#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 5.79 -0.15 1.61 0.15 -1.26 -5.06 113.70 114.78 2eea s SER 2 Ca 0.00 -0.15 -0.12 0.00 0.70 0.00 0.00 55.95 56.38 2eea s SER 2 Cb 0.00 -1.53 -0.07 0.00 -1.71 0.00 0.00 66.02 62.71 2eea s SER 2 CO 0.00 -0.08 -0.26 -1.20 1.20 0.00 0.00 173.24 172.91 2eea n SER 3 N -1.28 1.57 0.00 5.45 7.64 -1.26 -5.14 113.62 120.61 2eea n SER 3 Ca -0.08 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2eea n SER 3 Cb 0.58 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2eea n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eea n GLY 4 N 1.87 -0.95 3.69 0.23 0.00 -1.26 -5.18 105.19 103.58 2eea n GLY 4 Ca -0.25 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.00 0.17 1.21 1.61 0.01 -1.26 -5.17 113.70 106.27 2eea s SER 5 Ca 0.00 -1.10 -0.18 0.00 1.31 0.00 0.00 55.95 55.99 2eea s SER 5 Cb 0.00 0.73 0.26 0.00 0.21 0.00 0.00 66.02 67.21 2eea s SER 5 CO 0.00 -1.41 0.56 -1.20 0.41 0.00 0.00 173.24 171.60 2eea n SER 6 N -1.02 -3.30 0.00 2.44 7.64 -1.26 -5.04 113.62 113.08 2eea n SER 6 Ca -0.04 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.31 2eea n SER 6 Cb 0.61 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2eea n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eea n GLY 7 N 2.09 0.43 3.77 0.23 0.00 -1.26 -5.11 105.19 105.33 2eea n GLY 7 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 4.07 -0.67 1.61 0.04 -1.26 -4.87 135.00 133.92 2eea s PRO 8 Ca 0.00 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 2eea s PRO 8 Cb 0.00 -2.72 -0.13 0.00 0.04 0.00 0.00 34.50 31.69 2eea s PRO 8 CO 0.00 -0.33 2.47 0.39 0.04 0.00 0.00 177.00 179.58 2eea n GLU 9 N 0.15 0.69 -1.32 4.56 -0.58 -1.26 -4.84 120.64 118.03 2eea n GLU 9 Ca 0.04 -0.10 -0.43 0.00 -0.42 0.00 0.00 57.16 56.24 2eea n GLU 9 Cb 0.46 -2.91 -0.01 0.00 -0.57 0.00 0.00 31.44 28.41 2eea n GLU 9 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2eea n SER 10 N 14.53 -2.53 -4.74 1.62 7.64 -1.26 -4.84 113.62 124.04 2eea n SER 10 Ca 0.46 0.88 -0.41 0.00 1.01 0.00 0.00 58.87 60.81 2eea n SER 10 Cb 0.39 -0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 62.67 2eea n SER 10 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2eea s PRO 11 N -1.00 4.40 -0.14 1.43 0.04 -1.26 -5.03 135.00 133.44 2eea s PRO 11 Ca 0.60 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.66 2eea s PRO 11 Cb -0.70 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.62 2eea s PRO 11 CO 0.61 -0.24 -0.03 -1.17 0.04 0.00 0.00 177.00 176.21 2eea s LEU 12 N -0.19 3.30 0.30 -3.56 2.96 -1.26 -5.10 118.68 115.13 2eea s LEU 12 Ca 0.56 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.34 2eea s LEU 12 Cb -0.36 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 2eea s LEU 12 CO 0.39 0.22 0.45 -1.10 -1.32 0.00 0.00 176.35 174.98 2eea s GLN 13 N 0.05 1.72 -0.03 1.98 -0.21 -1.26 -5.17 119.66 116.75 2eea s GLN 13 Ca 0.00 -1.57 0.02 0.00 0.02 0.00 0.00 55.36 53.83 2eea s GLN 13 Cb -0.13 0.44 -0.03 0.00 1.00 0.00 0.00 33.01 34.28 2eea s GLN 13 CO 0.03 -0.71 -0.06 -0.06 -2.12 0.00 0.00 175.29 172.37 2eea s PHE 14 N -3.47 2.95 0.97 0.91 0.08 -1.26 -5.11 117.98 113.05 2eea s PHE 14 Ca 0.28 0.01 -0.11 0.00 0.12 0.00 0.00 56.93 57.24 2eea s PHE 14 Cb 0.00 -1.67 0.18 0.00 -0.57 0.00 0.00 43.02 40.96 2eea s PHE 14 CO 0.15 0.37 1.12 0.71 -0.10 0.00 0.00 175.22 177.48 2eea s TYR 15 N -0.92 1.52 -0.07 0.36 2.02 -1.26 -5.00 117.35 114.00 2eea s TYR 15 Ca 0.15 1.68 -0.11 0.00 -0.37 0.00 0.00 57.07 58.43 2eea s TYR 15 Cb -0.11 -3.30 -0.05 0.00 -0.40 0.00 0.00 41.96 38.10 2eea s TYR 15 CO 0.05 -3.08 0.27 0.54 -1.57 0.00 0.00 175.55 171.76 2eea s VAL 16 N -2.60 5.29 0.38 0.71 0.11 -1.26 -5.10 120.40 117.94 2eea s VAL 16 Ca 0.67 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 2eea s VAL 16 Cb -0.23 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.04 2eea s VAL 16 CO 0.59 0.59 0.60 0.21 -3.33 0.00 0.00 175.10 173.76 2eea s ASN 17 N -0.95 6.17 0.05 3.54 2.47 -1.26 -5.12 114.94 119.85 2eea s ASN 17 Ca 0.19 0.44 0.03 0.00 0.42 0.00 0.00 52.86 53.94 2eea s ASN 17 Cb -0.14 -1.92 -0.03 0.00 -1.45 0.00 0.00 41.25 37.72 2eea s ASN 17 CO 0.08 -0.42 -0.10 -0.31 -3.72 0.00 0.00 177.10 172.63 2eea s TYR 18 N -2.41 0.90 -0.00 0.43 2.02 -1.26 -5.12 117.35 111.91 2eea s TYR 18 Ca 0.43 -0.47 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 2eea s TYR 18 Cb -0.10 -0.52 -0.06 0.00 -0.40 0.00 0.00 41.96 40.88 2eea s TYR 18 CO 0.37 -0.02 1.45 -1.25 -1.57 0.00 0.00 175.55 174.53 2eea s PRO 19 N -1.58 4.26 -0.02 -1.71 0.04 -1.26 -5.02 135.00 129.71 2eea s PRO 19 Ca -0.06 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.03 2eea s PRO 19 Cb -0.10 -3.62 -0.00 0.00 0.04 0.00 0.00 34.50 30.82 2eea s PRO 19 CO 0.01 -0.63 -0.10 -0.80 0.04 0.00 0.00 177.00 175.53 2eea s ASN 20 N 2.08 1.23 0.49 6.66 -0.87 -1.26 -5.16 114.94 118.11 2eea s ASN 20 Ca 0.66 -0.19 0.04 0.00 -1.57 0.00 0.00 52.86 51.80 2eea s ASN 20 Cb -0.32 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.25 40.66 2eea s ASN 20 CO 0.27 0.10 0.13 -0.94 -2.57 0.00 0.00 177.10 174.09 2eea s SER 21 N -0.03 4.27 0.00 -1.22 1.04 -1.26 -5.02 113.70 111.47 2eea s SER 21 Ca 0.00 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.01 2eea s SER 21 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2eea s SER 21 CO 0.00 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2eea n GLY 22 N -1.34 -0.83 3.49 7.32 0.00 -1.26 -5.13 105.19 107.44 2eea n GLY 22 Ca -0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 2eea n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eea s SER 23 N -4.00 0.42 -0.06 1.61 0.01 -1.26 -5.17 113.70 105.26 2eea s SER 23 Ca 0.00 -1.26 0.02 0.00 1.31 0.00 0.00 55.95 56.02 2eea s SER 23 Cb 0.00 0.60 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 2eea s SER 23 CO 0.00 -1.19 -0.09 -0.69 0.41 0.00 0.00 173.24 171.68 2eea s VAL 24 N -3.54 3.49 0.02 3.43 1.01 -1.26 -5.01 120.40 118.53 2eea s VAL 24 Ca 0.28 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2eea s VAL 24 Cb 0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2eea s VAL 24 CO 0.15 0.58 -0.08 -0.44 0.00 0.00 0.00 175.10 175.30 2eea s SER 25 N -0.84 0.98 -0.06 3.32 0.01 -1.26 -4.41 113.70 111.44 2eea s SER 25 Ca 0.12 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2eea s SER 25 Cb -0.11 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2eea s SER 25 CO 0.02 -0.01 -0.11 0.00 0.41 0.00 0.00 173.24 173.55 2eea s ALA 26 N -0.66 1.12 0.09 1.44 0.00 -1.26 -2.42 121.76 120.07 2eea s ALA 26 Ca -0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 2eea s ALA 26 Cb -0.06 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 2eea s ALA 26 CO 0.00 0.10 0.19 1.52 0.00 0.00 0.00 175.76 177.57 2eea s TYR 27 N 0.64 0.16 0.00 0.00 1.13 -1.06 -5.04 117.35 113.18 2eea s TYR 27 Ca -0.13 -0.59 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 2eea s TYR 27 Cb -0.15 -0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 2eea s TYR 27 CO 0.03 -0.55 0.00 0.41 -2.51 0.00 0.00 175.55 172.93 2eea n GLY 28 N -0.06 3.91 0.00 5.49 0.00 -1.26 -1.38 105.19 111.89 2eea n GLY 28 Ca -0.15 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.59 0.03 0.09 1.61 -0.04 -1.26 -2.50 135.00 131.33 2eea n PRO 29 Ca 0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2eea n PRO 29 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2eea n PRO 29 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2eea h GLY 30 N 2.46 0.00 0.78 0.55 0.00 -1.71 -3.15 103.07 101.99 2eea h GLY 30 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2eea h GLY 30 CO 0.00 0.00 -1.86 1.04 0.00 0.00 0.00 176.54 175.72 2eea n LEU 31 N -3.11 1.39 -0.17 3.11 4.77 -1.04 -4.22 117.00 117.73 2eea n LEU 31 Ca -0.03 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2eea n LEU 31 Cb 0.80 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2eea n LEU 31 CO 0.42 0.55 0.77 0.58 -1.33 0.00 0.00 177.39 178.38 2eea h VAL 32 N 0.02 1.27 -2.38 4.08 2.07 -1.65 -3.23 116.25 116.43 2eea h VAL 32 Ca -0.35 -1.17 0.21 0.00 0.82 0.00 0.00 66.70 66.21 2eea h VAL 32 Cb 2.03 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 2eea h VAL 32 CO 0.07 0.41 0.67 -0.72 0.02 0.00 0.00 177.57 178.02 2eea s TYR 33 N -4.91 0.04 0.22 1.57 -0.85 -1.19 -2.40 117.35 109.83 2eea s TYR 33 Ca -0.12 -0.36 -0.13 0.00 -0.52 0.00 0.00 57.07 55.94 2eea s TYR 33 Cb 0.12 0.66 0.05 0.00 0.38 0.00 0.00 41.96 43.17 2eea s TYR 33 CO 0.84 -0.74 0.65 0.41 -1.52 0.00 0.00 175.55 175.20 2eea n GLY 34 N -0.72 1.04 2.89 5.49 0.00 -1.14 -4.16 105.19 108.59 2eea n GLY 34 Ca -0.02 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.28 0.41 -0.31 1.61 1.01 -1.26 -2.43 120.40 117.14 2eea s VAL 35 Ca 0.14 -0.10 -0.44 0.00 0.00 0.00 0.00 61.98 61.58 2eea s VAL 35 Cb -0.03 -0.42 -0.19 0.00 0.00 0.00 0.00 36.38 35.74 2eea s VAL 35 CO 0.06 0.17 1.48 0.00 0.00 0.00 0.00 175.10 176.81 2eea n ALA 36 N 3.73 -1.72 -3.58 5.51 0.00 -1.04 0.16 120.51 123.58 2eea n ALA 36 Ca -0.22 0.51 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 2eea n ALA 36 Cb 0.53 -1.94 0.07 0.00 0.00 0.00 0.00 19.45 18.12 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 3.51 -4.11 -4.22 0.00 5.03 -0.26 -4.82 115.26 110.39 2eea n ASN 37 Ca 0.27 -0.62 -0.20 0.00 0.87 0.00 0.00 54.58 54.90 2eea n ASN 37 Cb 0.02 -4.87 -0.12 0.00 -1.02 0.00 0.00 39.78 33.79 2eea n ASN 37 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2eea s LYS 38 N -5.95 0.95 0.11 3.52 2.47 0.12 -4.99 119.74 115.97 2eea s LYS 38 Ca 0.32 -1.08 -0.31 0.00 -1.56 0.00 0.00 55.97 53.34 2eea s LYS 38 Cb -0.14 -1.00 -0.07 0.00 -1.46 0.00 0.00 37.83 35.15 2eea s LYS 38 CO 0.75 0.22 1.32 0.95 0.16 0.00 0.00 175.35 178.75 2eea s THR 39 N -1.45 3.48 -0.14 3.43 -4.23 -1.26 -4.22 115.64 111.24 2eea s THR 39 Ca 0.03 1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 61.57 2eea s THR 39 Cb -0.09 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.12 2eea s THR 39 CO 0.03 0.10 0.31 0.00 -0.54 0.00 0.00 174.62 174.51 2eea s ALA 40 N 0.92 -0.73 0.04 3.99 0.00 -1.18 -4.91 121.76 119.89 2eea s ALA 40 Ca 0.62 1.12 -0.08 0.00 0.00 0.00 0.00 51.96 53.61 2eea s ALA 40 Cb -0.35 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.74 2eea s ALA 40 CO 0.31 -0.57 0.15 -0.08 0.00 0.00 0.00 175.76 175.57 2eea s THR 41 N 2.22 0.12 0.30 0.00 -1.32 -1.26 -1.51 115.64 114.18 2eea s THR 41 Ca -0.02 -0.97 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 2eea s THR 41 Cb -0.11 -0.88 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 2eea s THR 41 CO -0.10 -0.53 0.10 0.72 -2.21 0.00 0.00 174.62 172.60 2eea s PHE 42 N -2.53 1.68 -0.02 9.09 -0.71 -1.17 -3.40 117.98 120.92 2eea s PHE 42 Ca -0.05 -1.16 0.05 0.00 -1.04 0.00 0.00 56.93 54.73 2eea s PHE 42 Cb -0.01 -1.02 -0.03 0.00 -1.21 0.00 0.00 43.02 40.75 2eea s PHE 42 CO -0.04 -0.26 -0.15 0.99 -1.34 0.00 0.00 175.22 174.41 2eea s THR 43 N -3.56 2.98 -0.06 -4.49 2.01 -0.48 -3.49 115.64 108.55 2eea s THR 43 Ca 0.36 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.55 2eea s THR 43 Cb 0.07 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 2eea s THR 43 CO 0.15 0.52 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.74 2eea s ILE 44 N -0.79 1.90 -0.53 1.82 1.01 -1.19 -2.57 121.20 120.84 2eea s ILE 44 Ca 0.13 -0.96 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 2eea s ILE 44 Cb -0.11 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2eea s ILE 44 CO 0.02 0.53 1.26 -0.69 0.00 0.00 0.00 174.94 176.06 2eea s VAL 45 N 0.02 3.99 -0.28 2.92 1.01 -1.02 -1.86 120.40 125.18 2eea s VAL 45 Ca -0.08 0.93 0.18 0.00 0.00 0.00 0.00 61.98 63.01 2eea s VAL 45 Cb -0.14 -4.57 0.49 0.00 0.00 0.00 0.00 36.38 32.15 2eea s VAL 45 CO 0.05 -1.16 1.11 0.35 0.00 0.00 0.00 175.10 175.45 2eea n THR 46 N 6.81 1.57 0.09 3.92 -2.24 -0.99 -4.45 114.28 118.99 2eea n THR 46 Ca 0.11 -3.32 -0.15 0.00 -2.27 0.00 0.00 64.05 58.42 2eea n THR 46 Cb 0.49 0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 69.15 2eea n THR 46 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2eea h GLU 47 N 2.56 0.23 -0.93 -0.78 4.81 -1.45 -3.36 114.58 115.67 2eea h GLU 47 Ca -0.00 -0.40 -0.51 0.00 -0.13 0.00 0.00 59.36 58.32 2eea h GLU 47 Cb 1.30 0.15 -0.42 0.00 0.63 0.00 0.00 28.75 30.41 2eea h GLU 47 CO 0.38 1.16 -0.86 -3.47 -0.73 0.00 0.00 179.01 175.49 2eea n ASP 48 N -3.49 4.20 -0.12 1.04 -0.08 -1.26 -4.77 116.55 112.08 2eea n ASP 48 Ca -0.09 -3.45 -0.25 0.00 -1.51 0.00 0.00 54.79 49.49 2eea n ASP 48 Cb 1.02 -0.40 -0.11 0.00 2.34 0.00 0.00 41.12 43.97 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2eea n ALA 49 N -0.59 1.19 0.00 -1.67 0.00 -1.26 -4.80 120.51 113.38 2eea n ALA 49 Ca 0.36 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2eea n ALA 49 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.21 2eea n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eea n GLY 50 N 1.65 0.92 3.56 0.00 0.00 -1.26 -4.79 105.19 105.26 2eea n GLY 50 Ca -0.47 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.33 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 -2.52 3.33 0.00 1.61 2.12 -1.26 -4.74 118.70 117.24 2eea s GLU 51 Ca 0.00 -0.97 0.00 0.00 0.36 0.00 0.00 54.97 54.36 2eea s GLU 51 Cb 0.00 -5.29 0.00 0.00 0.26 0.00 0.00 34.13 29.10 2eea s GLU 51 CO 0.00 -2.54 0.00 0.41 -0.54 0.00 0.00 175.26 172.59 2eea n GLY 52 N 6.77 0.71 3.19 -1.50 0.00 -1.26 -5.14 105.19 107.96 2eea n GLY 52 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.48 -0.15 -0.14 -0.02 0.00 -1.26 -5.00 107.32 100.27 2eea s GLY 53 Ca 0.00 3.06 -0.11 0.00 0.00 0.00 0.00 44.72 47.67 2eea s GLY 53 CO 0.00 3.69 0.23 -2.27 0.00 0.00 0.00 173.10 174.74 2eea s LEU 54 N 2.72 4.31 -0.03 0.66 2.96 -1.26 -1.38 118.68 126.66 2eea s LEU 54 Ca -0.03 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2eea s LEU 54 Cb -0.08 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 2eea s LEU 54 CO -0.12 0.24 -0.17 -1.81 -1.32 0.00 0.00 176.35 173.17 2eea s ASP 55 N -0.21 2.09 0.02 3.68 1.11 -0.89 -5.00 116.67 117.46 2eea s ASP 55 Ca 0.15 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.55 2eea s ASP 55 Cb -0.13 -0.46 -0.02 0.00 1.07 0.00 0.00 42.92 43.39 2eea s ASP 55 CO 0.04 0.17 -0.03 -0.76 1.18 0.00 0.00 175.17 175.77 2eea s LEU 56 N -0.11 2.23 -0.30 1.23 1.02 -1.26 -0.59 118.68 120.89 2eea s LEU 56 Ca -0.00 -0.47 -0.14 0.00 0.02 0.00 0.00 54.13 53.54 2eea s LEU 56 Cb -0.10 0.08 0.16 0.00 0.02 0.00 0.00 46.19 46.36 2eea s LEU 56 CO 0.01 -0.28 0.93 0.00 0.02 0.00 0.00 176.35 177.03 2eea s ALA 57 N -1.37 -2.62 -0.09 4.21 0.00 0.21 -4.98 121.76 117.12 2eea s ALA 57 Ca -0.15 2.07 -0.01 0.00 0.00 0.00 0.00 51.96 53.87 2eea s ALA 57 Cb -0.09 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 2eea s ALA 57 CO -0.01 -0.98 -0.04 0.42 0.00 0.00 0.00 175.76 175.15 2eea s ILE 58 N 2.56 3.97 0.26 0.00 1.01 -1.26 0.79 121.20 128.52 2eea s ILE 58 Ca -0.02 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2eea s ILE 58 Cb -0.07 -2.65 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 2eea s ILE 58 CO -0.18 0.59 -0.05 -1.61 0.00 0.00 0.00 174.94 173.69 2eea s GLU 59 N -0.68 1.48 0.00 2.79 2.02 0.83 -4.77 118.70 120.38 2eea s GLU 59 Ca 0.10 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.35 2eea s GLU 59 Cb -0.12 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.08 2eea s GLU 59 CO 0.02 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2eea n GLY 60 N -0.53 -0.50 0.11 -1.39 0.00 -1.26 0.72 105.19 102.34 2eea n GLY 60 Ca -0.06 -0.99 0.11 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 0.16 -3.74 1.61 -0.04 -1.26 -4.73 135.00 127.00 2eea n PRO 61 Ca 0.00 0.40 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2eea n PRO 61 Cb 0.00 -1.81 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 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 -4.02 -0.34 -0.60 3.54 0.15 -1.26 -5.00 113.70 106.16 2eea s SER 62 Ca 0.05 0.56 -0.27 0.00 0.70 0.00 0.00 55.95 56.98 2eea s SER 62 Cb 0.09 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 65.06 2eea s SER 62 CO 0.37 -0.24 1.15 -0.75 1.20 0.00 0.00 173.24 174.96 2eea s LYS 63 N -0.31 3.41 -0.17 5.44 2.20 -1.26 -4.91 119.74 124.15 2eea s LYS 63 Ca -0.04 0.03 -0.16 0.00 -0.36 0.00 0.00 55.97 55.44 2eea s LYS 63 Cb -0.03 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 2eea s LYS 63 CO 0.02 -1.72 0.38 0.00 -0.36 0.00 0.00 175.35 173.67 2eea s ALA 64 N 4.85 3.55 0.90 3.13 0.00 -1.26 -4.90 121.76 128.03 2eea s ALA 64 Ca 0.38 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 2eea s ALA 64 Cb -0.09 -2.55 0.14 0.00 0.00 0.00 0.00 23.12 20.61 2eea s ALA 64 CO 0.22 -0.09 1.10 -1.21 0.00 0.00 0.00 175.76 175.78 2eea s GLU 65 N 0.85 1.16 -0.04 0.00 2.02 -1.26 -4.90 118.70 116.53 2eea s GLU 65 Ca 0.20 1.19 -0.01 0.00 0.02 0.00 0.00 54.97 56.37 2eea s GLU 65 Cb -0.14 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.35 2eea s GLU 65 CO 0.07 -2.41 0.04 0.42 0.02 0.00 0.00 175.26 173.39 2eea s ILE 66 N -2.76 0.01 -1.06 -1.63 1.01 -1.26 -3.85 121.20 111.65 2eea s ILE 66 Ca 0.65 0.30 -0.05 0.00 0.00 0.00 0.00 60.65 61.54 2eea s ILE 66 Cb -0.20 -0.21 0.29 0.00 0.01 0.00 0.00 42.46 42.35 2eea s ILE 66 CO 0.58 0.17 1.26 -1.20 0.00 0.00 0.00 174.94 175.75 2eea n SER 67 N 4.91 5.82 -4.76 3.58 7.64 -0.32 -5.01 113.62 125.47 2eea n SER 67 Ca -0.12 -3.25 -0.39 0.00 1.01 0.00 0.00 58.87 56.12 2eea n SER 67 Cb 0.50 -1.27 0.01 0.00 -1.01 0.00 0.00 64.21 62.44 2eea n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eea s ILE 69 N -1.27 -0.10 -0.09 0.00 1.01 -0.56 -5.02 121.20 115.17 2eea s ILE 69 Ca 0.62 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.41 2eea s ILE 69 Cb -0.40 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 2eea s ILE 69 CO 0.50 0.10 0.26 -0.62 0.00 0.00 0.00 174.94 175.19 2eea s ASP 70 N 1.49 6.54 -0.00 3.58 -1.08 -1.26 -2.65 116.67 123.28 2eea s ASP 70 Ca -0.05 0.65 0.03 0.00 -0.52 0.00 0.00 52.55 52.65 2eea s ASP 70 Cb -0.12 -2.15 -0.03 0.00 -1.46 0.00 0.00 42.92 39.15 2eea s ASP 70 CO -0.05 0.32 0.10 0.59 0.52 0.00 0.00 175.17 176.65 2eea n ASN 71 N 2.24 1.49 -3.44 -0.34 3.02 -1.26 -5.01 115.26 111.96 2eea n ASN 71 Ca -0.16 -0.38 -0.19 0.00 -0.03 0.00 0.00 54.58 53.81 2eea n ASN 71 Cb 0.53 1.04 -0.05 0.00 -0.61 0.00 0.00 39.78 40.69 2eea n ASN 71 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2eea n LYS 72 N -1.23 -0.93 0.00 3.52 -0.00 -1.26 -4.62 118.16 113.63 2eea n LYS 72 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2eea n LYS 72 Cb 0.05 -2.17 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 2eea n LYS 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2eea n ASP 73 N -1.37 1.11 0.00 -5.58 -0.08 -1.26 -5.05 116.55 104.31 2eea n ASP 73 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2eea n ASP 73 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 2eea n ASP 73 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2eea n GLY 74 N 2.18 -0.32 3.38 0.27 0.00 -1.26 -4.93 105.19 104.51 2eea n GLY 74 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2eea n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eea s THR 75 N -1.70 0.41 0.30 2.61 -4.23 -1.26 -1.12 115.64 110.64 2eea s THR 75 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 2eea s THR 75 Cb 0.00 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.30 2eea s THR 75 CO 0.00 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 173.97 2eea s THR 77 N -2.49 1.30 -0.30 0.00 2.01 -1.09 -3.19 115.64 111.88 2eea s THR 77 Ca 0.31 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2eea s THR 77 Cb -0.03 -1.47 0.08 0.00 0.01 0.00 0.00 72.50 71.09 2eea s THR 77 CO 0.17 0.11 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.51 2eea s VAL 78 N 1.54 2.04 0.05 3.82 1.01 -1.23 -1.49 120.40 126.14 2eea s VAL 78 Ca -0.01 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 60.04 2eea s VAL 78 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2eea s VAL 78 CO -0.08 -0.40 0.10 -0.89 0.00 0.00 0.00 175.10 173.84 2eea s THR 79 N 1.07 4.75 -0.05 3.92 2.01 -1.25 -3.07 115.64 123.03 2eea s THR 79 Ca 0.04 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 2eea s THR 79 Cb -0.19 -3.26 0.04 0.00 0.01 0.00 0.00 72.50 69.10 2eea s THR 79 CO -0.08 0.19 0.48 -0.72 -0.69 0.00 0.00 174.62 173.79 2eea s TYR 80 N -1.36 -0.41 -0.22 4.92 -0.85 -0.57 -1.17 117.35 117.68 2eea s TYR 80 Ca 0.29 0.74 0.02 0.00 -0.52 0.00 0.00 57.07 57.60 2eea s TYR 80 Cb -0.12 0.23 0.04 0.00 0.38 0.00 0.00 41.96 42.49 2eea s TYR 80 CO 0.21 -0.46 -0.15 -1.17 -1.52 0.00 0.00 175.55 172.47 2eea s LEU 81 N -1.06 2.83 0.53 -3.49 2.96 -1.25 -3.08 118.68 116.12 2eea s LEU 81 Ca -0.11 -1.06 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 2eea s LEU 81 Cb -0.03 -1.50 -0.06 0.00 0.50 0.00 0.00 46.19 45.10 2eea s LEU 81 CO 0.06 -0.11 1.13 -2.16 -1.32 0.00 0.00 176.35 173.95 2eea s PRO 82 N 1.20 3.40 -0.20 0.98 0.04 -1.26 -4.32 135.00 134.84 2eea s PRO 82 Ca -0.03 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2eea s PRO 82 Cb -0.17 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 2eea s PRO 82 CO -0.09 -0.81 -0.19 2.41 0.04 0.00 0.00 177.00 178.37 2eea n THR 83 N -1.20 1.15 -4.48 1.26 -1.04 -1.26 -1.10 114.28 107.61 2eea n THR 83 Ca 0.11 -0.43 -0.20 0.00 -2.04 0.00 0.00 64.05 61.49 2eea n THR 83 Cb 0.51 -1.26 -0.15 0.00 -1.82 0.00 0.00 70.33 67.61 2eea n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2eea s LEU 84 N -6.26 2.06 0.12 -4.42 1.43 -1.26 -4.52 118.68 105.82 2eea s LEU 84 Ca -0.27 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.25 2eea s LEU 84 Cb 0.07 -0.60 -0.08 0.00 0.03 0.00 0.00 46.19 45.62 2eea s LEU 84 CO 0.45 0.12 1.36 -2.16 0.23 0.00 0.00 176.35 176.35 2eea s PRO 85 N -0.48 4.34 0.00 1.29 0.04 -1.26 -4.84 135.00 134.09 2eea s PRO 85 Ca 0.04 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2eea s PRO 85 Cb -0.05 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2eea s PRO 85 CO -0.00 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.05 2eea n GLY 86 N 3.35 2.74 3.67 0.56 0.00 -1.20 -4.98 105.19 109.33 2eea n GLY 86 Ca 0.11 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 2eea n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2eea n ASP 87 N 0.00 3.85 -4.52 1.61 5.75 -1.26 -4.32 116.55 117.66 2eea n ASP 87 Ca 0.00 0.93 -0.36 0.00 -0.01 0.00 0.00 54.79 55.34 2eea n ASP 87 Cb 0.00 -1.46 -0.12 0.00 -1.03 0.00 0.00 41.12 38.52 2eea n ASP 87 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2eea s TYR 88 N 4.35 3.15 -0.76 2.11 2.02 -1.23 -4.52 117.35 122.47 2eea s TYR 88 Ca 0.91 -0.20 -0.23 0.00 -0.37 0.00 0.00 57.07 57.18 2eea s TYR 88 Cb -0.55 -2.23 0.07 0.00 -0.40 0.00 0.00 41.96 38.85 2eea s TYR 88 CO 0.46 -0.20 1.12 -1.12 -1.57 0.00 0.00 175.55 174.24 2eea s SER 89 N 1.37 6.27 0.08 2.29 0.01 0.22 -3.60 113.70 120.33 2eea s SER 89 Ca 0.06 -1.06 -0.28 0.00 1.31 0.00 0.00 55.95 55.98 2eea s SER 89 Cb -0.15 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 2eea s SER 89 CO 0.05 -1.49 0.87 -0.63 0.41 0.00 0.00 173.24 172.44 2eea s ILE 90 N 4.38 4.62 -0.21 1.44 1.01 -0.88 -0.12 121.20 131.44 2eea s ILE 90 Ca 0.29 1.86 -0.01 0.00 0.00 0.00 0.00 60.65 62.79 2eea s ILE 90 Cb -0.11 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.20 2eea s ILE 90 CO 0.06 0.34 -0.02 -0.76 0.00 0.00 0.00 174.94 174.56 2eea s LEU 91 N -0.01 1.97 -0.15 2.97 1.43 0.24 -2.12 118.68 123.00 2eea s LEU 91 Ca 0.43 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2eea s LEU 91 Cb -0.22 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.08 2eea s LEU 91 CO 0.26 -0.26 -0.16 -0.69 0.23 0.00 0.00 176.35 175.74 2eea s VAL 92 N 1.59 1.70 0.47 -1.59 1.01 -1.26 0.64 120.40 122.95 2eea s VAL 92 Ca -0.04 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2eea s VAL 92 Cb -0.18 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2eea s VAL 92 CO -0.07 0.48 0.17 -0.54 0.00 0.00 0.00 175.10 175.14 2eea s LYS 93 N 1.37 2.20 -0.19 2.72 1.02 0.24 -2.82 119.74 124.28 2eea s LYS 93 Ca 0.03 -2.05 -0.05 0.00 0.02 0.00 0.00 55.97 53.93 2eea s LYS 93 Cb -0.13 -1.86 0.10 0.00 -0.52 0.00 0.00 37.83 35.41 2eea s LYS 93 CO -0.10 -0.28 0.34 -0.47 -0.92 0.00 0.00 175.35 173.92 2eea s TYR 94 N -2.72 -0.65 -1.65 3.18 5.04 0.39 -2.09 117.35 118.85 2eea s TYR 94 Ca 0.30 1.03 -0.14 0.00 -2.44 0.00 0.00 57.07 55.83 2eea s TYR 94 Cb 0.03 0.06 0.12 0.00 0.35 0.00 0.00 41.96 42.52 2eea s TYR 94 CO 0.17 -0.53 0.64 0.27 -1.34 0.00 0.00 175.55 174.76 2eea n ASN 95 N 5.37 -2.25 -1.46 4.32 6.94 -0.48 -0.22 115.26 127.48 2eea n ASN 95 Ca -0.06 -1.05 -0.08 0.00 -0.02 0.00 0.00 54.58 53.37 2eea n ASN 95 Cb 0.50 -2.64 0.02 0.00 -2.36 0.00 0.00 39.78 35.30 2eea n ASN 95 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2eea n ASP 96 N -2.73 -3.37 -3.66 0.53 2.03 -1.26 -5.04 116.55 103.05 2eea n ASP 96 Ca -0.03 -0.17 -0.07 0.00 0.52 0.00 0.00 54.79 55.05 2eea n ASP 96 Cb 0.54 -1.94 -0.08 0.00 -0.72 0.00 0.00 41.12 38.92 2eea n ASP 96 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2eea s LYS 97 N -5.38 0.41 0.40 -0.67 1.02 0.69 -5.15 119.74 111.06 2eea s LYS 97 Ca 0.18 1.13 -0.26 0.00 0.02 0.00 0.00 55.97 57.04 2eea s LYS 97 Cb -0.08 0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 37.57 2eea s LYS 97 CO 0.22 -0.22 1.27 -1.01 -0.92 0.00 0.00 175.35 174.69 2eea s HIS 98 N 2.51 2.91 0.49 3.18 3.76 -1.26 0.15 115.29 127.02 2eea s HIS 98 Ca -0.04 1.45 -0.18 0.00 -0.15 0.00 0.00 55.06 56.14 2eea s HIS 98 Cb -0.11 -3.60 -0.09 0.00 1.11 0.00 0.00 32.58 29.89 2eea s HIS 98 CO -0.15 -1.86 0.99 0.96 -0.85 0.00 0.00 174.74 173.83 2eea s ILE 99 N -1.29 4.32 -0.71 0.60 -4.36 -1.13 -4.85 121.20 113.79 2eea s ILE 99 Ca 0.56 1.26 -0.26 0.00 -0.26 0.00 0.00 60.65 61.96 2eea s ILE 99 Cb -0.36 -3.61 -0.03 0.00 1.25 0.00 0.00 42.46 39.71 2eea s ILE 99 CO 0.47 -0.49 1.89 -2.16 0.24 0.00 0.00 174.94 174.89 2eea s PRO 100 N -3.66 2.60 0.00 0.37 0.04 -1.26 -2.49 135.00 130.59 2eea s PRO 100 Ca 0.61 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2eea s PRO 100 Cb -0.11 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.82 2eea s PRO 100 CO 0.24 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2eea n GLY 101 N 6.09 0.51 3.83 0.56 0.00 -1.26 -4.89 105.19 110.02 2eea n GLY 101 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.09 5.47 0.41 1.61 0.01 -1.04 -4.01 113.70 116.06 2eea s SER 102 Ca 0.00 -0.31 -0.25 0.00 1.31 0.00 0.00 55.95 56.70 2eea s SER 102 Cb 0.00 -1.30 -0.08 0.00 0.21 0.00 0.00 66.02 64.85 2eea s SER 102 CO 0.00 -0.12 1.18 -2.16 0.41 0.00 0.00 173.24 172.56 2eea s PRO 103 N -3.88 3.99 0.54 12.44 0.04 -1.26 -4.90 135.00 141.96 2eea s PRO 103 Ca 0.35 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 2eea s PRO 103 Cb -0.07 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 2eea s PRO 103 CO 0.25 -0.38 0.86 -0.06 0.04 0.00 0.00 177.00 177.71 2eea s PHE 104 N -1.42 3.50 -0.18 0.56 0.08 -0.90 -4.86 117.98 114.76 2eea s PHE 104 Ca 0.58 0.86 -0.00 0.00 0.12 0.00 0.00 56.93 58.49 2eea s PHE 104 Cb -0.31 -2.49 0.04 0.00 -0.57 0.00 0.00 43.02 39.69 2eea s PHE 104 CO 0.39 -0.49 -0.05 0.99 -0.10 0.00 0.00 175.22 175.95 2eea s THR 105 N -2.89 1.18 -0.25 0.64 2.01 -1.26 -2.06 115.64 113.00 2eea s THR 105 Ca 0.50 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 2eea s THR 105 Cb -0.10 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2eea s THR 105 CO 0.47 0.09 0.14 0.00 -0.69 0.00 0.00 174.62 174.63 2eea s ALA 106 N 1.60 3.45 -0.85 7.40 0.00 -1.22 -4.70 121.76 127.44 2eea s ALA 106 Ca -0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.73 2eea s ALA 106 Cb -0.16 -2.28 0.08 0.00 0.00 0.00 0.00 23.12 20.76 2eea s ALA 106 CO -0.08 -0.37 1.16 0.21 0.00 0.00 0.00 175.76 176.69 2eea s LYS 107 N 1.40 3.40 -0.10 0.00 2.20 -1.01 -3.53 119.74 122.11 2eea s LYS 107 Ca 0.06 -1.18 -0.10 0.00 -0.36 0.00 0.00 55.97 54.39 2eea s LYS 107 Cb -0.15 -4.72 -0.05 0.00 -1.51 0.00 0.00 37.83 31.40 2eea s LYS 107 CO 0.06 -1.92 0.24 0.42 -0.36 0.00 0.00 175.35 173.79 2eea s ILE 108 N 3.92 5.33 0.51 5.43 1.01 -1.26 -2.90 121.20 133.24 2eea s ILE 108 Ca 0.33 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.46 2eea s ILE 108 Cb -0.08 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2eea s ILE 108 CO -0.01 0.56 0.30 0.28 0.00 0.00 0.00 174.94 176.07 2eea s THR 109 N -0.68 1.74 0.09 2.92 -1.32 -1.02 -3.27 115.64 114.10 2eea s THR 109 Ca 0.17 -1.60 -0.00 0.00 -1.21 0.00 0.00 61.69 59.05 2eea s THR 109 Cb -0.13 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 2eea s THR 109 CO 0.06 0.00 0.24 1.51 -2.21 0.00 0.00 174.62 174.22 2eea s ASP 110 N -4.14 6.37 0.00 8.08 -4.77 -1.26 -2.50 116.67 118.44 2eea s ASP 110 Ca 0.31 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.85 2eea s ASP 110 Cb -0.01 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 39.86 2eea s ASP 110 CO 0.19 0.13 0.00 -0.67 0.70 0.00 0.00 175.17 175.52 2eea n ASP 111 N 0.10 3.46 0.16 2.11 -0.08 -1.26 -4.82 116.55 116.22 2eea n ASP 111 Ca -0.05 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.07 2eea n ASP 111 Cb 0.52 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.89 2eea n ASP 111 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2eea h SER 112 N 0.00 -1.40 -4.93 1.67 0.87 -1.95 -3.46 113.55 104.34 2eea h SER 112 Ca 0.00 0.14 -0.29 0.00 -1.23 0.00 0.00 61.79 60.41 2eea h SER 112 Cb 0.93 0.50 0.13 0.00 -0.44 0.00 0.00 62.40 63.52 2eea h SER 112 CO 0.00 -0.54 -0.59 0.54 -0.53 0.00 0.00 176.83 175.71 2eea n ARG 113 N -5.22 -5.83 -0.12 2.24 1.74 -1.26 -4.93 116.66 103.28 2eea n ARG 113 Ca -0.09 0.68 -0.12 0.00 -0.77 0.00 0.00 57.85 57.55 2eea n ARG 113 Cb 0.39 -5.23 -0.03 0.00 -1.02 0.00 0.00 32.46 26.58 2eea n ARG 113 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2eea h ARG 114 N -1.82 0.69 0.00 5.56 0.11 -2.02 -3.55 114.38 113.35 2eea h ARG 114 Ca -0.47 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.33 2eea h ARG 114 Cb 1.28 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2eea h ARG 114 CO 0.42 0.88 0.00 0.00 0.10 0.00 0.00 179.97 181.37