 1.09 -0.36 -0.69 0.00 0.00 174.62 173.82 1avg s PHE 115 N 0.78 2.98 0.55 4.92 0.40 -1.25 -1.28 117.98 125.08 1avg s PHE 115 Ca 0.16 1.58 0.28 0.00 -0.60 0.00 0.00 56.93 58.35 1avg s PHE 115 Cb -0.23 -3.20 1.46 0.00 0.51 0.00 0.00 43.02 41.56 1avg s PHE 115 CO -0.05 -1.07 1.94 1.79 0.70 0.00 0.00 175.22 178.53 1avg h THR 116 N 1.75 0.57 0.00 0.64 1.35 -1.86 -3.30 112.91 112.06 1avg h THR 116 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1avg h THR 116 Cb 1.23 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1avg h THR 116 CO 0.60 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.67 1avg n SER 117 N -4.15 0.00 -4.47 5.36 7.64 -1.26 -4.77 113.62 111.96 1avg n SER 117 Ca 0.12 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1avg n SER 117 Cb 0.72 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.85 1avg n SER 117 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1avg s GLN 118 N 0.00 3.15 0.73 1.43 -0.21 -1.25 -5.06 119.66 118.45 1avg s GLN 118 Ca 0.00 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.54 1avg s GLN 118 Cb 0.00 -4.02 0.03 0.00 1.00 0.00 0.00 33.01 30.02 1avg s GLN 118 CO 0.00 -1.04 1.10 -1.25 -2.12 0.00 0.00 175.29 171.97 1avg s PRO 119 N 2.49 2.66 0.06 2.91 0.04 -1.24 -3.82 135.00 138.10 1avg s PRO 119 Ca 0.16 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1avg s PRO 119 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1avg s PRO 119 CO 0.14 -1.19 0.00 1.17 0.04 0.00 0.00 177.00 177.16 1avg n LYS 120 N -3.12 -3.26 -3.26 4.56 3.00 -1.25 -4.95 118.16 109.88 1avg n LYS 120 Ca 0.07 2.54 0.03 0.00 -0.00 0.00 0.00 58.31 60.95 1avg n LYS 120 Cb 0.57 -2.86 -0.02 0.00 0.00 0.00 0.00 35.03 32.72 1avg n LYS 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1avg s GLU 121 N -1.34 0.45 -0.07 1.64 2.12 -1.01 -4.97 118.70 115.51 1avg s GLU 121 Ca 0.00 0.88 0.02 0.00 0.36 0.00 0.00 54.97 56.24 1avg s GLU 121 Cb 0.00 0.51 -0.02 0.00 0.26 0.00 0.00 34.13 34.87 1avg s GLU 121 CO 0.00 -0.39 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.69 1avg s ASP 122 N 2.84 4.09 -0.26 -1.70 1.11 -1.26 -1.02 116.67 120.47 1avg s ASP 122 Ca 0.09 -0.21 -0.20 0.00 0.18 0.00 0.00 52.55 52.40 1avg s ASP 122 Cb -0.12 -1.06 0.07 0.00 1.07 0.00 0.00 42.92 42.88 1avg s ASP 122 CO -0.18 0.30 0.67 -0.60 1.18 0.00 0.00 175.17 176.54 1avg s ARG 123 N -0.48 0.74 -0.26 8.23 3.52 -0.68 -0.55 118.95 129.47 1avg s ARG 123 Ca 0.06 1.03 -0.28 0.00 -0.13 0.00 0.00 55.73 56.41 1avg s ARG 123 Cb -0.12 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.56 1avg s ARG 123 CO 0.02 -0.12 0.98 0.71 -0.81 0.00 0.00 175.30 176.09 1avg s TYR 124 N 0.84 3.27 0.29 5.12 2.02 -1.26 -1.36 117.35 126.28 1avg s TYR 124 Ca -0.04 1.27 0.11 0.00 -0.37 0.00 0.00 57.07 58.05 1avg s TYR 124 Cb -0.05 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 38.12 1avg s TYR 124 CO -0.07 -0.55 -0.18 -0.51 -1.57 0.00 0.00 175.55 172.68 1avg s LEU 125 N 3.23 2.63 -0.22 -1.29 1.43 1.00 -4.95 118.68 120.51 1avg s LEU 125 Ca 0.41 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1avg s LEU 125 Cb -0.14 -1.10 0.05 0.00 0.03 0.00 0.00 46.19 45.03 1avg s LEU 125 CO 0.09 -0.00 -0.10 -0.69 0.23 0.00 0.00 176.35 175.88 1avg s VAL 126 N -2.52 1.77 -0.17 -1.59 1.01 -1.26 -0.35 120.40 117.30 1avg s VAL 126 Ca 0.30 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 1avg s VAL 126 Cb -0.04 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1avg s VAL 126 CO 0.15 0.08 0.65 -0.36 0.00 0.00 0.00 175.10 175.63 1avg s PHE 127 N 1.32 3.43 -0.04 5.22 0.40 0.40 -4.54 117.98 124.16 1avg s PHE 127 Ca -0.04 1.02 -0.04 0.00 -0.60 0.00 0.00 56.93 57.27 1avg s PHE 127 Cb -0.18 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.51 1avg s PHE 127 CO -0.07 -0.11 0.18 -1.21 0.70 0.00 0.00 175.22 174.70 1avg s GLU 128 N 1.65 3.45 0.11 0.44 2.02 0.80 -1.11 118.70 126.06 1avg s GLU 128 Ca 0.31 -0.25 0.18 0.00 0.02 0.00 0.00 54.97 55.24 1avg s GLU 128 Cb -0.16 -3.12 -0.09 0.00 0.10 0.00 0.00 34.13 30.86 1avg s GLU 128 CO 0.12 0.70 0.91 -0.09 0.02 0.00 0.00 175.26 176.92 1avg h ARG 129 N 4.15 0.00 -5.51 1.61 9.65 -1.14 0.17 114.38 123.31 1avg h ARG 129 Ca -0.51 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 57.73 1avg h ARG 129 Cb 1.20 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.63 1avg h ARG 129 CO 0.66 0.21 -0.57 0.99 2.80 0.00 0.00 179.97 184.05 1avg s THR 130 N -3.05 4.72 0.06 0.20 2.01 -1.26 -4.81 115.64 113.51 1avg s THR 130 Ca -0.02 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 1avg s THR 130 Cb 0.09 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 1avg s THR 130 CO 0.80 0.52 1.24 -0.75 -0.69 0.00 0.00 174.62 175.75 1avg s LYS 131 N -0.16 4.40 -0.15 4.92 2.20 -1.26 -4.86 119.74 124.82 1avg s LYS 131 Ca 0.07 1.83 -0.06 0.00 -0.36 0.00 0.00 55.97 57.45 1avg s LYS 131 Cb -0.12 -3.36 -0.22 0.00 -1.51 0.00 0.00 37.83 32.62 1avg s LYS 131 CO 0.01 -0.32 3.49 0.45 -0.36 0.00 0.00 175.35 178.62 1avg n SER 132 N 4.12 5.59 0.00 1.43 2.88 -1.26 -4.89 113.62 121.50 1avg n SER 132 Ca 0.10 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 1avg n SER 132 Cb 0.45 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1avg n SER 132 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1avg n ASP 133 N 2.38 0.00 0.22 -3.46 8.00 -1.26 -3.52 116.55 118.91 1avg n ASP 133 Ca 0.46 0.00 0.18 0.00 0.71 0.00 0.00 54.79 56.14 1avg n ASP 133 Cb 0.84 0.00 0.80 0.00 -0.02 0.00 0.00 41.12 42.74 1avg n ASP 133 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1avg h THR 134 N 0.00 0.22 -3.96 -3.53 2.02 -2.00 -3.42 112.91 102.23 1avg h THR 134 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.65 1avg h THR 134 Cb 0.00 0.69 0.09 0.00 -1.74 0.00 0.00 68.15 67.18 1avg h THR 134 CO 0.00 0.00 0.60 -1.81 0.37 0.00 0.00 175.52 174.68 1avg s ASP 135 N -4.98 6.20 0.52 4.18 1.01 -1.23 -4.97 116.67 117.40 1avg s ASP 135 Ca -0.04 2.62 -0.21 0.00 0.71 0.00 0.00 52.55 55.64 1avg s ASP 135 Cb 0.12 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1avg s ASP 135 CO 0.43 -0.93 1.17 -2.84 0.21 0.00 0.00 175.17 173.21 1avg s PRO 136 N -2.36 3.43 0.22 8.23 0.02 -1.26 -4.93 135.00 138.35 1avg s PRO 136 Ca 0.59 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 63.05 1avg s PRO 136 Cb -0.37 -2.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.92 1avg s PRO 136 CO 0.47 -0.82 1.25 0.34 -0.33 0.00 0.00 177.00 177.91 1avg s ASP 137 N -1.56 6.98 0.39 2.53 2.15 -1.26 -4.88 116.67 121.02 1avg s ASP 137 Ca 0.70 2.37 0.13 0.00 0.43 0.00 0.00 52.55 56.18 1avg s ASP 137 Cb -0.27 -2.62 0.96 0.00 -0.30 0.00 0.00 42.92 40.69 1avg s ASP 137 CO 0.32 -0.44 1.87 0.00 -0.17 0.00 0.00 175.17 176.75 1avg h ALA 138 N 4.90 2.01 -0.01 3.66 0.00 -1.99 0.55 119.26 128.39 1avg h ALA 138 Ca -0.45 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1avg h ALA 138 Cb 1.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1avg h ALA 138 CO 0.74 -0.27 -0.15 -0.22 0.00 0.00 0.00 179.25 179.35 1avg h LYS 139 N 0.54 0.01 0.03 0.00 3.64 -1.97 0.44 116.57 119.26 1avg h LYS 139 Ca 0.44 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1avg h LYS 139 Cb 0.90 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1avg h LYS 139 CO -0.18 0.16 -0.23 0.93 -2.27 0.00 0.00 179.45 177.86 1avg h GLU 140 N 0.01 0.10 0.06 1.90 5.08 -1.28 -3.37 114.58 117.07 1avg h GLU 140 Ca 0.00 -0.15 -0.24 0.00 -1.00 0.00 0.00 59.36 57.98 1avg h GLU 140 Cb 0.27 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1avg h GLU 140 CO 0.02 1.03 -1.08 0.97 -1.00 0.00 0.00 179.01 178.96 1avg h ILE 141 N -0.77 1.53 -0.01 3.13 2.10 -1.24 -3.50 117.51 118.76 1avg h ILE 141 Ca -0.04 -2.96 0.00 0.00 1.08 0.00 0.00 64.86 62.94 1avg h ILE 141 Cb 1.14 2.76 0.00 0.00 -1.09 0.00 0.00 36.82 39.62 1avg h ILE 141 CO 0.04 0.86 0.00 0.00 -1.08 0.00 0.00 178.15 177.97