#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eea s SER 2 N 0.00 5.20 -0.06 1.61 0.01 -1.26 -5.13 113.70 114.07 2eea s SER 2 Ca 0.00 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 2eea s SER 2 Cb 0.00 -1.17 0.10 0.00 0.21 0.00 0.00 66.02 65.16 2eea s SER 2 CO 0.00 -0.09 0.87 -0.94 0.41 0.00 0.00 173.24 173.50 2eea s SER 3 N -3.82 -0.43 0.00 2.44 1.04 -1.26 -5.16 113.70 106.51 2eea s SER 3 Ca 0.34 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2eea s SER 3 Cb -0.07 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2eea s SER 3 CO 0.24 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2eea n GLY 4 N 0.34 0.71 3.45 7.32 0.00 -1.26 -5.16 105.19 110.60 2eea n GLY 4 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2eea n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eea s SER 5 N -0.09 -0.01 -0.15 1.61 0.01 -1.26 -5.16 113.70 108.65 2eea s SER 5 Ca 0.00 -1.06 -0.04 0.00 1.31 0.00 0.00 55.95 56.15 2eea s SER 5 Cb 0.00 0.51 0.06 0.00 0.21 0.00 0.00 66.02 66.80 2eea s SER 5 CO 0.00 -1.03 0.10 -0.94 0.41 0.00 0.00 173.24 171.78 2eea s SER 6 N -3.06 2.01 0.00 2.44 1.04 -1.26 -5.09 113.70 109.78 2eea s SER 6 Ca 0.27 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2eea s SER 6 Cb 0.02 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2eea s SER 6 CO 0.09 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2eea n GLY 7 N 5.29 3.04 3.77 7.32 0.00 -1.26 -5.16 105.19 118.19 2eea n GLY 7 Ca -0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2eea n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eea s PRO 8 N -1.23 2.36 -0.29 1.61 0.04 -1.26 -5.04 135.00 131.19 2eea s PRO 8 Ca 0.00 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.28 2eea s PRO 8 Cb 0.00 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.71 2eea s PRO 8 CO 0.00 -1.57 -0.05 -2.00 0.04 0.00 0.00 177.00 173.43 2eea s GLU 9 N -4.76 1.89 -0.65 4.56 2.12 -1.26 -5.04 118.70 115.56 2eea s GLU 9 Ca 0.62 -1.50 0.05 0.00 0.36 0.00 0.00 54.97 54.50 2eea s GLU 9 Cb -0.18 -2.96 0.17 0.00 0.26 0.00 0.00 34.13 31.43 2eea s GLU 9 CO 0.53 -0.71 0.48 -1.13 -0.54 0.00 0.00 175.26 173.90 2eea n SER 10 N 4.39 2.45 -4.23 -1.70 3.41 -1.26 -5.10 113.62 111.58 2eea n SER 10 Ca -0.07 -3.08 -0.29 0.00 -0.26 0.00 0.00 58.87 55.16 2eea n SER 10 Cb 0.42 -0.72 0.21 0.00 -0.26 0.00 0.00 64.21 63.86 2eea n SER 10 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2eea s PRO 11 N -1.27 -0.48 -0.00 4.33 0.04 -1.26 -5.07 135.00 131.29 2eea s PRO 11 Ca 0.27 0.20 0.08 0.00 0.04 0.00 0.00 61.00 61.59 2eea s PRO 11 Cb -0.02 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2eea s PRO 11 CO -0.17 -3.27 -0.24 -0.51 0.04 0.00 0.00 177.00 172.85 2eea s LEU 12 N -6.72 2.20 -0.53 -3.56 1.43 -1.26 -5.09 118.68 105.15 2eea s LEU 12 Ca 0.68 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 2eea s LEU 12 Cb -0.14 -1.36 0.17 0.00 0.03 0.00 0.00 46.19 44.89 2eea s LEU 12 CO 0.57 0.30 0.40 -1.10 0.23 0.00 0.00 176.35 176.75 2eea s GLN 13 N -0.86 1.54 0.25 1.70 -0.21 -1.26 -5.11 119.66 115.71 2eea s GLN 13 Ca 0.11 -2.61 -0.31 0.00 0.02 0.00 0.00 55.36 52.57 2eea s GLN 13 Cb -0.10 -2.24 -0.12 0.00 1.00 0.00 0.00 33.01 31.55 2eea s GLN 13 CO 0.00 -1.35 1.55 1.97 -2.12 0.00 0.00 175.29 175.35 2eea n PHE 14 N 2.50 2.57 -0.88 0.91 1.16 -1.26 -4.95 117.46 117.50 2eea n PHE 14 Ca 0.26 0.29 -0.30 0.00 -1.87 0.00 0.00 57.45 55.82 2eea n PHE 14 Cb 0.42 -2.56 0.16 0.00 -1.61 0.00 0.00 39.48 35.89 2eea n PHE 14 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 2eea s TYR 15 N 0.20 1.91 -0.23 2.97 -0.85 -1.26 -4.93 117.35 115.15 2eea s TYR 15 Ca 0.68 1.58 -0.29 0.00 -0.52 0.00 0.00 57.07 58.52 2eea s TYR 15 Cb -0.56 -3.21 -0.01 0.00 0.38 0.00 0.00 41.96 38.56 2eea s TYR 15 CO 0.46 -2.65 1.29 0.08 -1.52 0.00 0.00 175.55 173.20 2eea s VAL 16 N -2.73 4.20 0.67 -3.49 1.01 -1.26 -5.02 120.40 113.78 2eea s VAL 16 Ca 0.65 1.41 -0.06 0.00 0.00 0.00 0.00 61.98 63.98 2eea s VAL 16 Cb -0.21 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.14 2eea s VAL 16 CO 0.58 -0.31 0.97 0.20 0.00 0.00 0.00 175.10 176.55 2eea s ASN 17 N 2.43 5.05 0.00 3.32 0.01 -1.26 -5.11 114.94 119.38 2eea s ASN 17 Ca 0.56 0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 53.19 2eea s ASN 17 Cb -0.19 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.21 2eea s ASN 17 CO 0.19 -1.43 0.03 -0.31 -1.51 0.00 0.00 177.10 174.07 2eea s TYR 18 N -3.15 0.10 0.65 2.20 2.02 -1.26 -5.16 117.35 112.76 2eea s TYR 18 Ca 0.58 -0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 56.92 2eea s TYR 18 Cb -0.11 -0.09 -0.00 0.00 -0.40 0.00 0.00 41.96 41.36 2eea s TYR 18 CO 0.44 -0.14 1.11 -1.25 -1.57 0.00 0.00 175.55 174.14 2eea s PRO 19 N -0.87 2.84 -0.24 -1.71 0.04 -1.26 -5.06 135.00 128.73 2eea s PRO 19 Ca -0.10 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 2eea s PRO 19 Cb -0.06 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.65 2eea s PRO 19 CO -0.00 -1.22 0.43 -0.80 0.04 0.00 0.00 177.00 175.45 2eea s ASN 20 N -2.54 -0.21 0.17 6.66 -0.87 -1.26 -5.05 114.94 111.83 2eea s ASN 20 Ca 0.67 0.67 -0.27 0.00 -1.57 0.00 0.00 52.86 52.36 2eea s ASN 20 Cb -0.21 1.39 -0.01 0.00 -0.02 0.00 0.00 41.25 42.41 2eea s ASN 20 CO 0.41 -0.26 1.47 -1.20 -2.57 0.00 0.00 177.10 174.94 2eea n SER 21 N 5.39 -0.93 -0.61 -1.22 7.64 -1.26 -4.91 113.62 117.72 2eea n SER 21 Ca -0.06 1.69 0.00 0.00 1.01 0.00 0.00 58.87 61.52 2eea n SER 21 Cb 0.50 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2eea n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eea n GLY 22 N -1.28 -0.08 3.65 0.23 0.00 -1.26 -5.14 105.19 101.30 2eea n GLY 22 Ca 0.04 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 2eea n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eea s SER 23 N -0.34 -0.23 0.08 1.61 0.15 -1.26 -5.05 113.70 108.66 2eea s SER 23 Ca 0.00 -0.62 0.10 0.00 0.70 0.00 0.00 55.95 56.13 2eea s SER 23 Cb 0.00 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2eea s SER 23 CO 0.00 -1.17 -0.26 -0.69 1.20 0.00 0.00 173.24 172.32 2eea s VAL 24 N -3.92 2.22 0.22 4.45 1.01 -1.26 -4.64 120.40 118.48 2eea s VAL 24 Ca 0.13 -1.53 0.05 0.00 0.00 0.00 0.00 61.98 60.62 2eea s VAL 24 Cb -0.03 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2eea s VAL 24 CO 0.03 0.25 -0.05 -0.55 0.00 0.00 0.00 175.10 174.78 2eea s SER 25 N -1.59 2.11 -0.04 3.32 0.15 -1.26 -4.45 113.70 111.94 2eea s SER 25 Ca 0.13 -1.14 -0.01 0.00 0.70 0.00 0.00 55.95 55.62 2eea s SER 25 Cb -0.10 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 2eea s SER 25 CO 0.04 -0.40 0.08 0.00 1.20 0.00 0.00 173.24 174.16 2eea s ALA 26 N -3.26 -0.09 -0.08 5.45 0.00 -1.26 -3.42 121.76 119.11 2eea s ALA 26 Ca 0.25 0.44 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 2eea s ALA 26 Cb 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2eea s ALA 26 CO 0.07 -0.12 0.34 1.52 0.00 0.00 0.00 175.76 177.57 2eea s TYR 27 N 1.00 -0.29 0.00 0.00 1.13 -1.10 -5.07 117.35 113.01 2eea s TYR 27 Ca -0.08 0.63 0.00 0.00 -1.41 0.00 0.00 57.07 56.21 2eea s TYR 27 Cb -0.11 0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 2eea s TYR 27 CO -0.04 -0.29 0.00 0.41 -2.51 0.00 0.00 175.55 173.12 2eea n GLY 28 N 2.09 1.92 0.00 5.49 0.00 -1.26 -2.18 105.19 111.25 2eea n GLY 28 Ca -0.17 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.20 2eea n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 29 N -0.49 0.16 0.02 1.61 -0.04 -1.26 -2.20 135.00 132.80 2eea n PRO 29 Ca 0.00 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 2eea n PRO 29 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 2eea n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eea n GLY 30 N -0.03 -1.20 0.13 0.55 0.00 -1.05 -3.72 105.19 99.88 2eea n GLY 30 Ca 0.06 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2eea n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eea n LEU 31 N -1.83 2.57 0.05 0.99 4.77 -0.93 -4.50 117.00 118.12 2eea n LEU 31 Ca 0.03 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 2eea n LEU 31 Cb 0.40 -0.96 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 2eea n LEU 31 CO 0.39 0.78 0.79 0.58 -1.33 0.00 0.00 177.39 178.60 2eea h VAL 32 N -0.27 1.05 -2.26 4.08 2.07 -1.73 -3.11 116.25 116.07 2eea h VAL 32 Ca -0.53 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 66.87 2eea h VAL 32 Cb 1.82 1.25 -0.10 0.00 -1.52 0.00 0.00 31.29 32.74 2eea h VAL 32 CO -0.11 0.08 0.51 -0.72 0.02 0.00 0.00 177.57 177.34 2eea s TYR 33 N -5.66 -0.16 0.00 1.57 -0.85 -1.24 -1.92 117.35 109.09 2eea s TYR 33 Ca -0.14 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 2eea s TYR 33 Cb 0.05 0.62 0.00 0.00 0.38 0.00 0.00 41.96 43.00 2eea s TYR 33 CO 0.66 -0.74 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 2eea n GLY 34 N -0.43 2.78 2.95 5.49 0.00 -1.23 -4.18 105.19 110.57 2eea n GLY 34 Ca -0.07 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 2eea n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eea s VAL 35 N -2.74 0.42 0.25 1.61 1.01 -1.26 -2.26 120.40 117.44 2eea s VAL 35 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 2eea s VAL 35 Cb 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 36.38 35.89 2eea s VAL 35 CO 0.00 0.13 1.65 0.00 0.00 0.00 0.00 175.10 176.88 2eea n ALA 36 N 3.06 2.65 -2.52 5.51 0.00 0.12 -1.69 120.51 127.64 2eea n ALA 36 Ca -0.14 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 2eea n ALA 36 Cb 0.57 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2eea n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2eea n ASN 37 N 3.01 -5.18 -3.93 0.00 3.02 -1.19 -4.45 115.26 106.53 2eea n ASN 37 Ca 0.12 -0.09 -0.15 0.00 -0.03 0.00 0.00 54.58 54.43 2eea n ASN 37 Cb 0.36 -4.19 -0.15 0.00 -0.61 0.00 0.00 39.78 35.19 2eea n ASN 37 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2eea s LYS 38 N -5.08 0.37 0.72 3.52 -0.14 -0.68 -5.03 119.74 113.42 2eea s LYS 38 Ca 0.08 -0.14 -0.16 0.00 -1.36 0.00 0.00 55.97 54.39 2eea s LYS 38 Cb -0.04 -0.37 -0.01 0.00 -1.68 0.00 0.00 37.83 35.73 2eea s LYS 38 CO 0.10 0.07 0.76 0.25 -0.76 0.00 0.00 175.35 175.78 2eea n THR 39 N 3.08 2.28 -3.21 2.17 -2.24 -1.26 -4.25 114.28 110.85 2eea n THR 39 Ca -0.14 -0.38 0.04 0.00 -2.27 0.00 0.00 64.05 61.30 2eea n THR 39 Cb 0.58 -0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 2eea n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2eea s ALA 40 N -1.87 -2.93 0.24 6.98 0.00 -1.04 -4.77 121.76 118.38 2eea s ALA 40 Ca 0.69 1.69 0.03 0.00 0.00 0.00 0.00 51.96 54.38 2eea s ALA 40 Cb -0.35 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 2eea s ALA 40 CO 0.54 -1.31 0.02 -0.08 0.00 0.00 0.00 175.76 174.93 2eea s THR 41 N 2.83 0.98 0.15 0.00 -1.32 -1.26 -2.18 115.64 114.84 2eea s THR 41 Ca 0.05 -2.02 -0.00 0.00 -1.21 0.00 0.00 61.69 58.50 2eea s THR 41 Cb -0.11 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 2eea s THR 41 CO -0.15 -0.25 0.05 0.72 -2.21 0.00 0.00 174.62 172.79 2eea s PHE 42 N -3.45 0.98 0.01 9.09 -0.71 -1.17 -2.52 117.98 120.21 2eea s PHE 42 Ca 0.31 -1.20 0.05 0.00 -1.04 0.00 0.00 56.93 55.04 2eea s PHE 42 Cb 0.06 -0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2eea s PHE 42 CO 0.10 -0.46 -0.13 0.99 -1.34 0.00 0.00 175.22 174.37 2eea s THR 43 N -3.97 3.13 -0.03 -4.49 2.01 -0.93 -2.97 115.64 108.40 2eea s THR 43 Ca 0.26 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.34 2eea s THR 43 Cb 0.07 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 2eea s THR 43 CO 0.03 0.40 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.56 2eea s ILE 44 N -0.92 1.37 -0.21 1.82 1.01 -0.96 -2.72 121.20 120.59 2eea s ILE 44 Ca 0.15 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 2eea s ILE 44 Cb -0.11 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 2eea s ILE 44 CO 0.05 0.39 0.23 -0.69 0.00 0.00 0.00 174.94 174.93 2eea s VAL 45 N -0.15 5.32 -0.32 2.92 1.01 -1.22 -2.16 120.40 125.80 2eea s VAL 45 Ca 0.01 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.36 2eea s VAL 45 Cb -0.09 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.82 2eea s VAL 45 CO 0.01 0.34 0.07 -0.89 0.00 0.00 0.00 175.10 174.63 2eea s THR 46 N 0.93 1.53 0.00 3.92 2.01 -1.22 -4.22 115.64 118.59 2eea s THR 46 Ca 0.12 -1.82 0.00 0.00 0.31 0.00 0.00 61.69 60.29 2eea s THR 46 Cb -0.13 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.24 2eea s THR 46 CO 0.04 -0.62 0.00 -0.62 -0.69 0.00 0.00 174.62 172.73 2eea n GLU 47 N 4.57 2.81 0.00 4.92 -0.58 -1.26 -4.77 120.64 126.33 2eea n GLU 47 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2eea n GLU 47 Cb 0.42 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 2eea n GLU 47 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2eea n ASP 48 N -1.72 0.75 -0.35 1.62 5.68 -1.26 -4.82 116.55 116.44 2eea n ASP 48 Ca 0.00 -1.12 0.10 0.00 -0.50 0.00 0.00 54.79 53.26 2eea n ASP 48 Cb 0.33 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.52 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2eea h ALA 49 N 0.00 0.88 0.00 2.12 0.00 -1.86 -3.46 119.26 116.94 2eea h ALA 49 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2eea h ALA 49 Cb 0.29 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2eea h ALA 49 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.19 2eea n GLY 50 N -1.56 -1.94 3.20 0.00 0.00 -1.26 -4.70 105.19 98.93 2eea n GLY 50 Ca 0.19 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2eea n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eea s GLU 51 N 0.00 2.76 0.00 1.61 2.12 -1.26 -4.89 118.70 119.03 2eea s GLU 51 Ca 0.00 -2.17 0.00 0.00 0.36 0.00 0.00 54.97 53.16 2eea s GLU 51 Cb 0.00 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.41 2eea s GLU 51 CO 0.00 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.92 2eea n GLY 52 N 4.23 1.01 3.23 -1.50 0.00 -1.26 -5.15 105.19 105.75 2eea n GLY 52 Ca 0.02 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2eea n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eea s GLY 53 N -0.59 0.08 0.07 -0.02 0.00 -1.26 -4.97 107.32 100.64 2eea s GLY 53 Ca 0.00 3.39 -0.20 0.00 0.00 0.00 0.00 44.72 47.91 2eea s GLY 53 CO 0.00 3.45 0.60 -2.27 0.00 0.00 0.00 173.10 174.88 2eea s LEU 54 N 2.32 4.52 -0.04 0.66 2.96 -1.26 -2.19 118.68 125.64 2eea s LEU 54 Ca -0.01 1.29 -0.02 0.00 -0.22 0.00 0.00 54.13 55.17 2eea s LEU 54 Cb -0.04 -2.94 0.03 0.00 0.50 0.00 0.00 46.19 43.74 2eea s LEU 54 CO -0.15 0.24 0.05 -1.81 -1.32 0.00 0.00 176.35 173.36 2eea s ASP 55 N -0.98 1.13 -0.11 3.68 1.11 -0.69 -5.04 116.67 115.78 2eea s ASP 55 Ca 0.30 0.06 0.02 0.00 0.18 0.00 0.00 52.55 53.11 2eea s ASP 55 Cb -0.20 -0.18 0.01 0.00 1.07 0.00 0.00 42.92 43.63 2eea s ASP 55 CO 0.20 -0.23 -0.18 -0.76 1.18 0.00 0.00 175.17 175.37 2eea s LEU 56 N 2.07 1.87 -0.00 1.23 1.02 -1.26 -1.75 118.68 121.86 2eea s LEU 56 Ca 0.04 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.72 2eea s LEU 56 Cb -0.12 -1.20 -0.00 0.00 0.02 0.00 0.00 46.19 44.88 2eea s LEU 56 CO -0.03 0.06 -0.03 0.00 0.02 0.00 0.00 176.35 176.36 2eea s ALA 57 N 0.80 0.25 -0.04 4.21 0.00 -0.90 -5.05 121.76 121.03 2eea s ALA 57 Ca -0.10 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.74 2eea s ALA 57 Cb -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2eea s ALA 57 CO 0.01 0.05 -0.14 0.42 0.00 0.00 0.00 175.76 176.10 2eea s ILE 58 N -0.15 1.22 0.26 0.00 1.01 -1.26 -0.98 121.20 121.29 2eea s ILE 58 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.14 2eea s ILE 58 Cb -0.02 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 2eea s ILE 58 CO -0.00 0.36 -0.10 -1.61 0.00 0.00 0.00 174.94 173.59 2eea s GLU 59 N 0.14 1.50 0.00 2.79 2.02 -1.04 -4.84 118.70 119.27 2eea s GLU 59 Ca -0.05 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.22 2eea s GLU 59 Cb -0.11 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.91 2eea s GLU 59 CO 0.02 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.82 2eea n GLY 60 N -0.53 -0.51 0.13 -1.39 0.00 -1.26 -0.98 105.19 100.65 2eea n GLY 60 Ca -0.06 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.08 2eea n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 61 N 0.00 0.19 -4.10 1.61 -0.04 -1.26 -4.81 135.00 126.59 2eea n PRO 61 Ca 0.00 0.43 -0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2eea n PRO 61 Cb 0.00 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.51 2eea n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eea s SER 62 N -4.24 0.04 -0.43 3.54 0.15 -1.26 -5.05 113.70 106.45 2eea s SER 62 Ca 0.04 -1.16 -0.11 0.00 0.70 0.00 0.00 55.95 55.42 2eea s SER 62 Cb 0.09 0.49 0.08 0.00 -1.71 0.00 0.00 66.02 64.97 2eea s SER 62 CO 0.39 -1.00 0.30 -0.75 1.20 0.00 0.00 173.24 173.38 2eea s LYS 63 N -4.07 2.71 0.16 5.44 2.20 -1.26 -4.88 119.74 120.04 2eea s LYS 63 Ca 0.31 -1.43 -0.05 0.00 -0.36 0.00 0.00 55.97 54.43 2eea s LYS 63 Cb 0.03 -3.88 -0.06 0.00 -1.51 0.00 0.00 37.83 32.41 2eea s LYS 63 CO 0.11 -0.98 0.41 0.00 -0.36 0.00 0.00 175.35 174.53 2eea s ALA 64 N 1.49 3.75 0.58 3.13 0.00 -1.26 -4.95 121.76 124.50 2eea s ALA 64 Ca 0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 2eea s ALA 64 Cb -0.23 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 2eea s ALA 64 CO 0.03 0.64 1.00 -1.83 0.00 0.00 0.00 175.76 175.60 2eea s GLU 65 N -2.71 3.71 -0.06 0.00 -1.05 -1.26 -4.98 118.70 112.35 2eea s GLU 65 Ca 0.42 0.78 -0.01 0.00 -0.15 0.00 0.00 54.97 56.01 2eea s GLU 65 Cb -0.12 -2.12 0.03 0.00 -0.44 0.00 0.00 34.13 31.48 2eea s GLU 65 CO 0.24 -0.45 0.01 0.42 0.95 0.00 0.00 175.26 176.43 2eea s ILE 66 N -2.98 0.26 -0.23 1.83 1.01 -1.26 -4.25 121.20 115.59 2eea s ILE 66 Ca 0.56 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.41 2eea s ILE 66 Cb -0.11 -0.44 0.06 0.00 0.01 0.00 0.00 42.46 41.98 2eea s ILE 66 CO 0.46 0.24 -0.07 -0.44 0.00 0.00 0.00 174.94 175.13 2eea s SER 67 N 1.99 3.78 0.26 3.58 0.01 -0.94 -5.03 113.70 117.36 2eea s SER 67 Ca 0.05 -1.12 -0.03 0.00 1.31 0.00 0.00 55.95 56.16 2eea s SER 67 Cb -0.12 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 64.83 2eea s SER 67 CO -0.05 -0.21 0.50 0.00 0.41 0.00 0.00 173.24 173.90 2eea s ILE 69 N -2.02 0.09 0.22 0.00 1.01 -0.74 -4.98 121.20 114.78 2eea s ILE 69 Ca 0.42 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 2eea s ILE 69 Cb -0.11 -0.72 -0.07 0.00 0.01 0.00 0.00 42.46 41.57 2eea s ILE 69 CO 0.30 -0.43 0.58 -0.62 0.00 0.00 0.00 174.94 174.77 2eea s ASP 70 N -1.76 6.70 0.43 3.58 2.15 -1.26 -1.96 116.67 124.55 2eea s ASP 70 Ca -0.09 1.01 0.07 0.00 0.43 0.00 0.00 52.55 53.97 2eea s ASP 70 Cb -0.04 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2eea s ASP 70 CO -0.01 -0.05 0.24 0.20 -0.17 0.00 0.00 175.17 175.38 2eea s ASN 71 N -2.19 4.57 0.00 -0.34 0.01 -1.08 -4.91 114.94 111.00 2eea s ASN 71 Ca 0.46 -1.04 0.22 0.00 -0.71 0.00 0.00 52.86 51.79 2eea s ASN 71 Cb -0.12 -0.37 0.67 0.00 0.41 0.00 0.00 41.25 41.84 2eea s ASN 71 CO 0.20 -0.64 1.51 0.29 -1.51 0.00 0.00 177.10 176.96 2eea n LYS 72 N -1.36 1.92 0.00 -0.60 5.02 -1.26 -3.72 118.16 118.15 2eea n LYS 72 Ca -0.01 -1.37 0.04 0.00 -2.02 0.00 0.00 58.31 54.95 2eea n LYS 72 Cb 0.64 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 2eea n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2eea n ASP 73 N 0.61 0.76 0.00 4.39 9.92 -1.26 -4.99 116.55 125.98 2eea n ASP 73 Ca 0.17 -0.88 0.00 0.00 -0.53 0.00 0.00 54.79 53.55 2eea n ASP 73 Cb 0.40 0.76 0.00 0.00 -0.64 0.00 0.00 41.12 41.64 2eea n ASP 73 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2eea n GLY 74 N 1.06 1.30 3.61 0.44 0.00 -1.24 -5.01 105.19 105.35 2eea n GLY 74 Ca 0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2eea n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2eea n THR 75 N -1.83 0.00 -3.81 2.61 -2.24 -1.26 -3.41 114.28 104.34 2eea n THR 75 Ca 0.00 -2.12 -0.26 0.00 -2.27 0.00 0.00 64.05 59.40 2eea n THR 75 Cb 0.04 0.04 -0.17 0.00 -2.10 0.00 0.00 70.33 68.14 2eea n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2eea s THR 77 N 1.84 5.08 -0.44 0.00 2.01 -0.83 -2.26 115.64 121.05 2eea s THR 77 Ca 0.03 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 2eea s THR 77 Cb -0.14 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.45 2eea s THR 77 CO -0.07 -0.49 0.32 -0.69 -0.69 0.00 0.00 174.62 173.00 2eea s VAL 78 N 1.62 4.88 -0.07 3.82 1.01 -1.16 -1.80 120.40 128.70 2eea s VAL 78 Ca 0.04 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 2eea s VAL 78 Cb -0.23 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2eea s VAL 78 CO 0.07 -0.48 0.27 -0.89 0.00 0.00 0.00 175.10 174.07 2eea s THR 79 N 1.58 5.28 -0.08 3.92 2.01 -0.67 -3.03 115.64 124.65 2eea s THR 79 Ca 0.04 0.52 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 2eea s THR 79 Cb -0.23 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.77 2eea s THR 79 CO 0.06 0.57 0.44 -0.72 -0.69 0.00 0.00 174.62 174.28 2eea s TYR 80 N -0.87 -0.40 -0.18 4.92 -0.85 -0.93 -2.21 117.35 116.84 2eea s TYR 80 Ca 0.19 0.81 0.01 0.00 -0.52 0.00 0.00 57.07 57.56 2eea s TYR 80 Cb -0.14 0.19 0.02 0.00 0.38 0.00 0.00 41.96 42.40 2eea s TYR 80 CO 0.08 -0.37 -0.19 -1.17 -1.52 0.00 0.00 175.55 172.38 2eea s LEU 81 N -0.68 2.20 0.84 -3.49 2.96 -1.26 -2.50 118.68 116.76 2eea s LEU 81 Ca -0.08 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.10 2eea s LEU 81 Cb -0.03 -1.50 0.10 0.00 0.50 0.00 0.00 46.19 45.25 2eea s LEU 81 CO 0.04 0.01 1.09 -2.16 -1.32 0.00 0.00 176.35 174.01 2eea s PRO 82 N 1.24 1.71 -0.01 0.98 0.04 -1.26 -4.42 135.00 133.28 2eea s PRO 82 Ca 0.04 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.09 2eea s PRO 82 Cb -0.13 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2eea s PRO 82 CO -0.11 -1.97 0.06 0.25 0.04 0.00 0.00 177.00 175.27 2eea n THR 83 N -3.72 0.06 -3.74 1.26 -2.24 -1.26 -3.17 114.28 101.46 2eea n THR 83 Ca 0.08 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2eea n THR 83 Cb 0.54 0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 2eea n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2eea s LEU 84 N -3.50 0.69 -0.03 3.22 1.43 -1.26 -4.67 118.68 114.55 2eea s LEU 84 Ca -0.01 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 2eea s LEU 84 Cb 0.02 1.34 -0.05 0.00 0.03 0.00 0.00 46.19 47.53 2eea s LEU 84 CO 0.14 -0.37 1.48 -2.16 0.23 0.00 0.00 176.35 175.66 2eea s PRO 85 N -0.90 4.24 0.00 1.29 0.04 -1.26 -4.86 135.00 133.55 2eea s PRO 85 Ca -0.10 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2eea s PRO 85 Cb -0.04 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2eea s PRO 85 CO 0.04 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2eea n GLY 86 N 3.81 1.27 3.55 0.56 0.00 -1.24 -4.98 105.19 108.16 2eea n GLY 86 Ca 0.15 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2eea n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eea s ASP 87 N 0.00 5.20 -0.22 1.61 1.01 -1.26 -4.15 116.67 118.86 2eea s ASP 87 Ca 0.00 0.35 -0.29 0.00 0.71 0.00 0.00 52.55 53.32 2eea s ASP 87 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2eea s ASP 87 CO 0.00 -2.44 1.11 -0.31 0.21 0.00 0.00 175.17 173.74 2eea s TYR 88 N 9.37 3.17 -0.96 4.23 2.02 -1.22 -4.77 117.35 129.19 2eea s TYR 88 Ca 0.70 1.30 -0.24 0.00 -0.37 0.00 0.00 57.07 58.46 2eea s TYR 88 Cb -0.13 -3.39 0.05 0.00 -0.40 0.00 0.00 41.96 38.09 2eea s TYR 88 CO 0.20 -0.87 1.42 -1.12 -1.57 0.00 0.00 175.55 173.60 2eea s SER 89 N 1.50 6.43 -0.08 2.29 0.01 -0.15 -3.37 113.70 120.33 2eea s SER 89 Ca 0.47 -1.25 -0.30 0.00 1.31 0.00 0.00 55.95 56.19 2eea s SER 89 Cb -0.17 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 2eea s SER 89 CO 0.10 -1.58 1.02 -0.63 0.41 0.00 0.00 173.24 172.56 2eea s ILE 90 N 5.14 4.76 -0.25 1.44 1.01 -0.97 -2.50 121.20 129.82 2eea s ILE 90 Ca 0.44 2.01 0.02 0.00 0.00 0.00 0.00 60.65 63.12 2eea s ILE 90 Cb -0.02 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 38.22 2eea s ILE 90 CO -0.05 0.04 -0.08 -0.76 0.00 0.00 0.00 174.94 174.09 2eea s LEU 91 N 1.81 3.04 -0.19 2.97 1.43 -0.15 -1.83 118.68 125.76 2eea s LEU 91 Ca 0.50 -1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.25 2eea s LEU 91 Cb -0.19 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 2eea s LEU 91 CO 0.20 -0.22 -0.05 -0.69 0.23 0.00 0.00 176.35 175.83 2eea s VAL 92 N 1.25 3.54 0.01 -1.59 1.01 -1.26 -2.11 120.40 121.25 2eea s VAL 92 Ca -0.07 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2eea s VAL 92 Cb -0.19 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2eea s VAL 92 CO -0.06 0.46 -0.15 -0.54 0.00 0.00 0.00 175.10 174.81 2eea s LYS 93 N 0.93 1.14 -0.20 2.72 1.02 -0.72 -3.22 119.74 121.42 2eea s LYS 93 Ca -0.00 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.34 2eea s LYS 93 Cb -0.15 -1.13 0.06 0.00 -0.52 0.00 0.00 37.83 36.09 2eea s LYS 93 CO 0.01 0.30 0.03 -0.47 -0.92 0.00 0.00 175.35 174.29 2eea s TYR 94 N -0.52 1.19 -1.13 3.18 6.14 -0.79 -1.71 117.35 123.71 2eea s TYR 94 Ca 0.05 -0.97 -0.04 0.00 0.64 0.00 0.00 57.07 56.75 2eea s TYR 94 Cb -0.07 -1.10 0.00 0.00 0.42 0.00 0.00 41.96 41.22 2eea s TYR 94 CO 0.00 -0.63 0.97 -1.71 0.64 0.00 0.00 175.55 174.82 2eea n ASN 95 N 5.00 -4.00 -3.48 4.32 2.85 -0.93 -2.64 115.26 116.38 2eea n ASN 95 Ca -0.09 -0.51 -0.21 0.00 -0.11 0.00 0.00 54.58 53.65 2eea n ASN 95 Cb 0.47 -4.54 0.08 0.00 1.24 0.00 0.00 39.78 37.03 2eea n ASN 95 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2eea n ASP 96 N -2.68 -5.01 -3.35 1.20 8.00 -1.26 -5.00 116.55 108.46 2eea n ASP 96 Ca -0.12 -0.55 -0.07 0.00 0.71 0.00 0.00 54.79 54.76 2eea n ASP 96 Cb 0.60 -4.96 -0.07 0.00 -0.02 0.00 0.00 41.12 36.67 2eea n ASP 96 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2eea s LYS 97 N -6.00 0.38 0.36 -1.24 1.02 -1.08 -5.14 119.74 108.04 2eea s LYS 97 Ca 0.40 0.65 -0.28 0.00 0.02 0.00 0.00 55.97 56.76 2eea s LYS 97 Cb -0.18 -0.26 -0.11 0.00 -0.52 0.00 0.00 37.83 36.76 2eea s LYS 97 CO 0.71 -0.61 1.44 -1.01 -0.92 0.00 0.00 175.35 174.96 2eea s HIS 98 N 2.60 2.73 0.67 3.18 3.76 -1.26 -1.89 115.29 125.08 2eea s HIS 98 Ca 0.13 1.23 -0.13 0.00 -0.15 0.00 0.00 55.06 56.14 2eea s HIS 98 Cb -0.15 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.62 2eea s HIS 98 CO -0.16 -2.67 1.07 0.96 -0.85 0.00 0.00 174.74 173.09 2eea s ILE 99 N -1.08 3.70 -0.44 0.60 -4.36 -1.20 -4.94 121.20 113.49 2eea s ILE 99 Ca 0.52 0.67 -0.28 0.00 -0.26 0.00 0.00 60.65 61.30 2eea s ILE 99 Cb -0.44 -3.26 -0.01 0.00 1.25 0.00 0.00 42.46 39.99 2eea s ILE 99 CO 0.59 -0.61 1.76 -2.16 0.24 0.00 0.00 174.94 174.77 2eea s PRO 100 N -4.54 3.14 0.00 0.37 0.04 -1.26 -2.60 135.00 130.14 2eea s PRO 100 Ca 0.62 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2eea s PRO 100 Cb -0.16 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2eea s PRO 100 CO 0.47 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2eea n GLY 101 N 5.46 1.66 3.91 0.56 0.00 -1.26 -4.88 105.19 110.65 2eea n GLY 101 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2eea n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eea s SER 102 N -1.15 6.14 0.42 1.61 0.01 -1.07 -4.19 113.70 115.47 2eea s SER 102 Ca 0.00 0.81 -0.24 0.00 1.31 0.00 0.00 55.95 57.82 2eea s SER 102 Cb 0.00 -2.10 -0.08 0.00 0.21 0.00 0.00 66.02 64.05 2eea s SER 102 CO 0.00 -0.63 1.18 -2.16 0.41 0.00 0.00 173.24 172.04 2eea s PRO 103 N -4.72 3.93 0.43 12.44 0.04 -1.26 -4.92 135.00 140.94 2eea s PRO 103 Ca 0.48 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 63.33 2eea s PRO 103 Cb -0.10 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 2eea s PRO 103 CO 0.44 -0.42 0.69 -0.06 0.04 0.00 0.00 177.00 177.69 2eea s PHE 104 N -1.45 3.49 -0.10 0.56 0.08 -0.76 -4.94 117.98 114.85 2eea s PHE 104 Ca 0.59 0.57 -0.00 0.00 0.12 0.00 0.00 56.93 58.21 2eea s PHE 104 Cb -0.30 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.00 2eea s PHE 104 CO 0.38 -0.17 -0.06 0.99 -0.10 0.00 0.00 175.22 176.26 2eea s THR 105 N -2.58 0.86 -0.42 0.64 2.01 -1.26 -2.28 115.64 112.60 2eea s THR 105 Ca 0.45 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2eea s THR 105 Cb -0.10 -0.91 0.05 0.00 0.01 0.00 0.00 72.50 71.55 2eea s THR 105 CO 0.41 0.34 0.30 0.00 -0.69 0.00 0.00 174.62 174.98 2eea s ALA 106 N 1.70 3.43 -1.14 7.40 0.00 -1.18 -4.57 121.76 127.40 2eea s ALA 106 Ca 0.04 -1.91 -0.21 0.00 0.00 0.00 0.00 51.96 49.88 2eea s ALA 106 Cb -0.13 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.17 2eea s ALA 106 CO -0.07 -1.56 1.72 0.15 0.00 0.00 0.00 175.76 176.01 2eea s LYS 107 N 1.60 3.39 0.18 0.00 1.02 -0.81 -3.43 119.74 121.69 2eea s LYS 107 Ca 0.04 -1.35 -0.18 0.00 0.02 0.00 0.00 55.97 54.50 2eea s LYS 107 Cb -0.21 -5.36 -0.08 0.00 -0.52 0.00 0.00 37.83 31.66 2eea s LYS 107 CO 0.07 -2.73 0.64 0.42 -0.92 0.00 0.00 175.35 172.83 2eea s ILE 108 N 6.57 4.69 0.44 2.17 1.01 -1.26 -3.51 121.20 131.31 2eea s ILE 108 Ca 0.57 1.12 0.06 0.00 0.00 0.00 0.00 60.65 62.39 2eea s ILE 108 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2eea s ILE 108 CO 0.03 0.27 0.09 0.42 0.00 0.00 0.00 174.94 175.74 2eea s THR 109 N -1.45 1.90 0.38 2.92 -4.23 -0.96 -3.64 115.64 110.58 2eea s THR 109 Ca 0.39 -1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 2eea s THR 109 Cb -0.17 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.83 2eea s THR 109 CO 0.20 0.00 0.74 1.51 -0.54 0.00 0.00 174.62 176.53 2eea s ASP 110 N -3.84 6.55 -0.15 3.99 1.47 -1.26 -0.70 116.67 122.72 2eea s ASP 110 Ca 0.31 1.11 0.10 0.00 1.18 0.00 0.00 52.55 55.25 2eea s ASP 110 Cb 0.06 -2.31 -0.17 0.00 -0.34 0.00 0.00 42.92 40.16 2eea s ASP 110 CO 0.17 -0.35 0.00 -0.90 0.68 0.00 0.00 175.17 174.77 2eea n ASP 111 N -1.12 1.68 -4.44 2.11 5.75 -1.26 -4.82 116.55 114.45 2eea n ASP 111 Ca 0.02 -0.02 -0.44 0.00 -0.01 0.00 0.00 54.79 54.34 2eea n ASP 111 Cb 0.54 0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 41.20 2eea n ASP 111 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2eea s SER 112 N -5.00 6.46 -0.31 -1.12 0.01 -1.26 -5.00 113.70 107.47 2eea s SER 112 Ca -0.11 -1.73 -0.29 0.00 1.31 0.00 0.00 55.95 55.13 2eea s SER 112 Cb 0.05 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2eea s SER 112 CO 0.56 -1.14 1.27 -0.60 0.41 0.00 0.00 173.24 173.73 2eea s ARG 113 N 2.91 3.92 -0.20 12.44 6.06 -1.26 -4.90 118.95 137.92 2eea s ARG 113 Ca 0.26 1.18 -0.19 0.00 -2.50 0.00 0.00 55.73 54.48 2eea s ARG 113 Cb -0.11 -3.87 -0.16 0.00 0.06 0.00 0.00 34.95 30.87 2eea s ARG 113 CO -0.02 -1.12 0.13 0.54 -2.50 0.00 0.00 175.30 172.33 2eea n ARG 114 N 7.30 0.55 0.00 5.12 1.74 -1.26 -5.28 116.66 124.84 2eea n ARG 114 Ca 0.14 0.56 0.15 0.00 -0.77 0.00 0.00 57.85 57.93 2eea n ARG 114 Cb 0.47 -1.73 0.89 0.00 -1.02 0.00 0.00 32.46 31.07 2eea n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11